USER MOD reduce.3.24.130724 H: found=0, std=0, add=802, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 804 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 89 SER OG : rot -110:sc= 1.59 USER MOD Set 1.2: A 109 TYR OH : rot 180:sc= 0.644 USER MOD Set 2.1: A 49 THR OG1 : rot 180:sc= 0.45 USER MOD Set 2.2: A 52 CYS SG : rot 101:sc= 0.484 USER MOD Set 3.1: A 36 ASN : amide:sc= -2.76 X(o=-5.8,f=-6.2) USER MOD Set 3.2: A 45 ASN : amide:sc= -2.99 K(o=-5.8,f=-10!) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.00944 USER MOD Single : A 22 TYR OH : rot 111:sc= -0.336 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 MET CE :methyl -144:sc= -3.66! (180deg=-7.16!) USER MOD Single : A 26 LYS NZ :NH3+ -138:sc= 0 (180deg=-0.878) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 166:sc= -0.0203 (180deg=-0.221) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 47 CYS SG : rot -25:sc= -2.56! USER MOD Single : A 51 ASN : amide:sc= -1.67! C(o=-1.7!,f=-5.8!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 ASN :FLIP amide:sc= -0.0724 F(o=-0.6,f=-0.072) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=-0.093) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 65 ASN :FLIP amide:sc= -0.743 F(o=-2.4!,f=-0.74) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=-0.041) USER MOD Single : A 71 MET CE :methyl -176:sc= 0 (180deg=-0.018) USER MOD Single : A 74 SER OG : rot -7:sc= -0.225 USER MOD Single : A 75 SER OG : rot 29:sc= 0.281 USER MOD Single : A 78 ASN : amide:sc= -1.25 K(o=-1.3,f=-4.5!) USER MOD Single : A 81 TYR OH : rot 180:sc= -0.804 USER MOD Single : A 83 GLN : amide:sc= 0.601 K(o=0.6,f=-0.028) USER MOD Single : A 88 MET CE :methyl 149:sc= 0 (180deg=-0.465) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 ASN : amide:sc= -0.193 K(o=-0.19,f=-1.5!) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 118 CYS SG : rot 25:sc= 0.0502 USER MOD ----------------------------------------------------------------- ATOM 120 N ARG A 11 9.899 19.175 3.062 1.00 0.00 N ATOM 121 CA ARG A 11 10.671 18.510 2.018 1.00 0.00 C ATOM 122 C ARG A 11 9.759 18.013 0.901 1.00 0.00 C ATOM 123 O ARG A 11 10.052 18.196 -0.282 1.00 0.00 O ATOM 124 CB ARG A 11 11.460 17.339 2.606 1.00 0.00 C ATOM 125 CG ARG A 11 12.701 17.765 3.375 1.00 0.00 C ATOM 126 CD ARG A 11 13.870 18.033 2.441 1.00 0.00 C ATOM 127 NE ARG A 11 14.416 16.800 1.880 1.00 0.00 N ATOM 128 CZ ARG A 11 15.557 16.743 1.202 1.00 0.00 C ATOM 129 NH1 ARG A 11 16.269 17.844 1.002 1.00 0.00 N ATOM 130 NH2 ARG A 11 15.989 15.584 0.723 1.00 0.00 N ATOM 0 HA ARG A 11 11.368 19.235 1.598 1.00 0.00 H new ATOM 0 HB2 ARG A 11 10.809 16.770 3.270 1.00 0.00 H new ATOM 0 HB3 ARG A 11 11.755 16.669 1.799 1.00 0.00 H new ATOM 0 HG2 ARG A 11 12.482 18.663 3.953 1.00 0.00 H new ATOM 0 HG3 ARG A 11 12.974 16.987 4.087 1.00 0.00 H new ATOM 0 HD2 ARG A 11 13.545 18.687 1.632 1.00 0.00 H new ATOM 0 HD3 ARG A 11 14.653 18.563 2.983 1.00 0.00 H new ATOM 0 HE ARG A 11 13.893 15.935 2.016 1.00 0.00 H new ATOM 0 HH11 ARG A 11 15.941 18.737 1.369 1.00 0.00 H new ATOM 0 HH12 ARG A 11 17.145 17.797 0.481 1.00 0.00 H new ATOM 0 HH21 ARG A 11 15.445 14.735 0.875 1.00 0.00 H new ATOM 0 HH22 ARG A 11 16.865 15.542 0.203 1.00 0.00 H new ATOM 144 N LEU A 12 8.653 17.383 1.283 1.00 0.00 N ATOM 145 CA LEU A 12 7.698 16.859 0.313 1.00 0.00 C ATOM 146 C LEU A 12 7.078 17.987 -0.505 1.00 0.00 C ATOM 147 O LEU A 12 7.069 19.149 -0.099 1.00 0.00 O ATOM 148 CB LEU A 12 6.600 16.067 1.026 1.00 0.00 C ATOM 149 CG LEU A 12 6.937 14.617 1.375 1.00 0.00 C ATOM 150 CD1 LEU A 12 6.997 13.766 0.116 1.00 0.00 C ATOM 151 CD2 LEU A 12 8.253 14.543 2.134 1.00 0.00 C ATOM 0 H LEU A 12 8.396 17.223 2.257 1.00 0.00 H new ATOM 0 HA LEU A 12 8.234 16.195 -0.366 1.00 0.00 H new ATOM 0 HB2 LEU A 12 6.342 16.591 1.946 1.00 0.00 H new ATOM 0 HB3 LEU A 12 5.710 16.071 0.397 1.00 0.00 H new ATOM 0 HG LEU A 12 6.148 14.225 2.017 1.00 0.00 H new ATOM 0 HD11 LEU A 12 7.238 12.737 0.383 1.00 0.00 H new ATOM 0 HD12 LEU A 12 6.031 13.793 -0.388 1.00 0.00 H new ATOM 0 HD13 LEU A 12 7.765 14.157 -0.551 1.00 0.00 H new ATOM 0 HD21 LEU A 12 8.477 13.504 2.374 1.00 0.00 H new ATOM 0 HD22 LEU A 12 9.052 14.953 1.517 1.00 0.00 H new ATOM 0 HD23 LEU A 12 8.174 15.119 3.056 1.00 0.00 H new ATOM 163 N PRO A 13 6.544 17.638 -1.686 1.00 0.00 N ATOM 164 CA PRO A 13 5.909 18.606 -2.585 1.00 0.00 C ATOM 165 C PRO A 13 4.588 19.131 -2.032 1.00 0.00 C ATOM 166 O PRO A 13 3.571 18.441 -2.073 1.00 0.00 O ATOM 167 CB PRO A 13 5.671 17.799 -3.863 1.00 0.00 C ATOM 168 CG PRO A 13 5.588 16.383 -3.408 1.00 0.00 C ATOM 169 CD PRO A 13 6.519 16.271 -2.233 1.00 0.00 C ATOM 0 HA PRO A 13 6.527 19.492 -2.733 1.00 0.00 H new ATOM 0 HB2 PRO A 13 4.753 18.109 -4.361 1.00 0.00 H new ATOM 0 HB3 PRO A 13 6.483 17.939 -4.576 1.00 0.00 H new ATOM 0 HG2 PRO A 13 4.568 16.123 -3.124 1.00 0.00 H new ATOM 0 HG3 PRO A 13 5.881 15.699 -4.205 1.00 0.00 H new ATOM 0 HD2 PRO A 13 6.156 15.551 -1.500 1.00 0.00 H new ATOM 0 HD3 PRO A 13 7.512 15.942 -2.537 1.00 0.00 H new ATOM 177 N GLU A 14 4.613 20.356 -1.516 1.00 0.00 N ATOM 178 CA GLU A 14 3.416 20.971 -0.954 1.00 0.00 C ATOM 179 C GLU A 14 2.284 20.992 -1.977 1.00 0.00 C ATOM 180 O GLU A 14 1.106 20.983 -1.618 1.00 0.00 O ATOM 181 CB GLU A 14 3.721 22.396 -0.486 1.00 0.00 C ATOM 182 CG GLU A 14 4.189 23.316 -1.600 1.00 0.00 C ATOM 183 CD GLU A 14 4.446 24.731 -1.119 1.00 0.00 C ATOM 184 OE1 GLU A 14 3.571 25.289 -0.424 1.00 0.00 O ATOM 185 OE2 GLU A 14 5.521 25.281 -1.437 1.00 0.00 O ATOM 0 H GLU A 14 5.447 20.941 -1.476 1.00 0.00 H new ATOM 0 HA GLU A 14 3.099 20.374 -0.099 1.00 0.00 H new ATOM 0 HB2 GLU A 14 2.826 22.819 -0.029 1.00 0.00 H new ATOM 0 HB3 GLU A 14 4.487 22.359 0.289 1.00 0.00 H new ATOM 0 HG2 GLU A 14 5.102 22.914 -2.039 1.00 0.00 H new ATOM 0 HG3 GLU A 14 3.438 23.335 -2.390 1.00 0.00 H new ATOM 192 N THR A 15 2.650 21.021 -3.255 1.00 0.00 N ATOM 193 CA THR A 15 1.667 21.045 -4.331 1.00 0.00 C ATOM 194 C THR A 15 1.061 19.663 -4.553 1.00 0.00 C ATOM 195 O THR A 15 0.331 19.444 -5.520 1.00 0.00 O ATOM 196 CB THR A 15 2.289 21.538 -5.651 1.00 0.00 C ATOM 197 OG1 THR A 15 3.528 20.861 -5.891 1.00 0.00 O ATOM 198 CG2 THR A 15 2.527 23.040 -5.608 1.00 0.00 C ATOM 0 H THR A 15 3.620 21.028 -3.570 1.00 0.00 H new ATOM 0 HA THR A 15 0.883 21.739 -4.027 1.00 0.00 H new ATOM 0 HB THR A 15 1.592 21.319 -6.460 1.00 0.00 H new ATOM 0 HG1 THR A 15 3.917 21.178 -6.733 1.00 0.00 H new ATOM 0 HG21 THR A 15 2.967 23.366 -6.551 1.00 0.00 H new ATOM 0 HG22 THR A 15 1.579 23.554 -5.453 1.00 0.00 H new ATOM 0 HG23 THR A 15 3.206 23.277 -4.789 1.00 0.00 H new ATOM 206 N ILE A 16 1.369 18.736 -3.653 1.00 0.00 N ATOM 207 CA ILE A 16 0.854 17.376 -3.751 1.00 0.00 C ATOM 208 C ILE A 16 0.455 16.839 -2.381 1.00 0.00 C ATOM 209 O ILE A 16 1.008 17.246 -1.359 1.00 0.00 O ATOM 210 CB ILE A 16 1.889 16.425 -4.382 1.00 0.00 C ATOM 211 CG1 ILE A 16 2.526 17.074 -5.612 1.00 0.00 C ATOM 212 CG2 ILE A 16 1.236 15.102 -4.752 1.00 0.00 C ATOM 213 CD1 ILE A 16 3.605 16.228 -6.251 1.00 0.00 C ATOM 0 H ILE A 16 1.973 18.902 -2.848 1.00 0.00 H new ATOM 0 HA ILE A 16 -0.026 17.418 -4.392 1.00 0.00 H new ATOM 0 HB ILE A 16 2.673 16.228 -3.651 1.00 0.00 H new ATOM 0 HG12 ILE A 16 1.749 17.276 -6.350 1.00 0.00 H new ATOM 0 HG13 ILE A 16 2.951 18.036 -5.326 1.00 0.00 H new ATOM 0 HG21 ILE A 16 1.980 14.441 -5.197 1.00 0.00 H new ATOM 0 HG22 ILE A 16 0.825 14.636 -3.856 1.00 0.00 H new ATOM 0 HG23 ILE A 16 0.434 15.280 -5.469 1.00 0.00 H new ATOM 0 HD11 ILE A 16 4.012 16.750 -7.117 1.00 0.00 H new ATOM 0 HD12 ILE A 16 4.401 16.048 -5.529 1.00 0.00 H new ATOM 0 HD13 ILE A 16 3.180 15.276 -6.568 1.00 0.00 H new ATOM 225 N ASP A 17 -0.505 15.922 -2.367 1.00 0.00 N ATOM 226 CA ASP A 17 -0.976 15.326 -1.122 1.00 0.00 C ATOM 227 C ASP A 17 -0.857 13.805 -1.169 1.00 0.00 C ATOM 228 O ASP A 17 -1.598 13.136 -1.890 1.00 0.00 O ATOM 229 CB ASP A 17 -2.427 15.728 -0.856 1.00 0.00 C ATOM 230 CG ASP A 17 -2.864 15.417 0.562 1.00 0.00 C ATOM 231 OD1 ASP A 17 -3.202 14.246 0.835 1.00 0.00 O ATOM 232 OD2 ASP A 17 -2.866 16.343 1.399 1.00 0.00 O ATOM 0 H ASP A 17 -0.973 15.575 -3.204 1.00 0.00 H new ATOM 0 HA ASP A 17 -0.350 15.697 -0.311 