USER MOD reduce.3.24.130724 H: found=0, std=0, add=1015, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1017 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 644 LYS NZ :NH3+ 154:sc= 0.458 (180deg=0.364) USER MOD Set 1.2: B 647 TYR OH : rot -115:sc= 0.881 USER MOD Set 2.1: A 188 THR OG1 : rot -150:sc= -1.32 USER MOD Set 2.2: B 663 ASN : amide:sc= -1.12 K(o=-2.4,f=-3.9!) USER MOD Set 3.1: A 177 GLN : amide:sc= -0.274 K(o=-0.19,f=-2!) USER MOD Set 3.2: A 215 THR OG1 : rot 160:sc= 0.084 USER MOD Set 4.1: A 159 THR OG1 : rot -110:sc= 0 USER MOD Set 4.2: A 163 MET CE :methyl 167:sc= -0.0843 (180deg=-0.425) USER MOD Set 4.3: A 164 MET CE :methyl 167:sc= 0 (180deg=0) USER MOD Single : A 142 SER OG : rot 180:sc= 0 USER MOD Single : A 143 GLN :FLIP amide:sc= 0 F(o=-1,f=0) USER MOD Single : A 144 LYS NZ :NH3+ 157:sc= 1.12 (180deg=0.99) USER MOD Single : A 150 SER OG : rot 180:sc= 0 USER MOD Single : A 155 ASN : amide:sc= -0.552 K(o=-0.55,f=-1.1) USER MOD Single : A 157 ASN : amide:sc= -2.97! C(o=-3!,f=-3.2!) USER MOD Single : A 158 MET CE :methyl 162:sc= -0.0991 (180deg=-0.511) USER MOD Single : A 160 THR OG1 : rot 180:sc= 0.00982 USER MOD Single : A 166 SER OG : rot 87:sc= 1.09 USER MOD Single : A 167 SER OG : rot 180:sc= 0 USER MOD Single : A 171 LYS NZ :NH3+ -127:sc= 0.335 (180deg=-0.441) USER MOD Single : A 172 LYS NZ :NH3+ 177:sc= -0.767 (180deg=-0.771) USER MOD Single : A 174 LYS NZ :NH3+ -113:sc= -0.433 (180deg=-2.28!) USER MOD Single : A 179 LYS NZ :NH3+ -113:sc= 0.961 (180deg=-0.337) USER MOD Single : A 182 GLN : amide:sc= -0.154 K(o=-0.15,f=-1.2) USER MOD Single : A 183 LYS NZ :NH3+ -148:sc= 1.08 (180deg=-0.638!) USER MOD Single : A 185 GLN : amide:sc= -2.22! C(o=-2.2!,f=-5.4!) USER MOD Single : A 191 HIS : no HD1:sc= -0.0598 X(o=-0.06,f=-0.06) USER MOD Single : A 197 SER OG : rot 180:sc= 0 USER MOD Single : A 202 CYS SG : rot -120:sc= -0.208 USER MOD Single : A 204 GLN : amide:sc= -1.1! C(o=-1.1!,f=-2.7!) USER MOD Single : A 206 SER OG : rot -120:sc= -1.02! USER MOD Single : A 209 THR OG1 : rot 77:sc= 0.862 USER MOD Single : A 216 ASN : amide:sc= -1.05 K(o=-1,f=-12!) USER MOD Single : A 219 CYS SG : rot -115:sc= 0.547 USER MOD Single : A 220 LYS NZ :NH3+ -163:sc= -0.068 (180deg=-0.389) USER MOD Single : B 633 THR OG1 : rot 28:sc= 0.819 USER MOD Single : B 640 SER OG : rot 14:sc= 0.819 USER MOD Single : B 646 GLN : amide:sc= -1.53 K(o=-1.5,f=-6.8!) USER MOD Single : B 656 GLN :FLIP amide:sc= -0.118 F(o=-1.7!,f=-0.12) USER MOD Single : B 657 LYS NZ :NH3+ -103:sc= 1.15 (180deg=-0.145) USER MOD Single : B 660 ASN : amide:sc= 1.2 K(o=1.2,f=-0.24) USER MOD Single : B 665 GLN : amide:sc= -0.0325 X(o=-0.032,f=-0.13) USER MOD ----------------------------------------------------------------- ATOM 44 N LEU A 141 -14.239 0.528 4.342 1.00 0.92 N ATOM 45 CA LEU A 141 -13.969 0.370 2.919 1.00 0.75 C ATOM 46 C LEU A 141 -15.251 0.512 2.113 1.00 0.70 C ATOM 47 O LEU A 141 -15.238 1.050 1.019 1.00 0.64 O ATOM 48 CB LEU A 141 -13.317 -0.982 2.611 1.00 0.82 C ATOM 49 CG LEU A 141 -11.933 -1.211 3.226 1.00 0.94 C ATOM 50 CD1 LEU A 141 -11.361 -2.533 2.746 1.00 1.05 C ATOM 51 CD2 LEU A 141 -10.984 -0.071 2.883 1.00 0.88 C ATOM 0 HA LEU A 141 -13.271 1.158 2.635 1.00 0.75 H new ATOM 0 HB2 LEU A 141 -13.983 -1.772 2.958 1.00 0.82 H new ATOM 0 HB3 LEU A 141 -13.235 -1.086 1.529 1.00 0.82 H new ATOM 0 HG LEU A 141 -12.044 -1.243 4.310 1.00 0.94 H new ATOM 0 HD11 LEU A 141 -10.377 -2.686 3.189 1.00 1.05 H new ATOM 0 HD12 LEU A 141 -12.023 -3.346 3.044 1.00 1.05 H new ATOM 0 HD13 LEU A 141 -11.271 -2.518 1.660 1.00 1.05 H new ATOM 0 HD21 LEU A 141 -10.010 -0.261 3.333 1.00 0.88 H new ATOM 0 HD22 LEU A 141 -10.876 -0.000 1.801 1.00 0.88 H new ATOM 0 HD23 LEU A 141 -11.386 0.866 3.270 1.00 0.88 H new ATOM 63 N SER A 142 -16.357 0.049 2.677 1.00 0.90 N ATOM 64 CA SER A 142 -17.635 0.039 1.970 1.00 0.97 C ATOM 65 C SER A 142 -18.017 1.432 1.472 1.00 0.95 C ATOM 66 O SER A 142 -18.493 1.579 0.347 1.00 1.05 O ATOM 67 CB SER A 142 -18.744 -0.512 2.875 1.00 1.21 C ATOM 68 OG SER A 142 -19.983 -0.606 2.184 1.00 1.82 O ATOM 0 H SER A 142 -16.398 -0.326 3.625 1.00 0.90 H new ATOM 0 HA SER A 142 -17.521 -0.610 1.102 1.00 0.97 H new ATOM 0 HB2 SER A 142 -18.457 -1.496 3.245 1.00 1.21 H new ATOM 0 HB3 SER A 142 -18.860 0.134 3.745 1.00 1.21 H new ATOM 0 HG SER A 142 -20.668 -0.962 2.788 1.00 1.82 H new ATOM 74 N GLN A 143 -17.824 2.449 2.306 1.00 0.98 N ATOM 75 CA GLN A 143 -18.235 3.801 1.949 1.00 1.10 C ATOM 76 C GLN A 143 -17.079 4.645 1.400 1.00 0.95 C ATOM 77 O GLN A 143 -17.301 5.562 0.611 1.00 1.02 O ATOM 78 CB GLN A 143 -18.871 4.499 3.155 1.00 1.41 C ATOM 79 CG GLN A 143 -17.926 4.721 4.327 1.00 1.32 C ATOM 80 CD GLN A 143 -18.605 5.388 5.509 1.00 1.79 C ATOM 81 OE1 GLN A 143 -19.618 6.197 5.237 1.00 2.41 O flip ATOM 82 NE2 GLN A 143 -18.224 5.172 6.659 1.00 2.29 N flip ATOM 0 H GLN A 143 -17.390 2.364 3.225 1.00 0.98 H new ATOM 0 HA GLN A 143 -18.971 3.708 1.150 1.00 1.10 H new ATOM 0 HB2 GLN A 143 -19.265 5.464 2.834 1.00 1.41 H new ATOM 0 HB3 GLN A 143 -19.719 3.906 3.496 1.00 1.41 H new ATOM 0 HG2 GLN A 143 -17.515 3.762 4.643 1.00 1.32 H new ATOM 0 HG3 GLN A 143 -17.087 5.336 4.001 1.00 1.32 H new ATOM 0 HE21 GLN A 143 -17.440 4.542 6.826 1.00 2.29 H new ATOM 0 HE22 GLN A 143 -18.693 5.623 7.445 1.00 2.29 H new ATOM 91 N LYS A 144 -15.854 4.345 1.816 1.00 0.84 N ATOM 92 CA LYS A 144 -14.716 5.212 1.505 1.00 0.83 C ATOM 93 C LYS A 144 -13.763 4.600 0.478 1.00 0.74 C ATOM 94 O LYS A 144 -13.040 5.325 -0.208 1.00 0.88 O ATOM 95 CB LYS A 144 -13.954 5.545 2.785 1.00 1.00 C ATOM 96 CG LYS A 144 -14.729 6.441 3.739 1.00 1.12 C ATOM 97 CD LYS A 144 -14.196 6.341 5.162 1.00 1.33 C ATOM 98 CE LYS A 144 -12.742 6.777 5.265 1.00 1.39 C ATOM 99 NZ LYS A 144 -12.575 8.241 5.089 1.00 1.56 N ATOM 0 H LYS A 144 -15.621 3.517 2.364 1.00 0.84 H new ATOM 0 HA LYS A 144 -15.121 6.121 1.060 1.00 0.83 H new ATOM 0 HB2 LYS A 144 -13.698 4.618 3.298 1.00 1.00 H new ATOM 0 HB3 LYS A 144 -13.015 6.033 2.523 1.00 1.00 H new ATOM 0 HG2 LYS A 144 -14.667 7.475 3.399 1.00 1.12 H new ATOM 0 HG3 LYS A 144 -15.783 6.163 3.725 1.00 1.12 H new ATOM 0 HD2 LYS A 144 -14.806 6.959 5.821 1.00 1.33 H new ATOM 0 HD3 LYS A 144 -14.291 5.313 5.512 1.00 1.33 H new ATOM 0 HE2 LYS A 144 -12.346 6.483 6.237 1.00 1.39 H new ATOM 0 HE3 LYS A 144 -12.155 6.254 4.510 1.00 1.39 H new ATOM 0 HZ1 LYS A 144 -11.686 8.545 5.536 1.00 1.56 H new ATOM 0 HZ2 LYS A 144 -12.548 8.468 4.074 1.00 1.56 H new ATOM 0 HZ3 LYS A 144 -13.374 8.737 5.533 1.00 1.56 H new ATOM 113 N PHE A 145 -13.753 3.279 0.372 1.00 0.66 N ATOM 114 CA PHE A 145 -12.846 2.591 -0.546 1.00 0.65 C ATOM 115 C PHE A 145 -13.570 1.443 -1.265 1.00 0.80 C ATOM 116 O PHE A 145 -13.117 0.299 -1.229 1.00 1.08 O ATOM 117 CB PHE A 145 -11.638 2.027 0.222 1.00 0.54 C ATOM 118 CG PHE A 145 -10.767 3.054 0.896 1.00 0.45 C ATOM 119 CD1 PHE A 145 -11.060 3.499 2.174 1.00 0.72 C ATOM 120 CD2 PHE A 145 -9.638 3.546 0.266 1.00 0.41 C ATOM 121 CE1 PHE A 145 -10.245 4.416 2.808 1.00 0.70 C ATOM 122 CE2 PHE A 145 -8.819 4.469 0.894 1.00 0.50 C ATOM 123 CZ PHE A 145 -9.124 4.901 2.168 1.00 0.51 C ATOM 0 H PHE A 145 -14.361 2.660 0.908 1.00 0.66 H new ATOM 0 HA PHE A 145 -12.502 3.314 -1.286 1.00 0.65 H new ATOM 0 HB2 PHE A 145 -12.002 1.331 0.978 1.00 0.54 H new ATOM 0 HB3 PHE A 145 -11.024 1.452 -0.471 1.00 0.54 H new ATOM 0 HD1 PHE A 145 -11.937 3.124 2.681 1.00 0.72 H new ATOM 0 HD2 PHE A 145 -9.392 3.206 -0.729 1.00 0.41 H new ATOM 0 HE1 PHE A 145 -10.486 4.753 3.805 1.00 0.70 H new ATOM 0 HE2 PHE A 145 -7.944 4.850 0.388 1.00 0.50 H new ATOM 0 HZ PHE A 145 -8.486 5.618 2.663 1.00 0.51 H new ATOM 133 N PRO A 146 -14.697 1.726 -1.945 1.00 0.95 N ATOM 134 CA PRO A 146 -15.574 0.687 -2.487 1.00 1.20 C ATOM 135 C PRO A 146 -15.098 0.133 -3.826 1.00 1.16 C ATOM 136 O PRO A 146 -15.744 -0.736 -4.412 1.00 1.34 O ATOM 137 CB PRO A 146 -16.921 1.407 -2.670 1.00 1.61 C ATOM 138 CG PRO A 146 -16.703 2.826 -2.239 1.00 1.75 C ATOM 139 CD PRO A 146 -15.219 3.057 -2.260 1.00 1.23 C ATOM 0 HA PRO A 146 -15.612 -0.177 -1.823 1.00 1.20 H new ATOM 0 HB2 PRO A 146 -17.247 1.362 -3.709 1.00 1.61 H new ATOM 0 HB3 PRO A 146 -17.699 0.934 -2.071 1.00 1.61 H new ATOM 0 HG2 PRO A 146 -17.212 3.518 -2.910 1.00 1.75 H new ATOM 0 HG3 PRO A 146 -17.107 2.994 -1.241 1.00 1.75 H new ATOM 0 HD2 PRO A 146 -14.875 3.410 -3.232 1.00 1.23 H new ATOM 0 HD3 PRO A 146 -14.912 3.800 -1.524 1.00 1.23 H new ATOM 147 N GLU A 147 -13.973 0.633 -4.308 1.00 1.10 N ATOM 148 CA GLU A 147 -13.463 0.233 -5.611 1.00 1.30 C ATOM 149 C GLU A 147 -12.026 -0.251 -5.525 1.00 1.02 C ATOM 150 O GLU A 147 -11.252 -0.113 -6.474 1.00 1.03 O ATOM 151 CB GLU A 147 -13.599 1.377 -6.617 1.00 1.64 C ATOM 152 CG GLU A 147 -13.174 2.735 -6.084 1.00 1.61 C ATOM 153 CD GLU A 147 -13.570 3.850 -7.026 1.00 1.74 C ATOM 154 OE1 GLU A 147 -12.796 4.159 -7.955 1.00 2.18 O ATOM 155 OE2 GLU A 147 -14.679 4.399 -6.862 1.00 1.73 O ATOM 0 H GLU A 147 -13.395 1.316 -3.818 1.00 1.10 H new ATOM 0 HA GLU A 147 -14.066 -0.605 -5.961 1.00 1.30 H new ATOM 0 HB2 GLU A 147 -13.002 1.143 -7.498 1.00 1.64 H new ATOM 0 HB3 GLU A 147 -14.637 1.437 -6.943 1.00 1.64 H new ATOM 0 HG2 GLU A 147 -13.630 2.903 -5.108 1.00 1.61 H new ATOM 0 HG3 GLU A 147 -12.094 2.748 -5.938 1.00 1.61 H new ATOM 162 N LEU A 148 -11.671 -0.799 -4.373 1.00 0.87 N ATOM 163 CA LEU A 148 -10.358 -1.400 -4.191 1.00 0.76 C ATOM 164 C LEU A 148 -10.161 -2.575 -5.143 1.00 0.97 C ATOM 165 O LEU A 148 -11.054 -3.406 -5.317 1.00 1.22 O ATOM 166 CB LEU A 148 -10.169 -1.871 -2.751 1.00 0.71 C ATOM 167 CG LEU A 148 -10.133 -0.763 -1.699 1.00 0.56 C ATOM 168 CD1 LEU A 148 -9.964 -1.359 -0.313 1.00 0.62 C ATOM 169 CD2 LEU A 148 -9.012 0.225 -2.003 1.00 0.54 C ATOM 0 H LEU A 148 -12.273 -0.840 -3.551 1.00 0.87 H new ATOM 0 HA LEU A 148 -9.613 -0.636 -4.413 1.00 0.76 H new ATOM 0 HB2 LEU A 148 -10.977 -2.559 -2.502 1.00 0.71 H new ATOM 0 HB3 LEU A 148 -9.239 -2.437 -2.691 1.00 0.71 H new ATOM 0 HG LEU A 148 -11.079 -0.223 -1.728 1.00 0.56 H new ATOM 0 HD11 LEU A 148 -9.940 -0.559 0.427 1.00 0.62 H new ATOM 0 HD12 LEU A 148 -10.799 -2.026 -0.099 1.00 0.62 H new ATOM 0 HD13 LEU A 148 -9.031 -1.921 -0.270 1.00 0.62 H new ATOM 0 HD21 LEU A 148 -9.001 1.007 -1.244 1.00 0.54 H new ATOM 0 HD22 LEU A 148 -8.055 -0.298 -2.000 1.00 0.54 H new ATOM 0 HD23 LEU A 148 -9.177 0.673 -2.983 1.00 0.54 H new ATOM 181 N PRO A 149 -8.982 -2.643 -5.776 1.00 0.92 N ATOM 182 CA PRO A 149 -8.642 -3.699 -6.724 1.00 1.11 C ATOM 183 C PRO A 149 -8.271 -4.994 -6.013 1.00 1.19 C ATOM 184 O PRO A 149 -7.706 -4.974 -4.919 1.00 1.14 O ATOM 185 CB PRO A 149 -7.436 -3.125 -7.484 1.00 1.17 C ATOM 186 CG PRO A 149 -7.254 -1.729 -6.980 1.00 0.92 C ATOM 187 CD PRO A 149 -7.880 -1.696 -5.621 1.00 0.74 C ATOM 0 HA PRO A 149 -9.476 -3.958 -7.376 1.00 1.11 H new ATOM 0 HB2 PRO A 149 -6.542 -3.723 -7.306 1.00 1.17 H new ATOM 0 HB3 PRO A 149 -7.614 -3.131 -8.559 1.00 1.17 H new ATOM 0 HG2 PRO A 149 -6.197 -1.467 -6.929 1.00 0.92 H new ATOM 0 HG3 PRO A 149 -7.729 -1.009 -7.646 1.00 0.92 H new ATOM 0 HD2 PRO A 149 -7.183 -2.004 -4.842 1.00 0.74 H new ATOM 0 HD3 PRO A 149 -8.232 -0.699 -5.357 1.00 0.74 H new ATOM 195 N SER A 150 -8.583 -6.116 -6.647 1.00 1.35 N ATOM 196 CA SER A 150 -8.456 -7.411 -6.000 1.00 1.45 C ATOM 197 C SER A 150 -7.051 -7.995 -6.125 1.00 1.42 C ATOM 198 O SER A 150 -6.605 -8.741 -5.254 1.00 1.56 O ATOM 199 CB SER A 150 -9.469 -8.384 -6.589 1.00 1.60 C ATOM 200 OG SER A 150 -10.761 -7.806 -6.630 1.00 2.32 O ATOM 0 H SER A 150 -8.925 -6.154 -7.607 1.00 1.35 H new ATOM 0 HA SER A 150 -8.651 -7.260 -4.938 1.00 1.45 H new ATOM 0 HB2 SER A 150 -9.162 -8.670 -7.595 1.00 1.60 H new ATOM 0 HB3 SER A 150 -9.493 -9.296 -5.992 1.00 1.60 H new ATOM 0 HG SER A 150 -11.395 -8.448 -7.013 1.00 2.32 H new ATOM 206 N GLY A 151 -6.357 -7.670 -7.211 1.00 1.29 N ATOM 207 CA GLY A 151 -5.037 -8.226 -7.428 1.00 1.28 C ATOM 208 C GLY A 151 -5.048 -9.350 -8.447 1.00 1.24 C ATOM 209 O GLY A 151 -6.040 -9.548 -9.154 1.00 1.36 O ATOM 0 H GLY A 151 -6.684 -7.035 -7.940 1.00 1.29 H new ATOM 0 HA2 GLY A 151 -4.364 -7.438 -7.766 1.00 1.28 H new ATOM 0 HA3 GLY A 151 -4.642 -8.599 -6.483 1.00 1.28 H new ATOM 213 N ILE A 152 -3.947 -10.080 -8.527 1.00 1.15 N ATOM 214 CA ILE A 152 -3.811 -11.183 -9.475 1.00 1.16 C ATOM 215 C ILE A 152 -3.742 -12.526 -8.747 1.00 1.24 C ATOM 216 O ILE A 152 -3.933 -12.602 -7.528 1.00 1.30 O ATOM 217 CB ILE A 152 -2.524 -11.027 -10.312 1.00 1.08 C ATOM 218 CG1 ILE A 152 -1.299 -11.147 -9.395 1.00 1.05 C ATOM 219 CG2 ILE A 152 -2.527 -9.694 -11.050 1.00 1.06 C ATOM 220 CD1 ILE A 152 0.035 -11.106 -10.108 1.00 1.00 C ATOM 0 H ILE A 152 -3.125 -9.929 -7.942 1.00 1.15 H new ATOM 0 HA ILE A 152 -4.686 -11.158 -10.124 1.00 1.16 H new ATOM 0 HB ILE A 152 -2.481 -11.820 -11.059 1.00 1.08 H new ATOM 0 HG12 ILE A 152 -1.329 -10.339 -8.664 1.00 1.05 H new ATOM 0 HG13 ILE A 152 -1.369 -12.082 -8.839 1.00 1.05 H new ATOM 0 HG21 ILE A 152 -1.612 -9.600 -11.635 1.00 1.06 H new ATOM 0 HG22 ILE A 152 -3.390 -9.648 -11.715 1.00 1.06 H new ATOM 0 HG23 ILE A 152 -2.581 -8.879 -10.328 1.00 1.06 H new ATOM 0 HD11 ILE A 152 0.840 -11.198 -9.379 1.00 1.00 H new ATOM 0 HD12 ILE A 152 0.093 -11.931 -10.818 1.00 1.00 H new ATOM 0 HD13 ILE A 152 0.134 -10.160 -10.641 1.00 1.00 H new ATOM 232 N ASP A 153 -3.464 -13.583 -9.499 1.00 1.33 N ATOM 233 CA ASP A 153 -3.183 -14.883 -8.910 1.00 1.40 C ATOM 234 C ASP A 153 -1.809 -15.342 -9.373 1.00 1.38 C ATOM 235 O ASP A 153 -1.338 -14.918 -10.428 1.00 1.40 O ATOM 236 CB ASP A 153 -4.245 -15.912 -9.284 1.00 1.56 C ATOM 237 CG ASP A 153 -4.529 -16.853 -8.132 1.00 2.38 C ATOM 238 OD1 ASP A 153 -3.566 -17.397 -7.557 1.00 3.20 O ATOM 239 OD2 ASP A 153 -5.711 -17.101 -7.830 1.00 2.83 O ATOM 0 H ASP A 153 -3.427 -13.564 -10.518 1.00 1.33 H new ATOM 0 HA ASP A 153 -3.199 -14.789 -7.824 1.00 1.40 H new ATOM 0 HB2 ASP A 153 -5.163 -15.401 -9.574 1.00 1.56 H new ATOM 0 HB3 ASP A 153 -3.911 -16.484 -10.150 1.00 1.56 H new ATOM 244 N VAL A 154 -1.168 -16.200 -8.593 1.00 1.41 N ATOM 245 CA VAL A 154 0.237 -16.514 -8.810 1.00 1.39 C ATOM 246 C VAL A 154 0.476 -18.010 -8.650 1.00 1.51 C ATOM 247 O VAL A 154 0.132 -18.592 -7.621 1.00 1.60 O ATOM 248 CB VAL A 154 1.142 -15.745 -7.811 1.00 1.31 C ATOM 249 CG1 VAL A 154 2.577 -15.674 -8.311 1.00 1.31 C ATOM 250 CG2 VAL A 154 0.610 -14.346 -7.551 1.00 1.18 C ATOM 0 H VAL A 154 -1.596 -16.690 -7.807 1.00 1.41 H new ATOM 0 HA VAL A 154 0.491 -16.208 -9.825 1.00 1.39 H new ATOM 0 HB VAL A 154 1.130 -16.298 -6.872 1.00 1.31 H new ATOM 0 HG11 VAL A 154 3.187 -15.129 -7.590 1.00 1.31 H new ATOM 0 HG12 VAL A 154 2.971 -16.683 -8.431 1.00 1.31 H new ATOM 0 HG13 VAL A 154 2.603 -15.158 -9.271 1.00 1.31 H new ATOM 0 HG21 VAL A 154 1.265 -13.832 -6.847 1.00 1.18 H new ATOM 0 HG22 VAL A 154 0.576 -13.790 -8.488 1.00 1.18 H new ATOM 0 HG23 VAL A 154 -0.394 -14.411 -7.131 1.00 1.18 H new ATOM 260 N ASN A 155 1.035 -18.632 -9.680 1.00 1.59 N ATOM 261 CA ASN A 155 1.388 -20.043 -9.622 1.00 1.69 C ATOM 262 C ASN A 155 2.602 -20.253 -8.713 1.00 1.65 C ATOM 263 O ASN A 155 3.740 -20.401 -9.166 1.00 1.66 O ATOM 264 CB ASN A 155 1.630 -20.581 -11.039 1.00 1.79 C ATOM 265 CG ASN A 155 2.624 -19.755 -11.846 1.00 2.07 C ATOM 266 OD1 ASN A 155 2.261 -18.748 -12.450 1.00 2.69 O ATOM 267 ND2 ASN A 155 3.874 -20.191 -11.892 1.00 2.17 N ATOM 0 H ASN A 155 1.254 -18.179 -10.568 1.00 1.59 H new ATOM 0 HA ASN A 155 0.560 -20.606 -9.190 1.00 1.69 H new ATOM 0 HB2 ASN A 155 1.993 -21.606 -10.972 1.00 1.79 H new ATOM 0 HB3 ASN A 155 0.680 -20.614 -11.573 1.00 1.79 H new ATOM 0 HD21 ASN A 155 4.570 -19.687 -12.441 1.00 2.17 H new ATOM 0 HD22 ASN A 155 4.140 -21.031 -11.378 1.00 2.17 H new ATOM 274 N ILE A 156 2.335 -20.292 -7.415 1.00 1.64 N ATOM 275 CA ILE A 156 3.383 -20.329 -6.402 1.00 1.62 C ATOM 276 C ILE A 156 3.966 -21.727 -6.213 1.00 1.69 C ATOM 277 O ILE A 156 4.477 -22.061 -5.143 1.00 1.73 O ATOM 278 CB ILE A 156 2.855 -19.782 -5.059 1.00 1.63 C ATOM 279 CG1 ILE A 156 1.612 -20.560 -4.602 1.00 1.74 C ATOM 280 CG2 ILE A 156 2.541 -18.301 -5.206 1.00 1.51 C ATOM 281 CD1 ILE A 156 0.984 -20.016 -3.332 1.00 1.80 C ATOM 0 H ILE A 156 1.389 -20.299 -7.034 1.00 1.64 H new ATOM 0 HA ILE A 156 4.192 -19.691 -6.758 1.00 1.62 H new ATOM 0 HB ILE A 156 3.623 -19.910 -4.296 1.00 1.63 H new ATOM 0 HG12 ILE A 156 0.870 -20.543 -5.400 1.00 1.74 H new ATOM 0 HG13 ILE A 156 1.885 -21.603 -4.444 1.00 1.74 H new ATOM 0 HG21 ILE A 156 2.168 -17.912 -4.258 1.00 1.51 H new ATOM 0 HG22 ILE A 156 3.446 -17.763 -5.487 1.00 1.51 H new ATOM 0 HG23 ILE A 156 1.783 -18.165 -5.978 1.00 1.51 H new ATOM 0 HD11 ILE A 156 0.112 -20.616 -3.071 1.00 1.80 H new ATOM 0 HD12 ILE A 156 1.710 -20.059 -2.520 1.00 1.80 H new ATOM 0 HD13 ILE A 156 0.678 -18.982 -3.491 1.00 1.80 H new ATOM 293 N ASN A 157 3.893 -22.533 -7.262 1.00 1.73 N ATOM 294 CA ASN A 157 4.497 -23.858 -7.268 1.00 1.77 C ATOM 295 C ASN A 157 5.861 -23.817 -7.948 1.00 1.79 C ATOM 296 O ASN A 157 6.637 -24.767 -7.870 1.00 1.77 O ATOM 297 CB ASN A 157 3.580 -24.857 -7.984 1.00 1.92 C ATOM 298 CG ASN A 157 3.203 -24.413 -9.388 1.00 2.12 C ATOM 299 OD1 ASN A 157 2.251 -23.654 -9.575 1.00 2.43 O ATOM 300 ND2 ASN A 157 3.938 -24.883 -10.379 1.00 2.67 N ATOM 0 H ASN A 157 3.416 -22.289 -8.130 1.00 1.73 H new ATOM 0 HA ASN A 157 4.631 -24.182 -6.236 1.00 1.77 H new ATOM 0 HB2 ASN A 157 4.077 -25.826 -8.036 1.00 1.92 H new ATOM 0 HB3 ASN A 157 2.673 -24.995 -7.396 1.00 1.92 H new ATOM 0 HD21 ASN A 157 3.725 -24.619 -11.341 1.00 2.67 H new ATOM 0 HD22 ASN A 157 4.718 -25.510 -10.182 1.00 2.67 H new ATOM 307 N MET A 158 6.145 -22.707 -8.624 1.00 1.90 N ATOM 308 CA MET A 158 7.420 -22.525 -9.316 1.00 2.03 C ATOM 309 C MET A 158 8.040 -21.185 -8.956 1.00 2.06 C ATOM 310 O MET A 158 9.256 -21.008 -9.009 1.00 2.54 O ATOM 311 CB MET A 158 7.231 -22.595 -10.834 1.00 2.22 C ATOM 312 CG MET A 158 6.848 -23.969 -11.351 1.00 2.49 C ATOM 313 SD MET A 158 6.539 -23.977 -13.128 1.00 2.73 S ATOM 314 CE MET A 158 8.158 -23.538 -13.757 1.00 3.33 C ATOM 0 H MET A 158 5.507 -21.916 -8.708 1.00 1.90 H new ATOM 0 HA MET A 158 8.084 -23.329 -8.998 1.00 2.03 H new ATOM 0 HB2 MET A 158 6.460 -21.882 -11.126 1.00 2.22 H new ATOM 0 HB3 MET A 158 8.156 -22.282 -11.319 1.00 2.22 H new ATOM 0 HG2 MET A 158 7.646 -24.675 -11.121 1.00 2.49 H new ATOM 0 HG3 MET A 158 5.956 -24.314 -10.829 1.00 2.49 H new ATOM 0 HE1 MET A 158 8.224 -23.807 -14.811 1.00 3.33 H new ATOM 0 HE2 MET A 158 8.313 -22.465 -13.646 1.00 3.33 H new ATOM 0 HE3 MET A 158 8.924 -24.075 -13.197 1.00 3.33 H new ATOM 324 N THR A 159 7.193 -20.235 -8.607 1.00 1.70 N ATOM 325 CA THR A 159 7.643 -18.898 -8.278 1.00 1.67 C ATOM 326 C THR A 159 6.924 -18.396 -7.028 1.00 1.55 C ATOM 327 O THR A 159 5.745 -18.683 -6.828 1.00 1.48 O ATOM 328 CB THR A 159 7.384 -17.944 -9.465 1.00 1.68 C ATOM 329 OG1 THR A 159 7.740 -16.600 -9.125 1.00 1.80 O ATOM 330 CG2 THR A 159 5.925 -17.998 -9.906 1.00 1.69 C ATOM 0 H THR A 159 6.184 -20.367 -8.544 1.00 1.70 H new ATOM 0 HA THR A 159 8.714 -18.924 -8.078 1.00 1.67 H new ATOM 0 HB THR A 159 8.009 -18.275 -10.294 1.00 1.68 H new ATOM 0 HG1 THR A 159 6.928 -16.056 -9.048 1.00 1.80 H new ATOM 0 HG21 THR A 159 5.772 -17.316 -10.743 1.00 1.69 H new ATOM 0 HG22 THR A 159 5.676 -19.013 -10.215 1.00 1.69 H new ATOM 0 HG23 THR A 159 5.283 -17.703 -9.076 1.00 1.69 H new ATOM 338 N THR A 160 7.635 -17.676 -6.175 1.00 1.57 N ATOM 339 CA THR A 160 7.039 -17.149 -4.963 1.00 1.48 C ATOM 340 C THR A 160 6.446 -15.769 -5.206 1.00 1.30 C ATOM 341 O THR A 160 6.956 -15.004 -6.031 1.00 1.25 O ATOM 342 CB THR A 160 8.066 -17.072 -3.821 1.00 1.57 C ATOM 343 OG1 THR A 160 9.276 -16.463 -4.295 1.00 1.57 O ATOM 344 CG2 THR A 160 8.360 -18.460 -3.271 1.00 1.87 C ATOM 0 H THR A 160 8.621 -17.445 -6.300 1.00 1.57 H new ATOM 0 HA THR A 160 6.243 -17.834 -4.671 1.00 1.48 H new ATOM 0 HB THR A 160 7.650 -16.464 -3.017 1.00 1.57 H new ATOM 0 HG1 THR A 160 9.926 -16.415 -3.563 1.00 1.57 H new ATOM 0 HG21 THR A 160 9.089 -18.385 -2.464 1.00 1.87 H new ATOM 0 HG22 THR A 160 7.440 -18.902 -2.889 1.00 1.87 H new ATOM 0 HG23 THR A 160 8.762 -19.089 -4.066 1.00 1.87 H new ATOM 352 N PRO A 161 5.367 -15.419 -4.490 1.00 1.25 N ATOM 353 CA PRO A 161 4.697 -14.133 -4.666 1.00 1.10 C ATOM 354 C PRO A 161 5.640 -12.977 -4.382 1.00 1.04 C ATOM 355 O PRO A 161 5.706 -12.020 -5.148 1.00 0.96 O ATOM 356 CB PRO A 161 3.562 -14.162 -3.638 1.00 1.13 C ATOM 357 CG PRO A 161 3.380 -15.599 -3.299 1.00 1.37 C ATOM 358 CD PRO A 161 4.728 -16.237 -3.449 1.00 1.35 C ATOM 0 HA PRO A 161 4.344 -13.989 -5.687 1.00 1.10 H new ATOM 0 HB2 PRO A 161 3.817 -13.578 -2.754 1.00 1.13 H new ATOM 0 HB3 PRO A 161 2.647 -13.735 -4.049 1.00 1.13 H new ATOM 0 HG2 PRO A 161 3.005 -15.715 -2.282 1.00 1.37 H new ATOM 0 HG3 PRO A 161 2.652 -16.066 -3.962 1.00 1.37 H new ATOM 0 HD2 PRO A 161 5.291 -16.215 -2.516 1.00 1.35 H new ATOM 0 HD3 PRO A 161 4.649 -17.282 -3.749 1.00 1.35 H new ATOM 366 N ALA A 162 6.394 -13.108 -3.296 1.00 1.12 N ATOM 367 CA ALA A 162 7.319 -12.071 -2.848 1.00 1.15 C ATOM 368 C ALA A 162 8.320 -11.696 -3.932 1.00 1.12 C ATOM 369 O ALA A 162 8.699 -10.534 -4.064 1.00 1.08 O ATOM 370 CB ALA A 162 8.060 -12.534 -1.608 1.00 1.37 C ATOM 0 H ALA A 162 6.382 -13.936 -2.701 1.00 1.12 H new ATOM 0 HA ALA A 162 6.728 -11.185 -2.616 1.00 1.15 H new ATOM 0 HB1 ALA A 162 8.747 -11.753 -1.282 1.00 1.37 H new ATOM 0 HB2 ALA A 162 7.344 -12.742 -0.813 1.00 1.37 H new ATOM 0 HB3 ALA A 162 8.622 -13.440 -1.837 1.00 1.37 H new ATOM 376 N MET A 163 8.734 -12.675 -4.724 1.00 1.16 N ATOM 377 CA MET A 163 9.735 -12.438 -5.749 1.00 1.24 C ATOM 378 C MET A 163 9.126 -11.634 -6.891 1.00 1.08 C ATOM 379 O MET A 163 9.758 -10.730 -7.440 1.00 1.04 O ATOM 380 CB MET A 163 10.298 -13.768 -6.254 1.00 1.46 C ATOM 381 CG MET A 163 11.405 -13.612 -7.281 1.00 2.02 C ATOM 382 SD MET A 163 12.216 -15.175 -7.683 1.00 2.40 S ATOM 383 CE MET A 163 10.830 -16.148 -8.269 1.00 2.50 C ATOM 0 H MET A 163 8.393 -13.635 -4.676 1.00 1.16 H new ATOM 0 HA MET A 163 10.557 -11.863 -5.323 1.00 1.24 H new ATOM 0 HB2 MET A 163 10.679 -14.336 -5.406 1.00 1.46 H new ATOM 0 HB3 MET A 163 9.488 -14.352 -6.691 1.00 1.46 H new ATOM 0 HG2 MET A 163 10.991 -13.179 -8.191 1.00 2.02 H new ATOM 0 HG3 MET A 163 12.148 -12.910 -6.903 1.00 2.02 H new ATOM 0 HE1 MET A 163 11.199 -17.045 -8.765 1.00 2.50 H new ATOM 0 HE2 MET A 163 10.202 -16.433 -7.425 1.00 2.50 H new ATOM 0 HE3 MET A 163 10.244 -15.559 -8.974 1.00 2.50 H new ATOM 393 N MET A 164 7.883 -11.957 -7.231 1.00 1.04 N ATOM 394 CA MET A 164 7.148 -11.199 -8.237 1.00 0.97 C ATOM 395 C MET A 164 6.821 -9.805 -7.711 1.00 0.83 C ATOM 396 O MET A 164 6.930 -8.821 -8.433 1.00 0.85 O ATOM 397 CB MET A 164 5.858 -11.922 -8.631 1.00 1.04 C ATOM 398 CG MET A 164 6.080 -13.190 -9.442 1.00 1.06 C ATOM 399 SD MET A 164 6.870 -12.867 -11.031 1.00 1.71 S ATOM 400 CE MET A 164 6.919 -14.518 -11.729 1.00 1.81 C ATOM 0 H MET A 164 7.364 -12.736 -6.826 1.00 1.04 H new ATOM 0 HA MET A 164 7.778 -11.110 -9.122 1.00 0.97 H new ATOM 0 HB2 MET A 164 5.305 -12.174 -7.726 1.00 1.04 H new ATOM 0 HB3 MET A 164 5.233 -11.240 -9.207 1.00 1.04 H new ATOM 0 HG2 MET A 164 6.697 -13.881 -8.867 1.00 1.06 H new ATOM 0 HG3 MET A 164 5.122 -13.682 -9.610 1.00 1.06 H new ATOM 0 HE1 MET A 164 7.163 -14.458 -12.790 1.00 1.81 H new ATOM 0 HE2 MET A 164 7.678 -15.108 -11.215 1.00 1.81 H new ATOM 0 HE3 MET A 164 5.946 -14.994 -11.607 1.00 1.81 H new ATOM 410 N ILE A 165 6.436 -9.737 -6.438 1.00 0.75 N ATOM 411 CA ILE A 165 6.103 -8.470 -5.788 1.00 0.65 C ATOM 412 C ILE A 165 7.256 -7.481 -5.882 1.00 0.62 C ATOM 413 O ILE A 165 7.048 -6.296 -6.168 1.00 0.56 O ATOM 414 CB ILE A 165 5.734 -8.681 -4.303 1.00 0.69 C ATOM 415 CG1 ILE A 165 4.438 -9.490 -4.192 1.00 0.74 C ATOM 416 CG2 ILE A 165 5.598 -7.346 -3.581 1.00 0.68 C ATOM 417 CD1 ILE A 165 4.135 -9.965 -2.788 1.00 0.90 C ATOM 0 H ILE A 165 6.346 -10.552 -5.831 1.00 0.75 H new ATOM 0 HA ILE A 165 5.240 -8.062 -6.314 1.00 0.65 H new ATOM 0 HB ILE A 165 6.538 -9.240 -3.824 1.00 0.69 H new ATOM 0 HG12 ILE A 165 3.608 -8.879 -4.546 1.00 0.74 H new ATOM 0 HG13 ILE A 165 4.502 -10.355 -4.852 1.00 0.74 H new ATOM 0 HG21 ILE A 165 5.338 -7.522 -2.537 1.00 0.68 H new ATOM 0 HG22 ILE A 165 6.543 -6.806 -3.633 1.00 0.68 H new ATOM 0 HG23 ILE A 165 4.815 -6.754 -4.055 1.00 0.68 H new ATOM 0 HD11 ILE A 165 3.203 -10.530 -2.788 1.00 0.90 H new ATOM 0 HD12 ILE A 165 4.946 -10.603 -2.437 1.00 0.90 H new ATOM 0 HD13 ILE A 165 4.037 -9.105 -2.126 1.00 0.90 H new ATOM 429 N SER A 166 8.479 -7.969 -5.706 1.00 0.71 N ATOM 430 CA SER A 166 9.627 -7.096 -5.729 1.00 0.73 C ATOM 431 C SER A 166 9.917 -6.741 -7.176 1.00 0.65 C ATOM 432 O SER A 166 9.988 -5.574 -7.524 1.00 0.65 O ATOM 433 CB SER A 166 10.834 -7.777 -5.069 1.00 0.87 C ATOM 434 OG SER A 166 11.961 -6.918 -5.032 1.00 1.94 O ATOM 0 H SER A 166 8.691 -8.954 -5.548 1.00 0.71 H new ATOM 0 HA SER A 166 9.425 -6.187 -5.163 1.00 0.73 H new ATOM 0 HB2 SER A 166 10.573 -8.079 -4.055 1.00 0.87 H new ATOM 0 HB3 SER A 166 11.085 -8.685 -5.617 1.00 0.87 H new ATOM 0 HG SER A 166 11.921 -6.360 -4.227 1.00 1.94 H new ATOM 440 N SER A 167 10.024 -7.764 -8.023 1.00 0.70 N ATOM 441 CA SER A 167 10.214 -7.585 -9.459 1.00 0.63 C ATOM 442 C SER A 167 9.136 -6.684 -10.084 1.00 0.50 C ATOM 443 O SER A 167 9.336 -6.141 -11.162 1.00 0.71 O ATOM 444 CB SER A 167 10.231 -8.947 -10.162 1.00 0.78 C ATOM 445 OG SER A 167 10.510 -8.806 -11.547 1.00 1.37 O ATOM 0 H SER A 167 9.981 -8.740 -7.731 1.00 0.70 H new ATOM 0 HA SER A 167 11.174 -7.087 -9.598 1.00 0.63 H new ATOM 0 HB2 SER A 167 10.982 -9.588 -9.700 1.00 0.78 H new ATOM 0 HB3 SER A 167 9.267 -9.439 -10.031 1.00 0.78 H new ATOM 0 HG SER A 167 10.516 -9.690 -11.971 1.00 1.37 H new ATOM 451 N GLU A 168 8.024 -6.488 -9.393 1.00 0.56 N ATOM 452 CA GLU A 168 6.908 -5.754 -9.983 1.00 0.44 C ATOM 453 C GLU A 168 7.104 -4.277 -9.719 1.00 0.34 C ATOM 454 O GLU A 168 7.039 -3.444 -10.624 1.00 0.48 O ATOM 455 CB GLU A 168 5.557 -6.202 -9.416 1.00 0.53 C ATOM 456 CG GLU A 168 4.377 -5.593 -10.160 1.00 0.95 C ATOM 457 CD GLU A 168 4.533 -5.699 -11.663 1.00 1.02 C ATOM 458 OE1 GLU A 168 4.141 -6.731 -12.240 1.00 1.26 O ATOM 459 OE2 GLU A 168 5.071 -4.754 -12.276 1.00 1.21 O ATOM 0 H GLU A 168 7.868 -6.818 -8.441 1.00 0.56 H new ATOM 0 HA GLU A 168 6.894 -5.958 -11.054 1.00 0.44 H new ATOM 0 HB2 GLU A 168 5.490 -7.289 -9.464 1.00 0.53 H new ATOM 0 HB3 GLU A 168 5.500 -5.925 -8.363 1.00 0.53 H new ATOM 0 HG2 GLU A 168 3.459 -6.095 -9.855 1.00 0.95 H new ATOM 0 HG3 GLU A 168 4.275 -4.545 -9.880 1.00 0.95 H new ATOM 466 N LEU A 169 7.372 -3.972 -8.468 1.00 0.36 N ATOM 467 CA LEU A 169 7.598 -2.607 -8.047 1.00 0.45 C ATOM 468 C LEU A 169 8.974 -2.144 -8.531 1.00 0.50 C ATOM 469 O LEU A 169 9.158 -0.999 -8.945 1.00 0.50 O ATOM 470 CB LEU A 169 7.510 -2.548 -6.519 1.00 0.54 C ATOM 471 CG LEU A 169 6.221 -3.127 -5.917 1.00 0.47 C ATOM 472 CD1 LEU A 169 6.292 -3.124 -4.402 1.00 0.66 C ATOM 473 CD2 LEU A 169 5.002 -2.351 -6.385 1.00 0.47 C ATOM 0 H LEU A 169 7.439 -4.660 -7.718 1.00 0.36 H new ATOM 0 HA LEU A 169 6.845 -1.945 -8.475 1.00 0.45 H new ATOM 0 HB2 LEU A 169 8.361 -3.085 -6.101 1.00 0.54 H new ATOM 0 HB3 LEU A 169 7.604 -1.508 -6.205 1.00 0.54 H new ATOM 0 HG LEU A 169 6.124 -4.156 -6.263 1.00 0.47 H new ATOM 0 HD11 LEU A 169 5.370 -3.538 -3.994 1.00 0.66 H new ATOM 0 HD12 LEU A 169 7.137 -3.730 -4.076 1.00 0.66 H new ATOM 0 HD13 LEU A 169 6.420 -2.102 -4.046 1.00 0.66 H new ATOM 0 HD21 LEU A 169 4.104 -2.783 -5.943 1.00 0.47 H new ATOM 0 HD22 LEU A 169 5.093 -1.310 -6.077 1.00 0.47 H new ATOM 0 HD23 LEU A 169 4.933 -2.403 -7.472 1.00 0.47 H new ATOM 485 N ALA A 170 9.920 -3.075 -8.499 1.00 0.55 N ATOM 486 CA ALA A 170 11.315 -2.790 -8.809 1.00 0.60 C ATOM 487 C ALA A 170 11.638 -2.834 -10.307 1.00 0.59 C ATOM 488 O ALA A 170 12.711 -2.379 -10.698 1.00 0.64 O ATOM 489 CB ALA A 170 12.231 -3.744 -8.053 1.00 0.62 C ATOM 0 H ALA A 170 9.741 -4.050 -8.257 1.00 0.55 H new ATOM 0 HA ALA A 170 11.490 -1.764 -8.486 1.00 0.60 H new ATOM 0 HB1 ALA A 170 13.270 -3.519 -8.295 1.00 0.62 H new ATOM 0 HB2 ALA A 170 12.074 -3.626 -6.981 1.00 0.62 H new ATOM 0 HB3 ALA A 170 12.005 -4.771 -8.342 1.00 0.62 H new ATOM 495 N LYS A 171 10.759 -3.372 -11.163 1.00 0.55 N ATOM 496 CA LYS A 171 11.045 -3.329 -12.596 1.00 0.59 C ATOM 497 C LYS A 171 10.456 -2.059 -13.190 1.00 0.64 C ATOM 498 O LYS A 171 10.576 -1.792 -14.386 1.00 0.78 O ATOM 499 CB LYS A 171 10.521 -4.563 -13.340 1.00 0.58 C ATOM 500 CG LYS A 171 9.028 -4.563 -13.657 1.00 0.63 C ATOM 501 CD LYS A 171 8.687 -5.712 -14.596 1.00 0.67 C ATOM 502 CE LYS A 171 7.234 -5.690 -15.042 1.00 0.96 C ATOM 503 NZ LYS A 171 6.310 -6.295 -14.047 1.00 0.93 N ATOM 0 H LYS A 171 9.882 -3.823 -10.901 1.00 0.55 H new ATOM 0 HA LYS A 171 12.128 -3.330 -12.718 1.00 0.59 H new ATOM 0 HB2 LYS A 171 11.072 -4.661 -14.275 1.00 0.58 H new ATOM 0 HB3 LYS A 171 10.747 -5.447 -12.743 1.00 0.58 H new ATOM 0 HG2 LYS A 171 8.454 -4.655 -12.735 1.00 0.63 H new ATOM 0 HG3 LYS A 171 8.746 -3.615 -14.115 1.00 0.63 H new ATOM 0 HD2 LYS A 171 9.333 -5.664 -15.473 1.00 0.67 H new ATOM 0 HD3 LYS A 171 8.896 -6.658 -14.097 1.00 0.67 H new ATOM 0 HE2 LYS A 171 6.933 -4.659 -15.229 1.00 0.96 H new ATOM 0 HE3 LYS A 171 7.142 -6.225 -15.987 1.00 0.96 H new ATOM 0 HZ1 LYS A 171 5.731 -7.024 -14.510 1.00 0.93 H new ATOM 0 HZ2 LYS A 171 6.862 -6.727 -13.279 1.00 0.93 H new ATOM 0 HZ3 LYS A 171 5.690 -5.557 -13.656 1.00 0.93 H new ATOM 517 N LYS A 172 9.810 -1.289 -12.333 1.00 0.60 N ATOM 518 CA LYS A 172 9.291 0.008 -12.701 1.00 0.64 C ATOM 519 C LYS A 172 10.360 1.064 -12.463 1.00 0.54 C ATOM 520 O LYS A 172 10.991 1.088 -11.405 1.00 0.62 O ATOM 521 CB LYS A 172 8.036 0.330 -11.884 1.00 0.80 C ATOM 522 CG LYS A 172 6.823 -0.502 -12.267 1.00 0.78 C ATOM 523 CD LYS A 172 5.611 -0.135 -11.426 1.00 0.67 C ATOM 524 CE LYS A 172 4.329 -0.716 -12.001 1.00 0.91 C ATOM 525 NZ LYS A 172 4.349 -2.202 -12.043 1.00 1.40 N ATOM 0 H LYS A 172 9.632 -1.549 -11.363 1.00 0.60 H new ATOM 0 HA LYS A 172 9.020 0.001 -13.757 1.00 0.64 H new ATOM 0 HB2 LYS A 172 8.252 0.174 -10.827 1.00 0.80 H new ATOM 0 HB3 LYS A 172 7.794 1.386 -12.008 1.00 0.80 H new ATOM 0 HG2 LYS A 172 6.595 -0.351 -13.322 1.00 0.78 H new ATOM 0 HG3 LYS A 172 7.050 -1.560 -12.138 1.00 0.78 H new ATOM 0 HD2 LYS A 172 5.751 -0.499 -10.408 1.00 0.67 H new ATOM 0 HD3 LYS A 172 5.524 0.950 -11.367 1.00 0.67 H new ATOM 0 HE2 LYS A 172 3.482 -0.384 -11.401 1.00 0.91 H new ATOM 0 HE3 LYS A 172 4.178 -0.329 -13.009 1.00 0.91 H new ATOM 0 HZ1 LYS A 172 3.435 -2.552 -12.395 1.00 1.40 H new ATOM 0 HZ2 LYS A 172 5.109 -2.521 -12.677 1.00 1.40 H new ATOM 0 HZ3 LYS A 172 4.517 -2.574 -11.086 1.00 1.40 H new ATOM 539 N PRO A 173 10.590 1.932 -13.463 1.00 0.47 N ATOM 540 CA PRO A 173 11.602 2.992 -13.383 1.00 0.42 C ATOM 541 C PRO A 173 11.405 3.891 -12.169 1.00 0.35 C ATOM 542 O PRO A 173 10.280 4.118 -11.718 1.00 0.35 O ATOM 543 CB PRO A 173 11.387 3.792 -14.672 1.00 0.43 C ATOM 544 CG PRO A 173 10.731 2.840 -15.608 1.00 0.62 C ATOM 545 CD PRO A 173 9.877 1.950 -14.753 1.00 0.53 C ATOM 0 HA PRO A 173 12.607 2.583 -13.279 1.00 0.42 H new ATOM 0 HB2 PRO A 173 10.761 4.666 -14.495 1.00 0.43 H new ATOM 0 HB3 PRO A 173 12.333 4.154 -15.075 1.00 0.43 H new ATOM 0 HG2 PRO A 173 10.128 3.370 -16.346 1.00 0.62 H new ATOM 0 HG3 PRO A 173 11.472 2.260 -16.159 1.00 0.62 H new ATOM 0 HD2 PRO A 173 8.866 2.343 -14.648 1.00 0.53 H new ATOM 0 HD3 PRO A 173 9.788 0.950 -15.177 1.00 0.53 H new ATOM 553 N LYS A 174 12.542 4.371 -11.652 1.00 0.34 N ATOM 554 CA LYS A 174 12.618 5.230 -10.465 1.00 0.36 C ATOM 555 C LYS A 174 11.526 6.301 -10.433 1.00 0.32 C ATOM 556 O LYS A 174 11.040 6.649 -9.361 1.00 0.34 O ATOM 557 CB LYS A 174 14.003 5.884 -10.400 1.00 0.43 C ATOM 558 CG LYS A 174 14.187 6.829 -9.223 1.00 0.59 C ATOM 559 CD LYS A 174 15.548 7.517 -9.235 1.00 0.82 C ATOM 560 CE LYS A 174 16.660 6.592 -8.755 1.00 1.58 C ATOM 561 NZ LYS A 174 17.146 5.664 -9.815 1.00 2.38 N ATOM 0 H LYS A 174 13.456 4.168 -12.057 1.00 0.34 H new ATOM 0 HA LYS A 174 12.457 4.597 -9.593 1.00 0.36 H new ATOM 0 HB2 LYS A 174 14.760 5.102 -10.346 1.00 0.43 H new ATOM 0 HB3 LYS A 174 14.177 6.434 -11.325 1.00 0.43 H new ATOM 0 HG2 LYS A 174 13.401 7.584 -9.241 1.00 0.59 H new ATOM 0 HG3 LYS A 174 14.073 6.272 -8.293 1.00 0.59 H new ATOM 0 HD2 LYS A 174 15.772 7.859 -10.245 1.00 0.82 H new ATOM 0 HD3 LYS A 174 15.513 8.402 -8.599 1.00 0.82 H new ATOM 0 HE2 LYS A 174 17.495 7.193 -8.396 1.00 1.58 H new ATOM 0 HE3 LYS A 174 16.299 6.009 -7.907 1.00 1.58 H new ATOM 0 HZ1 LYS A 174 16.894 4.687 -9.563 1.00 2.38 H new ATOM 0 HZ2 LYS A 174 16.704 5.913 -10.723 1.00 2.38 H new ATOM 0 HZ3 LYS A 174 18.179 5.744 -9.899 1.00 2.38 H new ATOM 575 N GLU A 175 11.166 6.825 -11.599 1.00 0.31 N ATOM 576 CA GLU A 175 10.037 7.746 -11.734 1.00 0.34 C ATOM 577 C GLU A 175 8.813 7.262 -10.946 1.00 0.29 C ATOM 578 O GLU A 175 8.284 7.981 -10.102 1.00 0.33 O ATOM 579 CB GLU A 175 9.679 7.867 -13.220 1.00 0.46 C ATOM 580 CG GLU A 175 8.382 8.607 -13.503 1.00 0.74 C ATOM 581 CD GLU A 175 8.510 10.106 -13.366 1.00 0.83 C ATOM 582 OE1 GLU A 175 8.985 10.750 -14.321 1.00 1.27 O ATOM 583 OE2 GLU A 175 8.115 10.652 -12.321 1.00 1.48 O ATOM 0 H GLU A 175 11.645 6.626 -12.477 1.00 0.31 H new ATOM 0 HA GLU A 175 10.328 8.715 -11.328 1.00 0.34 H new ATOM 0 HB2 GLU A 175 10.493 8.378 -13.735 1.00 0.46 H new ATOM 0 HB3 GLU A 175 9.611 6.866 -13.646 1.00 0.46 H new ATOM 0 HG2 GLU A 175 8.048 8.368 -14.513 1.00 0.74 H new ATOM 0 HG3 GLU A 175 7.611 8.251 -12.819 1.00 0.74 H new ATOM 590 N VAL A 176 8.388 6.036 -11.228 1.00 0.27 N ATOM 591 CA VAL A 176 7.166 5.484 -10.651 1.00 0.26 C ATOM 592 C VAL A 176 7.208 5.409 -9.128 1.00 0.25 C ATOM 593 O VAL A 176 6.298 5.906 -8.467 1.00 0.29 O ATOM 594 CB VAL A 176 6.852 4.095 -11.233 1.00 0.26 C ATOM 595 CG1 VAL A 176 5.778 3.388 -10.416 1.00 0.26 C ATOM 596 CG2 VAL A 176 6.420 4.241 -12.679 1.00 0.32 C ATOM 0 H VAL A 176 8.876 5.400 -11.858 1.00 0.27 H new ATOM 0 HA VAL A 176 6.369 6.176 -10.922 1.00 0.26 H new ATOM 0 HB VAL A 176 7.752 3.482 -11.188 1.00 0.26 H new ATOM 0 HG11 VAL A 176 5.576 2.409 -10.850 1.00 0.26 H new ATOM 0 HG12 VAL A 176 6.123 3.266 -9.389 1.00 0.26 H new ATOM 0 HG13 VAL A 176 4.865 3.983 -10.423 1.00 0.26 H new ATOM 0 HG21 VAL A 176 6.197 3.258 -13.093 1.00 0.32 H new ATOM 0 HG22 VAL A 176 5.529 4.867 -12.731 1.00 0.32 H new ATOM 0 HG23 VAL A 176 7.223 4.703 -13.254 1.00 0.32 H new ATOM 606 N GLN A 177 8.245 4.785 -8.575 1.00 0.23 N ATOM 607 CA GLN A 177 8.345 4.644 -7.125 1.00 0.28 C ATOM 608 C GLN A 177 8.307 6.012 -6.456 1.00 0.32 C ATOM 609 O GLN A 177 7.600 6.206 -5.474 1.00 0.37 O ATOM 610 CB GLN A 177 9.609 3.872 -6.707 1.00 0.30 C ATOM 611 CG GLN A 177 10.868 4.311 -7.432 1.00 0.45 C ATOM 612 CD GLN A 177 12.090 3.510 -7.031 1.00 0.87 C ATOM 613 OE1 GLN A 177 12.807 3.876 -6.103 1.00 1.79 O ATOM 614 NE2 GLN A 177 12.340 2.413 -7.731 1.00 0.96 N ATOM 0 H GLN A 177 9.017 4.374 -9.100 1.00 0.23 H new ATOM 0 HA GLN A 177 7.486 4.062 -6.792 1.00 0.28 H new ATOM 0 HB2 GLN A 177 9.759 3.994 -5.634 1.00 0.30 H new ATOM 0 HB3 GLN A 177 9.450 2.809 -6.888 1.00 0.30 H new ATOM 0 HG2 GLN A 177 10.714 4.215 -8.507 1.00 0.45 H new ATOM 0 HG3 GLN A 177 11.049 5.366 -7.228 1.00 0.45 H new ATOM 0 HE21 GLN A 177 11.720 2.143 -8.495 1.00 0.96 H new ATOM 0 HE22 GLN A 177 13.152 1.839 -7.506 1.00 0.96 H new ATOM 623 N LEU A 178 9.042 6.968 -7.009 1.00 0.35 N ATOM 624 CA LEU A 178 9.063 8.320 -6.458 1.00 0.39 C ATOM 625 C LEU A 178 7.699 8.981 -6.604 1.00 0.39 C ATOM 626 O LEU A 178 7.170 9.528 -5.642 1.00 0.46 O ATOM 627 CB LEU A 178 10.131 9.168 -7.153 1.00 0.44 C ATOM 628 CG LEU A 178 11.539 8.569 -7.154 1.00 0.54 C ATOM 629 CD1 LEU A 178 12.516 9.509 -7.840 1.00 0.58 C ATOM 630 CD2 LEU A 178 11.998 8.248 -5.740 1.00 0.55 C ATOM 0 H LEU A 178 9.628 6.836 -7.833 1.00 0.35 H new ATOM 0 HA LEU A 178 9.306 8.249 -5.398 1.00 0.39 H new ATOM 0 HB2 LEU A 178 9.824 9.336 -8.185 1.00 0.44 H new ATOM 0 HB3 LEU A 178 10.169 10.144 -6.669 1.00 0.44 H new ATOM 0 HG LEU A 178 11.510 7.634 -7.714 1.00 0.54 H new ATOM 0 HD11 LEU A 178 13.513 9.067 -7.832 1.00 0.58 H new ATOM 0 HD12 LEU A 178 12.200 9.673 -8.870 1.00 0.58 H new ATOM 0 HD13 LEU A 178 12.537 10.462 -7.311 1.00 0.58 H new ATOM 0 HD21 LEU A 178 13.002 7.824 -5.771 1.00 0.55 H new ATOM 0 HD22 LEU A 178 12.008 9.161 -5.145 1.00 0.55 H new ATOM 0 HD23 LEU A 178 11.314 7.529 -5.290 1.00 0.55 H new ATOM 642 N LYS A 179 7.130 8.911 -7.800 1.00 0.36 N ATOM 643 CA LYS A 179 5.833 9.523 -8.074 1.00 0.40 C ATOM 644 C LYS A 179 4.766 8.973 -7.129 1.00 0.31 C ATOM 645 O LYS A 179 4.057 9.733 -6.462 1.00 0.29 O ATOM 646 CB LYS A 179 5.440 9.262 -9.530 1.00 0.49 C ATOM 647 CG LYS A 179 4.227 10.053 -9.994 1.00 0.98 C ATOM 648 CD LYS A 179 4.475 11.557 -9.948 1.00 1.00 C ATOM 649 CE LYS A 179 5.715 11.957 -10.736 1.00 1.36 C ATOM 650 NZ LYS A 179 5.631 11.557 -12.164 1.00 1.52 N ATOM 0 H LYS A 179 7.547 8.435 -8.600 1.00 0.36 H new ATOM 0 HA LYS A 179 5.909 10.598 -7.910 1.00 0.40 H new ATOM 0 HB2 LYS A 179 6.286 9.504 -10.173 1.00 0.49 H new ATOM 0 HB3 LYS A 179 5.237 8.198 -9.656 1.00 0.49 H new ATOM 0 HG2 LYS A 179 3.970 9.759 -11.012 1.00 0.98 H new ATOM 0 HG3 LYS A 179 3.371 9.807 -9.365 1.00 0.98 H new ATOM 0 HD2 LYS A 179 3.607 12.080 -10.349 1.00 1.00 H new ATOM 0 HD3 LYS A 179 4.587 11.874 -8.911 1.00 1.00 H new ATOM 0 HE2 LYS A 179 5.851 13.037 -10.671 1.00 1.36 H new ATOM 0 HE3 LYS A 179 6.594 11.497 -10.284 1.00 1.36 H new ATOM 0 HZ1 LYS A 179 6.340 10.822 -12.361 1.00 1.52 H new ATOM 0 HZ2 LYS A 179 4.681 11.184 -12.365 1.00 1.52 H new ATOM 0 HZ3 LYS A 179 5.813 12.384 -12.768 1.00 1.52 H new ATOM 664 N PHE A 180 4.686 7.647 -7.072 1.00 0.29 N ATOM 665 CA PHE A 180 3.748 6.950 -6.209 1.00 0.23 C ATOM 666 C PHE A 180 3.950 7.377 -4.764 1.00 0.22 C ATOM 667 O PHE A 180 3.011 7.799 -4.094 1.00 0.23 O ATOM 668 CB PHE A 180 3.957 5.433 -6.349 1.00 0.19 C ATOM 669 CG PHE A 180 3.130 4.586 -5.416 1.00 0.17 C ATOM 670 CD1 PHE A 180 3.530 4.398 -4.101 1.00 0.15 C ATOM 671 CD2 PHE A 180 1.968 3.967 -5.849 1.00 0.26 C ATOM 672 CE1 PHE A 180 2.790 3.616 -3.239 1.00 0.17 C ATOM 673 CE2 PHE A 180 1.227 3.185 -4.988 1.00 0.29 C ATOM 674 CZ PHE A 180 1.638 3.011 -3.683 1.00 0.23 C ATOM 0 H PHE A 180 5.275 7.026 -7.627 1.00 0.29 H new ATOM 0 HA PHE A 180 2.729 7.202 -6.505 1.00 0.23 H new ATOM 0 HB2 PHE A 180 3.730 5.144 -7.375 1.00 0.19 H new ATOM 0 HB3 PHE A 180 5.010 5.210 -6.180 1.00 0.19 H new ATOM 0 HD1 PHE A 180 4.434 4.871 -3.747 1.00 0.15 H new ATOM 0 HD2 PHE A 180 1.640 4.098 -6.870 1.00 0.26 H new ATOM 0 HE1 PHE A 180 3.115 3.479 -2.218 1.00 0.17 H new ATOM 0 HE2 PHE A 180 0.323 2.708 -5.336 1.00 0.29 H new ATOM 0 HZ PHE A 180 1.055 2.400 -3.010 1.00 0.23 H new ATOM 684 N LEU A 181 5.189 7.289 -4.306 1.00 0.25 N ATOM 685 CA LEU A 181 5.503 7.523 -2.911 1.00 0.27 C ATOM 686 C LEU A 181 5.335 8.979 -2.495 1.00 0.29 C ATOM 687 O LEU A 181 4.912 9.228 -1.372 1.00 0.29 O ATOM 688 CB LEU A 181 6.907 7.027 -2.585 1.00 0.31 C ATOM 689 CG LEU A 181 7.085 5.509 -2.666 1.00 0.31 C ATOM 690 CD1 LEU A 181 8.529 5.123 -2.406 1.00 0.37 C ATOM 691 CD2 LEU A 181 6.165 4.806 -1.678 1.00 0.29 C ATOM 0 H LEU A 181 5.995 7.056 -4.886 1.00 0.25 H new ATOM 0 HA LEU A 181 4.779 6.951 -2.331 1.00 0.27 H new ATOM 0 HB2 LEU A 181 7.612 7.499 -3.269 1.00 0.31 H new ATOM 0 HB3 LEU A 181 7.170 7.357 -1.580 1.00 0.31 H new ATOM 0 HG LEU A 181 6.818 5.191 -3.674 1.00 0.31 H new ATOM 0 HD11 LEU A 181 8.633 4.040 -2.468 1.00 0.37 H new ATOM 0 HD12 LEU A 181 9.171 5.593 -3.151 1.00 0.37 H new ATOM 0 HD13 LEU A 181 8.822 5.459 -1.411 1.00 0.37 H new ATOM 0 HD21 LEU A 181 6.307 3.728 -1.752 1.00 0.29 H new ATOM 0 HD22 LEU A 181 6.399 5.134 -0.665 1.00 0.29 H new ATOM 0 HD23 LEU A 181 5.128 5.052 -1.908 1.00 0.29 H new ATOM 703 N GLN A 182 5.651 9.945 -3.361 1.00 0.31 N ATOM 704 CA GLN A 182 5.453 11.354 -3.016 1.00 0.35 C ATOM 705 C GLN A 182 3.989 11.634 -2.731 1.00 0.29 C ATOM 706 O GLN A 182 3.628 12.112 -1.653 1.00 0.31 O ATOM 707 CB GLN A 182 5.901 12.271 -4.161 1.00 0.48 C ATOM 708 CG GLN A 182 7.388 12.252 -4.449 1.00 0.78 C ATOM 709 CD GLN A 182 8.220 12.815 -3.318 1.00 1.22 C ATOM 710 OE1 GLN A 182 7.777 13.680 -2.565 1.00 1.83 O ATOM 711 NE2 GLN A 182 9.449 12.345 -3.216 1.00 1.51 N ATOM 0 H GLN A 182 6.038 9.782 -4.290 1.00 0.31 H new ATOM 0 HA GLN A 182 6.053 11.555 -2.129 1.00 0.35 H new ATOM 0 HB2 GLN A 182 5.367 11.984 -5.067 1.00 0.48 H new ATOM 0 HB3 GLN A 182 5.604 13.293 -3.926 1.00 0.48 H new ATOM 0 HG2 GLN A 182 7.701 11.227 -4.646 1.00 0.78 H new ATOM 0 HG3 GLN A 182 7.584 12.825 -5.356 1.00 0.78 H new ATOM 0 HE21 GLN A 182 9.776 11.627 -3.862 1.00 1.51 H new ATOM 0 HE22 GLN A 182 10.072 12.700 -2.491 1.00 1.51 H new ATOM 720 N LYS A 183 3.144 11.336 -3.713 1.00 0.30 N ATOM 721 CA LYS A 183 1.718 11.621 -3.584 1.00 0.36 C ATOM 722 C LYS A 183 1.089 10.778 -2.479 1.00 0.25 C ATOM 723 O LYS A 183 0.204 11.248 -1.764 1.00 0.27 O ATOM 724 CB LYS A 183 0.968 11.406 -4.905 1.00 0.57 C ATOM 725 CG LYS A 183 1.119 10.013 -5.494 1.00 0.92 C ATOM 726 CD LYS A 183 0.117 9.765 -6.611 1.00 1.07 C ATOM 727 CE LYS A 183 0.180 10.838 -7.686 1.00 0.72 C ATOM 728 NZ LYS A 183 -0.890 10.666 -8.702 1.00 1.46 N ATOM 0 H LYS A 183 3.416 10.903 -4.596 1.00 0.30 H new ATOM 0 HA LYS A 183 1.628 12.674 -3.317 1.00 0.36 H new ATOM 0 HB2 LYS A 183 -0.091 11.606 -4.744 1.00 0.57 H new ATOM 0 HB3 LYS A 183 1.323 12.135 -5.633 1.00 0.57 H new ATOM 0 HG2 LYS A 183 2.131 9.888 -5.878 1.00 0.92 H new ATOM 0 HG3 LYS A 183 0.982 9.269 -4.709 1.00 0.92 H new ATOM 0 HD2 LYS A 183 0.310 8.791 -7.060 1.00 1.07 H new ATOM 0 HD3 LYS A 183 -0.889 9.730 -6.193 1.00 1.07 H new ATOM 0 HE2 LYS A 183 0.088 11.821 -7.224 1.00 0.72 H new ATOM 0 HE3 LYS A 183 1.154 10.806 -8.175 1.00 0.72 H new ATOM 0 HZ1 LYS A 183 -0.547 10.996 -9.627 1.00 1.46 H new ATOM 0 HZ2 LYS A 183 -1.149 9.661 -8.767 1.00 1.46 H new ATOM 0 HZ3 LYS A 183 -1.725 11.221 -8.425 1.00 1.46 H new ATOM 742 N PHE A 184 1.545 9.536 -2.344 1.00 0.21 N ATOM 743 CA PHE A 184 1.036 8.652 -1.305 1.00 0.21 C ATOM 744 C PHE A 184 1.420 9.171 0.077 1.00 0.22 C ATOM 745 O PHE A 184 0.574 9.261 0.961 1.00 0.25 O ATOM 746 CB PHE A 184 1.548 7.219 -1.493 1.00 0.22 C ATOM 747 CG PHE A 184 0.815 6.216 -0.650 1.00 0.22 C ATOM 748 CD1 PHE A 184 -0.436 5.760 -1.031 1.00 0.21 C ATOM 749 CD2 PHE A 184 1.369 5.738 0.528 1.00 0.29 C ATOM 750 CE1 PHE A 184 -1.119 4.845 -0.258 1.00 0.22 C ATOM 751 CE2 PHE A 184 0.688 4.822 1.307 1.00 0.32 C ATOM 752 CZ PHE A 184 -0.558 4.375 0.914 1.00 0.26 C ATOM 0 H PHE A 184 2.263 9.122 -2.939 1.00 0.21 H new ATOM 0 HA PHE A 184 -0.051 8.637 -1.386 1.00 0.21 H new ATOM 0 HB2 PHE A 184 1.454 6.941 -2.543 1.00 0.22 H new ATOM 0 HB3 PHE A 184 2.610 7.184 -1.248 1.00 0.22 H new ATOM 0 HD1 PHE A 184 -0.882 6.125 -1.944 1.00 0.21 H new ATOM 0 HD2 PHE A 