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -2.545 16.795 -1.044 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -3.079 15.207 -1.557 1.00 0.00 H new ATOM 237 N LEU A 18 0.079 13.266 -0.396 1.00 0.00 N ATOM 238 CA LEU A 18 0.296 11.825 -0.349 1.00 0.00 C ATOM 239 C LEU A 18 -1.032 11.076 -0.280 1.00 0.00 C ATOM 240 O LEU A 18 -1.255 10.118 -1.019 1.00 0.00 O ATOM 241 CB LEU A 18 1.164 11.459 0.856 1.00 0.00 C ATOM 242 CG LEU A 18 2.670 11.394 0.603 1.00 0.00 C ATOM 243 CD1 LEU A 18 3.439 11.670 1.886 1.00 0.00 C ATOM 244 CD2 LEU A 18 3.057 10.039 0.029 1.00 0.00 C ATOM 0 H LEU A 18 0.700 13.806 0.207 1.00 0.00 H new ATOM 0 HA LEU A 18 0.811 11.530 -1.263 1.00 0.00 H new ATOM 0 HB2 LEU A 18 0.980 12.187 1.646 1.00 0.00 H new ATOM 0 HB3 LEU A 18 0.837 10.490 1.233 1.00 0.00 H new ATOM 0 HG LEU A 18 2.930 12.162 -0.125 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.509 11.619 1.687 1.00 0.00 H new ATOM 0 HD12 LEU A 18 3.185 12.663 2.256 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.174 10.925 2.636 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.133 10.011 -0.145 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.783 9.254 0.733 1.00 0.00 H new ATOM 0 HD23 LEU A 18 2.533 9.880 -0.914 1.00 0.00 H new ATOM 256 N GLY A 19 -1.911 11.522 0.612 1.00 0.00 N ATOM 257 CA GLY A 19 -3.207 10.885 0.759 1.00 0.00 C ATOM 258 C GLY A 19 -3.896 10.658 -0.572 1.00 0.00 C ATOM 259 O GLY A 19 -4.350 9.552 -0.863 1.00 0.00 O ATOM 0 H GLY A 19 -1.749 12.313 1.235 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -3.083 9.929 1.268 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -3.843 11.503 1.393 1.00 0.00 H new ATOM 263 N ALA A 20 -3.976 11.709 -1.382 1.00 0.00 N ATOM 264 CA ALA A 20 -4.615 11.619 -2.689 1.00 0.00 C ATOM 265 C ALA A 20 -3.859 10.662 -3.605 1.00 0.00 C ATOM 266 O ALA A 20 -4.463 9.934 -4.394 1.00 0.00 O ATOM 267 CB ALA A 20 -4.709 12.997 -3.326 1.00 0.00 C ATOM 0 H ALA A 20 -3.606 12.632 -1.156 1.00 0.00 H new ATOM 0 HA ALA A 20 -5.622 11.226 -2.547 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -5.188 12.915 -4.302 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -5.298 13.654 -2.686 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -3.708 13.411 -3.447 1.00 0.00 H new ATOM 273 N LEU A 21 -2.535 10.666 -3.495 1.00 0.00 N ATOM 274 CA LEU A 21 -1.696 9.798 -4.313 1.00 0.00 C ATOM 275 C LEU A 21 -1.968 8.329 -4.005 1.00 0.00 C ATOM 276 O LEU A 21 -2.228 7.532 -4.906 1.00 0.00 O ATOM 277 CB LEU A 21 -0.218 10.115 -4.079 1.00 0.00 C ATOM 278 CG LEU A 21 0.771 9.447 -5.034 1.00 0.00 C ATOM 279 CD1 LEU A 21 0.148 8.216 -5.674 1.00 0.00 C ATOM 280 CD2 LEU A 21 1.229 10.431 -6.102 1.00 0.00 C ATOM 0 H LEU A 21 -2.019 11.261 -2.847 1.00 0.00 H new ATOM 0 HA LEU A 21 -1.939 9.981 -5.360 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.084 11.195 -4.146 1.00 0.00 H new ATOM 0 HB3 LEU A 21 0.038 9.824 -3.060 1.00 0.00 H new ATOM 0 HG LEU A 21 1.643 9.131 -4.461 1.00 0.00 H new ATOM 0 HD11 LEU A 21 0.867 7.754 -6.350 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.129 7.503 -4.897 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.741 8.507 -6.233 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.933 9.938 -6.773 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.367 10.777 -6.671 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.716 11.283 -5.627 1.00 0.00 H new ATOM 292 N TYR A 22 -1.909 7.979 -2.725 1.00 0.00 N ATOM 293 CA TYR A 22 -2.148 6.606 -2.297 1.00 0.00 C ATOM 294 C TYR A 22 -3.460 6.077 -2.869 1.00 0.00 C ATOM 295 O TYR A 22 -3.583 4.892 -3.180 1.00 0.00 O ATOM 296 CB TYR A 22 -2.175 6.523 -0.769 1.00 0.00 C ATOM 297 CG TYR A 22 -2.858 5.281 -0.242 1.00 0.00 C ATOM 298 CD1 TYR A 22 -2.205 4.055 -0.235 1.00 0.00 C ATOM 299 CD2 TYR A 22 -4.157 5.334 0.248 1.00 0.00 C ATOM 300 CE1 TYR A 22 -2.825 2.917 0.244 1.00 0.00 C ATOM 301 CE2 TYR A 22 -4.784 4.202 0.731 1.00 0.00 C ATOM 302 CZ TYR A 22 -4.114 2.996 0.727 1.00 0.00 C ATOM 303 OH TYR A 22 -4.736 1.866 1.206 1.00 0.00 O ATOM 0 H TYR A 22 -1.698 8.627 -1.966 1.00 0.00 H new ATOM 0 HA TYR A 22 -1.333 5.988 -2.674 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -1.152 6.552 -0.394 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -2.684 7.402 -0.375 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -1.195 3.990 -0.611 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -4.685 6.276 0.251 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -2.303 1.971 0.240 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -5.794 4.261 1.110 1.00 0.00 H new ATOM 0 HH TYR A 22 -4.852 1.943 2.176 1.00 0.00 H new ATOM 313 N LEU A 23 -4.438 6.966 -3.006 1.00 0.00 N ATOM 314 CA LEU A 23 -5.742 6.591 -3.542 1.00 0.00 C ATOM 315 C LEU A 23 -5.630 6.167 -5.002 1.00 0.00 C ATOM 316 O LEU A 23 -6.282 5.217 -5.435 1.00 0.00 O ATOM 317 CB LEU A 23 -6.723 7.758 -3.412 1.00 0.00 C ATOM 318 CG LEU A 23 -7.174 8.101 -1.992 1.00 0.00 C ATOM 319 CD1 LEU A 23 -7.751 9.507 -1.940 1.00 0.00 C ATOM 320 CD2 LEU A 23 -8.193 7.086 -1.496 1.00 0.00 C ATOM 0 H LEU A 23 -4.353 7.951 -2.754 1.00 0.00 H new ATOM 0 HA LEU A 23 -6.114 5.744 -2.965 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.263 8.644 -3.849 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -7.607 7.531 -4.008 1.00 0.00 H new ATOM 0 HG LEU A 23 -6.304 8.063 -1.336 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -8.067 9.733 -0.922 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.992 10.224 -2.252 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -8.609 9.573 -2.609 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -8.503 7.346 -0.484 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -9.062 7.092 -2.154 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -7.745 6.092 -1.494 1.00 0.00 H new ATOM 332 N SER A 24 -4.796 6.876 -5.757 1.00 0.00 N ATOM 333 CA SER A 24 -4.599 6.574 -7.169 1.00 0.00 C ATOM 334 C SER A 24 -3.966 5.197 -7.347 1.00 0.00 C ATOM 335 O SER A 24 -4.217 4.510 -8.336 1.00 0.00 O ATOM 336 CB SER A 24 -3.718 7.641 -7.823 1.00 0.00 C ATOM 337 OG SER A 24 -4.480 8.779 -8.186 1.00 0.00 O ATOM 0 H SER A 24 -4.246 7.664 -5.414 1.00 0.00 H new ATOM 0 HA SER A 24 -5.575 6.572 -7.654 1.00 0.00 H new ATOM 0 HB2 SER A 24 -2.925 7.935 -7.135 1.00 0.00 H new ATOM 0 HB3 SER A 24 -3.235 7.226 -8.707 1.00 0.00 H new ATOM 0 HG SER A 24 -3.894 9.447 -8.600 1.00 0.00 H new ATOM 343 N MET A 25 -3.143 4.802 -6.381 1.00 0.00 N ATOM 344 CA MET A 25 -2.474 3.507 -6.430 1.00 0.00 C ATOM 345 C MET A 25 -3.442 2.382 -6.077 1.00 0.00 C ATOM 346 O MET A 25 -3.226 1.226 -6.442 1.00 0.00 O ATOM 347 CB MET A 25 -1.281 3.489 -5.472 1.00 0.00 C ATOM 348 CG MET A 25 -0.461 4.768 -5.498 1.00 0.00 C ATOM 349 SD MET A 25 0.973 4.697 -4.408 1.00 0.00 S ATOM 350 CE MET A 25 2.295 5.049 -5.564 1.00 0.00 C ATOM 0 H MET A 25 -2.923 5.360 -5.556 1.00 0.00 H new ATOM 0 HA MET A 25 -2.116 3.349 -7.447 1.00 0.00 H new ATOM 0 HB2 MET A 25 -1.643 3.320 -4.458 1.00 0.00 H new ATOM 0 HB3 MET A 25 -0.635 2.648 -5.725 1.00 0.00 H new ATOM 0 HG2 MET A 25 -0.128 4.961 -6.518 1.00 0.00 H new ATOM 0 HG3 MET A 25 -1.093 5.606 -5.206 1.00 0.00 H new ATOM 0 HE1 MET A 25 3.176 4.465 -5.298 1.00 0.00 H new ATOM 0 HE2 MET A 25 1.976 4.785 -6.572 1.00 0.00 H new ATOM 0 HE3 MET A 25 2.538 6.111 -5.526 1.00 0.00 H new ATOM 360 N LYS A 26 -4.509 2.727 -5.364 1.00 0.00 N ATOM 361 CA LYS A 26 -5.511 1.747 -4.962 1.00 0.00 C ATOM 362 C LYS A 26 -6.349 1.304 -6.157 1.00 0.00 C ATOM 363 O LYS A 26 -6.891 0.199 -6.172 1.00 0.00 O ATOM 364 CB LYS A 26 -6.419 2.331 -3.877 1.00 0.00 C ATOM 365 CG LYS A 26 -5.742 2.462 -2.524 1.00 0.00 C ATOM 366 CD LYS A 26 -6.739 2.326 -1.386 1.00 0.00 C ATOM 367 CE LYS A 26 -7.694 3.509 -1.336 1.00 0.00 C ATOM 368 NZ LYS A 26 -8.156 3.790 0.051 1.00 0.00 N ATOM 0 H LYS A 26 -4.702 3.679 -5.052 1.00 0.00 H new ATOM 0 HA LYS A 26 -4.991 0.876 -4.562 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -6.767 3.313 -4.196 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -7.301 1.698 -3.773 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -4.971 1.698 -2.427 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -5.243 3.429 -2.458 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -7.307 1.404 -1.507 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -6.204 2.249 -0.440 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -7.199 4.392 -1.740 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -8.556 3.307 -1.