184 2.343 6.085 0.840 1.00 0.29 H new ATOM 0 HE1 PHE A 184 -2.093 4.496 -0.569 1.00 0.22 H new ATOM 0 HE2 PHE A 184 1.130 4.456 2.222 1.00 0.32 H new ATOM 0 HZ PHE A 184 -1.093 3.660 1.521 1.00 0.26 H new ATOM 762 N GLN A 185 2.701 9.491 0.260 1.00 0.24 N ATOM 763 CA GLN A 185 3.186 10.070 1.516 1.00 0.30 C ATOM 764 C GLN A 185 2.334 11.261 1.946 1.00 0.32 C ATOM 765 O GLN A 185 1.969 11.380 3.113 1.00 0.39 O ATOM 766 CB GLN A 185 4.642 10.522 1.388 1.00 0.35 C ATOM 767 CG GLN A 185 5.297 10.821 2.726 1.00 0.64 C ATOM 768 CD GLN A 185 6.622 11.539 2.585 1.00 0.53 C ATOM 769 OE1 GLN A 185 7.327 11.396 1.592 1.00 1.22 O ATOM 770 NE2 GLN A 185 6.979 12.308 3.592 1.00 0.82 N ATOM 0 H GLN A 185 3.424 9.359 -0.447 1.00 0.24 H new ATOM 0 HA GLN A 185 3.114 9.288 2.272 1.00 0.30 H new ATOM 0 HB2 GLN A 185 5.213 9.747 0.877 1.00 0.35 H new ATOM 0 HB3 GLN A 185 4.685 11.414 0.763 1.00 0.35 H new ATOM 0 HG2 GLN A 185 4.622 11.430 3.328 1.00 0.64 H new ATOM 0 HG3 GLN A 185 5.451 9.887 3.266 1.00 0.64 H new ATOM 0 HE21 GLN A 185 6.367 12.404 4.403 1.00 0.82 H new ATOM 0 HE22 GLN A 185 7.867 12.808 3.562 1.00 0.82 H new ATOM 779 N GLU A 186 2.023 12.147 1.012 1.00 0.29 N ATOM 780 CA GLU A 186 1.199 13.291 1.326 1.00 0.33 C ATOM 781 C GLU A 186 -0.213 12.836 1.689 1.00 0.31 C ATOM 782 O GLU A 186 -0.767 13.249 2.709 1.00 0.35 O ATOM 783 CB GLU A 186 1.163 14.252 0.143 1.00 0.37 C ATOM 784 CG GLU A 186 0.472 15.558 0.463 1.00 1.12 C ATOM 785 CD GLU A 186 1.182 16.337 1.552 1.00 1.57 C ATOM 786 OE1 GLU A 186 1.054 15.972 2.741 1.00 2.39 O ATOM 787 OE2 GLU A 186 1.894 17.303 1.222 1.00 1.79 O ATOM 0 H GLU A 186 2.328 12.092 0.040 1.00 0.29 H new ATOM 0 HA GLU A 186 1.627 13.812 2.182 1.00 0.33 H new ATOM 0 HB2 GLU A 186 2.183 14.457 -0.182 1.00 0.37 H new ATOM 0 HB3 GLU A 186 0.652 13.772 -0.692 1.00 0.37 H new ATOM 0 HG2 GLU A 186 0.418 16.167 -0.439 1.00 1.12 H new ATOM 0 HG3 GLU A 186 -0.553 15.357 0.774 1.00 1.12 H new ATOM 794 N TRP A 187 -0.786 11.994 0.833 1.00 0.26 N ATOM 795 CA TRP A 187 -2.093 11.391 1.082 1.00 0.26 C ATOM 796 C TRP A 187 -2.219 10.839 2.507 1.00 0.26 C ATOM 797 O TRP A 187 -3.204 11.116 3.196 1.00 0.28 O ATOM 798 CB TRP A 187 -2.366 10.277 0.064 1.00 0.24 C ATOM 799 CG TRP A 187 -3.642 9.536 0.329 1.00 0.23 C ATOM 800 CD1 TRP A 187 -4.905 9.957 0.042 1.00 0.30 C ATOM 801 CD2 TRP A 187 -3.777 8.248 0.940 1.00 0.20 C ATOM 802 NE1 TRP A 187 -5.815 9.016 0.446 1.00 0.28 N ATOM 803 CE2 TRP A 187 -5.151 7.961 1.004 1.00 0.21 C ATOM 804 CE3 TRP A 187 -2.873 7.316 1.444 1.00 0.23 C ATOM 805 CZ2 TRP A 187 -5.641 6.778 1.554 1.00 0.21 C ATOM 806 CZ3 TRP A 187 -3.357 6.143 1.983 1.00 0.26 C ATOM 807 CH2 TRP A 187 -4.732 5.884 2.041 1.00 0.23 C ATOM 0 H TRP A 187 -0.360 11.711 -0.049 1.00 0.26 H new ATOM 0 HA TRP A 187 -2.836 12.180 0.971 1.00 0.26 H new ATOM 0 HB2 TRP A 187 -2.405 10.709 -0.936 1.00 0.24 H new ATOM 0 HB3 TRP A 187 -1.535 9.572 0.075 1.00 0.24 H new ATOM 0 HD1 TRP A 187 -5.153 10.894 -0.434 1.00 0.30 H new ATOM 0 HE1 TRP A 187 -6.827 9.091 0.346 1.00 0.28 H new ATOM 0 HE3 TRP A 187 -1.811 7.509 1.413 1.00 0.23 H new ATOM 0 HZ2 TRP A 187 -6.701 6.576 1.593 1.00 0.21 H new ATOM 0 HZ3 TRP A 187 -2.663 5.410 2.368 1.00 0.26 H new ATOM 0 HH2 TRP A 187 -5.079 4.960 2.479 1.00 0.23 H new ATOM 818 N THR A 188 -1.227 10.073 2.957 1.00 0.25 N ATOM 819 CA THR A 188 -1.293 9.440 4.270 1.00 0.27 C ATOM 820 C THR A 188 -1.071 10.451 5.395 1.00 0.29 C ATOM 821 O THR A 188 -1.449 10.206 6.542 1.00 0.32 O ATOM 822 CB THR A 188 -0.286 8.265 4.391 1.00 0.29 C ATOM 823 OG1 THR A 188 -0.275 7.741 5.722 1.00 1.21 O ATOM 824 CG2 THR A 188 1.114 8.692 4.013 1.00 1.00 C ATOM 0 H THR A 188 -0.373 9.877 2.434 1.00 0.25 H new ATOM 0 HA THR A 188 -2.299 9.034 4.373 1.00 0.27 H new ATOM 0 HB THR A 188 -0.614 7.490 3.698 1.00 0.29 H new ATOM 0 HG1 THR A 188 0.614 7.381 5.925 1.00 1.21 H new ATOM 0 HG21 THR A 188 1.792 7.844 4.110 1.00 1.00 H new ATOM 0 HG22 THR A 188 1.121 9.046 2.982 1.00 1.00 H new ATOM 0 HG23 THR A 188 1.441 9.495 4.674 1.00 1.00 H new ATOM 832 N ARG A 189 -0.464 11.587 5.077 1.00 0.28 N ATOM 833 CA ARG A 189 -0.328 12.657 6.057 1.00 0.34 C ATOM 834 C ARG A 189 -1.663 13.366 6.245 1.00 0.36 C ATOM 835 O ARG A 189 -2.060 13.680 7.365 1.00 0.42 O ATOM 836 CB ARG A 189 0.751 13.662 5.649 1.00 0.38 C ATOM 837 CG ARG A 189 2.143 13.066 5.601 1.00 0.46 C ATOM 838 CD ARG A 189 3.222 14.137 5.594 1.00 0.63 C ATOM 839 NE ARG A 189 3.132 15.038 4.445 1.00 1.26 N ATOM 840 CZ ARG A 189 4.137 15.814 4.039 1.00 1.93 C ATOM 841 NH1 ARG A 189 5.310 15.763 4.664 1.00 2.16 N ATOM 842 NH2 ARG A 189 3.968 16.643 3.016 1.00 2.62 N ATOM 0 H ARG A 189 -0.063 11.790 4.161 1.00 0.28 H new ATOM 0 HA ARG A 189 -0.022 12.208 7.002 1.00 0.34 H new ATOM 0 HB2 ARG A 189 0.505 14.070 4.669 1.00 0.38 H new ATOM 0 HB3 ARG A 189 0.745 14.495 6.352 1.00 0.38 H new ATOM 0 HG2 ARG A 189 2.287 12.412 6.461 1.00 0.46 H new ATOM 0 HG3 ARG A 189 2.241 12.447 4.710 1.00 0.46 H new ATOM 0 HD2 ARG A 189 3.151 14.721 6.512 1.00 0.63 H new ATOM 0 HD3 ARG A 189 4.201 13.658 5.596 1.00 0.63 H new ATOM 0 HE ARG A 189 2.254 15.074 3.927 1.00 1.26 H new ATOM 0 HH11 ARG A 189 5.440 15.130 5.453 1.00 2.16 H new ATOM 0 HH12 ARG A 189 6.079 16.356 4.354 1.00 2.16 H new ATOM 0 HH21 ARG A 189 3.068 16.687 2.539 1.00 2.62 H new ATOM 0 HH22 ARG A 189 4.739 17.236 2.707 1.00 2.62 H new ATOM 856 N ALA A 190 -2.358 13.598 5.134 1.00 0.34 N ATOM 857 CA ALA A 190 -3.669 14.238 5.161 1.00 0.41 C ATOM 858 C ALA A 190 -4.744 13.292 5.682 1.00 0.34 C ATOM 859 O ALA A 190 -5.796 13.729 6.147 1.00 0.40 O ATOM 860 CB ALA A 190 -4.045 14.731 3.769 1.00 0.54 C ATOM 0 H ALA A 190 -2.032 13.351 4.200 1.00 0.34 H new ATOM 0 HA ALA A 190 -3.607 15.087 5.842 1.00 0.41 H new ATOM 0 HB1 ALA A 190 -5.025 15.206 3.804 1.00 0.54 H new ATOM 0 HB2 ALA A 190 -3.304 15.453 3.426 1.00 0.54 H new ATOM 0 HB3 ALA A 190 -4.075 13.887 3.080 1.00 0.54 H new ATOM 866 N HIS A 191 -4.489 11.992 5.587 1.00 0.36 N ATOM 867 CA HIS A 191 -5.461 10.995 6.024 1.00 0.35 C ATOM 868 C HIS A 191 -4.773 9.838 6.752 1.00 0.28 C ATOM 869 O HIS A 191 -4.826 8.703 6.285 1.00 0.33 O ATOM 870 CB HIS A 191 -6.234 10.430 4.823 1.00 0.58 C ATOM 871 CG HIS A 191 -6.855 11.457 3.934 1.00 0.49 C ATOM 872 ND1 HIS A 191 -8.063 12.056 4.204 1.00 0.53 N ATOM 873 CD2 HIS A 191 -6.424 11.990 2.767 1.00 0.91 C ATOM 874 CE1 HIS A 191 -8.347 12.911 3.241 1.00 0.81 C ATOM 875 NE2 HIS A 191 -7.371 12.891 2.357 1.00 1.04 N ATOM 0 H HIS A 191 -3.623 11.605 5.213 1.00 0.36 H new ATOM 0 HA HIS A 191 -6.151 11.492 6.706 1.00 0.35 H new ATOM 0 HB2 HIS A 191 -5.556 9.818 4.228 1.00 0.58 H new ATOM 0 HB3 HIS A 191 -7.018 9.769 5.193 1.00 0.58 H new ATOM 0 HD2 HIS A 191 -5.504 11.750 2.254 1.00 0.91 H new ATOM 0 HE1 HIS A 191 -9.233 13.526 3.186 1.00 0.81 H new ATOM 0 HE2 HIS A 191 -7.327 13.454 1.507 1.00 1.04 H new ATOM 884 N PRO A 192 -4.117 10.095 7.903 1.00 0.23 N ATOM 885 CA PRO A 192 -3.360 9.062 8.628 1.00 0.25 C ATOM 886 C PRO A 192 -4.215 7.876 9.061 1.00 0.27 C ATOM 887 O PRO A 192 -3.797 6.728 8.927 1.00 0.40 O ATOM 888 CB PRO A 192 -2.801 9.801 9.852 1.00 0.29 C ATOM 889 CG PRO A 192 -3.632 11.033 9.977 1.00 0.45 C ATOM 890 CD PRO A 192 -4.037 11.400 8.579 1.00 0.24 C ATOM 0 HA PRO A 192 -2.591 8.624 7.992 1.00 0.25 H new ATOM 0 HB2 PRO A 192 -2.871 9.186 10.749 1.00 0.29 H new ATOM 0 HB3 PRO A 192 -1.748 10.048 9.716 1.00 0.29 H new ATOM 0 HG2 PRO A 192 -4.506 10.852 10.602 1.00 0.45 H new ATOM 0 HG3 PRO A 192 -3.067 11.839 10.444 1.00 0.45 H new ATOM 0 HD2 PRO A 192 -4.993 11.923 8.560 1.00 0.24 H new ATOM 0 HD3 PRO A 192 -3.306 12.055 8.106 1.00 0.24 H new ATOM 898 N GLU A 193 -5.407 8.143 9.572 1.00 0.26 N ATOM 899 CA GLU A 193 -6.264 7.071 10.055 1.00 0.32 C ATOM 900 C GLU A 193 -6.884 6.311 8.884 1.00 0.28 C ATOM 901 O GLU A 193 -7.090 5.100 8.960 1.00 0.30 O ATOM 902 CB GLU A 193 -7.347 7.616 10.987 1.00 0.46 C ATOM 903 CG GLU A 193 -8.097 6.525 11.735 1.00 0.66 C ATOM 904 CD GLU A 193 -8.892 7.059 12.906 1.00 1.26 C ATOM 905 OE1 GLU A 193 -8.299 7.255 13.989 1.00 2.02 O ATOM 906 OE2 GLU A 193 -10.111 7.277 12.762 1.00 1.56 O ATOM 0 H GLU A 193 -5.799 9.080 9.663 1.00 0.26 H new ATOM 0 HA GLU A 193 -5.650 6.375 10.627 1.00 0.32 H new ATOM 0 HB2 GLU A 193 -6.890 8.294 11.708 1.00 0.46 H new ATOM 0 HB3 GLU A 193 -8.057 8.203 10.404 1.00 0.46 H new ATOM 0 HG2 GLU A 193 -8.771 6.016 11.046 1.00 0.66 H new ATOM 0 HG3 GLU A 193 -7.385 5.781 12.093 1.00 0.66 H new ATOM 913 N ASP A 194 -7.155 7.022 7.798 1.00 0.29 N ATOM 914 CA ASP A 194 -7.680 6.404 6.589 1.00 0.30 C ATOM 915 C ASP A 194 -6.630 5.483 6.002 1.00 0.23 C ATOM 916 O ASP A 194 -6.875 4.304 5.745 1.00 0.25 O ATOM 917 CB ASP A 194 -8.027 7.472 5.554 1.00 0.36 C ATOM 918 CG ASP A 194 -8.917 8.571 6.098 1.00 0.52 C ATOM 919 OD1 ASP A 194 -8.426 9.411 6.873 1.00 0.70 O ATOM 920 OD2 ASP A 194 -10.125 8.575 5.775 1.00 0.75 O ATOM 0 H ASP A 194 -7.019 8.031 7.730 1.00 0.29 H new ATOM 0 HA ASP A 194 -8.579 5.843 6.844 1.00 0.30 H new ATOM 0 HB2 ASP A 194 -7.105 7.915 5.177 1.00 0.36 H new ATOM 0 HB3 ASP A 194 -8.523 6.999 4.707 1.00 0.36 H new ATOM 925 N ALA A 195 -5.456 6.061 5.803 1.00 0.20 N ATOM 926 CA ALA A 195 -4.300 5.352 5.282 1.00 0.19 C ATOM 927 C ALA A 195 -3.993 4.110 6.098 1.00 0.16 C ATOM 928 O ALA A 195 -3.906 3.009 5.555 1.00 0.18 O ATOM 929 CB ALA A 195 -3.093 6.269 5.276 1.00 0.25 C ATOM 0 H ALA A 195 -5.278 7.046 6.001 1.00 0.20 H new ATOM 0 HA ALA A 195 -4.531 5.039 4.264 1.00 0.19 H new ATOM 0 HB1 ALA A 195 -2.230 5.731 4.884 1.00 0.25 H new ATOM 0 HB2 ALA A 195 -3.297 7.135 4.647 1.00 0.25 H new ATOM 0 HB3 ALA A 195 -2.883 6.601 6.293 1.00 0.25 H new ATOM 935 N ALA A 196 -3.833 4.290 7.405 1.00 0.17 N ATOM 936 CA ALA A 196 -3.476 3.192 8.290 1.00 0.20 C ATOM 937 C ALA A 196 -4.562 2.131 8.318 1.00 0.23 C ATOM 938 O ALA A 196 -4.266 0.940 8.342 1.00 0.27 O ATOM 939 CB ALA A 196 -3.189 3.710 9.689 1.00 0.21 C ATOM 0 H ALA A 196 -3.946 5.189 7.874 1.00 0.17 H new ATOM 0 HA ALA A 196 -2.570 2.726 7.902 1.00 0.20 H new ATOM 0 HB1 ALA A 196 -2.924 2.876 10.338 1.00 0.21 H new ATOM 0 HB2 ALA A 196 -2.362 4.419 9.652 1.00 0.21 H new ATOM 0 HB3 ALA A 196 -4.076 4.208 10.082 1.00 0.21 H new ATOM 945 N SER A 197 -5.820 2.548 8.298 1.00 0.22 N ATOM 946 CA SER A 197 -6.907 1.588 8.305 1.00 0.30 C ATOM 947 C SER A 197 -6.879 0.757 7.024 1.00 0.25 C ATOM 948 O SER A 197 -7.126 -0.454 7.053 1.00 0.24 O ATOM 949 CB SER A 197 -8.256 2.294 8.472 1.00 0.41 C ATOM 950 OG SER A 197 -9.310 1.361 8.644 1.00 0.96 O ATOM 0 H SER A 197 -6.107 3.527 8.277 1.00 0.22 H new ATOM 0 HA SER A 197 -6.776 0.918 9.155 1.00 0.30 H new ATOM 0 HB2 SER A 197 -8.215 2.962 9.333 1.00 0.41 H new ATOM 0 HB3 SER A 197 -8.455 2.913 7.597 1.00 0.41 H new ATOM 0 HG SER A 197 -10.158 1.841 8.750 1.00 0.96 H new ATOM 956 N LEU A 198 -6.522 1.385 5.904 1.00 0.24 N ATOM 957 CA LEU A 198 -6.442 0.699 4.628 1.00 0.22 C ATOM 958 C LEU A 198 -5.234 -0.228 4.593 1.00 0.19 C ATOM 959 O LEU A 198 -5.338 -1.379 4.187 1.00 0.20 O ATOM 960 CB LEU A 198 -6.326 1.748 3.515 1.00 0.21 C ATOM 961 CG LEU A 198 -6.075 1.211 2.104 1.00 0.22 C ATOM 962 CD1 LEU A 198 -7.258 0.407 1.605 1.00 0.26 C ATOM 963 CD2 LEU A 198 -5.764 2.353 1.148 1.00 0.24 C ATOM 0 H LEU A 198 -6.283 2.376 5.862 1.00 0.24 H new ATOM 0 HA LEU A 198 -7.338 0.095 4.484 1.00 0.22 H new ATOM 0 HB2 LEU A 198 -7.245 2.335 3.500 1.00 0.21 H new ATOM 0 HB3 LEU A 198 -5.516 2.431 3.771 1.00 0.21 H new ATOM 0 HG LEU A 198 -5.212 0.546 2.146 1.00 0.22 H new ATOM 0 HD11 LEU A 198 -7.050 0.039 0.600 1.00 0.26 H new ATOM 0 HD12 LEU A 198 -7.432 -0.437 2.272 1.00 0.26 H new ATOM 0 HD13 LEU A 198 -8.145 1.040 1.583 1.00 0.26 H new ATOM 0 HD21 LEU A 198 -5.588 1.954 0.149 1.00 0.24 H new ATOM 0 HD22 LEU A 198 -6.607 3.043 1.120 1.00 0.24 H new ATOM 0 HD23 LEU A 198 -4.874 2.881 1.490 1.00 0.24 H new ATOM 975 N LEU A 199 -4.092 0.283 5.040 1.00 0.18 N ATOM 976 CA LEU A 199 -2.848 -0.477 5.025 1.00 0.21 C ATOM 977 C LEU A 199 -2.904 -1.665 5.982 1.00 0.27 C ATOM 978 O LEU A 199 -2.122 -2.605 5.859 1.00 0.37 O ATOM 979 CB LEU A 199 -1.673 0.432 5.396 1.00 0.21 C ATOM 980 CG LEU A 199 -1.371 1.564 4.410 1.00 0.23 C ATOM 981 CD1 LEU A 199 -0.250 2.448 4.933 1.00 0.27 C ATOM 982 CD2 LEU A 199 -1.001 0.996 3.055 1.00 0.31 C ATOM 0 H LEU A 199 -4.002 1.226 5.419 1.00 0.18 H new ATOM 0 HA LEU A 199 -2.707 -0.863 4.016 1.00 0.21 H new ATOM 0 HB2 LEU A 199 -1.872 0.870 6.374 1.00 0.21 H new ATOM 0 HB3 LEU A 199 -0.779 -0.184 5.498 1.00 0.21 H new ATOM 0 HG LEU A 199 -2.268 2.173 4.303 1.00 0.23 H new ATOM 0 HD11 LEU A 199 -0.052 3.246 4.217 1.00 0.27 H new ATOM 0 HD12 LEU A 199 -0.545 2.883 5.888 1.00 0.27 H new ATOM 0 HD13 LEU A 199 0.651 1.850 5.069 1.00 0.27 H new ATOM 0 HD21 LEU A 199 -0.789 1.812 2.364 1.00 0.31 H new ATOM 0 HD22 LEU A 199 -0.118 0.365 3.154 1.00 0.31 H new ATOM 0 HD23 LEU A 199 -1.830 0.402 2.671 1.00 0.31 H new ATOM 994 N GLU A 200 -3.812 -1.621 6.948 1.00 0.27 N ATOM 995 CA GLU A 200 -3.931 -2.712 7.900 1.00 0.37 C ATOM 996 C GLU A 200 -4.821 -3.805 7.331 1.00 0.30 C ATOM 997 O GLU A 200 -4.570 -4.997 7.525 1.00 0.37 O ATOM 998 CB GLU A 200 -4.499 -2.224 9.237 1.00 0.54 C ATOM 999 CG GLU A 200 -4.214 -3.170 10.395 1.00 0.91 C ATOM 1000 CD GLU A 200 -5.088 -2.909 11.605 1.00 1.49 C ATOM 1001 OE1 GLU A 200 -4.950 -1.840 12.231 1.00 2.03 O ATOM 1002 OE2 GLU A 200 -5.922 -3.781 11.939 1.00 1.90 O ATOM 0 H GLU A 200 -4.467 -0.852 7.091 1.00 0.27 H new ATOM 0 HA GLU A 200 -2.933 -3.112 8.079 1.00 0.37 H new ATOM 0 HB2 GLU A 200 -4.079 -1.244 9.466 1.00 0.54 H new ATOM 0 HB3 GLU A 200 -5.577 -2.094 9.140 1.00 0.54 H new ATOM 0 HG2 GLU A 200 -4.362 -4.197 10.062 1.00 0.91 H new ATOM 0 HG3 GLU A 200 -3.167 -3.076 10.684 1.00 0.91 H new ATOM 1009 N LEU A 201 -5.860 -3.396 6.615 1.00 0.26 N ATOM 1010 CA LEU A 201 -6.812 -4.348 6.070 1.00 0.25 C ATOM 1011 C LEU A 201 -6.375 -4.821 4.680 1.00 0.23 C ATOM 1012 O LEU A 201 -6.786 -5.888 4.218 1.00 0.33 O ATOM 1013 CB LEU A 201 -8.216 -3.725 6.042 1.00 0.32 C ATOM 1014 CG LEU A 201 -9.356 -4.663 5.632 1.00 0.36 C ATOM 1015 CD1 LEU A 201 -9.376 -5.906 6.507 1.00 0.40 C ATOM 1016 CD2 LEU A 201 -10.688 -3.942 5.737 1.00 0.48 C ATOM 0 H LEU A 201 -6.062 -2.419 6.401 1.00 0.26 H new ATOM 0 HA LEU A 201 -6.843 -5.227 6.713 1.00 0.25 H new ATOM 0 HB2 LEU A 201 -8.436 -3.328 7.033 1.00 0.32 H new ATOM 0 HB3 LEU A 201 -8.203 -2.878 5.356 1.00 0.32 H new ATOM 0 HG LEU A 201 -9.190 -4.968 4.599 1.00 0.36 H new ATOM 0 HD11 LEU A 201 -10.194 -6.556 6.197 1.00 0.40 H new ATOM 0 HD12 LEU A 201 -8.430 -6.438 6.405 1.00 0.40 H new ATOM 0 HD13 LEU A 201 -9.518 -5.616 7.548 1.00 0.40 H new ATOM 0 HD21 LEU A 201 -11.491 -4.617 5.443 1.00 0.48 H new ATOM 0 HD22 LEU A 201 -10.845 -3.616 6.765 1.00 0.48 H new ATOM 0 HD23 LEU A 201 -10.685 -3.074 5.078 1.00 0.48 H new ATOM 1028 N CYS A 202 -5.552 -4.025 4.001 1.00 0.19 N ATOM 1029 CA CYS A 202 -4.994 -4.420 2.712 1.00 0.20 C ATOM 1030 C CYS A 202 -3.467 -4.455 2.759 1.00 0.24 C ATOM 1031 O CYS A 202 -2.810 -3.458 2.461 1.00 0.26 O ATOM 1032 CB CYS A 202 -5.437 -3.438 1.629 1.00 0.22 C ATOM 1033 SG CYS A 202 -7.230 -3.229 1.513 1.00 0.27 S ATOM 0 H CYS A 202 -5.257 -3.103 4.323 1.00 0.19 H new ATOM 0 HA CYS A 202 -5.361 -5.420 2.482 1.00 0.20 H new ATOM 0 HB2 CYS A 202 -4.980 -2.468 1.824 1.00 0.22 H new ATOM 0 HB3 CYS A 202 -5.058 -3.780 0.666 1.00 0.22 H new ATOM 0 HG CYS A 202 -7.631 -3.572 0.325 1.00 0.27 H new ATOM 1039 N PRO A 203 -2.887 -5.615 3.109 1.00 0.30 N ATOM 1040 CA PRO A 203 -1.426 -5.789 3.216 1.00 0.36 C ATOM 1041 C PRO A 203 -0.685 -5.621 1.885 1.00 0.28 C ATOM 1042 O PRO A 203 0.546 -5.609 1.859 1.00 0.28 O ATOM 1043 CB PRO A 203 -1.270 -7.226 3.729 1.00 0.49 C ATOM 1044 CG PRO A 203 -2.600 -7.587 4.291 1.00 0.74 C ATOM 1045 CD PRO A 203 -3.603 -6.848 3.458 1.00 0.38 C ATOM 0 HA PRO A 203 -0.992 -5.029 3.866 1.00 0.36 H new ATOM 0 HB2 PRO A 203 -0.986 -7.903 2.923 1.00 0.49 H new ATOM 0 HB3 PRO A 203 -0.491 -7.290 4.489 1.00 0.49 H new ATOM 0 HG2 PRO A 203 -2.767 -8.663 4.243 1.00 0.74 H new ATOM 0 HG3 PRO A 203 -2.674 -7.300 5.340 1.00 0.74 H new ATOM 0 HD2 PRO A 203 -3.889 -7.414 2.572 1.00 0.38 H new ATOM 0 HD3 PRO A 203 -4.518 -6.642 4.014 1.00 0.38 H new ATOM 1053 N GLN A 204 -1.434 -5.493 0.786 1.00 0.25 N ATOM 1054 CA GLN A 204 -0.833 -5.271 -0.528 1.00 0.26 C ATOM 1055 C GLN A 204 0.036 -4.024 -0.493 1.00 0.19 C ATOM 1056 O GLN A 204 1.258 -4.075 -0.615 1.00 0.25 O ATOM 1057 CB GLN A 204 -1.923 -5.057 -1.589 1.00 0.39 C ATOM 1058 CG GLN A 204 -1.363 -5.025 -3.004 1.00 0.36 C ATOM 1059 CD GLN A 204 -1.172 -6.422 -3.539 1.00 1.08 C ATOM 1060 OE1 GLN A 204 -0.136 -7.044 -3.332 1.00 1.65 O ATOM 1061 NE2 GLN A 204 -2.167 -6.910 -4.248 1.00 1.12 N ATOM 0 H GLN A 204 -2.453 -5.539 0.782 1.00 0.25 H new ATOM 0 HA GLN A 204 -0.237 -6.148 -0.779 1.00 0.26 H new ATOM 0 HB2 GLN A 204 -2.661 -5.855 -1.512 1.00 0.39 H new ATOM 0 HB3 GLN A 204 -2.443 -4.121 -1.387 1.00 0.39 H new ATOM 0 HG2 GLN A 204 -2.040 -4.471 -3.655 1.00 0.36 H new ATOM 0 HG3 GLN A 204 -0.410 -4.495 -3.010 1.00 0.36 H new ATOM 0 HE21 GLN A 204 -3.010 -6.355 -4.393 1.00 1.12 H new ATOM 0 HE22 GLN A 204 -2.095 -7.844 -4.652 1.00 1.12 H new ATOM 1070 N LEU A 205 -0.643 -2.917 -0.297 1.00 0.16 N ATOM 1071 CA LEU A 205 -0.052 -1.594 -0.300 1.00 0.15 C ATOM 1072 C LEU A 205 0.991 -1.434 0.815 1.00 0.18 C ATOM 1073 O LEU A 205 2.019 -0.785 0.618 1.00 0.19 O ATOM 1074 CB LEU A 205 -1.202 -0.597 -0.167 1.00 0.15 C ATOM 1075 CG LEU A 205 -0.854 0.876 -0.277 1.00 0.19 C ATOM 1076 CD1 LEU A 205 -0.073 1.148 -1.548 1.00 0.21 C ATOM 1077 CD2 LEU A 205 -2.137 1.682 -0.283 1.00 0.21 C ATOM 0 H LEU A 205 -1.649 -2.909 -0.126 1.00 0.16 H new ATOM 0 HA LEU A 205 0.495 -1.417 -1.226 1.00 0.15 H new ATOM 0 HB2 LEU A 205 -1.941 -0.828 -0.934 1.00 0.15 H new ATOM 0 HB3 LEU A 205 -1.682 -0.760 0.798 1.00 0.15 H new ATOM 0 HG LEU A 205 -0.234 1.162 0.573 1.00 0.19 H new ATOM 0 HD11 LEU A 205 0.167 2.210 -1.608 1.00 0.21 H new ATOM 0 HD12 LEU A 205 0.850 0.568 -1.539 1.00 0.21 H new ATOM 0 HD13 LEU A 205 -0.673 0.862 -2.412 1.00 0.21 H new ATOM 0 HD21 LEU A 205 -1.900 2.743 -0.362 1.00 0.21 H new ATOM 0 HD22 LEU A 205 -2.750 1.383 -1.133 1.00 0.21 H new ATOM 0 HD23 LEU A 205 -2.685 1.500 0.642 1.00 0.21 H new ATOM 1089 N SER A 206 0.690 -1.995 1.982 1.00 0.24 N ATOM 1090 CA SER A 206 1.654 -2.089 3.078 1.00 0.27 C ATOM 1091 C SER A 206 3.048 -2.513 2.578 1.00 0.22 C ATOM 1092 O SER A 206 4.038 -1.811 2.813 1.00 0.20 O ATOM 1093 CB SER A 206 1.141 -3.082 4.112 1.00 0.35 C ATOM 1094 OG SER A 206 -0.273 -3.137 4.068 1.00 0.60 O ATOM 0 H SER A 206 -0.223 -2.396 2.196 1.00 0.24 H new ATOM 0 HA SER A 206 1.758 -1.102 3.529 1.00 0.27 H new ATOM 0 HB2 SER A 206 1.558 -4.070 3.918 1.00 0.35 H new ATOM 0 HB3 SER A 206 1.471 -2.786 5.108 1.00 0.35 H new ATOM 0 HG SER A 206 -0.638 -2.881 4.941 1.00 0.60 H new ATOM 1100 N PHE A 207 3.132 -3.641 1.872 1.00 0.21 N ATOM 1101 CA PHE A 207 4.423 -4.106 1.365 1.00 0.19 C ATOM 1102 C PHE A 207 4.810 -3.411 0.061 1.00 0.18 C ATOM 1103 O PHE A 207 5.996 -3.285 -0.244 1.00 0.20 O ATOM 1104 CB PHE A 207 4.455 -5.626 1.201 1.00 0.24 C ATOM 1105 CG PHE A 207 4.969 -6.334 2.426 1.00 0.24 C ATOM 1106 CD1 PHE A 207 6.009 -5.789 3.170 1.00 0.25 C ATOM 1107 CD2 PHE A 207 4.419 -7.538 2.836 1.00 0.69 C ATOM 1108 CE1 PHE A 207 6.487 -6.432 4.295 1.00 0.26 C ATOM 1109 CE2 PHE A 207 4.896 -8.186 3.961 1.00 0.90 C ATOM 1110 CZ PHE A 207 5.932 -7.634 4.690 1.00 0.63 C ATOM 0 H PHE A 207 2.339 -4.239 1.642 1.00 0.21 H new ATOM 0 HA PHE A 207 5.166 -3.836 2.115 1.00 0.19 H new ATOM 0 HB2 PHE A 207 3.451 -5.984 0.975 1.00 0.24 H new ATOM 0 HB3 PHE A 207 5.084 -5.882 0.348 1.00 0.24 H new ATOM 0 HD1 PHE A 207 6.449 -4.851 2.865 1.00 0.25 H new ATOM 0 HD2 PHE A 207 3.609 -7.975 2.271 1.00 0.69 H new ATOM 0 HE1 PHE A 207 7.294 -5.996 4.865 1.00 0.26 H new ATOM 0 HE2 PHE A 207 4.459 -9.124 4.270 1.00 0.90 H new ATOM 0 HZ PHE A 207 6.307 -8.141 5.567 1.00 0.63 H new ATOM 1120 N VAL A 208 3.817 -2.963 -0.703 1.00 0.17 N ATOM 1121 CA VAL A 208 4.069 -2.121 -1.871 1.00 0.18 C ATOM 1122 C VAL A 208 4.956 -0.945 -1.482 1.00 0.17 C ATOM 1123 O VAL A 208 6.010 -0.717 -2.078 1.00 0.20 O ATOM 1124 CB VAL A 208 2.754 -1.575 -2.462 1.00 0.25 C ATOM 1125 CG1 VAL A 208 2.990 -0.304 -3.259 1.00 0.34 C ATOM 1126 CG2 VAL A 208 2.103 -2.613 -3.334 1.00 0.46 C ATOM 0 H VAL A 208 2.832 -3.168 -0.535 1.00 0.17 H new ATOM 0 HA VAL A 208 4.565 -2.736 -2.622 1.00 0.18 H new ATOM 0 HB VAL A 208 2.091 -1.336 -1.631 1.00 0.25 H new ATOM 0 HG11 VAL A 208 2.043 0.054 -3.662 1.00 0.34 H new ATOM 0 HG12 VAL A 208 3.420 0.458 -2.609 1.00 0.34 H new ATOM 0 HG13 VAL A 208 3.678 -0.511 -4.079 1.00 0.34 H new ATOM 0 HG21 VAL A 208 1.176 -2.214 -3.744 1.00 0.46 H new ATOM 0 HG22 VAL A 208 2.776 -2.878 -4.149 1.00 0.46 H new ATOM 0 HG23 VAL A 208 1.885 -3.501 -2.741 1.00 0.46 H new ATOM 1136 N THR A 209 4.517 -0.220 -0.462 1.00 0.18 N ATOM 1137 CA THR A 209 5.253 0.921 0.044 1.00 0.20 C ATOM 1138 C THR A 209 6.638 0.488 0.507 1.00 0.20 C ATOM 1139 O THR A 209 7.643 1.072 0.110 1.00 0.21 O ATOM 1140 CB THR A 209 4.499 1.582 1.216 1.00 0.24 C ATOM 1141 OG1 THR A 209 3.130 1.802 0.849 1.00 0.27 O ATOM 1142 CG2 THR A 209 5.144 2.909 1.596 1.00 0.28 C ATOM 0 H THR A 209 3.645 -0.408 0.033 1.00 0.18 H new ATOM 0 HA THR A 209 5.352 1.647 -0.763 1.00 0.20 H new ATOM 0 HB THR A 209 4.546 0.914 2.076 1.00 0.24 H new ATOM 0 HG1 THR A 209 2.637 0.957 0.903 1.00 0.27 H new ATOM 0 HG21 THR A 209 4.595 3.356 2.425 1.00 0.28 H new ATOM 0 HG22 THR A 209 6.178 2.738 1.896 1.00 0.28 H new ATOM 0 HG23 THR A 209 5.121 3.583 0.740 1.00 0.28 H new ATOM 1150 N ALA A 210 6.671 -0.569 1.315 1.00 0.20 N ATOM 1151 CA ALA A 210 7.918 -1.100 1.860 1.00 0.21 C ATOM 1152 C ALA A 210 8.958 -1.378 0.776 1.00 0.17 C ATOM 1153 O ALA A 210 10.090 -0.911 0.862 1.00 0.18 O ATOM 1154 CB ALA A 210 7.635 -2.367 2.645 1.00 0.26 C ATOM 0 H ALA A 210 5.838 -1.079 1.609 1.00 0.20 H new ATOM 0 HA ALA A 210 8.337 -0.339 2.518 1.00 0.21 H new ATOM 0 HB1 ALA A 210 8.568 -2.760 3.050 1.00 0.26 H new ATOM 0 HB2 ALA A 210 6.950 -2.143 3.463 1.00 0.26 H new ATOM 0 HB3 ALA A 210 7.184 -3.110 1.987 1.00 0.26 H new ATOM 1160 N GLU A 211 8.564 -2.125 -0.249 1.00 0.19 N ATOM 1161 CA GLU A 211 9.483 -2.527 -1.308 1.00 0.20 C ATOM 1162 C GLU A 211 9.993 -1.307 -2.081 1.00 0.18 C ATOM 1163 O GLU A 211 11.178 -1.224 -2.415 1.00 0.22 O ATOM 1164 CB GLU A 211 8.783 -3.506 -2.250 1.00 0.28 C ATOM 1165 CG GLU A 211 9.716 -4.247 -3.200 1.00 1.01 C ATOM 1166 CD GLU A 211 10.627 -5.227 -2.485 1.00 1.30 C ATOM 1167 OE1 GLU A 211 10.151 -5.935 -1.569 1.00 1.63 O ATOM 1168 OE2 GLU A 211 11.833 -5.270 -2.813 1.00 1.87 O ATOM 0 H GLU A 211 7.610 -2.466 -0.369 1.00 0.19 H new ATOM 0 HA GLU A 211 10.345 -3.019 -0.857 1.00 0.20 H new ATOM 0 HB2 GLU A 211 8.237 -4.237 -1.653 1.00 0.28 H new ATOM 0 HB3 GLU A 211 8.045 -2.960 -2.838 1.00 0.28 H new ATOM 0 HG2 GLU A 211 9.122 -4.784 -3.940 1.00 1.01 H new ATOM 0 HG3 GLU A 211 10.324 -3.523 -3.743 1.00 1.01 H new ATOM 1175 N LEU A 212 9.103 -0.350 -2.349 1.00 0.17 N ATOM 1176 CA LEU A 212 9.488 0.875 -3.045 1.00 0.18 C ATOM 1177 C LEU A 212 10.427 1.716 -2.179 1.00 0.18 C ATOM 1178 O LEU A 212 11.297 2.426 -2.686 1.00 0.22 O ATOM 1179 CB LEU A 212 8.246 1.684 -3.434 1.00 0.18 C ATOM 1180 CG LEU A 212 7.313 1.003 -4.434 1.00 0.18 C ATOM 1181 CD1 LEU A 212 6.054 1.831 -4.638 1.00 0.19 C ATOM 1182 CD2 LEU A 212 8.027 0.789 -5.761 1.00 0.20 C ATOM 0 H LEU A 212 8.116 -0.400 -2.096 1.00 0.17 H new ATOM 0 HA LEU A 212 10.019 0.599 -3.956 1.00 0.18 H new ATOM 0 HB2 LEU A 212 7.681 1.909 -2.530 1.00 0.18 H new ATOM 0 HB3 LEU A 212 8.569 2.637 -3.854 1.00 0.18 H new ATOM 0 HG LEU A 212 7.025 0.032 -4.032 1.00 0.18 H new ATOM 0 HD11 LEU A 212 5.401 1.331 -5.353 1.00 0.19 H new ATOM 0 HD12 LEU A 212 5.533 1.941 -3.687 1.00 0.19 H new ATOM 0 HD13 LEU A 212 6.324 2.815 -5.020 1.00 0.19 H new ATOM 0 HD21 LEU A 212 7.350 0.303 -6.464 1.00 0.20 H new ATOM 0 HD22 LEU A 212 8.340 1.752 -6.165 1.00 0.20 H new ATOM 0 HD23 LEU A 212 8.903 0.159 -5.606 1.00 0.20 H new ATOM 1194 N LEU A 213 10.244 1.625 -0.871 1.00 0.16 N ATOM 1195 CA LEU A 213 11.137 2.273 0.084 1.00 0.16 C ATOM 1196 C LEU A 213 12.527 1.642 0.032 1.00 0.17 C ATOM 1197 O LEU A 213 13.542 2.332 0.130 1.00 0.23 O ATOM 1198 CB LEU A 213 10.580 2.155 1.506 1.00 0.17 C ATOM 1199 CG LEU A 213 9.246 2.855 1.759 1.00 0.20 C ATOM 1200 CD1 LEU A 213 8.740 2.534 3.157 1.00 0.22 C ATOM 1201 CD2 LEU A 213 9.392 4.356 1.579 1.00 0.24 C ATOM 0 H LEU A 213 9.479 1.105 -0.441 1.00 0.16 H new ATOM 0 HA LEU A 213 11.211 3.326 -0.186 1.00 0.16 H new ATOM 0 HB2 LEU A 213 10.464 1.098 1.744 1.00 0.17 H new ATOM 0 HB3 LEU A 213 11.318 2.559 2.199 1.00 0.17 H new ATOM 0 HG LEU A 213 8.519 2.491 1.034 1.00 0.20 H new ATOM 0 HD11 LEU A 213 7.789 3.039 3.325 1.00 0.22 H new ATOM 0 HD12 LEU A 213 8.602 1.457 3.256 1.00 0.22 H new ATOM 0 HD13 LEU A 213 9.467 2.875 3.894 1.00 0.22 H new ATOM 0 HD21 LEU A 213 8.433 4.840 1.763 1.00 0.24 H new ATOM 0 HD22 LEU A 213 10.131 4.737 2.284 1.00 0.24 H new ATOM 0 HD23 LEU A 213 9.717 4.570 0.561 1.00 0.24 H new ATOM 1213 N LEU A 214 12.557 0.326 -0.128 1.00 0.18 N ATOM 1214 CA LEU A 214 13.808 -0.423 -0.166 1.00 0.22 C ATOM 1215 C LEU A 214 14.630 -0.053 -1.396 1.00 0.27 C ATOM 1216 O LEU A 214 15.849 0.110 -1.315 1.00 0.36 O ATOM 1217 CB LEU A 214 13.526 -1.931 -0.164 1.00 0.20 C ATOM 1218 CG LEU A 214 12.701 -2.443 1.019 1.00 0.23 C ATOM 1219 CD1 LEU A 214 12.442 -3.934 0.883 1.00 0.25 C ATOM 1220 CD2 LEU A 214 13.407 -2.144 2.331 1.00 0.32 C ATOM 0 H LEU A 214 11.722 -0.250 -0.235 1.00 0.18 H new ATOM 0 HA LEU A 214 14.382 -0.164 0.724 1.00 0.22 H new ATOM 0 HB2 LEU A 214 13.005 -2.187 -1.086 1.00 0.20 H new ATOM 0 HB3 LEU A 214 14.478 -2.462 -0.178 1.00 0.20 H new ATOM 0 HG LEU A 214 11.742 -1.925 1.018 1.00 0.23 H new ATOM 0 HD11 LEU A 214 11.854 -4.280 1.733 1.00 0.25 H new ATOM 0 HD12 LEU A 214 11.894 -4.125 -0.039 1.00 0.25 H new ATOM 0 HD13 LEU A 214 13.392 -4.468 0.858 1.00 0.25 H new ATOM 0 HD21 LEU A 214 12.805 -2.515 3.161 1.00 0.32 H new ATOM 0 HD22 LEU A 214 14.380 -2.634 2.340 1.00 0.32 H new ATOM 0 HD23 LEU A 214 13.542 -1.067 2.434 1.00 0.32 H new ATOM 1232 N THR A 215 13.959 0.097 -2.532 1.00 0.34 N ATOM 1233 CA THR A 215 14.652 0.369 -3.783 1.00 0.43 C ATOM 1234 C THR A 215 15.198 1.801 -3.847 1.00 0.39 C ATOM 1235 O THR A 215 16.266 2.019 -4.423 1.00 0.42 O ATOM 1236 CB THR A 215 13.771 0.068 -5.022 1.00 0.60 C ATOM 1237 OG1 THR A 215 14.423 0.511 -6.220 1.00 1.48 O ATOM 1238 CG2 THR A 215 12.412 0.726 -4.910 1.00 0.55 C ATOM 0 H THR A 215 12.944 0.035 -2.612 1.00 0.34 H new ATOM 0 HA THR A 215 15.502 -0.313 -3.805 1.00 0.43 H new ATOM 0 HB THR A 215 13.626 -1.011 -5.066 1.00 0.60 H new ATOM 0 HG1 THR A 215 14.037 0.048 -6.993 1.00 1.48 H new ATOM 0 HG21 THR A 215 11.821 0.494 -5.796 1.00 0.55 H new ATOM 0 HG22 THR A 215 11.899 0.353 -4.024 1.00 0.55 H new ATOM 0 HG23 THR A 215 12.536 1.806 -4.830 1.00 0.55 H new ATOM 1246 N ASN A 216 14.486 2.781 -3.277 1.00 0.39 N ATOM 1247 CA ASN A 216 15.005 4.142 -3.245 1.00 0.44 C ATOM 1248 C ASN A 216 16.035 4.311 -2.128 1.00 0.39 C ATOM 1249 O ASN A 216 16.880 5.205 -2.183 1.00 0.50 O ATOM 1250 CB ASN A 216 13.868 5.174 -3.142 1.00 0.51 C ATOM 1251 CG ASN A 216 13.056 5.113 -1.857 1.00 1.05 C ATOM 1252 OD1 ASN A 216 13.576 4.877 -0.773 1.00 1.85 O ATOM 1253 ND2 ASN A 216 11.758 5.329 -1.982 1.00 1.13 N ATOM 0 H ASN A 216 13.571 2.657 -2.843 1.00 0.39 H new ATOM 0 HA ASN A 216 15.518 4.328 -4.189 1.00 0.44 H new ATOM 0 HB2 ASN A 216 14.295 6.172 -3.237 1.00 0.51 H new ATOM 0 HB3 ASN A 216 13.194 5.034 -3.987 1.00 0.51 H new ATOM 0 HD21 ASN A 216 11.155 5.302 -1.160 1.00 1.13 H new ATOM 0 HD22 ASN A 216 11.359 5.523 -2.901 1.00 1.13 H new ATOM 1260 N GLY A 217 15.964 3.446 -1.121 1.00 0.29 N ATOM 1261 CA GLY A 217 17.027 3.361 -0.133 1.00 0.26 C ATOM 1262 C GLY A 217 16.754 4.137 1.138 1.00 0.31 C ATOM 1263 O GLY A 217 17.479 3.976 2.123 1.00 0.40 O ATOM 0 H GLY A 217 15.188 2.801 -0.970 1.00 0.29 H new ATOM 0 HA2 GLY A 217 17.189 2.314 0.121 1.00 0.26 H new ATOM 0 HA3 GLY A 217 17.952 3.728 -0.578 1.00 0.26 H new ATOM 1267 N ILE A 218 15.722 4.977 1.127 1.00 0.42 N ATOM 1268 CA ILE A 218 15.386 5.785 2.300 1.00 0.55 C ATOM 1269 C ILE A 218 15.151 4.893 3.514 1.00 0.45 C ATOM 1270 O ILE A 218 15.772 5.070 4.566 1.00 0.55 O ATOM 1271 CB ILE A 218 14.131 6.654 2.056 1.00 0.76 C ATOM 1272 CG1 ILE A 218 14.313 7.507 0.797 1.00 1.00 C ATOM 1273 CG2 ILE A 218 13.843 7.536 3.266 1.00 0.89 C ATOM 1274 CD1 ILE A 218 15.579 8.335 0.793 1.00 2.21 C ATOM 0 