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -9.174 4.005 0.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -7.983 2.957 0.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -7.634 4.605 0.432 1.00 0.00 H new ATOM 382 N ASP A 27 -6.450 2.173 -7.157 1.00 0.00 N ATOM 383 CA ASP A 27 -7.220 1.870 -8.358 1.00 0.00 C ATOM 384 C ASP A 27 -6.758 0.557 -8.983 1.00 0.00 C ATOM 385 O ASP A 27 -5.598 0.166 -8.848 1.00 0.00 O ATOM 386 CB ASP A 27 -7.090 3.006 -9.374 1.00 0.00 C ATOM 387 CG ASP A 27 -8.272 3.075 -10.320 1.00 0.00 C ATOM 388 OD1 ASP A 27 -8.408 2.168 -11.168 1.00 0.00 O ATOM 389 OD2 ASP A 27 -9.062 4.036 -10.213 1.00 0.00 O ATOM 0 H ASP A 27 -6.009 3.092 -7.160 1.00 0.00 H new ATOM 0 HA ASP A 27 -8.267 1.767 -8.072 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -6.996 3.954 -8.844 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -6.175 2.871 -9.950 1.00 0.00 H new ATOM 394 N THR A 28 -7.673 -0.121 -9.669 1.00 0.00 N ATOM 395 CA THR A 28 -7.361 -1.390 -10.313 1.00 0.00 C ATOM 396 C THR A 28 -6.695 -1.171 -11.666 1.00 0.00 C ATOM 397 O THR A 28 -5.814 -1.933 -12.065 1.00 0.00 O ATOM 398 CB THR A 28 -8.626 -2.247 -10.509 1.00 0.00 C ATOM 399 OG1 THR A 28 -8.269 -3.628 -10.631 1.00 0.00 O ATOM 400 CG2 THR A 28 -9.392 -1.805 -11.747 1.00 0.00 C ATOM 0 H THR A 28 -8.637 0.188 -9.793 1.00 0.00 H new ATOM 0 HA THR A 28 -6.672 -1.918 -9.653 1.00 0.00 H new ATOM 0 HB THR A 28 -9.267 -2.114 -9.637 1.00 0.00 H new ATOM 0 HG1 THR A 28 -9.079 -4.166 -10.754 1.00 0.00 H new ATOM 0 HG21 THR A 28 -10.281 -2.424 -11.865 1.00 0.00 H new ATOM 0 HG22 THR A 28 -9.688 -0.762 -11.638 1.00 0.00 H new ATOM 0 HG23 THR A 28 -8.756 -1.912 -12.626 1.00 0.00 H new ATOM 408 N GLU A 29 -7.120 -0.125 -12.368 1.00 0.00 N ATOM 409 CA GLU A 29 -6.563 0.193 -13.677 1.00 0.00 C ATOM 410 C GLU A 29 -5.697 1.448 -13.609 1.00 0.00 C ATOM 411 O GLU A 29 -4.796 1.640 -14.427 1.00 0.00 O ATOM 412 CB GLU A 29 -7.685 0.389 -14.699 1.00 0.00 C ATOM 413 CG GLU A 29 -8.907 1.094 -14.134 1.00 0.00 C ATOM 414 CD GLU A 29 -9.677 1.862 -15.191 1.00 0.00 C ATOM 415 OE1 GLU A 29 -9.051 2.311 -16.173 1.00 0.00 O ATOM 416 OE2 GLU A 29 -10.907 2.013 -15.034 1.00 0.00 O ATOM 0 H GLU A 29 -7.848 0.516 -12.052 1.00 0.00 H new ATOM 0 HA GLU A 29 -5.938 -0.643 -13.991 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -7.301 0.964 -15.541 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -7.985 -0.584 -15.088 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -9.566 0.358 -13.673 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -8.595 1.780 -13.347 1.00 0.00 H new ATOM 423 N LYS A 30 -5.976 2.300 -12.629 1.00 0.00 N ATOM 424 CA LYS A 30 -5.224 3.537 -12.452 1.00 0.00 C ATOM 425 C LYS A 30 -4.324 3.455 -11.224 1.00 0.00 C ATOM 426 O LYS A 30 -3.804 4.466 -10.755 1.00 0.00 O ATOM 427 CB LYS A 30 -6.179 4.725 -12.319 1.00 0.00 C ATOM 428 CG LYS A 30 -7.326 4.697 -13.315 1.00 0.00 C ATOM 429 CD LYS A 30 -6.970 5.434 -14.596 1.00 0.00 C ATOM 430 CE LYS A 30 -8.133 5.442 -15.576 1.00 0.00 C ATOM 431 NZ LYS A 30 -9.302 6.195 -15.043 1.00 0.00 N ATOM 0 H LYS A 30 -6.718 2.157 -11.944 1.00 0.00 H new ATOM 0 HA LYS A 30 -4.597 3.680 -13.332 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -6.587 4.741 -11.308 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -5.617 5.649 -12.451 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -7.582 3.663 -13.548 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -8.210 5.151 -12.867 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -6.685 6.459 -14.360 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -6.105 4.961 -15.061 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -7.812 5.888 -16.517 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -8.431 4.417 -15.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -9.975 6.382 -15.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -9.770 5.632 -14.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -8.979 7.097 -14.639 1.00 0.00 H new ATOM 445 N GLY A 31 -4.143 2.243 -10.708 1.00 0.00 N ATOM 446 CA GLY A 31 -3.304 2.052 -9.539 1.00 0.00 C ATOM 447 C GLY A 31 -2.159 1.093 -9.798 1.00 0.00 C ATOM 448 O GLY A 31 -2.069 0.499 -10.873 1.00 0.00 O ATOM 0 H GLY A 31 -4.562 1.390 -11.079 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -2.903 3.015 -9.222 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -3.912 1.674 -8.717 1.00 0.00 H new ATOM 452 N ILE A 32 -1.280 0.943 -8.812 1.00 0.00 N ATOM 453 CA ILE A 32 -0.135 0.050 -8.939 1.00 0.00 C ATOM 454 C ILE A 32 -0.579 -1.407 -9.008 1.00 0.00 C ATOM 455 O ILE A 32 -1.363 -1.869 -8.178 1.00 0.00 O ATOM 456 CB ILE A 32 0.846 0.222 -7.765 1.00 0.00 C ATOM 457 CG1 ILE A 32 1.482 1.613 -7.802 1.00 0.00 C ATOM 458 CG2 ILE A 32 1.916 -0.858 -7.807 1.00 0.00 C ATOM 459 CD1 ILE A 32 2.112 2.025 -6.490 1.00 0.00 C ATOM 0 H ILE A 32 -1.339 1.428 -7.917 1.00 0.00 H new ATOM 0 HA ILE A 32 0.372 0.317 -9.866 1.00 0.00 H new ATOM 0 HB ILE A 32 0.293 0.122 -6.831 1.00 0.00 H new ATOM 0 HG12 ILE A 32 2.242 1.635 -8.583 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.721 2.344 -8.076 1.00 0.00 H new ATOM 0 HG21 ILE A 32 2.602 -0.723 -6.971 1.00 0.00 H new ATOM 0 HG22 ILE A 32 1.446 -1.839 -7.736 1.00 0.00 H new ATOM 0 HG23 ILE A 32 2.468 -0.787 -8.744 1.00 0.00 H new ATOM 0 HD11 ILE A 32 2.543 3.021 -6.590 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.352 2.035 -5.709 1.00 0.00 H new ATOM 0 HD13 ILE A 32 2.896 1.316 -6.224 1.00 0.00 H new ATOM 471 N LYS A 33 -0.072 -2.128 -10.002 1.00 0.00 N ATOM 472 CA LYS A 33 -0.413 -3.535 -10.178 1.00 0.00 C ATOM 473 C LYS A 33 0.235 -4.392 -9.095 1.00 0.00 C ATOM 474 O LYS A 33 1.361 -4.129 -8.674 1.00 0.00 O ATOM 475 CB LYS A 33 0.033 -4.019 -11.560 1.00 0.00 C ATOM 476 CG LYS A 33 -1.023 -3.839 -12.637 1.00 0.00 C ATOM 477 CD LYS A 33 -2.159 -4.834 -12.476 1.00 0.00 C ATOM 478 CE LYS A 33 -1.798 -6.192 -13.060 1.00 0.00 C ATOM 479 NZ LYS A 33 -2.998 -6.917 -13.562 1.00 0.00 N ATOM 0 H LYS A 33 0.577 -1.761 -10.698 1.00 0.00 H new ATOM 0 HA LYS A 33 -1.495 -3.634 -10.096 1.00 0.00 H new ATOM 0 HB2 LYS A 33 0.934 -3.479 -11.852 1.00 0.00 H new ATOM 0 HB3 LYS A 33 0.300 -5.074 -11.498 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -1.418 -2.824 -12.594 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -0.567 -3.962 -13.619 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -2.401 -4.944 -11.419 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -3.052 -4.451 -12.969 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -1.087 -6.059 -13.875 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -1.302 -6.794 -12.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -2.710 -7.837 -13.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -3.666 -7.067 -12.