H ILE A 218 15.107 5.117 0.326 1.00 0.42 H new ATOM 0 HA ILE A 218 16.232 6.446 2.487 1.00 0.55 H new ATOM 0 HB ILE A 218 13.277 5.994 1.907 1.00 0.76 H new ATOM 0 HG12 ILE A 218 14.316 6.853 -0.075 1.00 1.00 H new ATOM 0 HG13 ILE A 218 13.456 8.172 0.694 1.00 1.00 H new ATOM 0 HG21 ILE A 218 12.956 8.139 3.073 1.00 0.89 H new ATOM 0 HG22 ILE A 218 13.672 6.909 4.141 1.00 0.89 H new ATOM 0 HG23 ILE A 218 14.695 8.191 3.450 1.00 0.89 H new ATOM 0 HD11 ILE A 218 15.635 8.910 -0.131 1.00 2.21 H new ATOM 0 HD12 ILE A 218 15.571 9.016 1.644 1.00 2.21 H new ATOM 0 HD13 ILE A 218 16.445 7.676 0.863 1.00 2.21 H new ATOM 1286 N CYS A 219 14.272 3.925 3.353 1.00 0.39 N ATOM 1287 CA CYS A 219 14.007 2.963 4.403 1.00 0.42 C ATOM 1288 C CYS A 219 14.507 1.593 3.968 1.00 0.35 C ATOM 1289 O CYS A 219 14.392 1.221 2.803 1.00 0.34 O ATOM 1290 CB CYS A 219 12.511 2.914 4.726 1.00 0.53 C ATOM 1291 SG CYS A 219 11.778 4.530 5.079 1.00 0.86 S ATOM 0 H CYS A 219 13.727 3.784 2.502 1.00 0.39 H new ATOM 0 HA CYS A 219 14.534 3.266 5.308 1.00 0.42 H new ATOM 0 HB2 CYS A 219 11.983 2.464 3.885 1.00 0.53 H new ATOM 0 HB3 CYS A 219 12.357 2.262 5.586 1.00 0.53 H new ATOM 0 HG CYS A 219 11.385 4.567 6.318 1.00 0.86 H new ATOM 1297 N LYS A 220 15.078 0.856 4.898 1.00 0.39 N ATOM 1298 CA LYS A 220 15.623 -0.454 4.603 1.00 0.42 C ATOM 1299 C LYS A 220 14.817 -1.511 5.343 1.00 0.36 C ATOM 1300 O LYS A 220 13.916 -1.167 6.105 1.00 0.31 O ATOM 1301 CB LYS A 220 17.101 -0.502 4.995 1.00 0.54 C ATOM 1302 CG LYS A 220 17.967 0.450 4.174 1.00 0.63 C ATOM 1303 CD LYS A 220 19.100 1.049 4.996 1.00 1.57 C ATOM 1304 CE LYS A 220 18.578 2.032 6.038 1.00 2.57 C ATOM 1305 NZ LYS A 220 17.879 3.188 5.415 1.00 3.40 N ATOM 0 H LYS A 220 15.177 1.144 5.871 1.00 0.39 H new ATOM 0 HA LYS A 220 15.555 -0.655 3.534 1.00 0.42 H new ATOM 0 HB2 LYS A 220 17.199 -0.254 6.052 1.00 0.54 H new ATOM 0 HB3 LYS A 220 17.471 -1.520 4.871 1.00 0.54 H new ATOM 0 HG2 LYS A 220 18.383 -0.085 3.320 1.00 0.63 H new ATOM 0 HG3 LYS A 220 17.346 1.252 3.776 1.00 0.63 H new ATOM 0 HD2 LYS A 220 19.652 0.251 5.492 1.00 1.57 H new ATOM 0 HD3 LYS A 220 19.801 1.557 4.334 1.00 1.57 H new ATOM 0 HE2 LYS A 220 17.895 1.516 6.712 1.00 2.57 H new ATOM 0 HE3 LYS A 220 19.409 2.394 6.643 1.00 2.57 H new ATOM 0 HZ1 LYS A 220 17.796 3.958 6.109 1.00 3.40 H new ATOM 0 HZ2 LYS A 220 18.422 3.520 4.592 1.00 3.40 H new ATOM 0 HZ3 LYS A 220 16.930 2.895 5.108 1.00 3.40 H new ATOM 1319 N VAL A 221 15.117 -2.785 5.122 1.00 0.40 N ATOM 1320 CA VAL A 221 14.345 -3.858 5.742 1.00 0.41 C ATOM 1321 C VAL A 221 14.416 -3.748 7.266 1.00 0.40 C ATOM 1322 O VAL A 221 13.432 -3.978 7.978 1.00 0.39 O ATOM 1323 CB VAL A 221 14.846 -5.251 5.298 1.00 0.50 C ATOM 1324 CG1 VAL A 221 13.965 -6.345 5.882 1.00 0.55 C ATOM 1325 CG2 VAL A 221 14.894 -5.354 3.778 1.00 0.55 C ATOM 0 H VAL A 221 15.881 -3.100 4.524 1.00 0.40 H new ATOM 0 HA VAL A 221 13.311 -3.749 5.415 1.00 0.41 H new ATOM 0 HB VAL A 221 15.859 -5.384 5.677 1.00 0.50 H new ATOM 0 HG11 VAL A 221 14.332 -7.319 5.559 1.00 0.55 H new ATOM 0 HG12 VAL A 221 13.990 -6.290 6.970 1.00 0.55 H new ATOM 0 HG13 VAL A 221 12.940 -6.211 5.536 1.00 0.55 H new ATOM 0 HG21 VAL A 221 15.250 -6.344 3.491 1.00 0.55 H new ATOM 0 HG22 VAL A 221 13.895 -5.195 3.371 1.00 0.55 H new ATOM 0 HG23 VAL A 221 15.571 -4.597 3.383 1.00 0.55 H new ATOM 1335 N ASP A 222 15.579 -3.338 7.746 1.00 0.44 N ATOM 1336 CA ASP A 222 15.819 -3.195 9.176 1.00 0.50 C ATOM 1337 C ASP A 222 14.971 -2.062 9.763 1.00 0.42 C ATOM 1338 O ASP A 222 14.729 -2.022 10.967 1.00 0.43 O ATOM 1339 CB ASP A 222 17.304 -2.933 9.424 1.00 0.68 C ATOM 1340 CG ASP A 222 17.724 -3.222 10.852 1.00 1.28 C ATOM 1341 OD1 ASP A 222 17.722 -4.402 11.256 1.00 2.02 O ATOM 1342 OD2 ASP A 222 18.034 -2.259 11.589 1.00 1.91 O ATOM 0 H ASP A 222 16.379 -3.096 7.162 1.00 0.44 H new ATOM 0 HA ASP A 222 15.530 -4.121 9.673 1.00 0.50 H new ATOM 0 HB2 ASP A 222 17.895 -3.548 8.745 1.00 0.68 H new ATOM 0 HB3 ASP A 222 17.529 -1.893 9.188 1.00 0.68 H new ATOM 1347 N ASP A 223 14.513 -1.154 8.898 1.00 0.38 N ATOM 1348 CA ASP A 223 13.639 -0.055 9.312 1.00 0.37 C ATOM 1349 C ASP A 223 12.182 -0.497 9.259 1.00 0.30 C ATOM 1350 O ASP A 223 11.298 0.159 9.809 1.00 0.31 O ATOM 1351 CB ASP A 223 13.813 1.170 8.402 1.00 0.44 C ATOM 1352 CG ASP A 223 15.232 1.701 8.352 1.00 0.52 C ATOM 1353 OD1 ASP A 223 15.599 2.494 9.244 1.00 0.59 O ATOM 1354 OD2 ASP A 223 15.991 1.303 7.443 1.00 0.61 O ATOM 0 H ASP A 223 14.734 -1.159 7.902 1.00 0.38 H new ATOM 0 HA ASP A 223 13.914 0.217 10.331 1.00 0.37 H new ATOM 0 HB2 ASP A 223 13.498 0.908 7.392 1.00 0.44 H new ATOM 0 HB3 ASP A 223 13.150 1.964 8.747 1.00 0.44 H new ATOM 1359 N LEU A 224 11.938 -1.623 8.598 1.00 0.28 N ATOM 1360 CA LEU A 224 10.581 -2.095 8.367 1.00 0.28 C ATOM 1361 C LEU A 224 10.121 -3.016 9.489 1.00 0.28 C ATOM 1362 O LEU A 224 8.937 -3.093 9.794 1.00 0.26 O ATOM 1363 CB LEU A 224 10.488 -2.825 7.025 1.00 0.35 C ATOM 1364 CG LEU A 224 10.815 -1.978 5.794 1.00 0.39 C ATOM 1365 CD1 LEU A 224 10.647 -2.805 4.530 1.00 0.49 C ATOM 1366 CD2 LEU A 224 9.931 -0.739 5.752 1.00 0.41 C ATOM 0 H LEU A 224 12.665 -2.226 8.213 1.00 0.28 H new ATOM 0 HA LEU A 224 9.926 -1.224 8.345 1.00 0.28 H new ATOM 0 HB2 LEU A 224 11.165 -3.679 7.048 1.00 0.35 H new ATOM 0 HB3 LEU A 224 9.478 -3.221 6.915 1.00 0.35 H new ATOM 0 HG LEU A 224 11.853 -1.652 5.857 1.00 0.39 H new ATOM 0 HD11 LEU A 224 10.882 -2.192 3.660 1.00 0.49 H new ATOM 0 HD12 LEU A 224 11.320 -3.661 4.563 1.00 0.49 H new ATOM 0 HD13 LEU A 224 9.617 -3.156 4.459 1.00 0.49 H new ATOM 0 HD21 LEU A 224 10.176 -0.147 4.870 1.00 0.41 H new ATOM 0 HD22 LEU A 224 8.884 -1.040 5.707 1.00 0.41 H new ATOM 0 HD23 LEU A 224 10.099 -0.142 6.648 1.00 0.41 H new ATOM 1378 N ILE A 225 11.056 -3.723 10.099 1.00 0.37 N ATOM 1379 CA ILE A 225 10.726 -4.620 11.208 1.00 0.42 C ATOM 1380 C ILE A 225 10.200 -3.870 12.443 1.00 0.40 C ATOM 1381 O ILE A 225 9.343 -4.396 13.142 1.00 0.48 O ATOM 1382 CB ILE A 225 11.916 -5.511 11.598 1.00 0.49 C ATOM 1383 CG1 ILE A 225 12.622 -5.988 10.329 1.00 0.56 C ATOM 1384 CG2 ILE A 225 11.434 -6.695 12.429 1.00 0.71 C ATOM 1385 CD1 ILE A 225 13.540 -7.174 10.530 1.00 0.59 C ATOM 0 H ILE A 225 12.045 -3.699 9.852 1.00 0.37 H new ATOM 0 HA ILE A 225 9.921 -5.257 10.842 1.00 0.42 H new ATOM 0 HB ILE A 225 12.621 -4.940 12.202 1.00 0.49 H new ATOM 0 HG12 ILE A 225 11.869 -6.249 9.586 1.00 0.56 H new ATOM 0 HG13 ILE A 225 13.202 -5.161 9.918 1.00 0.56 H new ATOM 0 HG21 ILE A 225 12.285 -7.320 12.700 1.00 0.71 H new ATOM 0 HG22 ILE A 225 10.949 -6.331 13.334 1.00 0.71 H new ATOM 0 HG23 ILE A 225 10.723 -7.282 11.848 1.00 0.71 H new ATOM 0 HD11 ILE A 225 13.998 -7.445 9.579 1.00 0.59 H new ATOM 0 HD12 ILE A 225 14.319 -6.914 11.247 1.00 0.59 H new ATOM 0 HD13 ILE A 225 12.965 -8.019 10.909 1.00 0.59 H new ATOM 1397 N PRO A 226 10.698 -2.654 12.767 1.00 0.36 N ATOM 1398 CA PRO A 226 10.042 -1.797 13.765 1.00 0.39 C ATOM 1399 C PRO A 226 8.562 -1.572 13.442 1.00 0.38 C ATOM 1400 O PRO A 226 7.736 -1.385 14.336 1.00 0.52 O ATOM 1401 CB PRO A 226 10.817 -0.483 13.671 1.00 0.43 C ATOM 1402 CG PRO A 226 12.167 -0.879 13.191 1.00 0.44 C ATOM 1403 CD PRO A 226 11.953 -2.053 12.274 1.00 0.37 C ATOM 0 HA PRO A 226 10.056 -2.240 14.761 1.00 0.39 H new ATOM 0 HB2 PRO A 226 10.338 0.211 12.980 1.00 0.43 H new ATOM 0 HB3 PRO A 226 10.871 0.016 14.639 1.00 0.43 H new ATOM 0 HG2 PRO A 226 12.651 -0.056 12.665 1.00 0.44 H new ATOM 0 HG3 PRO A 226 12.814 -1.149 14.025 1.00 0.44 H new ATOM 0 HD2 PRO A 226 11.866 -1.739 11.234 1.00 0.37 H new ATOM 0 HD3 PRO A 226 12.783 -2.758 12.325 1.00 0.37 H new ATOM 1411 N LEU A 227 8.235 -1.603 12.151 1.00 0.29 N ATOM 1412 CA LEU A 227 6.853 -1.484 11.705 1.00 0.35 C ATOM 1413 C LEU A 227 6.135 -2.813 11.893 1.00 0.43 C ATOM 1414 O LEU A 227 4.944 -2.855 12.180 1.00 0.70 O ATOM 1415 CB LEU A 227 6.791 -1.088 10.229 1.00 0.33 C ATOM 1416 CG LEU A 227 7.577 0.156 9.842 1.00 0.31 C ATOM 1417 CD1 LEU A 227 7.463 0.380 8.349 1.00 0.33 C ATOM 1418 CD2 LEU A 227 7.068 1.360 10.609 1.00 0.37 C ATOM 0 H LEU A 227 8.912 -1.710 11.396 1.00 0.29 H new ATOM 0 HA LEU A 227 6.368 -0.710 12.300 1.00 0.35 H new ATOM 0 HB2 LEU A 227 7.155 -1.925 9.633 1.00 0.33 H new ATOM 0 HB3 LEU A 227 5.747 -0.934 9.958 1.00 0.33 H new ATOM 0 HG LEU A 227 8.627 0.015 10.097 1.00 0.31 H new ATOM 0 HD11 LEU A 227 8.026 1.271 8.071 1.00 0.33 H new ATOM 0 HD12 LEU A 227 7.866 -0.484 7.820 1.00 0.33 H new ATOM 0 HD13 LEU A 227 6.415 0.514 8.080 1.00 0.33 H new ATOM 0 HD21 LEU A 227 7.640 2.243 10.322 1.00 0.37 H new ATOM 0 HD22 LEU A 227 6.015 1.519 10.379 1.00 0.37 H new ATOM 0 HD23 LEU A 227 7.183 1.185 11.679 1.00 0.37 H new ATOM 1430 N ALA A 228 6.881 -3.900 11.719 1.00 0.54 N ATOM 1431 CA ALA A 228 6.337 -5.244 11.863 1.00 0.66 C ATOM 1432 C ALA A 228 6.232 -5.616 13.336 1.00 0.73 C ATOM 1433 O ALA A 228 7.226 -5.933 13.991 1.00 1.47 O ATOM 1434 CB ALA A 228 7.197 -6.252 11.115 1.00 0.76 C ATOM 0 H ALA A 228 7.871 -3.874 11.476 1.00 0.54 H new ATOM 0 HA ALA A 228 5.337 -5.262 11.430 1.00 0.66 H new ATOM 0 HB1 ALA A 228 6.775 -7.250 11.234 1.00 0.76 H new ATOM 0 HB2 ALA A 228 7.223 -5.993 10.056 1.00 0.76 H new ATOM 0 HB3 ALA A 228 8.210 -6.236 11.518 1.00 0.76 H new ATOM 1441 N GLU B 630 -9.910 9.658 -2.038 1.00 1.19 N ATOM 1442 CA GLU B 630 -9.177 10.083 -3.230 1.00 0.73 C ATOM 1443 C GLU B 630 -7.869 9.313 -3.387 1.00 0.58 C ATOM 1444 O GLU B 630 -6.778 9.880 -3.280 1.00 0.83 O ATOM 1445 CB GLU B 630 -8.913 11.592 -3.196 1.00 1.57 C ATOM 1446 CG GLU B 630 -10.181 12.430 -3.172 1.00 2.16 C ATOM 1447 CD GLU B 630 -11.130 12.077 -4.298 1.00 2.88 C ATOM 1448 OE1 GLU B 630 -11.926 11.129 -4.138 1.00 3.66 O ATOM 1449 OE2 GLU B 630 -11.083 12.741 -5.353 1.00 3.07 O ATOM 0 HA GLU B 630 -9.800 9.859 -4.096 1.00 0.73 H new ATOM 0 HB2 GLU B 630 -8.314 11.828 -2.316 1.00 1.57 H new ATOM 0 HB3 GLU B 630 -8.321 11.869 -4.068 1.00 1.57 H new ATOM 0 HG2 GLU B 630 -10.687 12.290 -2.217 1.00 2.16 H new ATOM 0 HG3 GLU B 630 -9.917 13.485 -3.241 1.00 2.16 H new ATOM 1455 N LEU B 631 -7.988 8.014 -3.633 1.00 0.48 N ATOM 1456 CA LEU B 631 -6.824 7.172 -3.858 1.00 0.35 C ATOM 1457 C LEU B 631 -6.194 7.465 -5.209 1.00 0.41 C ATOM 1458 O LEU B 631 -6.869 7.459 -6.238 1.00 0.51 O ATOM 1459 CB LEU B 631 -7.197 5.696 -3.786 1.00 0.31 C ATOM 1460 CG LEU B 631 -7.238 5.105 -2.382 1.00 0.30 C ATOM 1461 CD1 LEU B 631 -7.685 3.656 -2.436 1.00 0.37 C ATOM 1462 CD2 LEU B 631 -5.871 5.200 -1.728 1.00 0.27 C ATOM 0 H LEU B 631 -8.880 7.522 -3.681 1.00 0.48 H new ATOM 0 HA LEU B 631 -6.103 7.397 -3.072 1.00 0.35 H new ATOM 0 HB2 LEU B 631 -8.175 5.562 -4.248 1.00 0.31 H new ATOM 0 HB3 LEU B 631 -6.483 5.128 -4.381 1.00 0.31 H new ATOM 0 HG LEU B 631 -7.952 5.675 -1.788 1.00 0.30 H new ATOM 0 HD11 LEU B 631 -7.710 3.245 -1.427 1.00 0.37 H new ATOM 0 HD12 LEU B 631 -8.681 3.599 -2.876 1.00 0.37 H new ATOM 0 HD13 LEU B 631 -6.986 3.082 -3.044 1.00 0.37 H new ATOM 0 HD21 LEU B 631 -5.917 4.774 -0.726 1.00 0.27 H new ATOM 0 HD22 LEU B 631 -5.143 4.649 -2.324 1.00 0.27 H new ATOM 0 HD23 LEU B 631 -5.570 6.246 -1.664 1.00 0.27 H new ATOM 1474 N PRO B 632 -4.888 7.737 -5.208 1.00 0.41 N ATOM 1475 CA PRO B 632 -4.126 8.002 -6.427 1.00 0.52 C ATOM 1476 C PRO B 632 -4.212 6.880 -7.449 1.00 0.48 C ATOM 1477 O PRO B 632 -4.210 5.693 -7.112 1.00 0.46 O ATOM 1478 CB PRO B 632 -2.697 8.119 -5.930 1.00 0.70 C ATOM 1479 CG PRO B 632 -2.829 8.553 -4.512 1.00 0.56 C ATOM 1480 CD PRO B 632 -4.047 7.841 -4.001 1.00 0.41 C ATOM 0 HA PRO B 632 -4.507 8.885 -6.940 1.00 0.52 H new ATOM 0 HB2 PRO B 632 -2.171 7.167 -6.006 1.00 0.70 H new ATOM 0 HB3 PRO B 632 -2.131 8.844 -6.516 1.00 0.70 H new ATOM 0 HG2 PRO B 632 -1.944 8.287 -3.934 1.00 0.56 H new ATOM 0 HG3 PRO B 632 -2.944 9.634 -4.439 1.00 0.56 H new ATOM 0 HD2 PRO B 632 -3.802 6.861 -3.592 1.00 0.41 H new ATOM 0 HD3 PRO B 632 -4.542 8.402 -3.209 1.00 0.41 H new ATOM 1488 N THR B 633 -4.286 7.304 -8.700 1.00 0.55 N ATOM 1489 CA THR B 633 -4.345 6.410 -9.850 1.00 0.66 C ATOM 1490 C THR B 633 -3.228 5.366 -9.835 1.00 0.56 C ATOM 1491 O THR B 633 -3.465 4.190 -10.118 1.00 0.55 O ATOM 1492 CB THR B 633 -4.284 7.219 -11.161 1.00 0.91 C ATOM 1493 OG1 THR B 633 -3.272 8.239 -11.073 1.00 1.82 O ATOM 1494 CG2 THR B 633 -5.626 7.868 -11.456 1.00 1.32 C ATOM 0 H THR B 633 -4.307 8.292 -8.951 1.00 0.55 H new ATOM 0 HA THR B 633 -5.294 5.877 -9.789 1.00 0.66 H new ATOM 0 HB THR B 633 -4.036 6.531 -11.969 1.00 0.91 H new ATOM 0 HG1 THR B 633 -2.574 7.954 -10.448 1.00 1.82 H new ATOM 0 HG21 THR B 633 -5.560 8.434 -12.385 1.00 1.32 H new ATOM 0 HG22 THR B 633 -6.390 7.096 -11.554 1.00 1.32 H new ATOM 0 HG23 THR B 633 -5.892 8.540 -10.640 1.00 1.32 H new ATOM 1502 N GLU B 634 -2.015 5.807 -9.502 1.00 0.55 N ATOM 1503 CA GLU B 634 -0.859 4.923 -9.418 1.00 0.54 C ATOM 1504 C GLU B 634 -1.083 3.840 -8.367 1.00 0.43 C ATOM 1505 O GLU B 634 -0.693 2.694 -8.559 1.00 0.45 O ATOM 1506 CB GLU B 634 0.418 5.717 -9.096 1.00 0.62 C ATOM 1507 CG GLU B 634 0.836 6.695 -10.191 1.00 1.26 C ATOM 1508 CD GLU B 634 0.165 8.058 -10.092 1.00 1.30 C ATOM 1509 OE1 GLU B 634 -0.987 8.141 -9.610 1.00 1.65 O ATOM 1510 OE2 GLU B 634 0.798 9.063 -10.476 1.00 1.70 O ATOM 0 H GLU B 634 -1.809 6.782 -9.284 1.00 0.55 H new ATOM 0 HA GLU B 634 -0.732 4.446 -10.390 1.00 0.54 H new ATOM 0 HB2 GLU B 634 0.265 6.270 -8.169 1.00 0.62 H new ATOM 0 HB3 GLU B 634 1.234 5.016 -8.919 1.00 0.62 H new ATOM 0 HG2 GLU B 634 1.917 6.830 -10.151 1.00 1.26 H new ATOM 0 HG3 GLU B 634 0.605 6.257 -11.162 1.00 1.26 H new ATOM 1517 N VAL B 635 -1.728 4.212 -7.262 1.00 0.33 N ATOM 1518 CA VAL B 635 -2.000 3.265 -6.183 1.00 0.28 C ATOM 1519 C VAL B 635 -2.940 2.155 -6.639 1.00 0.27 C ATOM 1520 O VAL B 635 -2.586 0.980 -6.566 1.00 0.28 O ATOM 1521 CB VAL B 635 -2.577 3.970 -4.932 1.00 0.28 C ATOM 1522 CG1 VAL B 635 -2.956 2.957 -3.853 1.00 0.32 C ATOM 1523 CG2 VAL B 635 -1.571 4.972 -4.389 1.00 0.35 C ATOM 0 H VAL B 635 -2.070 5.158 -7.091 1.00 0.33 H new ATOM 0 HA VAL B 635 -1.044 2.818 -5.910 1.00 0.28 H new ATOM 0 HB VAL B 635 -3.483 4.499 -5.226 1.00 0.28 H new ATOM 0 HG11 VAL B 635 -3.358 3.482 -2.986 1.00 0.32 H new ATOM 0 HG12 VAL B 635 -3.709 2.273 -4.245 1.00 0.32 H new ATOM 0 HG13 VAL B 635 -2.072 2.393 -3.557 1.00 0.32 H new ATOM 0 HG21 VAL B 635 -1.986 5.463 -3.509 1.00 0.35 H new ATOM 0 HG22 VAL B 635 -0.652 4.453 -4.116 1.00 0.35 H new ATOM 0 HG23 VAL B 635 -1.353 5.719 -5.152 1.00 0.35 H new ATOM 1533 N LEU B 636 -4.129 2.531 -7.105 1.00 0.29 N ATOM 1534 CA LEU B 636 -5.134 1.562 -7.550 1.00 0.33 C ATOM 1535 C LEU B 636 -4.552 0.521 -8.510 1.00 0.34 C ATOM 1536 O LEU B 636 -4.576 -0.687 -8.224 1.00 0.36 O ATOM 1537 CB LEU B 636 -6.303 2.290 -8.221 1.00 0.40 C ATOM 1538 CG LEU B 636 -7.069 3.262 -7.321 1.00 0.47 C ATOM 1539 CD1 LEU B 636 -8.123 4.011 -8.123 1.00 0.57 C ATOM 1540 CD2 LEU B 636 -7.714 2.513 -6.167 1.00 0.51 C ATOM 0 H LEU B 636 -4.423 3.504 -7.185 1.00 0.29 H new ATOM 0 HA LEU B 636 -5.486 1.031 -6.665 1.00 0.33 H new ATOM 0 HB2 LEU B 636 -5.922 2.840 -9.081 1.00 0.40 H new ATOM 0 HB3 LEU B 636 -7.002 1.546 -8.603 1.00 0.40 H new ATOM 0 HG LEU B 636 -6.365 3.988 -6.915 1.00 0.47 H new ATOM 0 HD11 LEU B 636 -8.659 4.698 -7.468 1.00 0.57 H new ATOM 0 HD12 LEU B 636 -7.640 4.574 -8.922 1.00 0.57 H new ATOM 0 HD13 LEU B 636 -8.826 3.299 -8.554 1.00 0.57 H new ATOM 0 HD21 LEU B 636 -8.256 3.216 -5.534 1.00 0.51 H new ATOM 0 HD22 LEU B 636 -8.407 1.769 -6.559 1.00 0.51 H new ATOM 0 HD23 LEU B 636 -6.942 2.016 -5.579 1.00 0.51 H new ATOM 1552 N ASP B 637 -4.008 0.988 -9.629 1.00 0.36 N ATOM 1553 CA ASP B 637 -3.463 0.094 -10.646 1.00 0.41 C ATOM 1554 C ASP B 637 -2.377 -0.798 -10.061 1.00 0.37 C ATOM 1555 O ASP B 637 -2.320 -2.002 -10.338 1.00 0.40 O ATOM 1556 CB ASP B 637 -2.902 0.899 -11.819 1.00 0.49 C ATOM 1557 CG ASP B 637 -3.968 1.299 -12.819 1.00 1.37 C ATOM 1558 OD1 ASP B 637 -4.823 2.145 -12.488 1.00 2.30 O ATOM 1559 OD2 ASP B 637 -3.947 0.769 -13.952 1.00 1.43 O ATOM 0 H ASP B 637 -3.933 1.980 -9.855 1.00 0.36 H new ATOM 0 HA ASP B 637 -4.273 -0.540 -11.006 1.00 0.41 H new ATOM 0 HB2 ASP B 637 -2.413 1.795 -11.438 1.00 0.49 H new ATOM 0 HB3 ASP B 637 -2.138 0.310 -12.326 1.00 0.49 H new ATOM 1564 N LEU B 638 -1.545 -0.214 -9.212 1.00 0.32 N ATOM 1565 CA LEU B 638 -0.437 -0.935 -8.622 1.00 0.31 C ATOM 1566 C LEU B 638 -0.939 -2.061 -7.732 1.00 0.32 C ATOM 1567 O LEU B 638 -0.416 -3.169 -7.771 1.00 0.38 O ATOM 1568 CB LEU B 638 0.454 -0.006 -7.814 1.00 0.29 C ATOM 1569 CG LEU B 638 1.682 -0.684 -7.221 1.00 0.31 C ATOM 1570 CD1 LEU B 638 2.483 -1.366 -8.316 1.00 0.35 C ATOM 1571 CD2 LEU B 638 2.534 0.325 -6.485 1.00 0.33 C ATOM 0 H LEU B 638 -1.620 0.760 -8.918 1.00 0.32 H new ATOM 0 HA LEU B 638 0.149 -1.359 -9.438 1.00 0.31 H new ATOM 0 HB2 LEU B 638 0.778 0.816 -8.453 1.00 0.29 H new ATOM 0 HB3 LEU B 638 -0.133 0.431 -7.006 1.00 0.29 H new ATOM 0 HG LEU B 638 1.357 -1.442 -6.508 1.00 0.31 H new ATOM 0 HD11 LEU B 638 3.359 -1.847 -7.880 1.00 0.35 H new ATOM 0 HD12 LEU B 638 1.863 -2.116 -8.807 1.00 0.35 H new ATOM 0 HD13 LEU B 638 2.803 -0.625 -9.048 1.00 0.35 H new ATOM 0 HD21 LEU B 638 3.408 -0.173 -6.066 1.00 0.33 H new ATOM 0 HD22 LEU B 638 2.857 1.103 -7.177 1.00 0.33 H new ATOM 0 HD23 LEU B 638 1.952 0.774 -5.680 1.00 0.33 H new ATOM 1583 N LEU B 639 -1.965 -1.772 -6.945 1.00 0.29 N ATOM 1584 CA LEU B 639 -2.530 -2.758 -6.036 1.00 0.30 C ATOM 1585 C LEU B 639 -3.006 -3.984 -6.798 1.00 0.33 C ATOM 1586 O LEU B 639 -2.978 -5.096 -6.283 1.00 0.33 O ATOM 1587 CB LEU B 639 -3.699 -2.162 -5.245 1.00 0.30 C ATOM 1588 CG LEU B 639 -3.340 -0.989 -4.335 1.00 0.28 C ATOM 1589 CD1 LEU B 639 -4.580 -0.472 -3.626 1.00 0.31 C ATOM 1590 CD2 LEU B 639 -2.284 -1.400 -3.324 1.00 0.31 C ATOM 0 H LEU B 639 -2.424 -0.861 -6.918 1.00 0.29 H new ATOM 0 HA LEU B 639 -1.745 -3.055 -5.340 1.00 0.30 H new ATOM 0 HB2 LEU B 639 -4.463 -1.833 -5.950 1.00 0.30 H new ATOM 0 HB3 LEU B 639 -4.144 -2.950 -4.637 1.00 0.30 H new ATOM 0 HG LEU B 639 -2.932 -0.188 -4.951 1.00 0.28 H new ATOM 0 HD11 LEU B 639 -4.309 0.364 -2.981 1.00 0.31 H new ATOM 0 HD12 LEU B 639 -5.309 -0.139 -4.365 1.00 0.31 H new ATOM 0 HD13 LEU B 639 -5.014 -1.270 -3.023 1.00 0.31 H new ATOM 0 HD21 LEU B 639 -2.042 -0.551 -2.685 1.00 0.31 H new ATOM 0 HD22 LEU B 639 -2.665 -2.218 -2.712 1.00 0.31 H new ATOM 0 HD23 LEU B 639 -1.386 -1.727 -3.848 1.00 0.31 H new ATOM 1602 N SER B 640 -3.455 -3.774 -8.023 1.00 0.38 N ATOM 1603 CA SER B 640 -4.013 -4.863 -8.799 1.00 0.44 C ATOM 1604 C SER B 640 -3.001 -5.571 -9.704 1.00 0.50 C ATOM 1605 O SER B 640 -3.304 -6.633 -10.246 1.00 0.57 O ATOM 1606 CB SER B 640 -5.177 -4.333 -9.606 1.00 0.53 C ATOM 1607 OG SER B 640 -4.834 -3.143 -10.294 1.00 1.17 O ATOM 0 H SER B 640 -3.444 -2.870 -8.496 1.00 0.38 H new ATOM 0 HA SER B 640 -4.343 -5.627 -8.095 1.00 0.44 H new ATOM 0 HB2 SER B 640 -5.498 -5.089 -10.323 1.00 0.53 H new ATOM 0 HB3 SER B 640 -6.022 -4.141 -8.945 1.00 0.53 H new ATOM 0 HG SER B 640 -3.860 -3.031 -10.289 1.00 1.17 H new ATOM 1613 N VAL B 641 -1.814 -5.006 -9.884 1.00 0.52 N ATOM 1614 CA VAL B 641 -0.811 -5.658 -10.730 1.00 0.57 C ATOM 1615 C VAL B 641 0.009 -6.692 -9.956 1.00 0.60 C ATOM 1616 O VAL B 641 0.866 -7.363 -10.527 1.00 0.68 O ATOM 1617 CB VAL B 641 0.146 -4.647 -11.401 1.00 0.55 C ATOM 1618 CG1 VAL B 641 -0.630 -3.705 -12.307 1.00 0.57 C ATOM 1619 CG2 VAL B 641 0.946 -3.864 -10.370 1.00 0.49 C ATOM 0 H VAL B 641 -1.522 -4.121 -9.470 1.00 0.52 H new ATOM 0 HA VAL B 641 -1.377 -6.167 -11.510 1.00 0.57 H new ATOM 0 HB VAL B 641 0.856 -5.211 -12.007 1.00 0.55 H new ATOM 0 HG11 VAL B 641 0.058 -2.999 -12.772 1.00 0.57 H new ATOM 0 HG12 VAL B 641 -1.138 -4.281 -13.081 1.00 0.57 H new ATOM 0 HG13 VAL B 641 -1.367 -3.159 -11.718 1.00 0.57 H new ATOM 0 HG21 VAL B 641 1.608 -3.163 -10.879 1.00 0.49 H new ATOM 0 HG22 VAL B 641 0.264 -3.314 -9.722 1.00 0.49 H new ATOM 0 HG23 VAL B 641 1.540 -4.554 -9.770 1.00 0.49 H new ATOM 1629 N ILE B 642 -0.273 -6.832 -8.667 1.00 0.57 N ATOM 1630 CA ILE B 642 0.457 -7.765 -7.815 1.00 0.62 C ATOM 1631 C ILE B 642 -0.480 -8.821 -7.213 1.00 0.72 C ATOM 1632 O ILE B 642 -1.700 -8.713 -7.368 1.00 0.74 O ATOM 1633 CB ILE B 642 1.218 -7.015 -6.700 1.00 0.53 C ATOM 1634 CG1 ILE B 642 0.456 -5.750 -6.291 1.00 0.49 C ATOM 1635 CG2 ILE B 642 2.630 -6.672 -7.157 1.00 0.53 C ATOM 1636 CD1 ILE B 642 1.232 -4.842 -5.366 1.00 0.55 C ATOM 0 H ILE B 642 -1.005 -6.309 -8.186 1.00 0.57 H new ATOM 0 HA ILE B 642 1.186 -8.280 -8.441 1.00 0.62 H new ATOM 0 HB ILE B 642 1.291 -7.667 -5.829 1.00 0.53 H new ATOM 0 HG12 ILE B 642 0.186 -5.194 -7.189 1.00 0.49 H new ATOM 0 HG13 ILE B 642 -0.475 -6.040 -5.804 1.00 0.49 H new ATOM 0 HG21 ILE B 642 3.152 -6.144 -6.359 1.00 0.53 H new ATOM 0 HG22 ILE B 642 3.168 -7.589 -7.397 1.00 0.53 H new ATOM 0 HG23 ILE B 642 2.582 -6.037 -8.042 1.00 0.53 H new ATOM 0 HD11 ILE B 642 0.627 -3.969 -5.121 1.00 0.55 H new ATOM 0 HD12 ILE B 642 1.479 -5.380 -4.451 1.00 0.55 H new ATOM 0 HD13 ILE B 642 2.150 -4.521 -5.857 1.00 0.55 H new ATOM 1648 N PRO B 643 0.081 -9.882 -6.573 1.00 0.82 N ATOM 1649 CA PRO B 643 -0.701 -10.996 -5.986 1.00 0.95 C ATOM 1650 C PRO B 643 -1.779 -10.569 -4.978 1.00 0.90 C ATOM 1651 O PRO B 643 -2.183 -9.418 -4.913 1.00 0.81 O ATOM 1652 CB PRO B 643 0.360 -11.824 -5.259 1.00 1.03 C ATOM 1653 CG PRO B 643 1.641 -11.514 -5.940 1.00 1.05 C ATOM 1654 CD PRO B 643 1.534 -10.096 -6.401 1.00 0.83 C ATOM 0 HA PRO B 643 -1.254 -11.516 -6.769 1.00 0.95 H new ATOM 0 HB2 PRO B 643 0.405 -11.563 -4.202 1.00 1.03 H new ATOM 0 HB3 PRO B 643 0.133 -12.889 -5.315 1.00 1.03 H new ATOM 0 HG2 PRO B 643 2.484 -11.640 -5.260 1.00 1.05 H new ATOM 0 HG3 PRO B 643 1.807 -12.186 -6.782 1.00 1.05 H new ATOM 0 HD2 PRO B 643 1.955 -9.406 -5.670 1.00 0.83 H new ATOM 0 HD3 PRO B 643 2.074 -9.939 -7.335 1.00 0.83 H new ATOM 1662 N LYS B 644 -2.249 -11.531 -4.199 1.00 1.06 N ATOM 1663 CA LYS B 644 -3.262 -11.274 -3.187 1.00 1.10 C ATOM 1664 C LYS B 644 -2.688 -11.512 -1.797 1.00 1.06 C ATOM 1665 O LYS B 644 -1.888 -12.421 -1.601 1.00 1.07 O ATOM 1666 CB LYS B 644 -4.480 -12.171 -3.414 1.00 1.25 C ATOM 1667 CG LYS B 644 -5.267 -11.826 -4.672 1.00 1.29 C ATOM 1668 CD LYS B 644 -6.564 -12.616 -4.759 1.00 1.65 C ATOM 1669 CE LYS B 644 -6.316 -14.108 -4.926 1.00 1.87 C ATOM 1670 NZ LYS B 644 -5.780 -14.437 -6.275 1.00 2.25 N ATOM 0 H LYS B 644 -1.943 -12.503 -4.249 1.00 1.06 H new ATOM 0 HA LYS B 644 -3.576 -10.233 -3.265 1.00 1.10 H new ATOM 0 HB2 LYS B 644 -4.150 -13.208 -3.475 1.00 1.25 H new ATOM 0 HB3 LYS B 644 -5.141 -12.097 -2.550 1.00 1.25 H new ATOM 0 HG2 LYS B 644 -5.490 -10.759 -4.681 1.00 1.29 H new ATOM 0 HG3 LYS B 644 -4.656 -12.031 -5.551 1.00 1.29 H new ATOM 0 HD2 LYS B 644 -7.153 -12.446 -3.858 1.00 1.65 H new ATOM 0 HD3 LYS B 644 -7.155 -12.251 -5.599 1.00 1.65 H new ATOM 0 HE2 LYS B 644 -5.613 -14.446 -4.164 1.00 1.87 H new ATOM 0 HE3 LYS B 644 -7.247 -14.651 -4.764 1.00 1.87 H new ATOM 0 HZ1 LYS B 644 -5.228 -15.317 -6.224 1.00 2.25 H new ATOM 0 HZ2 LYS B 644 -6.569 -14.562 -6.941 1.00 2.25 H new ATOM 0 HZ3 LYS B 644 -5.168 -13.663 -6.604 1.00 2.25 H new ATOM 1684 N ARG B 645 -3.096 -10.647 -0.858 1.00 1.06 N ATOM 1685 CA ARG B 645 -2.620 -10.644 0.542 1.00 1.06 C ATOM 1686 C ARG B 645 -2.458 -12.032 1.172 1.00 1.05 C ATOM 1687 O ARG B 645 -1.660 -12.198 2.094 1.00 1.08 O ATOM 1688 CB ARG B 645 -3.573 -9.827 1.423 1.00 1.16 C ATOM 1689 CG ARG B 645 -4.965 -10.433 1.543 1.00 1.55 C ATOM 1690 CD ARG B 645 -5.756 -9.815 2.688 1.00 1.72 C ATOM 1691 NE ARG B 645 -5.127 -10.048 3.996 1.00 2.35 N ATOM 1692 CZ ARG B 645 -5.594 -9.551 5.145 1.00 2.89 C ATOM 1693 NH1 ARG B 645 -6.699 -8.817 5.156 1.00 2.92 N ATOM 1694 NH2 ARG B 645 -4.952 -9.790 6.286 1.00 3.87 N ATOM 0 H ARG B 645 -3.779 -9.914 -1.049 1.00 1.06 H new ATOM 0 HA ARG B 645 -1.626 -10.199 0.496 1.00 1.06 H new ATOM 0 HB2 ARG B 645 -3.141 -9.731 2.419 1.00 1.16 H new ATOM 0 HB3 ARG B 645 -3.658 -8.820 1.014 1.00 1.16 H new ATOM 0 HG2 ARG B 645 -5.506 -10.288 0.608 1.00 1.55 H new ATOM 0 HG3 ARG B 645 -4.881 -11.509 1.699 1.00 1.55 H new ATOM 0 HD2 ARG B 645 -5.853 -8.742 2.521 1.00 1.72 H new ATOM 0 HD3 ARG B 645 -6.764 -10.229 2.694 1.00 1.72 H new ATOM 0 HE ARG B 645 -4.285 -10.623 4.028 1.00 2.35 H new ATOM 0 HH11 ARG B 645 -7.196 -8.630 4.285 1.00 2.92 H new ATOM 0 HH12 ARG B 645 -7.052 -8.440 6.035 1.00 2.92 H new ATOM 0 HH21 ARG B 645 -4.102 -10.353 6.284 1.00 3.87 H new ATOM 0 HH22 ARG B 645 -5.310 -9.410 7.162 1.00 3.87 H new ATOM 1708 N GLN B 646 -3.217 -13.011 0.702 1.00 1.11 N ATOM 1709 CA GLN B 646 -3.202 -14.340 1.312 1.00 1.17 C ATOM 1710 C GLN B 646 -1.984 -15.143 0.865 1.00 1.20 C ATOM 1711 O GLN B 646 -1.702 -16.212 1.404 1.00 1.26 O ATOM 1712 CB GLN B 646 -4.482 -15.099 0.967 1.00 1.26 C ATOM 1713 CG GLN B 646 -5.757 -14.319 1.253 1.00 1.46 C ATOM 1714 CD GLN B 646 -5.940 -13.967 2.728 1.00 1.99 C ATOM 1715 OE1 GLN B 646 -4.976 -13.773 3.471 1.00 2.61 O ATOM 1716 NE2 GLN B 646 -7.186 -13.865 3.160 1.00 2.10 N ATOM 0 H GLN B 646 -3.848 -12.916 -0.094 1.00 1.11 H new ATOM 0 HA GLN B 646 -3.144 -14.208 2.392 1.00 1.17 H new ATOM 0 HB2 GLN B 646 -4.461 -15.367 -0.089 1.00 1.26 H new ATOM 0 HB3 GLN B 646 -4.504 -16.031 1.532 1.00 1.26 H new ATOM 0 HG2 GLN B 646 -5.750 -13.400 0.667 1.00 1.46 H new ATOM 0 HG3 GLN B 646 -6.614 -14.904 0.919 1.00 1.46 H new ATOM 0 HE21 GLN B 646 -7.963 -14.032 2.520 1.00 2.10 H new ATOM 0 HE22 GLN B 646 -7.370 -13.620 4.133 1.00 2.10 H new ATOM 1725 N TYR B 647 -1.266 -14.616 -0.116 1.00 1.25 N ATOM 1726 CA TYR B 647 -0.076 -15.280 -0.637 1.00 1.33 C ATOM 1727 C TYR B 647 1.190 -14.665 -0.058 1.00 1.38 C ATOM 1728 O TYR B 647 2.294 -14.990 -0.485 1.00 1.55 O ATOM 1729 CB TYR B 647 -0.026 -15.171 -2.160 1.00 1.39 C ATOM 1730 CG TYR B 647 -1.176 -15.839 -2.867 1.00 1.46 C ATOM 1731 CD1 TYR B 647 -1.470 -17.175 -2.642 1.00 1.56 C ATOM 1732 CD2 TYR B 647 -1.963 -15.135 -3.767 1.00 1.52 C ATOM 1733 CE1 TYR B 647 -2.513 -17.794 -3.299 1.00 1.70 C ATOM 1734 CE2 TYR B 647 -3.007 -15.748 -4.430 1.00 1.64 C ATOM 1735 CZ TYR B 647 -3.279 -17.078 -4.191 1.00 1.74 C ATOM 1736 OH TYR B 647 -4.314 -17.696 -4.850 1.00 1.90 O ATOM 0 H TYR B 647 -1.486 -13.729 -0.569 1.00 1.25 H new ATOM 0 HA TYR B 647 -0.131 -16.329 -0.345 1.00 1.33 H new ATOM 0 HB2 TYR B 647 -0.007 -14.117 -2.437 1.00 1.39 H new ATOM 0 HB3 TYR B 647 0.907 -15.610 -2.514 1.00 1.39 H new ATOM 0 HD1 TYR B 647 -0.873 -17.740 -1.941 1.00 1.56 H new ATOM 0 HD2 TYR B 647 -1.756 -14.091 -3.952 1.00 1.52 H new ATOM 0 HE1 TYR B 647 -2.728 -18.836 -3.114 1.00 1.70 H new ATOM 0 HE2 TYR B 647 -3.607 -15.189 -5.132 1.00 1.64 H new ATOM 0 HH TYR B 647 -4.121 -17.723 -5.810 1.00 1.90 H new ATOM 1808 N LEU B 652 4.603 -9.254 8.170 1.00 1.24 N ATOM 1809 CA LEU B 652 3.546 -8.323 7.779 1.00 0.65 C ATOM 1810 C LEU B 652 3.657 -7.022 8.565 1.00 0.61 C ATOM 1811 O LEU B 652 3.466 -6.987 9.778 1.00 1.04 O ATOM 1812 CB LEU B 652 2.150 -8.942 7.961 1.00 1.15 C ATOM 1813 CG LEU B 652 1.847 -10.147 7.066 1.00 1.20 C ATOM 1814 CD1 LEU B 652 0.478 -10.732 7.395 1.00 2.09 C ATOM 1815 CD2 LEU B 652 1.922 -9.750 5.599 1.00 1.12 C ATOM 0 HA LEU B 652 3.677 -8.105 6.719 1.00 0.65 H new ATOM 0 HB2 LEU B 652 2.038 -9.246 9.002 1.00 1.15 H new ATOM 0 HB3 LEU B 652 1.402 -8.172 7.772 1.00 1.15 H new ATOM 0 HG LEU B 652 2.598 -10.914 7.255 1.00 1.20 H new ATOM 0 HD11 LEU B 652 0.283 -11.587 6.748 1.00 2.09 H new ATOM 0 HD12 LEU B 652 0.460 -11.054 8.436 1.00 2.09 H new ATOM 0 HD13 LEU B 652 -0.289 -9.974 7.236 1.00 2.09 H new ATOM 0 HD21 LEU B 652 1.704 -10.617 4.976 1.00 1.12 H new ATOM 0 HD22 LEU B 652 1.193 -8.965 5.397 1.00 1.12 H new ATOM 0 HD23 LEU B 652 2.923 -9.382 5.372 1.00 1.12 H new ATOM 1827 N LEU B 653 3.984 -5.953 7.857 1.00 0.41 N ATOM 1828 CA LEU B 653 4.149 -4.652 8.478 1.00 0.31 C ATOM 1829 C LEU B 653 2.833 -4.174 9.073 1.00 0.30 C ATOM 1830 O LEU B 653 1.755 -4.514 8.580 1.00 0.56 O ATOM 1831 CB LEU B 653 4.653 -3.627 7.462 1.00 0.32 C ATOM 1832 CG LEU B 653 5.934 -4.009 6.720 1.00 0.37 C ATOM 1833 CD1 LEU B 653 6.397 -2.858 5.844 1.00 0.44 C ATOM 1834 CD2 LEU B 653 7.031 -4.419 7.690 1.00 0.36 C ATOM 0 H LEU B 653 4.140 -5.963 6.849 1.00 0.41 H new ATOM 0 HA LEU B 653 4.886 -4.752 9.275 1.00 0.31 H new ATOM 0 HB2 LEU B 653 3.867 -3.453 6.727 1.00 0.32 H new ATOM 0 HB3 LEU B 653 4.821 -2.682 7.979 1.00 0.32 H new ATOM 0 HG LEU B 653 5.715 -4.867 6.085 1.00 0.37 H new ATOM 0 HD11 LEU B 653 7.310 -3.143 5.321 1.00 0.44 H new ATOM 0 HD12 LEU B 653 5.621 -2.620 5.116 1.00 0.44 H new ATOM 0 HD13 LEU B 653 6.592 -1.984 6.465 1.00 0.44 H new ATOM 0 HD21 LEU B 653 7.929 -4.685 7.132 1.00 0.36 H new ATOM 0 