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -3.457 -6.354 -14.306 1.00 0.00 H new ATOM 493 N GLU A 34 -0.485 -5.417 -8.649 1.00 0.00 N ATOM 494 CA GLU A 34 0.021 -6.312 -7.615 1.00 0.00 C ATOM 495 C GLU A 34 0.345 -7.685 -8.195 1.00 0.00 C ATOM 496 O GLU A 34 -0.502 -8.322 -8.823 1.00 0.00 O ATOM 497 CB GLU A 34 -1.001 -6.451 -6.485 1.00 0.00 C ATOM 498 CG GLU A 34 -1.612 -5.130 -6.051 1.00 0.00 C ATOM 499 CD GLU A 34 -2.839 -4.760 -6.862 1.00 0.00 C ATOM 500 OE1 GLU A 34 -3.454 -5.672 -7.454 1.00 0.00 O ATOM 501 OE2 GLU A 34 -3.184 -3.561 -6.904 1.00 0.00 O ATOM 0 H GLU A 34 -1.419 -5.648 -8.987 1.00 0.00 H new ATOM 0 HA GLU A 34 0.938 -5.881 -7.214 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -1.798 -7.121 -6.807 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -0.519 -6.918 -5.626 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -1.882 -5.188 -4.997 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -0.867 -4.341 -6.146 1.00 0.00 H new ATOM 508 N LEU A 35 1.576 -8.136 -7.980 1.00 0.00 N ATOM 509 CA LEU A 35 2.014 -9.434 -8.482 1.00 0.00 C ATOM 510 C LEU A 35 2.327 -10.385 -7.331 1.00 0.00 C ATOM 511 O LEU A 35 2.648 -9.953 -6.225 1.00 0.00 O ATOM 512 CB LEU A 35 3.247 -9.270 -9.372 1.00 0.00 C ATOM 513 CG LEU A 35 3.062 -8.412 -10.624 1.00 0.00 C ATOM 514 CD1 LEU A 35 1.745 -8.745 -11.309 1.00 0.00 C ATOM 515 CD2 LEU A 35 3.121 -6.933 -10.271 1.00 0.00 C ATOM 0 H LEU A 35 2.288 -7.622 -7.462 1.00 0.00 H new ATOM 0 HA LEU A 35 1.202 -9.860 -9.072 1.00 0.00 H new ATOM 0 HB2 LEU A 35 4.047 -8.835 -8.773 1.00 0.00 H new ATOM 0 HB3 LEU A 35 3.582 -10.260 -9.681 1.00 0.00 H new ATOM 0 HG LEU A 35 3.875 -8.633 -11.316 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.630 -8.125 -12.198 1.00 0.00 H new ATOM 0 HD12 LEU A 35 1.740 -9.796 -11.597 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.920 -8.553 -10.624 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.987 -6.338 -11.174 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.329 -6.697 -9.560 1.00 0.00 H new ATOM 0 HD23 LEU A 35 4.089 -6.704 -9.825 1.00 0.00 H new ATOM 527 N ASN A 36 2.232 -11.683 -7.601 1.00 0.00 N ATOM 528 CA ASN A 36 2.506 -12.696 -6.588 1.00 0.00 C ATOM 529 C ASN A 36 3.879 -13.325 -6.805 1.00 0.00 C ATOM 530 O ASN A 36 4.053 -14.177 -7.677 1.00 0.00 O ATOM 531 CB ASN A 36 1.427 -13.780 -6.615 1.00 0.00 C ATOM 532 CG ASN A 36 0.028 -13.206 -6.496 1.00 0.00 C ATOM 533 OD1 ASN A 36 -0.153 -12.070 -6.057 1.00 0.00 O ATOM 534 ND2 ASN A 36 -0.969 -13.992 -6.886 1.00 0.00 N ATOM 0 H ASN A 36 1.968 -12.058 -8.512 1.00 0.00 H new ATOM 0 HA ASN A 36 2.498 -12.209 -5.613 1.00 0.00 H new ATOM 0 HB2 ASN A 36 1.507 -14.346 -7.543 1.00 0.00 H new ATOM 0 HB3 ASN A 36 1.600 -14.481 -5.799 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -1.932 -13.661 -6.828 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -0.772 -14.927 -7.244 1.00 0.00 H new ATOM 541 N LEU A 37 4.852 -12.899 -6.007 1.00 0.00 N ATOM 542 CA LEU A 37 6.210 -13.420 -6.110 1.00 0.00 C ATOM 543 C LEU A 37 6.510 -14.390 -4.971 1.00 0.00 C ATOM 544 O LEU A 37 5.738 -14.502 -4.020 1.00 0.00 O ATOM 545 CB LEU A 37 7.221 -12.272 -6.096 1.00 0.00 C ATOM 546 CG LEU A 37 6.950 -11.127 -7.073 1.00 0.00 C ATOM 547 CD1 LEU A 37 7.492 -9.817 -6.525 1.00 0.00 C ATOM 548 CD2 LEU A 37 7.560 -11.432 -8.434 1.00 0.00 C ATOM 0 H LEU A 37 4.725 -12.194 -5.281 1.00 0.00 H new ATOM 0 HA LEU A 37 6.294 -13.959 -7.054 1.00 0.00 H new ATOM 0 HB2 LEU A 37 7.260 -11.861 -5.087 1.00 0.00 H new ATOM 0 HB3 LEU A 37 8.208 -12.681 -6.312 1.00 0.00 H new ATOM 0 HG LEU A 37 5.871 -11.026 -7.195 1.00 0.00 H new ATOM 0 HD11 LEU A 37 7.290 -9.014 -7.234 1.00 0.00 H new ATOM 0 HD12 LEU A 37 7.008 -9.592 -5.575 1.00 0.00 H new ATOM 0 HD13 LEU A 37 8.568 -9.904 -6.373 1.00 0.00 H new ATOM 0 HD21 LEU A 37 7.358 -10.607 -9.117 1.00 0.00 H new ATOM 0 HD22 LEU A 37 8.637 -11.560 -8.329 1.00 0.00 H new ATOM 0 HD23 LEU A 37 7.122 -12.348 -8.832 1.00 0.00 H new ATOM 560 N GLU A 38 7.637 -15.087 -5.076 1.00 0.00 N ATOM 561 CA GLU A 38 8.039 -16.046 -4.053 1.00 0.00 C ATOM 562 C GLU A 38 9.506 -15.858 -3.677 1.00 0.00 C ATOM 563 O GLU A 38 10.405 -16.242 -4.425 1.00 0.00 O ATOM 564 CB GLU A 38 7.806 -17.476 -4.545 1.00 0.00 C ATOM 565 CG GLU A 38 7.812 -18.511 -3.432 1.00 0.00 C ATOM 566 CD GLU A 38 8.317 -19.863 -3.895 1.00 0.00 C ATOM 567 OE1 GLU A 38 7.534 -20.604 -4.526 1.00 0.00 O ATOM 568 OE2 GLU A 38 9.494 -20.181 -3.626 1.00 0.00 O ATOM 0 H GLU A 38 8.287 -15.006 -5.858 1.00 0.00 H new ATOM 0 HA GLU A 38 7.430 -15.870 -3.166 1.00 0.00 H new ATOM 0 HB2 GLU A 38 6.850 -17.521 -5.066 1.00 0.00 H new ATOM 0 HB3 GLU A 38 8.577 -17.732 -5.272 1.00 0.00 H new ATOM 0 HG2 GLU A 38 8.437 -18.155 -2.613 1.00 0.00 H new ATOM 0 HG3 GLU A 38 6.802 -18.620 -3.037 1.00 0.00 H new ATOM 575 N LYS A 39 9.740 -15.264 -2.512 1.00 0.00 N ATOM 576 CA LYS A 39 11.096 -15.024 -2.034 1.00 0.00 C ATOM 577 C LYS A 39 11.424 -15.928 -0.850 1.00 0.00 C ATOM 578 O LYS A 39 10.564 -16.206 -0.013 1.00 0.00 O ATOM 579 CB LYS A 39 11.266 -13.557 -1.632 1.00 0.00 C ATOM 580 CG LYS A 39 12.636 -13.238 -1.059 1.00 0.00 C ATOM 581 CD LYS A 39 13.607 -12.806 -2.144 1.00 0.00 C ATOM 582 CE LYS A 39 14.373 -13.991 -2.711 1.00 0.00 C ATOM 583 NZ LYS A 39 15.349 -13.573 -3.755 1.00 0.00 N ATOM 0 H LYS A 39 9.007 -14.940 -1.881 1.00 0.00 H new ATOM 0 HA LYS A 39 11.786 -15.254 -2.846 1.00 0.00 H new ATOM 0 HB2 LYS A 39 11.091 -12.927 -2.504 1.00 0.00 H new ATOM 0 HB3 LYS A 39 10.505 -13.300 -0.895 1.00 0.00 H new ATOM 0 HG2 LYS A 39 12.545 -12.447 -0.315 1.00 0.00 H new ATOM 0 HG3 LYS A 39 13.030 -14.115 -0.545 1.00 0.00 H new ATOM 0 HD2 LYS A 39 13.061 -12.308 -2.945 1.00 0.00 H new ATOM 0 HD3 LYS A 39 14.309 -12.079 -1.737 1.00 0.00 H new ATOM 0 HE2 LYS A 39 14.900 -14.502 -1.905 1.00 0.00 H new ATOM 0 HE3 LYS A 39 13.670 -14.707 -3.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 15.851 -14.409 -4.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 14.844 -13.108 -4.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 16.035 -12.909 -3.343 1.00 0.00 H new ATOM 597 N ASP A 40 12.670 -16.382 -0.785 1.00 0.00 N ATOM 598 CA ASP A 40 13.111 -17.253 0.299 1.00 0.00 C ATOM 599 C ASP A 40 11.997 -18.206 0.718 1.00 0.00 C ATOM 600 O ASP A 40 11.694 -18.342 1.903 1.00 0.00 O ATOM 601 CB ASP A 40 13.564 -16.419 1.499 1.00 0.00 C ATOM 602 CG ASP A 40 14.627 -17.120 2.322 1.00 0.00 C ATOM 603 OD1 ASP A 40 15.501 -17.781 1.723 1.00 0.00 O ATOM 604 OD2 ASP A 40 14.584 -17.009 3.565 1.00 0.00 O ATOM 0 H ASP A 40 13.393 -16.162 -1.470 1.00 0.00 H new ATOM 0 HA ASP A 40 13.953 -17.844 -0.062 1.00 0.00 H new ATOM 0 HB2 ASP A 40 13.952 -15.463 1.148 1.00 0.00 H new ATOM 0 HB3 ASP A 40 12.704 -16.201 2.132 1.00 0.00 H new ATOM 609 N LYS A 41 11.388 -18.864 -0.263 1.00 0.00 N ATOM 610 CA LYS A 41 10.307 -19.806 0.002 1.00 0.00 C ATOM 611 C LYS A 41 9.147 -19.116 0.714 1.00 0.00 C ATOM 612 O LYS A 41 8.590 -19.647 1.674 1.00 0.00 O ATOM 613 CB LYS A 41 10.816 -20.974 0.849 1.00 0.00 C ATOM 614 CG LYS A 41 11.937 -21.760 0.191 1.00 0.00 C ATOM 615 CD LYS A 41 11.395 -22.887 -0.673 1.00 0.00 C ATOM 616 CE LYS A 41 11.131 -22.421 -2.096 1.00 0.00 C ATOM 617 NZ LYS A 41 10.910 -23.566 -3.022 1.00 0.00 N ATOM 0 H LYS A 41 11.625 -18.762 -1.250 1.00 0.00 H new ATOM 0 HA LYS A 41 9.949 -20.188 -0.954 1.00 0.00 H new ATOM 0 HB2 LYS A 41 11.166 -20.591 1.808 1.00 0.00 H new ATOM 0 HB3 LYS A 41 9.986 -21.648 1.059 1.00 0.00 H new ATOM 0 HG2 LYS A 41 12.542 -21.090 -0.420 1.00 0.00 H new ATOM 0 HG3 LYS A 41 12.593 -22.172 0.958 1.00 0.00 H new ATOM 0 HD2 LYS A 41 12.107 -23.712 -0.686 1.00 0.00 H new ATOM 0 HD3 LYS A 41 10.472 -23.269 -0.237 1.00 0.00 H new ATOM 0 HE2 LYS A 41 10.257 -21.770 -2.109 1.00 0.00 H new ATOM 0 HE3 LYS A 41 11.976 -21.828 -2.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 10.733 -23.207 -3.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 11.754 -24.174 -3.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 10.088 -24.118 -2.702 1.00 0.00 H new ATOM 631 N LYS A 42 8.787 -17.930 0.235 1.00 0.00 N ATOM 632 CA LYS A 42 7.691 -17.168 0.823 1.00 0.00 C ATOM 633 C LYS A 42 6.943 -16.378 -0.246 1.00 0.00 C ATOM 634 O LYS A 42 7.542 -15.602 -0.991 1.00 0.00 O ATOM 635 CB LYS A 42 8.224 -16.216 1.896 1.00 0.00 C ATOM 636 CG LYS A 42 8.704 -16.923 3.152 1.00 0.00 C ATOM 637 CD LYS A 42 9.083 -15.931 4.240 1.00 0.00 C ATOM 638 CE LYS A 42 7.890 -15.584 5.117 1.00 0.00 C ATOM 639 NZ LYS A 42 8.305 -14.897 6.371 1.00 0.00 N ATOM 0 H LYS A 42 9.238 -17.475 -0.559 1.00 0.00 H new ATOM 0 HA LYS A 42 6.997 -17.872 1.282 1.00 0.00 H new ATOM 0 HB2 LYS A 42 9.047 -15.636 1.479 1.00 0.00 H new ATOM 0 HB3 LYS A 42 7.439 -15.509 2.165 1.00 0.00 H new ATOM 0 HG2 LYS A 42 7.921 -17.586 3.519 1.00 0.00 H new ATOM 0 HG3 LYS A 42 9.564 -17.548 2.913 1.00 0.00 H new ATOM 0 HD2 LYS A 42 9.879 -16.351 4.856 1.00 0.00 H new ATOM 0 HD3 LYS A 42 9.478 -15.023 3.785 1.00 0.00 H new ATOM 0 HE2 LYS A 42 7.205 -14.943 4.562 1.00 0.00 H new ATOM 0 HE3 LYS A 42 7.345 -16.495 5.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 7.464 -14.677 6.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 8.939 -15.518 6.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 8.803 -14.015 6.135 1.00 0.00 H new ATOM 653 N ILE A 43 5.632 -16.579 -0.315 1.00 0.00 N ATOM 654 CA ILE A 43 4.802 -15.884 -1.291 1.00 0.00 C ATOM 655 C ILE A 43 4.197 -14.617 -0.695 1.00 0.00 C ATOM 656 O ILE A 43 3.725 -14.617 0.442 1.00 0.00 O ATOM 657 CB ILE A 43 3.668 -16.786 -1.811 1.00 0.00 C ATOM 658 CG1 ILE A 43 4.244 -18.051 -2.449 1.00 0.00 C ATOM 659 CG2 ILE A 43 2.804 -16.029 -2.808 1.00 0.00 C ATOM 660 CD1 ILE A 43 4.535 -17.904 -3.927 1.00 0.00 C ATOM 0 H ILE A 43 5.121 -17.218 0.294 1.00 0.00 H new ATOM 0 HA ILE A 43 5.452 -15.616 -2.124 1.00 0.00 H new ATOM 0 HB ILE A 43 3.043 -17.080 -0.968 1.00 0.00 H new ATOM 0 HG12 ILE A 43 5.164 -18.323 -1.931 1.00 0.00 H new ATOM 0 HG13 ILE A 43 3.542 -18.873 -2.305 1.00 0.00 H new ATOM 0 HG21 ILE A 43 2.007 -16.680 -3.167 1.00 0.00 H new ATOM 0 HG22 ILE A 43 2.369 -15.156 -2.323 1.00 0.00 H new ATOM 0 HG23 ILE A 43 3.417 -15.708 -3.650 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.941 -18.839 -4.313 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.614 -17.662 -4.457 1.00 0.00 H new ATOM 0 HD13 ILE A 43 5.260 -17.104 -4.077 1.00 0.00 H new ATOM 672 N PHE A 44 4.213 -13.539 -1.471 1.00 0.00 N ATOM 673 CA PHE A 44 3.665 -12.264 -1.021 1.00 0.00 C ATOM 674 C PHE A 44 2.585 -11.768 -1.977 1.00 0.00 C ATOM 675 O PHE A 44 2.799 -10.825 -2.737 1.00 0.00 O ATOM 676 CB PHE A 44 4.777 -11.220 -0.903 1.00 0.00 C ATOM 677 CG PHE A 44 5.812 -11.560 0.131 1.00 0.00 C ATOM 678 CD1 PHE A 44 6.865 -12.406 -0.177 1.00 0.00 C ATOM 679 CD2 PHE A 44 5.732 -11.034 1.410 1.00 0.00 C ATOM 680 CE1 PHE A 44 7.819 -12.721 0.773 1.00 0.00 C ATOM 681 CE2 PHE A 44 6.683 -11.345 2.364 1.00 0.00 C ATOM 682 CZ PHE A 44 7.728 -12.189 2.044 1.00 0.00 C ATOM 0 H PHE A 44 4.599 -13.522 -2.415 1.00 0.00 H new ATOM 0 HA PHE A 44 3.214 -12.417 -0.040 1.00 0.00 H new ATOM 0 HB2 PHE A 44 5.265 -11.110 -1.871 1.00 0.00 H new ATOM 0 HB3 PHE A 44 4.334 -10.255 -0.658 1.00 0.00 H new ATOM 0 HD1 PHE A 44 6.942 -12.824 -1.170 1.00 0.00 H new ATOM 0 HD2 PHE A 44 4.917 -10.373 1.665 1.00 0.00 H new ATOM 0 HE1 PHE A 44 8.635 -13.383 0.521 1.00 0.00 H new ATOM 0 HE2 PHE A 44 6.609 -10.929 3.358 1.00 0.00 H new ATOM 0 HZ PHE A 44 8.473 -12.433 2.787 1.00 0.00 H new ATOM 692 N ASN A 45 1.423 -12.413 -1.934 1.00 0.00 N ATOM 693 CA ASN A 45 0.309 -12.038 -2.797 1.00 0.00 C ATOM 694 C ASN A 45 -0.046 -10.565 -2.620 1.00 0.00 C ATOM 695 O ASN A 45 0.401 -9.917 -1.673 1.00 0.00 O ATOM 696 CB ASN A 45 -0.913 -12.908 -2.494 1.00 0.00 C ATOM 697 CG ASN A 45 -0.848 -14.257 -3.185 1.00 0.00 C ATOM 698 OD1 ASN A 45 -1.218 -14.387 -4.352 1.00 0.00 O ATOM 699 ND2 ASN A 45 -0.377 -15.268 -2.465 1.00 0.00 N ATOM 0 H ASN A 45 1.229 -13.197 -1.311 1.00 0.00 H new ATOM 0 HA ASN A 45 0.614 -12.198 -3.831 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -0.991 -13.058 -1.417 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -1.816 -12.384 -2.809 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -0.310 -16.199 -2.876 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -0.082 -15.114 -1.501 1.00 0.00 H new ATOM 706 N HIS A 46 -0.852 -10.042 -3.538 1.00 0.00 N ATOM 707 CA HIS A 46 -1.268 -8.645 -3.483 1.00 0.00 C ATOM 708 C HIS A 46 -0.085 -7.738 -3.156 1.00 0.00 C ATOM 709 O HIS A 46 -0.225 -6.761 -2.419 1.00 0.00 O ATOM 710 CB HIS A 46 -2.371 -8.460 -2.440 1.00 0.00 C ATOM 711 CG HIS A 46 -3.663 -9.120 -2.812 1.00 0.00 C ATOM 712 ND1 HIS A 46 -4.529 -8.604 -3.752 1.00 0.00 N ATOM 713 CD2 HIS A 46 -4.234 -10.263 -2.364 1.00 0.00 C ATOM 714 CE1 HIS A 46 -5.578 -9.400 -3.866 1.00 0.00 C ATOM 715 NE2 HIS A 46 -5.423 -10.414 -3.034 1.00 0.00 N ATOM 0 H HIS A 46 -1.230 -10.564 -4.329 1.00 0.00 H new ATOM 0 HA HIS A 46 -1.655 -8.368 -4.464 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -2.029 -8.861 -1.486 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -2.546 -7.394 -2.293 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -3.830 -10.932 -1.618 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -6.419 -9.247 -4.527 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -6.080 -11.184 -2.909 1.00 0.00 H new ATOM 724 N CYS A 47 1.077 -8.069 -3.707 1.00 0.00 N ATOM 725 CA CYS A 47 2.285 -7.285 -3.472 1.00 0.00 C ATOM 726 C CYS A 47 2.929 -6.871 -4.791 1.00 0.00 C ATOM 727 O CYS A 47 2.855 -7.595 -5.784 1.00 0.00 O ATOM 728 CB CYS A 47 3.282 -8.085 -2.633 1.00 0.00 C ATOM 729 SG CYS A 47 4.366 -7.067 -1.605 1.00 0.00 S ATOM 0 H CYS A 47 1.209 -8.874 -4.319 1.00 0.00 H new ATOM 0 HA CYS A 47 2.004 -6.384 -2.927 1.00 0.00 H new ATOM 0 HB2 CYS A 47 2.731 -8.773 -1.991 1.00 0.00 H new ATOM 0 HB3 CYS A 47 3.895 -8.692 -3.298 1.00 0.00 H new ATOM 0 HG CYS A 47 4.473 -5.882 -2.128 1.00 0.00 H new ATOM 735 N PHE A 48 3.559 -5.701 -4.794 1.00 0.00 N ATOM 736 CA PHE A 48 4.215 -5.189 -5.992 1.00 0.00 C ATOM 737 C PHE A 48 5.724 -5.099 -5.790 1.00 0.00 C ATOM 738 O PHE A 48 6.249 -5.498 -4.749 1.00 0.00 O ATOM 739 CB PHE A 48 3.654 -3.813 -6.357 1.00 0.00 C ATOM 740 CG PHE A 48 3.207 -3.013 -5.167 1.00 0.00 C ATOM 741 CD1 PHE A 48 1.969 -3.240 -4.588 1.00 0.00 C ATOM 742 CD2 PHE A 48 4.025 -2.034 -4.627 1.00 0.00 C ATOM 743 CE1 PHE A 48 1.555 -2.506 -3.492 1.00 0.00 C ATOM 744 CE2 PHE A 48 3.617 -1.297 -3.531 1.00 0.00 C ATOM 745 CZ PHE A 48 2.380 -1.533 -2.964 1.00 0.00 C ATOM 0 H PHE A 48 3.629 -5.090 -3.981 1.00 0.00 H new ATOM 0 HA PHE A 48 4.017 -5.883 -6.809 1.00 0.00 H new ATOM 0 HB2 PHE A 48 4.415 -3.251 -6.897 1.00 0.00 H new ATOM 0 HB3 PHE A 48 2.811 -3.942 -7.036 1.00 0.00 H new ATOM 0 HD1 PHE A 48 1.320 -3.999 -4.998 1.00 0.00 H new ATOM 0 HD2 PHE A 48 4.993 -1.844 -5.067 1.00 0.00 H new ATOM 0 HE1 PHE A 48 0.588 -2.693 -3.050 1.00 0.00 H new ATOM 0 HE2 PHE A 48 4.265 -0.538 -3.119 1.00 0.00 H new ATOM 0 HZ PHE A 48 2.058 -0.957 -2.109 1.00 0.00 H new ATOM 755 N THR A 49 6.419 -4.571 -6.793 1.00 0.00 N ATOM 756 CA THR A 49 7.868 -4.430 -6.728 1.00 0.00 C ATOM 757 C THR A 49 8.274 -2.962 -6.649 1.00 0.00 C ATOM 758 O THR A 49 7.680 -2.108 -7.305 1.00 0.00 O ATOM 759 CB THR A 49 8.552 -5.075 -7.948 1.00 0.00 C ATOM 760 OG1 THR A 49 7.998 -4.545 -9.157 1.00 0.00 O ATOM 761 CG2 THR A 49 8.382 -6.587 -7.927 1.00 0.00 C ATOM 0 H THR A 49 6.001 -4.234 -7.660 1.00 0.00 H new ATOM 0 HA THR A 49 8.195 -4.945 -5.824 1.00 0.00 H new ATOM 0 HB THR A 49 9.616 -4.844 -7.904 1.00 0.00 H new ATOM 0 HG1 THR A 49 8.439 -4.959 -9.928 1.00 0.00 H new ATOM 0 HG21 THR A 49 8.873 -7.020 -8.798 1.00 0.00 H new ATOM 0 HG22 THR A 49 8.830 -6.991 -7.019 1.00 0.00 H new ATOM 0 HG23 THR A 49 7.321 -6.834 -7.949 1.00 0.00 H new ATOM 769 N GLY A 50 9.292 -2.677 -5.842 1.00 0.00 N ATOM 770 CA GLY A 50 9.760 -1.311 -5.694 1.00 0.00 C ATOM 771 C GLY A 50 9.670 -0.523 -6.986 1.00 0.00 C ATOM 772 O GLY A 50 8.888 0.420 -7.092 1.00 0.00 O ATOM 0 H GLY A 50 9.800 -3.367 -5.289 1.00 0.00 H new ATOM 0 HA2 GLY A 50 9.172 -0.810 -4.925 1.00 0.00 H new ATOM 0 HA3 GLY A 50 10.794 -1.320 -5.349 1.00 0.00 H new ATOM 776 N ASN A 51 10.473 -0.911 -7.971 1.00 0.00 N ATOM 777 CA ASN A 51 10.482 -0.233 -9.262 1.00 0.00 C ATOM 778 C ASN A 51 9.069 0.169 -9.675 1.00 0.00 C ATOM 779 O ASN A 51 8.756 1.355 -9.781 1.00 0.00 O ATOM 780 CB ASN A 51 11.101 -1.135 -10.331 1.00 0.00 C ATOM 781 CG ASN A 51 11.036 -0.519 -11.716 1.00 0.00 C ATOM 782 OD1 ASN A 51 9.995 -0.014 -12.135 1.00 0.00 O ATOM 783 ND2 ASN A 51 12.153 -0.558 -12.434 1.00 0.00 N ATOM 0 H ASN A 51 11.126 -1.691 -7.900 1.00 0.00 H new ATOM 0 HA ASN A 51 11.084 0.670 -9.166 1.00 0.00 H new ATOM 0 HB2 ASN A 51 12.141 -1.337 -10.075 1.00 0.00 H new ATOM 0 HB3 ASN A 51 10.583 -2.094 -10.338 1.00 0.00 H new ATOM 0 HD21 ASN A 51 12.170 -0.159 -13.373 1.00 0.00 H new ATOM 0 HD22 ASN A 51 12.994 -0.987 -12.047 1.00 0.00 H new ATOM 790 N CYS A 52 8.221 -0.827 -9.907 1.00 0.00 N ATOM 791 CA CYS A 52 6.841 -0.578 -10.309 1.00 0.00 C ATOM 792 C CYS A 52 6.293 0.671 -9.627 1.00 0.00 C ATOM 793 O CYS A 52 5.670 1.518 -10.267 1.00 0.00 O ATOM 794 CB CYS A 52 5.965 -1.785 -9.971 1.00 0.00 C ATOM 795 SG CYS A 52 6.057 -3.126 -11.180 1.00 0.00 S ATOM 0 H CYS A 52 8.465 -1.814 -9.824 1.00 0.00 H new ATOM 0 HA CYS A 52 6.825 -0.417 -11.387 1.00 0.00 H new ATOM 0 HB2 CYS A 52 6.257 -2.170 -8.994 1.00 0.00 H new ATOM 0 HB3 CYS A 52 4.929 -1.456 -9.887 1.00 0.00 H new ATOM 0 HG CYS A 52 6.843 -4.060 -10.733 1.00 0.00 H new ATOM 801 N VAL A 53 