HD22 LEU B 653 7.253 -3.589 8.361 1.00 0.36 H new ATOM 0 HD23 LEU B 653 6.699 -5.278 8.273 1.00 0.36 H new ATOM 1846 N ASP B 654 2.928 -3.360 10.106 1.00 0.31 N ATOM 1847 CA ASP B 654 1.747 -2.857 10.779 1.00 0.28 C ATOM 1848 C ASP B 654 1.484 -1.436 10.311 1.00 0.23 C ATOM 1849 O ASP B 654 2.262 -0.518 10.571 1.00 0.29 O ATOM 1850 CB ASP B 654 1.917 -2.891 12.298 1.00 0.38 C ATOM 1851 CG ASP B 654 0.737 -2.275 13.024 1.00 1.10 C ATOM 1852 OD1 ASP B 654 0.741 -1.053 13.258 1.00 1.84 O ATOM 1853 OD2 ASP B 654 -0.215 -3.014 13.353 1.00 1.46 O ATOM 0 H ASP B 654 3.811 -3.033 10.498 1.00 0.31 H new ATOM 0 HA ASP B 654 0.899 -3.495 10.530 1.00 0.28 H new ATOM 0 HB2 ASP B 654 2.042 -3.923 12.624 1.00 0.38 H new ATOM 0 HB3 ASP B 654 2.827 -2.358 12.571 1.00 0.38 H new ATOM 1858 N ALA B 655 0.401 -1.314 9.554 1.00 0.22 N ATOM 1859 CA ALA B 655 -0.084 -0.057 8.994 1.00 0.24 C ATOM 1860 C ALA B 655 0.066 1.133 9.921 1.00 0.22 C ATOM 1861 O ALA B 655 0.587 2.168 9.525 1.00 0.28 O ATOM 1862 CB ALA B 655 -1.542 -0.217 8.690 1.00 0.30 C ATOM 0 H ALA B 655 -0.183 -2.112 9.304 1.00 0.22 H new ATOM 0 HA ALA B 655 0.520 0.147 8.110 1.00 0.24 H new ATOM 0 HB1 ALA B 655 -1.930 0.711 8.269 1.00 0.30 H new ATOM 0 HB2 ALA B 655 -1.677 -1.026 7.972 1.00 0.30 H new ATOM 0 HB3 ALA B 655 -2.081 -0.453 9.607 1.00 0.30 H new ATOM 1868 N GLN B 656 -0.439 0.989 11.137 1.00 0.20 N ATOM 1869 CA GLN B 656 -0.433 2.073 12.104 1.00 0.22 C ATOM 1870 C GLN B 656 0.979 2.589 12.323 1.00 0.23 C ATOM 1871 O GLN B 656 1.217 3.797 12.320 1.00 0.31 O ATOM 1872 CB GLN B 656 -1.045 1.602 13.422 1.00 0.25 C ATOM 1873 CG GLN B 656 -2.553 1.418 13.349 1.00 0.35 C ATOM 1874 CD GLN B 656 -3.306 2.733 13.376 1.00 0.89 C ATOM 1875 OE1 GLN B 656 -2.764 3.709 14.082 1.00 1.67 O flip ATOM 1876 NE2 GLN B 656 -4.377 2.864 12.788 1.00 1.66 N flip ATOM 0 H GLN B 656 -0.861 0.125 11.478 1.00 0.20 H new ATOM 0 HA GLN B 656 -1.035 2.893 11.713 1.00 0.22 H new ATOM 0 HB2 GLN B 656 -0.584 0.658 13.713 1.00 0.25 H new ATOM 0 HB3 GLN B 656 -0.811 2.325 14.203 1.00 0.25 H new ATOM 0 HG2 GLN B 656 -2.805 0.879 12.436 1.00 0.35 H new ATOM 0 HG3 GLN B 656 -2.880 0.800 14.185 1.00 0.35 H new ATOM 0 HE21 GLN B 656 -4.763 2.086 12.253 1.00 1.66 H new ATOM 0 HE22 GLN B 656 -4.880 3.750 12.835 1.00 1.66 H new ATOM 1885 N LYS B 657 1.919 1.673 12.465 1.00 0.21 N ATOM 1886 CA LYS B 657 3.303 2.051 12.694 1.00 0.26 C ATOM 1887 C LYS B 657 3.892 2.651 11.429 1.00 0.23 C ATOM 1888 O LYS B 657 4.598 3.653 11.478 1.00 0.26 O ATOM 1889 CB LYS B 657 4.132 0.845 13.134 1.00 0.36 C ATOM 1890 CG LYS B 657 3.442 -0.016 14.176 1.00 0.44 C ATOM 1891 CD LYS B 657 2.904 0.818 15.325 1.00 0.79 C ATOM 1892 CE LYS B 657 2.225 -0.052 16.369 1.00 1.31 C ATOM 1893 NZ LYS B 657 0.939 -0.614 15.876 1.00 1.90 N ATOM 0 H LYS B 657 1.752 0.667 12.426 1.00 0.21 H new ATOM 0 HA LYS B 657 3.328 2.794 13.491 1.00 0.26 H new ATOM 0 HB2 LYS B 657 4.360 0.233 12.261 1.00 0.36 H new ATOM 0 HB3 LYS B 657 5.083 1.195 13.535 1.00 0.36 H new ATOM 0 HG2 LYS B 657 2.624 -0.565 13.711 1.00 0.44 H new ATOM 0 HG3 LYS B 657 4.144 -0.755 14.560 1.00 0.44 H new ATOM 0 HD2 LYS B 657 3.720 1.374 15.787 1.00 0.79 H new ATOM 0 HD3 LYS B 657 2.194 1.552 14.943 1.00 0.79 H new ATOM 0 HE2 LYS B 657 2.892 -0.867 16.651 1.00 1.31 H new ATOM 0 HE3 LYS B 657 2.042 0.537 17.268 1.00 1.31 H new ATOM 0 HZ1 LYS B 657 0.147 -0.083 16.290 1.00 1.90 H new ATOM 0 HZ2 LYS B 657 0.902 -0.539 14.839 1.00 1.90 H new ATOM 0 HZ3 LYS B 657 0.868 -1.614 16.153 1.00 1.90 H new ATOM 1907 N LEU B 658 3.562 2.043 10.296 1.00 0.25 N ATOM 1908 CA LEU B 658 4.056 2.485 8.995 1.00 0.24 C ATOM 1909 C LEU B 658 3.579 3.884 8.653 1.00 0.23 C ATOM 1910 O LEU B 658 4.342 4.688 8.136 1.00 0.24 O ATOM 1911 CB LEU B 658 3.618 1.491 7.912 1.00 0.25 C ATOM 1912 CG LEU B 658 3.918 1.899 6.464 1.00 0.25 C ATOM 1913 CD1 LEU B 658 5.407 2.138 6.255 1.00 0.27 C ATOM 1914 CD2 LEU B 658 3.413 0.836 5.500 1.00 0.27 C ATOM 0 H LEU B 658 2.946 1.231 10.252 1.00 0.25 H new ATOM 0 HA LEU B 658 5.144 2.518 9.042 1.00 0.24 H new ATOM 0 HB2 LEU B 658 4.103 0.535 8.107 1.00 0.25 H new ATOM 0 HB3 LEU B 658 2.544 1.329 8.008 1.00 0.25 H new ATOM 0 HG LEU B 658 3.396 2.835 6.264 1.00 0.25 H new ATOM 0 HD11 LEU B 658 5.587 2.426 5.219 1.00 0.27 H new ATOM 0 HD12 LEU B 658 5.744 2.936 6.917 1.00 0.27 H new ATOM 0 HD13 LEU B 658 5.957 1.224 6.479 1.00 0.27 H new ATOM 0 HD21 LEU B 658 3.633 1.139 4.476 1.00 0.27 H new ATOM 0 HD22 LEU B 658 3.908 -0.112 5.712 1.00 0.27 H new ATOM 0 HD23 LEU B 658 2.336 0.718 5.620 1.00 0.27 H new ATOM 1926 N VAL B 659 2.336 4.179 8.958 1.00 0.24 N ATOM 1927 CA VAL B 659 1.768 5.471 8.620 1.00 0.24 C ATOM 1928 C VAL B 659 2.421 6.568 9.440 1.00 0.24 C ATOM 1929 O VAL B 659 2.880 7.573 8.904 1.00 0.27 O ATOM 1930 CB VAL B 659 0.243 5.479 8.830 1.00 0.25 C ATOM 1931 CG1 VAL B 659 -0.314 6.890 8.818 1.00 0.30 C ATOM 1932 CG2 VAL B 659 -0.427 4.655 7.753 1.00 0.28 C ATOM 0 H VAL B 659 1.697 3.546 9.439 1.00 0.24 H new ATOM 0 HA VAL B 659 1.964 5.659 7.564 1.00 0.24 H new ATOM 0 HB VAL B 659 0.037 5.045 9.808 1.00 0.25 H new ATOM 0 HG11 VAL B 659 -1.393 6.857 8.969 1.00 0.30 H new ATOM 0 HG12 VAL B 659 0.147 7.470 9.618 1.00 0.30 H new ATOM 0 HG13 VAL B 659 -0.096 7.359 7.858 1.00 0.30 H new ATOM 0 HG21 VAL B 659 -1.506 4.664 7.906 1.00 0.28 H new ATOM 0 HG22 VAL B 659 -0.196 5.077 6.775 1.00 0.28 H new ATOM 0 HG23 VAL B 659 -0.062 3.629 7.800 1.00 0.28 H new ATOM 1942 N ASN B 660 2.493 6.349 10.743 1.00 0.25 N ATOM 1943 CA ASN B 660 3.110 7.310 11.640 1.00 0.28 C ATOM 1944 C ASN B 660 4.590 7.470 11.313 1.00 0.26 C ATOM 1945 O ASN B 660 5.133 8.572 11.359 1.00 0.30 O ATOM 1946 CB ASN B 660 2.919 6.878 13.094 1.00 0.37 C ATOM 1947 CG ASN B 660 1.501 7.125 13.576 1.00 0.80 C ATOM 1948 OD1 ASN B 660 1.187 8.204 14.079 1.00 1.64 O ATOM 1949 ND2 ASN B 660 0.641 6.126 13.440 1.00 0.51 N ATOM 0 H ASN B 660 2.131 5.513 11.202 1.00 0.25 H new ATOM 0 HA ASN B 660 2.625 8.276 11.503 1.00 0.28 H new ATOM 0 HB2 ASN B 660 3.157 5.819 13.192 1.00 0.37 H new ATOM 0 HB3 ASN B 660 3.618 7.422 13.729 1.00 0.37 H new ATOM 0 HD21 ASN B 660 -0.322 6.235 13.758 1.00 0.51 H new ATOM 0 HD22 ASN B 660 0.942 5.248 13.018 1.00 0.51 H new ATOM 1956 N PHE B 661 5.225 6.363 10.955 1.00 0.24 N ATOM 1957 CA PHE B 661 6.621 6.364 10.545 1.00 0.26 C ATOM 1958 C PHE B 661 6.802 7.103 9.220 1.00 0.27 C ATOM 1959 O PHE B 661 7.783 7.814 9.031 1.00 0.30 O ATOM 1960 CB PHE B 661 7.122 4.920 10.425 1.00 0.29 C ATOM 1961 CG PHE B 661 8.512 4.779 9.871 1.00 0.30 C ATOM 1962 CD1 PHE B 661 9.613 5.216 10.591 1.00 0.37 C ATOM 1963 CD2 PHE B 661 8.716 4.191 8.635 1.00 0.30 C ATOM 1964 CE1 PHE B 661 10.891 5.073 10.085 1.00 0.41 C ATOM 1965 CE2 PHE B 661 9.992 4.046 8.122 1.00 0.34 C ATOM 1966 CZ PHE B 661 11.081 4.487 8.849 1.00 0.37 C ATOM 0 H PHE B 661 4.788 5.441 10.941 1.00 0.24 H new ATOM 0 HA PHE B 661 7.207 6.887 11.301 1.00 0.26 H new ATOM 0 HB2 PHE B 661 7.090 4.456 11.411 1.00 0.29 H new ATOM 0 HB3 PHE B 661 6.434 4.363 9.789 1.00 0.29 H new ATOM 0 HD1 PHE B 661 9.470 5.674 11.559 1.00 0.37 H new ATOM 0 HD2 PHE B 661 7.869 3.841 8.064 1.00 0.30 H new ATOM 0 HE1 PHE B 661 11.740 5.419 10.655 1.00 0.41 H new ATOM 0 HE2 PHE B 661 10.137 3.589 7.154 1.00 0.34 H new ATOM 0 HZ PHE B 661 12.079 4.374 8.452 1.00 0.37 H new ATOM 1976 N LEU B 662 5.840 6.956 8.319 1.00 0.27 N ATOM 1977 CA LEU B 662 5.943 7.525 6.979 1.00 0.28 C ATOM 1978 C LEU B 662 5.677 9.027 7.007 1.00 0.27 C ATOM 1979 O LEU B 662 6.384 9.803 6.364 1.00 0.29 O ATOM 1980 CB LEU B 662 4.947 6.829 6.040 1.00 0.29 C ATOM 1981 CG LEU B 662 5.012 7.235 4.565 1.00 0.31 C ATOM 1982 CD1 LEU B 662 6.338 6.827 3.951 1.00 0.38 C ATOM 1983 CD2 LEU B 662 3.871 6.599 3.794 1.00 0.31 C ATOM 0 H LEU B 662 4.974 6.445 8.492 1.00 0.27 H new ATOM 0 HA LEU B 662 6.956 7.365 6.610 1.00 0.28 H new ATOM 0 HB2 LEU B 662 5.108 5.753 6.107 1.00 0.29 H new ATOM 0 HB3 LEU B 662 3.939 7.024 6.405 1.00 0.29 H new ATOM 0 HG LEU B 662 4.922 8.320 4.508 1.00 0.31 H new ATOM 0 HD11 LEU B 662 6.361 7.126 2.903 1.00 0.38 H new ATOM 0 HD12 LEU B 662 7.152 7.316 4.486 1.00 0.38 H new ATOM 0 HD13 LEU B 662 6.455 5.746 4.023 1.00 0.38 H new ATOM 0 HD21 LEU B 662 3.929 6.896 2.747 1.00 0.31 H new ATOM 0 HD22 LEU B 662 3.942 5.514 3.868 1.00 0.31 H new ATOM 0 HD23 LEU B 662 2.920 6.929 4.212 1.00 0.31 H new ATOM 1995 N ASN B 663 4.657 9.430 7.758 1.00 0.29 N ATOM 1996 CA ASN B 663 4.286 10.839 7.854 1.00 0.36 C ATOM 1997 C ASN B 663 5.375 11.646 8.556 1.00 0.37 C ATOM 1998 O ASN B 663 5.746 12.730 8.110 1.00 0.43 O ATOM 1999 CB ASN B 663 2.966 11.021 8.625 1.00 0.56 C ATOM 2000 CG ASN B 663 1.803 10.236 8.049 1.00 1.05 C ATOM 2001 OD1 ASN B 663 1.811 9.843 6.886 1.00 1.93 O ATOM 2002 ND2 ASN B 663 0.768 10.045 8.854 1.00 1.07 N ATOM 0 H ASN B 663 4.072 8.802 8.309 1.00 0.29 H new ATOM 0 HA ASN B 663 4.161 11.202 6.834 1.00 0.36 H new ATOM 0 HB2 ASN B 663 3.118 10.719 9.661 1.00 0.56 H new ATOM 0 HB3 ASN B 663 2.707 12.080 8.636 1.00 0.56 H new ATOM 0 HD21 ASN B 663 -0.060 9.556 8.513 1.00 1.07 H new ATOM 0 HD22 ASN B 663 0.799 10.387 9.815 1.00 1.07 H new ATOM 2009 N ASP B 664 5.877 11.103 9.657 1.00 0.38 N ATOM 2010 CA ASP B 664 6.770 11.842 10.546 1.00 0.43 C ATOM 2011 C ASP B 664 8.252 11.604 10.240 1.00 0.43 C ATOM 2012 O ASP B 664 9.059 12.529 10.315 1.00 0.56 O ATOM 2013 CB ASP B 664 6.462 11.460 11.996 1.00 0.50 C ATOM 2014 CG ASP B 664 7.307 12.218 13.002 1.00 0.56 C ATOM 2015 OD1 ASP B 664 6.954 13.371 13.330 1.00 0.62 O ATOM 2016 OD2 ASP B 664 8.335 11.674 13.451 1.00 0.64 O ATOM 0 H ASP B 664 5.681 10.149 9.959 1.00 0.38 H new ATOM 0 HA ASP B 664 6.589 12.905 10.384 1.00 0.43 H new ATOM 0 HB2 ASP B 664 5.408 11.649 12.200 1.00 0.50 H new ATOM 0 HB3 ASP B 664 6.625 10.390 12.126 1.00 0.50 H new ATOM 2021 N GLN B 665 8.617 10.377 9.884 1.00 0.33 N ATOM 2022 CA GLN B 665 10.032 10.006 9.811 1.00 0.34 C ATOM 2023 C GLN B 665 10.440 9.476 8.442 1.00 0.32 C ATOM 2024 O GLN B 665 11.432 8.751 8.329 1.00 0.46 O ATOM 2025 CB GLN B 665 10.360 8.959 10.876 1.00 0.40 C ATOM 2026 CG GLN B 665 10.337 9.499 12.296 1.00 0.53 C ATOM 2027 CD GLN B 665 11.393 10.570 12.523 1.00 1.29 C ATOM 2028 OE1 GLN B 665 12.520 10.274 12.915 1.00 1.58 O ATOM 2029 NE2 GLN B 665 11.040 11.820 12.279 1.00 2.26 N ATOM 0 H GLN B 665 7.966 9.629 9.644 1.00 0.33 H new ATOM 0 HA GLN B 665 10.599 10.920 9.989 1.00 0.34 H new ATOM 0 HB2 GLN B 665 9.646 8.139 10.798 1.00 0.40 H new ATOM 0 HB3 GLN B 665 11.347 8.543 10.671 1.00 0.40 H new ATOM 0 HG2 GLN B 665 9.351 9.913 12.509 1.00 0.53 H new ATOM 0 HG3 GLN B 665 10.497 8.680 12.997 1.00 0.53 H new ATOM 0 HE21 GLN B 665 10.096 12.029 11.955 1.00 2.26 H new ATOM 0 HE22 GLN B 665 11.712 12.575 12.415 1.00 2.26 H new ATOM 2038 N VAL B 666 9.702 9.825 7.404 1.00 0.27 N ATOM 2039 CA VAL B 666 10.086 9.432 6.055 1.00 0.25 C ATOM 2040 C VAL B 666 10.034 10.620 5.106 1.00 0.24 C ATOM 2041 O VAL B 666 9.146 11.466 5.196 1.00 0.27 O ATOM 2042 CB VAL B 666 9.209 8.284 5.491 1.00 0.27 C ATOM 2043 CG1 VAL B 666 9.596 7.956 4.053 1.00 0.33 C ATOM 2044 CG2 VAL B 666 9.326 7.039 6.355 1.00 0.31 C ATOM 0 H VAL B 666 8.844 10.373 7.464 1.00 0.27 H new ATOM 0 HA VAL B 666 11.109 9.064 6.128 1.00 0.25 H new ATOM 0 HB VAL B 666 8.173 8.624 5.504 1.00 0.27 H new ATOM 0 HG11 VAL B 666 8.966 7.148 3.682 1.00 0.33 H new ATOM 0 HG12 VAL B 666 9.459 8.839 3.429 1.00 0.33 H new ATOM 0 HG13 VAL B 666 10.641 7.646 4.019 1.00 0.33 H new ATOM 0 HG21 VAL B 666 8.702 6.248 5.939 1.00 0.31 H new ATOM 0 HG22 VAL B 666 10.364 6.708 6.378 1.00 0.31 H new ATOM 0 HG23 VAL B 666 8.996 7.267 7.368 1.00 0.31 H new ATOM 2054 N GLU B 667 11.012 10.679 4.216 1.00 0.27 N ATOM 2055 CA GLU B 667 11.047 11.678 3.163 1.00 0.34 C ATOM 2056 C GLU B 667 11.476 11.016 1.864 1.00 0.32 C ATOM 2057 O GLU B 667 12.604 10.538 1.745 1.00 0.33 O ATOM 2058 CB GLU B 667 11.996 12.830 3.507 1.00 0.44 C ATOM 2059 CG GLU B 667 11.510 13.718 4.642 1.00 0.60 C ATOM 2060 CD GLU B 667 12.369 14.952 4.818 1.00 1.04 C ATOM 2061 OE1 GLU B 667 12.127 15.963 4.123 1.00 1.26 O ATOM 2062 OE2 GLU B 667 13.295 14.918 5.654 1.00 1.72 O ATOM 0 H GLU B 667 11.803 10.035 4.204 1.00 0.27 H new ATOM 0 HA GLU B 667 10.048 12.101 3.055 1.00 0.34 H new ATOM 0 HB2 GLU B 667 12.969 12.417 3.774 1.00 0.44 H new ATOM 0 HB3 GLU B 667 12.143 13.443 2.618 1.00 0.44 H new ATOM 0 HG2 GLU B 667 10.481 14.020 4.448 1.00 0.60 H new ATOM 0 HG3 GLU B 667 11.505 13.147 5.570 1.00 0.60 H new ATOM 2069 N ILE B 668 10.570 10.969 0.906 1.00 0.34 N ATOM 2070 CA ILE B 668 10.834 10.315 -0.361 1.00 0.35 C ATOM 2071 C ILE B 668 11.704 11.221 -1.235 1.00 0.30 C ATOM 2072 O ILE B 668 11.448 12.420 -1.336 1.00 0.30 O ATOM 2073 CB ILE B 668 9.507 9.983 -1.083 1.00 0.45 C ATOM 2074 CG1 ILE B 668 8.569 9.230 -0.131 1.00 0.47 C ATOM 2075 CG2 ILE B 668 9.758 9.168 -2.347 1.00 0.51 C ATOM 2076 CD1 ILE B 668 9.079 7.867 0.284 1.00 0.46 C ATOM 0 H ILE B 668 9.639 11.379 0.982 1.00 0.34 H new ATOM 0 HA ILE B 668 11.365 9.381 -0.176 1.00 0.35 H new ATOM 0 HB ILE B 668 9.033 10.918 -1.381 1.00 0.45 H new ATOM 0 HG12 ILE B 668 8.412 9.835 0.762 1.00 0.47 H new ATOM 0 HG13 ILE B 668 7.598 9.112 -0.612 1.00 0.47 H new ATOM 0 HG21 ILE B 668 8.807 8.949 -2.834 1.00 0.51 H new ATOM 0 HG22 ILE B 668 10.391 9.737 -3.027 1.00 0.51 H new ATOM 0 HG23 ILE B 668 10.255 8.234 -2.085 1.00 0.51 H new ATOM 0 HD11 ILE B 668 8.360 7.399 0.956 1.00 0.46 H new ATOM 0 HD12 ILE B 668 9.209 7.243 -0.600 1.00 0.46 H new ATOM 0 HD13 ILE B 668 10.036 7.977 0.795 1.00 0.46 H new ATOM 2088 N PRO B 669 12.750 10.668 -1.861 1.00 0.37 N ATOM 2089 CA PRO B 669 13.672 11.450 -2.684 1.00 0.43 C ATOM 2090 C PRO B 669 13.026 11.888 -3.995 1.00 0.52 C ATOM 2091 O PRO B 669 12.802 11.084 -4.897 1.00 0.71 O ATOM 2092 CB PRO B 669 14.828 10.482 -2.935 1.00 0.46 C ATOM 2093 CG PRO B 669 14.204 9.134 -2.861 1.00 0.79 C ATOM 2094 CD PRO B 669 13.117 9.244 -1.826 1.00 0.54 C ATOM 0 HA PRO B 669 13.985 12.375 -2.200 1.00 0.43 H new ATOM 0 HB2 PRO B 669 15.287 10.655 -3.909 1.00 0.46 H new ATOM 0 HB3 PRO B 669 15.613 10.598 -2.188 1.00 0.46 H new ATOM 0 HG2 PRO B 669 13.796 8.838 -3.827 1.00 0.79 H new ATOM 0 HG3 PRO B 669 14.937 8.378 -2.580 1.00 0.79 H new ATOM 0 HD2 PRO B 669 12.268 8.605 -2.067 1.00 0.54 H new ATOM 0 HD3 PRO B 669 13.471 8.945 -0.839 1.00 0.54 H new