6.529 0.779 -8.323 1.00 0.00 N ATOM 802 CA VAL A 53 6.059 1.924 -7.553 1.00 0.00 C ATOM 803 C VAL A 53 6.628 3.227 -8.102 1.00 0.00 C ATOM 804 O VAL A 53 5.884 4.150 -8.435 1.00 0.00 O ATOM 805 CB VAL A 53 6.440 1.796 -6.066 1.00 0.00 C ATOM 806 CG1 VAL A 53 5.924 2.990 -5.278 1.00 0.00 C ATOM 807 CG2 VAL A 53 5.906 0.494 -5.489 1.00 0.00 C ATOM 0 H VAL A 53 7.043 0.087 -7.778 1.00 0.00 H new ATOM 0 HA VAL A 53 4.973 1.940 -7.642 1.00 0.00 H new ATOM 0 HB VAL A 53 7.527 1.782 -5.987 1.00 0.00 H new ATOM 0 HG11 VAL A 53 6.203 2.882 -4.230 1.00 0.00 H new ATOM 0 HG12 VAL A 53 6.361 3.906 -5.677 1.00 0.00 H new ATOM 0 HG13 VAL A 53 4.838 3.039 -5.362 1.00 0.00 H new ATOM 0 HG21 VAL A 53 6.185 0.421 -4.438 1.00 0.00 H new ATOM 0 HG22 VAL A 53 4.820 0.475 -5.579 1.00 0.00 H new ATOM 0 HG23 VAL A 53 6.330 -0.348 -6.036 1.00 0.00 H new ATOM 817 N ILE A 54 7.952 3.295 -8.196 1.00 0.00 N ATOM 818 CA ILE A 54 8.621 4.484 -8.707 1.00 0.00 C ATOM 819 C ILE A 54 8.162 4.808 -10.124 1.00 0.00 C ATOM 820 O ILE A 54 7.753 5.932 -10.414 1.00 0.00 O ATOM 821 CB ILE A 54 10.152 4.315 -8.702 1.00 0.00 C ATOM 822 CG1 ILE A 54 10.635 3.882 -7.316 1.00 0.00 C ATOM 823 CG2 ILE A 54 10.830 5.610 -9.124 1.00 0.00 C ATOM 824 CD1 ILE A 54 10.415 4.927 -6.245 1.00 0.00 C ATOM 0 H ILE A 54 8.582 2.540 -7.925 1.00 0.00 H new ATOM 0 HA ILE A 54 8.352 5.306 -8.044 1.00 0.00 H new ATOM 0 HB ILE A 54 10.419 3.538 -9.418 1.00 0.00 H new ATOM 0 HG12 ILE A 54 10.118 2.966 -7.030 1.00 0.00 H new ATOM 0 HG13 ILE A 54 11.698 3.645 -7.368 1.00 0.00 H new ATOM 0 HG21 ILE A 54 11.911 5.474 -9.115 1.00 0.00 H new ATOM 0 HG22 ILE A 54 10.506 5.879 -10.129 1.00 0.00 H new ATOM 0 HG23 ILE A 54 10.559 6.406 -8.430 1.00 0.00 H new ATOM 0 HD11 ILE A 54 10.781 4.551 -5.289 1.00 0.00 H new ATOM 0 HD12 ILE A 54 10.955 5.837 -6.508 1.00 0.00 H new ATOM 0 HD13 ILE A 54 9.350 5.147 -6.165 1.00 0.00 H new ATOM 836 N ASP A 55 8.229 3.814 -11.003 1.00 0.00 N ATOM 837 CA ASP A 55 7.817 3.992 -12.391 1.00 0.00 C ATOM 838 C ASP A 55 6.345 4.382 -12.475 1.00 0.00 C ATOM 839 O ASP A 55 5.953 5.185 -13.322 1.00 0.00 O ATOM 840 CB ASP A 55 8.063 2.708 -13.186 1.00 0.00 C ATOM 841 CG ASP A 55 7.814 2.891 -14.671 1.00 0.00 C ATOM 842 OD1 ASP A 55 8.751 3.311 -15.382 1.00 0.00 O ATOM 843 OD2 ASP A 55 6.683 2.613 -15.121 1.00 0.00 O ATOM 0 H ASP A 55 8.564 2.877 -10.779 1.00 0.00 H new ATOM 0 HA ASP A 55 8.413 4.797 -12.821 1.00 0.00 H new ATOM 0 HB2 ASP A 55 9.090 2.379 -13.030 1.00 0.00 H new ATOM 0 HB3 ASP A 55 7.414 1.919 -12.806 1.00 0.00 H new ATOM 848 N TRP A 56 5.535 3.810 -11.591 1.00 0.00 N ATOM 849 CA TRP A 56 4.105 4.098 -11.567 1.00 0.00 C ATOM 850 C TRP A 56 3.854 5.595 -11.424 1.00 0.00 C ATOM 851 O TRP A 56 2.902 6.131 -11.992 1.00 0.00 O ATOM 852 CB TRP A 56 3.432 3.343 -10.419 1.00 0.00 C ATOM 853 CG TRP A 56 1.956 3.587 -10.333 1.00 0.00 C ATOM 854 CD1 TRP A 56 0.961 2.750 -10.752 1.00 0.00 C ATOM 855 CD2 TRP A 56 1.309 4.746 -9.796 1.00 0.00 C ATOM 856 NE1 TRP A 56 -0.266 3.319 -10.508 1.00 0.00 N ATOM 857 CE2 TRP A 56 -0.080 4.543 -9.921 1.00 0.00 C ATOM 858 CE3 TRP A 56 1.766 5.934 -9.220 1.00 0.00 C ATOM 859 CZ2 TRP A 56 -1.011 5.485 -9.493 1.00 0.00 C ATOM 860 CZ3 TRP A 56 0.841 6.868 -8.795 1.00 0.00 C ATOM 861 CH2 TRP A 56 -0.535 6.640 -8.932 1.00 0.00 C ATOM 0 H TRP A 56 5.843 3.145 -10.882 1.00 0.00 H new ATOM 0 HA TRP A 56 3.676 3.766 -12.512 1.00 0.00 H new ATOM 0 HB2 TRP A 56 3.610 2.275 -10.542 1.00 0.00 H new ATOM 0 HB3 TRP A 56 3.897 3.637 -9.478 1.00 0.00 H new ATOM 0 HD1 TRP A 56 1.116 1.783 -11.208 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -1.169 2.898 -10.728 1.00 0.00 H new ATOM 0 HE3 TRP A 56 2.824 6.119 -9.109 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -2.072 5.311 -9.600 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 1.184 7.790 -8.349 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -1.233 7.389 -8.589 1.00 0.00 H new ATOM 872 N LEU A 57 4.713 6.265 -10.663 1.00 0.00 N ATOM 873 CA LEU A 57 4.584 7.702 -10.447 1.00 0.00 C ATOM 874 C LEU A 57 4.936 8.477 -11.712 1.00 0.00 C ATOM 875 O LEU A 57 4.162 9.314 -12.176 1.00 0.00 O ATOM 876 CB LEU A 57 5.486 8.146 -9.294 1.00 0.00 C ATOM 877 CG LEU A 57 5.080 7.666 -7.900 1.00 0.00 C ATOM 878 CD1 LEU A 57 6.305 7.507 -7.013 1.00 0.00 C ATOM 879 CD2 LEU A 57 4.085 8.631 -7.272 1.00 0.00 C ATOM 0 H LEU A 57 5.506 5.836 -10.186 1.00 0.00 H new ATOM 0 HA LEU A 57 3.546 7.915 -10.191 1.00 0.00 H new ATOM 0 HB2 LEU A 57 6.498 7.796 -9.496 1.00 0.00 H new ATOM 0 HB3 LEU A 57 5.521 9.235 -9.285 1.00 0.00 H new ATOM 0 HG LEU A 57 4.599 6.693 -7.997 1.00 0.00 H new ATOM 0 HD11 LEU A 57 5.997 7.165 -6.025 1.00 0.00 H new ATOM 0 HD12 LEU A 57 6.982 6.776 -7.455 1.00 0.00 H new ATOM 0 HD13 LEU A 57 6.815 8.466 -6.922 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.807 8.273 -6.280 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.539 9.618 -7.188 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.195 8.694 -7.898 1.00 0.00 H new ATOM 891 N VAL A 58 6.110 8.191 -12.267 1.00 0.00 N ATOM 892 CA VAL A 58 6.564 8.859 -13.481 1.00 0.00 C ATOM 893 C VAL A 58 5.581 8.646 -14.626 1.00 0.00 C ATOM 894 O VAL A 58 5.187 9.594 -15.305 1.00 0.00 O ATOM 895 CB VAL A 58 7.955 8.356 -13.912 1.00 0.00 C ATOM 896 CG1 VAL A 58 8.421 9.082 -15.165 1.00 0.00 C ATOM 897 CG2 VAL A 58 8.958 8.529 -12.781 1.00 0.00 C ATOM 0 H VAL A 58 6.763 7.502 -11.895 1.00 0.00 H new ATOM 0 HA VAL A 58 6.626 9.923 -13.253 1.00 0.00 H new ATOM 0 HB VAL A 58 7.882 7.293 -14.143 1.00 0.00 H new ATOM 0 HG11 VAL A 58 9.405 8.713 -15.454 1.00 0.00 H new ATOM 0 HG12 VAL A 58 7.714 8.901 -15.974 1.00 0.00 H new ATOM 0 HG13 VAL A 58 8.479 10.152 -14.965 1.00 0.00 H new ATOM 0 HG21 VAL A 58 9.935 8.169 -13.103 1.00 0.00 H new ATOM 0 HG22 VAL A 58 9.030 9.584 -12.516 1.00 0.00 H new ATOM 0 HG23 VAL A 58 8.629 7.959 -11.912 1.00 0.00 H new ATOM 907 N SER A 59 5.189 7.393 -14.837 1.00 0.00 N ATOM 908 CA SER A 59 4.254 7.054 -15.903 1.00 0.00 C ATOM 909 C SER A 59 2.968 7.865 -15.776 1.00 0.00 C ATOM 910 O SER A 59 2.377 8.272 -16.775 1.00 0.00 O ATOM 911 CB SER A 59 3.931 5.559 -15.871 1.00 0.00 C ATOM 912 OG SER A 59 3.397 5.125 -17.110 1.00 0.00 O ATOM 0 H SER A 59 5.505 6.596 -14.284 1.00 0.00 H new ATOM 0 HA SER A 59 4.725 7.297 -16.856 1.00 0.00 H new ATOM 0 HB2 SER A 59 4.835 4.994 -15.643 1.00 0.00 H new ATOM 0 HB3 SER A 59 3.217 5.355 -15.073 1.00 0.00 H new ATOM 0 HG SER A 59 3.201 4.166 -17.064 1.00 0.00 H new ATOM 918 N ASN A 60 2.541 8.097 -14.539 1.00 0.00 N ATOM 919 CA ASN A 60 1.325 8.859 -14.280 1.00 0.00 C ATOM 920 C ASN A 60 1.592 10.358 -14.374 1.00 0.00 C ATOM 921 O ASN A 60 0.749 11.173 -13.999 1.00 0.00 O ATOM 922 CB ASN A 60 0.767 8.515 -12.898 1.00 0.00 C ATOM 923 CG ASN A 60 -0.072 7.251 -12.911 1.00 0.00 C ATOM 924 OD1 ASN A 60 0.534 6.143 -13.321 1.00 0.00 O flip ATOM 925 ND2 ASN A 60 -1.251 7.272 -12.557 1.00 0.00 N flip ATOM 0 H ASN A 60 3.019 7.768 -13.700 1.00 0.00 H new ATOM 0 HA ASN A 60 0.590 8.590 -15.038 1.00 0.00 H new ATOM 0 HB2 ASN A 60 1.592 8.393 -12.196 1.00 0.00 H new ATOM 0 HB3 ASN A 60 0.161 9.346 -12.537 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -1.676 8.147 -12.249 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -1.803 6.415 -12.571 1.00 0.00 H new ATOM 932 N GLN A 61 2.770 10.713 -14.876 1.00 0.00 N ATOM 933 CA GLN A 61 3.148 12.114 -15.019 1.00 0.00 C ATOM 934 C GLN A 61 3.095 12.832 -13.675 1.00 0.00 C ATOM 935 O GLN A 61 2.838 14.034 -13.611 1.00 0.00 O ATOM 936 CB GLN A 61 2.228 12.813 -16.021 1.00 0.00 C ATOM 937 CG GLN A 61 2.109 12.085 -17.349 1.00 0.00 C ATOM 938 CD GLN A 61 0.849 12.455 -18.107 1.00 0.00 C ATOM 939 OE1 GLN A 61 0.441 13.616 -18.127 1.00 0.00 O ATOM 940 NE2 GLN A 61 0.225 11.466 -18.737 1.00 0.00 N ATOM 0 H GLN A 61 3.479 10.050 -15.190 1.00 0.00 H new ATOM 0 HA GLN A 61 4.172 12.152 -15.390 1.00 0.00 H new ATOM 0 HB2 GLN A 61 1.236 12.914 -15.581 1.00 0.00 H new ATOM 0 HB3 GLN A 61 2.601 13.821 -16.201 1.00 0.00 H new ATOM 0 HG2 GLN A 61 2.979 12.315 -17.964 1.00 0.00 H new ATOM 0 HG3 GLN A 61 2.119 11.010 -17.172 1.00 0.00 H new ATOM 0 HE21 GLN A 61 0.599 10.518 -18.694 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -0.628 11.655 -19.264 1.00 0.00 H new ATOM 949 N SER A 62 3.340 12.087 -12.601 1.00 0.00 N ATOM 950 CA SER A 62 3.315 12.652 -11.257 1.00 0.00 C ATOM 951 C SER A 62 4.667 13.263 -10.900 1.00 0.00 C ATOM 952 O SER A 62 4.737 14.326 -10.284 1.00 0.00 O ATOM 953 CB SER A 62 2.944 11.575 -10.235 1.00 0.00 C ATOM 954 OG SER A 62 1.611 11.134 -10.422 1.00 0.00 O ATOM 0 H SER A 62 3.558 11.091 -12.636 1.00 0.00 H new ATOM 0 HA SER A 62 2.562 13.440 -11.234 1.00 0.00 H new ATOM 0 HB2 SER A 62 3.626 10.730 -10.328 1.00 0.00 H new ATOM 0 HB3 SER A 62 3.062 11.970 -9.226 1.00 0.00 H new ATOM 0 HG SER A 62 1.398 10.445 -9.758 1.00 0.00 H new ATOM 960 N VAL A 63 5.739 12.583 -11.293 1.00 0.00 N ATOM 961 CA VAL A 63 7.090 13.058 -11.016 1.00 0.00 C ATOM 962 C VAL A 63 7.851 13.333 -12.308 1.00 0.00 C ATOM 963 O VAL A 63 7.370 13.030 -13.400 1.00 0.00 O ATOM 964 CB VAL A 63 7.881 12.040 -10.174 1.00 0.00 C ATOM 965 CG1 VAL A 63 7.406 12.057 -8.729 1.00 0.00 C ATOM 966 CG2 VAL A 63 7.756 10.645 -10.768 1.00 0.00 C ATOM 0 H VAL A 63 5.699 11.701 -11.804 1.00 0.00 H new ATOM 0 HA VAL A 63 6.990 13.985 -10.452 1.00 0.00 H new ATOM 0 HB VAL A 63 8.933 12.324 -10.189 1.00 0.00 H new ATOM 0 HG11 VAL A 63 7.977 11.331 -8.150 1.00 0.00 H new ATOM 0 HG12 VAL A 63 7.553 13.052 -8.309 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.347 11.800 -8.691 1.00 0.00 H new ATOM 0 HG21 VAL A 63 8.321 9.939 -10.160 1.00 0.00 H new ATOM 0 HG22 VAL A 63 6.707 10.350 -10.786 1.00 0.00 H new ATOM 0 HG23 VAL A 63 8.150 10.646 -11.784 1.00 0.00 H new ATOM 976 N ARG A 64 9.042 13.908 -12.175 1.00 0.00 N ATOM 977 CA ARG A 64 9.870 14.225 -13.333 1.00 0.00 C ATOM 978 C ARG A 64 10.671 13.006 -13.779 1.00 0.00 C ATOM 979 O ARG A 64 10.857 12.776 -14.973 1.00 0.00 O ATOM 980 CB ARG A 64 10.818 15.380 -13.006 1.00 0.00 C ATOM 981 CG ARG A 64 10.105 16.656 -12.591 1.00 0.00 C ATOM 982 CD ARG A 64 10.960 17.885 -12.857 1.00 0.00 C ATOM 983 NE ARG A 64 10.996 18.231 -14.275 1.00 0.00 N ATOM 984 CZ ARG A 64 11.319 19.437 -14.730 1.00 0.00 C ATOM 985 NH1 ARG A 64 11.633 20.406 -13.882 1.00 0.00 N ATOM 986 NH2 ARG A 64 11.329 19.674 -16.035 1.00 0.00 N ATOM 0 H ARG A 64 9.455 14.164 -11.278 1.00 0.00 H new ATOM 0 HA ARG A 64 9.212 14.523 -14.149 1.00 0.00 H new ATOM 0 HB2 ARG A 64 11.489 15.072 -12.204 1.00 0.00 H new ATOM 0 HB3 ARG A 64 11.438 15.588 -13.878 1.00 0.00 H new ATOM 0 HG2 ARG A 64 9.164 16.742 -13.135 1.00 0.00 H new ATOM 0 HG3 ARG A 64 9.857 16.607 -11.531 1.00 0.00 H new ATOM 0 HD2 ARG A 64 10.569 18.728 -12.288 1.00 0.00 H new ATOM 0 HD3 ARG A 64 11.975 17.704 -12.502 1.00 0.00 H new ATOM 0 HE ARG A 64 10.760 17.507 -14.954 1.00 0.00 H new ATOM 0 HH11 ARG A 64 11.627 20.227 -12.878 1.00 0.00 H new ATOM 0 HH12 ARG A 64 11.881 21.331 -14.234 1.00 0.00 H new ATOM 0 HH21 ARG A 64 11.089 18.930 -16.690 1.00 0.00 H new ATOM 0 HH22 ARG A 64 11.577 20.600 -16.383 1.00 0.00 H new ATOM 1000 N ASN A 65 11.142 12.227 -12.810 1.00 0.00 N ATOM 1001 CA ASN A 65 11.924 11.031 -13.103 1.00 0.00 C ATOM 1002 C ASN A 65 11.858 10.041 -11.944 1.00 0.00 C ATOM 1003 O ASN A 65 11.147 10.263 -10.964 1.00 0.00 O ATOM 1004 CB ASN A 65 13.380 11.406 -13.386 1.00 0.00 C ATOM 1005 CG ASN A 65 13.845 12.589 -12.559 1.00 0.00 C ATOM 1006 OD1 ASN A 65 14.216 12.330 -11.311 1.00 0.00 O flip ATOM 1007 ND2 ASN A 65 13.869 13.723 -13.037 1.00 0.00 N flip ATOM 0 H ASN A 65 10.996 12.402 -11.816 1.00 0.00 H new ATOM 0 HA ASN A 65 11.499 10.556 -13.988 1.00 0.00 H new ATOM 0 HB2 ASN A 65 14.020 10.548 -13.179 1.00 0.00 H new ATOM 0 HB3 ASN A 65 13.493 11.640 -14.445 1.00 0.00 H new ATOM 0 HD21 ASN A 65 13.575 13.876 -14.002 1.00 0.00 H new ATOM 0 HD22 ASN A 65 14.183 14.510 -12.469 1.00 0.00 H new ATOM 1014 N ARG A 66 12.605 8.948 -12.064 1.00 0.00 N ATOM 1015 CA ARG A 66 12.631 7.924 -11.027 1.00 0.00 C ATOM 1016 C ARG A 66 12.992 8.529 -9.673 1.00 0.00 C ATOM 1017 O ARG A 66 12.212 8.458 -8.724 1.00 0.00 O ATOM 1018 CB ARG A 66 13.633 6.826 -11.390 1.00 0.00 C ATOM 1019 CG ARG A 66 13.050 5.740 -12.280 1.00 0.00 C ATOM 1020 CD ARG A 66 12.863 6.231 -13.707 1.00 0.00 C ATOM 1021 NE ARG A 66 11.946 5.380 -14.463 1.00 0.00 N ATOM 1022 CZ ARG A 66 11.854 5.394 -15.788 1.00 0.00 C ATOM 1023 NH1 ARG A 66 12.619 6.210 -16.500 1.00 0.00 N ATOM 1024 NH2 ARG A 66 10.996 4.591 -16.403 1.00 0.00 N ATOM 0 H ARG A 66 13.200 8.749 -12.869 1.00 0.00 H new ATOM 0 HA ARG A 66 11.634 7.489 -10.957 1.00 0.00 H new ATOM 0 HB2 ARG A 66 14.487 7.278 -11.894 1.00 0.00 H new ATOM 0 HB3 ARG A 66 14.008 6.371 -10.473 1.00 0.00 H new ATOM 0 HG2 ARG A 66 13.709 4.872 -12.276 1.00 0.00 H new ATOM 0 HG3 ARG A 66 12.091 5.414 -11.877 1.00 0.00 H new ATOM 0 HD2 ARG A 66 12.481 7.252 -13.692 1.00 0.00 H new ATOM 0 HD3 ARG A 66 13.829 6.259 -14.210 1.00 0.00 H new ATOM 0 HE ARG A 66 11.344 4.740 -13.945 1.00 0.00 H new ATOM 0 HH11 ARG A 66 13.280 6.829 -16.030 1.00 0.00 H new ATOM 0 HH12 ARG A 66 12.547 6.219 -17.517 1.00 0.00 H new ATOM 0 HH21 ARG A 66 10.406 3.962 -15.858 1.00 0.00 H new ATOM 0 HH22 ARG A 66 10.926 4.603 -17.421 1.00 0.00 H new ATOM 1038 N GLN A 67 14.179 9.122 -9.594 1.00 0.00 N ATOM 1039 CA GLN A 67 14.643 9.738 -8.356 1.00 0.00 C ATOM 1040 C GLN A 67 13.534 10.561 -7.709 1.00 0.00 C ATOM 1041 O GLN A 67 13.287 10.451 -6.508 1.00 0.00 O ATOM 1042 CB GLN A 67 15.860 10.623 -8.628 1.00 0.00 C ATOM 1043 CG GLN A 67 17.185 9.888 -8.513 1.00 0.00 C ATOM 1044 CD GLN A 67 17.749 9.918 -7.106 1.00 0.00 C ATOM 1045 OE1 GLN A 67 18.061 10.983 -6.572 1.00 0.00 O ATOM 1046 NE2 GLN A 67 17.883 8.745 -6.496 1.00 0.00 N ATOM 0 H GLN A 67 14.836 9.189 -10.371 1.00 0.00 H new ATOM 0 HA GLN A 67 14.928 8.942 -7.668 1.00 0.00 H new ATOM 0 HB2 GLN A 67 15.775 11.046 -9.629 1.00 0.00 H new ATOM 0 HB3 GLN A 67 15.855 11.458 -7.927 1.00 0.00 H new ATOM 0 HG2 GLN A 67 17.050 8.852 -8.824 1.00 0.00 H new ATOM 0 HG3 GLN A 67 17.905 10.335 -9.198 1.00 0.00 H new ATOM 0 HE21 GLN A 67 17.612 7.887 -6.976 1.00 0.00 H new ATOM 0 HE22 GLN A 67 18.257 8.703 -5.548 1.00 0.00 H new ATOM 1055 N GLU A 68 12.870 11.386 -8.512 1.00 0.00 N ATOM 1056 CA GLU A 68 11.789 12.229 -8.016 1.00 0.00 C ATOM 1057 C GLU A 68 10.748 11.397 -7.273 1.00 0.00 C ATOM 1058 O GLU A 68 10.223 11.815 -6.242 1.00 0.00 O ATOM 1059 CB GLU A 68 11.126 12.980 -9.172 1.00 0.00 C ATOM 1060 CG GLU A 68 11.949 14.147 -9.691 1.00 0.00 C ATOM 1061 CD GLU A 68 12.700 14.867 -8.589 1.00 0.00 C ATOM 1062 OE1 GLU A 68 13.834 14.449 -8.271 1.00 0.00 O ATOM 1063 OE2 GLU A 68 12.155 15.849 -8.043 1.00 0.00 O ATOM 0 H GLU A 68 13.062 11.489 -9.509 1.00 0.00 H new ATOM 0 HA GLU A 68 12.216 12.951 -7.321 1.00 0.00 H new ATOM 0 HB2 GLU A 68 10.943 12.283 -9.990 1.00 0.00 H new ATOM 0 HB3 GLU A 68 10.154 13.349 -8.845 1.00 0.00 H new ATOM 0 HG2 GLU A 68 12.660 13.784 -10.433 1.00 0.00 H new ATOM 0 HG3 GLU A 68 11.292 14.853 -10.199 1.00 0.00 H new ATOM 1070 N GLY A 69 10.453 10.214 -7.805 1.00 0.00 N ATOM 1071 CA GLY A 69 9.476 9.342 -7.181 1.00 0.00 C ATOM 1072 C GLY A 69 9.996 8.709 -5.905 1.00 0.00 C ATOM 1073 O GLY A 69 9.223 8.172 -5.110 1.00 0.00 O ATOM 0 H GLY A 69 10.874 9.845 -8.657 1.00 0.00 H new ATOM 0 HA2 GLY A 69 8.574 9.912 -6.959 1.00 0.00 H new ATOM 0 HA3 GLY A 69 9.193 8.558 -7.883 1.00 0.00 H new ATOM 1077 N LEU A 70 11.308 8.770 -5.708 1.00 0.00 N ATOM 1078 CA LEU A 70 11.931 8.197 -4.520 1.00 0.00 C ATOM 1079 C LEU A 70 11.368 8.829 -3.251 1.00 0.00 C ATOM 1080 O LEU A 70 11.065 8.134 -2.281 1.00 0.00 O ATOM 1081 CB LEU A 70 13.447 8.392 -4.570 1.00 0.00 C ATOM 1082 CG LEU A 70 14.288 7.285 -3.933 1.00 0.00 C ATOM 1083 CD1 LEU A 70 13.650 6.809 -2.638 1.00 0.00 C ATOM 1084 CD2 LEU A 70 14.464 6.125 -4.901 1.00 0.00 C ATOM 0 H LEU A 70 11.961 9.211 -6.356 1.00 0.00 H new ATOM 0 HA LEU A 70 11.708 7.130 -4.503 1.00 0.00 H new ATOM 0 HB2 LEU A 70 13.746 8.493 -5.613 1.00 0.00 H new ATOM 0 HB3 LEU A 70 13.688 9.334 -4.077 1.00 0.00 H new ATOM 0 HG LEU A 70 15.273 7.691 -3.701 1.00 0.00 H new ATOM 0 HD11 LEU A 70 14.262 6.021 -2.199 1.00 0.00 H new ATOM 0 HD12 LEU A 70 13.577 7.643 -1.940 1.00 0.00 H new ATOM 0 HD13 LEU A 70 12.653 6.421 -2.845 1.00 0.00 H new ATOM 0 HD21 LEU A 70 15.065 5.347 -4.431 1.00 0.00 H new ATOM 0 HD22 LEU A 70 13.487 5.720 -5.165 1.00 0.00 H new ATOM 0 HD23 LEU A 70 14.966 6.476 -5.802 1.00 0.00 H new ATOM 1096 N MET A 71 11.228 10.151 -3.266 1.00 0.00 N ATOM 1097 CA MET A 71 10.697 10.876 -2.117 1.00 0.00 C ATOM 1098 C MET A 71 9.238 10.509 -1.870 1.00 0.00 C ATOM 1099 O MET A 71 8.879 10.047 -0.786 1.00 0.00 O ATOM 1100 CB MET A 71 10.827 12.385 -2.336 1.00 0.00 C ATOM 1101 CG MET A 71 12.243 12.833 -2.656 1.00 0.00 C ATOM 1102 SD MET A 71 12.555 14.543 -2.176 1.00 0.00 S ATOM 1103 CE MET A 71 11.409 15.410 -3.245 1.00 0.00 C ATOM 0 H MET A 71 11.475 10.741 -4.060 1.00 0.00 H new ATOM 0 HA MET A 71 11.277 10.592 -1.239 1.00 0.00 H new ATOM 0 HB2 MET A 71 10.167 12.684 -3.151 1.00 0.00 H new ATOM 0 HB3 MET A 71 10.484 12.905 -1.441 1.00 0.00 H new ATOM 0 HG2 MET A 71 12.951 12.181 -2.144 1.00 0.00 H new ATOM 0 HG3 MET A 71 12.423 12.721 -3.725 1.00 0.00 H new ATOM 0 HE1 MET A 71 11.534 16.485 -3.117 1.00 0.00 H new ATOM 0 HE2 MET A 71 11.607 15.143 -4.283 1.00 0.00 H new ATOM 0 HE3 MET A 71 10.388 15.130 -2.987 1.00 0.00 H new ATOM 1113 N ILE A 72 8.400 10.718 -2.881 1.00 0.00 N ATOM 1114 CA ILE A 72 6.980 10.409 -2.772 1.00 0.00 C ATOM 1115 C ILE A 72 6.764 8.960 -2.348 1.00 0.00 C ATOM 1116 O ILE A 72 5.933 8.671 -1.487 1.00 0.00 O ATOM 1117 CB ILE A 72 6.246 10.658 -4.103 1.00 0.00 C ATOM 1118 CG1 ILE A 72 6.384 12.123 -4.520 1.00 0.00 C ATOM 1119 CG2 ILE A 72 4.780 10.272 -3.979 1.00 0.00 C ATOM 1120 CD1 ILE A 72 5.670 13.084 -3.595 1.00 0.00 C ATOM 0 H ILE A 72 8.681 11.100 -3.784 1.00 0.00 H new ATOM 0 HA ILE A 72 6.570 11.073 -2.011 1.00 0.00 H new ATOM 0 HB ILE A 72 6.701 10.036 -4.874 1.00 0.00 H new ATOM 0 HG12 ILE A 72 7.442 12.384 -4.556 1.00 0.00 H new ATOM 0 HG13 ILE A 72 5.991 12.244 -5.530 1.00 0.00 H new ATOM 0 HG21 ILE A 72 4.274 10.454 -4.927 1.00 0.00 H new ATOM 0 HG22 ILE A 72 4.702 9.215 -3.723 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.311 10.870 -3.198 1.00 0.00 H new ATOM 0 HD11 ILE A 72 5.811 14.104 -3.952 1.00 0.00 H new ATOM 0 HD12 ILE A 72 4.606 12.849 -3.577 1.00 0.00 H new ATOM 0 HD13 ILE A 72 6.079 12.992 -2.589 1.00 0.00 H new ATOM 1132 N ALA A 73 7.520 8.052 -2.958 1.00 0.00 N ATOM 1133 CA ALA A 73 7.414 6.633 -2.641 1.00 0.00 C ATOM 1134 C ALA A 73 7.908 6.348 -1.227 1.00 0.00 C ATOM 1135 O ALA A 73 7.247 5.651 -0.457 1.00 0.00 O ATOM 1136 CB ALA A 73 8.196 5.807 -3.652 1.00 0.00 C ATOM 0 H ALA A 73 8.212 8.274 -3.674 1.00 0.00 H new ATOM 0 HA ALA A 73 6.362 6.352 -2.694 1.00 0.00 H new ATOM 0 HB1 ALA A 73 8.108 4.749 -3.403 1.00 0.00 H new ATOM 0 HB2 ALA A 73 7.795 5.979 -4.651 1.00 0.00 H new ATOM 0 HB3 ALA A 73 9.246 6.100 -3.627 1.00 0.00 H new ATOM 1142 N SER A 74 9.074 6.890 -0.892 1.00 0.00 N ATOM 1143 CA SER A 74 9.659 6.690 0.429 1.00 0.00 C ATOM 1144 C SER A 74 8.707 7.166 1.522 1.00 0.00 C ATOM 1145 O SER A 74 8.538 6.502 2.545 1.00 0.00 O ATOM 1146 CB SER A 74 10.992 7.433 0.538 1.00 0.00 C ATOM 1147 OG SER A 74 10.843 8.800 0.196 1.00 0.00 O ATOM 0 H SER A 74 9.633 7.471 -1.517 1.00 0.00 H new ATOM 0 HA SER A 74 9.835 5.623 0.564 1.00 0.00 H new ATOM 0 HB2 SER A 74 11.377 7.349 1.554 1.00 0.00 H new ATOM 0 HB3 SER A 74 11.726 6.968 -0.120 1.00 0.00 H new ATOM 0 HG SER A 74 9.939 8.954 -0.151 1.00 0.00 H new ATOM 1153 N SER A 75 8.088 8.321 1.298 1.00 0.00 N ATOM 1154 CA SER A 75 7.156 8.889 2.265 1.00 0.00 C ATOM 1155 C SER A 75 5.983 7.944 2.508 1.00 0.00 C ATOM 1156 O SER A 75 5.612 7.679 3.652 1.00 0.00 O ATOM 1157 CB SER A 75 6.642 10.243 1.774 1.00 0.00 C ATOM 1158 OG SER A 75 6.446 10.236 0.370 1.00 0.00 O ATOM 0 H SER A 75 8.215 8.882 0.455 1.00 0.00 H new ATOM 0 HA SER A 75 7.687 9.030 3.206 1.00 0.00 H new ATOM 0 HB2 SER A 75 5.704 10.482 2.274 1.00 0.00 H new ATOM 0 HB3 SER A 75 7.354 11.024 2.041 1.00 0.00 H new ATOM 0 HG SER A 75 6.225 9.328 0.075 1.00 0.00 H new ATOM 1164 N LEU A 76 5.403 7.440 1.424 1.00 0.00 N ATOM 1165 CA LEU A 76 4.272 6.524 1.518 1.00 0.00 C ATOM 1166 C LEU A 76 4.536 5.436 2.553 1.00 0.00 C ATOM 1167 O LEU A 76 3.630 5.018 3.276 1.00 0.00 O ATOM 1168 CB LEU A 76 3.989 5.890 0.155 1.00 0.00 C ATOM 1169 CG LEU A 76 3.275 6.778 -0.864 1.00 0.00 C ATOM 1170 CD1 LEU A 76 3.388 6.187 -2.260 1.00 0.00 C ATOM 1171 CD2 LEU A 76 1.814 6.964 -0.478 1.00 0.00 C ATOM 0 H LEU A 76 5.697 7.650 0.470 1.00 0.00 H new ATOM 0 HA LEU A 76 3.399 7.095 1.834 1.00 0.00 H new ATOM 0 HB2 LEU A 76 4.936 5.566 -0.276 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.387 4.995 0.311 1.00 0.00 H new ATOM 0 HG LEU A 76 3.757 7.755 -0.866 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.874 6.833 -2.971 1.00 0.00 H new ATOM 0 HD12 LEU A 76 4.439 6.107 -2.537 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.932 5.197 -2.274 1.00 0.00 H new ATOM 0 HD21 LEU A 76 1.321 7.599 -1.214 1.00 0.00 H new ATOM 0 HD22 LEU A 76 1.319 5.993 -0.447 1.00 0.00 H new ATOM 0 HD23 LEU A 76 1.754 7.433 0.504 1.00 0.00 H new ATOM 1183 N LEU A 77 5.783 4.982 2.622 1.00 0.00 N ATOM 1184 CA LEU A 77 6.168 3.943 3.571 1.00 0.00 C ATOM 1185 C LEU A 77 6.342 4.523 4.971 1.00 0.00 C ATOM 1186 O LEU A 77 6.102 3.844 5.969 1.00 0.00 O ATOM 1187 CB LEU A 77 7.465 3.269 3.121 1.00 0.00 C ATOM 1188 CG LEU A 77 7.308 2.057 2.202 1.00 0.00 C ATOM 1189 CD1 LEU A 77 8.656 1.633 1.642 1.00 0.00 C ATOM 1190 CD2 LEU A 77 6.652 0.904 2.948 1.00 0.00 C ATOM 0 H LEU A 77 6.545 5.317 2.032 1.00 0.00 H new ATOM 0 HA LEU A 77 5.371 3.200 3.602 1.00 0.00 H new ATOM 0 HB2 LEU A 77 8.078 4.011 2.609 1.00 0.00 H new ATOM 0 HB3 LEU A 77 8.016 2.958 4.008 1.00 0.00 H new ATOM 0 HG LEU A 77 6.664 2.338 1.369 1.00 0.00 H new ATOM 0 HD11 LEU A 77 8.524 0.769 0.990 1.00 0.00 H new ATOM 0 HD12 LEU A 77 9.088 2.455 1.071 1.00 0.00 H new ATOM 0 HD13 LEU A 77 9.324 1.370 2.462 1.00 0.00 H new ATOM 0 HD21 LEU A 77 6.548 0.050 2.279 1.00 0.00 H new ATOM 0 HD22 LEU A 77 7.270 0.624 3.801 1.00 0.00 H new ATOM 0 HD23 LEU A 77 5.667 1.211 3.299 1.00 0.00 H new ATOM 1202 N ASN A 78 6.760 5.783 5.037 1.00 0.00 N ATOM 1203 CA ASN A 78 6.964 6.454 6.315 1.00 0.00 C ATOM 1204 C ASN A 78 5.630 6.759 6.989 1.00 0.00 C ATOM 1205 O ASN A 78 5.496 6.635 8.206 1.00 0.00 O ATOM 1206 CB ASN A 78 7.754 7.749 6.114 1.00 0.00 C ATOM 1207 CG ASN A 78 9.253 7.528 6.183 1.00 0.00 C ATOM 1208 OD1 ASN A 78 9.718 6.492 6.658 1.00 0.00 O ATOM 1209 ND2 ASN A 78 10.017 8.505 5.707 1.00 0.00 N ATOM 0 H ASN A 78 6.964 6.359 4.221 1.00 0.00 H new ATOM 0 HA ASN A 78 7.533 5.785 6.961 1.00 0.00 H new ATOM 0 HB2 ASN A 78 7.497 8.182 5.147 1.00 0.00 H new ATOM 0 HB3 ASN A 78 7.461 8.472 6.875 1.00 0.00 H new ATOM 0 HD21 ASN A 78 11.033 8.414 5.726 1.00 0.00 H new ATOM 0 HD22 ASN A 78 9.588 9.347 5.322 1.00 0.00 H new ATOM 1216 N GLU A 79 4.646 7.157 6.189 1.00 0.00 N ATOM 1217 CA GLU A 79 3.323 7.480 6.709 1.00 0.00 C ATOM 1218 C GLU A 79 2.535 6.210 7.019 1.00 0.00 C ATOM 1219 O GLU A 79 1.838 6.130 8.029 1.00 0.00 O ATOM 1220 CB GLU A 79 2.551 8.339 5.705 1.00 0.00 C ATOM 1221 CG GLU A 79 3.073 9.761 5.593 1.00 0.00 C ATOM 1222 CD GLU A 79 2.636 10.636 6.751 1.00 0.00 C ATOM 1223 OE1 GLU A 79 1.416 10.867 6.891 1.00 0.00 O ATOM 1224 OE2 GLU A 79 3.511 11.091 7.516 1.00 0.00 O ATOM 0 H GLU A 79 4.740 7.263 5.179 1.00 0.00 H new ATOM 0 HA GLU A 79 3.452 8.042 7.634 1.00 0.00 H new ATOM 0 HB2 GLU A 79 2.597 7.866 4.724 1.00 0.00 H new ATOM 0 HB3 GLU A 79 1.501 8.368 5.996 1.00 0.00 H new ATOM 0 HG2 GLU A 79 4.162 9.742 5.548 1.00 0.00 H new ATOM 0 HG3 GLU A 79 2.723 10.200 4.659 1.00 0.00 H new ATOM 1231 N GLY A 80 2.653 5.218 6.141 1.00 0.00 N ATOM 1232 CA GLY A 80 1.947 3.966 6.337 1.00 0.00 C ATOM 1233 C GLY A 80 1.286 3.468 5.067 1.00 0.00 C ATOM 1234 O GLY A 80 1.024 2.273 4.923 1.00 0.00 O ATOM 0 H GLY A 80 3.225 5.260 5.298 1.00 0.00 H new ATOM 0 HA2 GLY A 80 2.645 3.212 6.699 1.00 0.00 H new ATOM 0 HA3 GLY A 80 1.190 4.097 7.110 1.00 0.00 H new ATOM 1238 N TYR A 81 1.012 4.385 4.146 1.00 0.00 N ATOM 1239 CA TYR A 81 0.373 4.033 2.884 1.00 0.00 C ATOM 1240 C TYR A 81 0.965 2.748 2.313 1.00 0.00 C ATOM 1241 O TYR A 81 0.250 1.918 1.749 1.00 0.00 O ATOM 1242 CB TYR A 81 0.529 5.172 1.874 1.00 0.00 C ATOM 1243 CG TYR A 81 -0.206 6.434 2.267 1.00 0.00 C ATOM 1244 CD1 TYR A 81 -1.593 6.458 2.344 1.00 0.00 C ATOM 1245 CD2 TYR A 81 0.487 7.602 2.560 1.00 0.00 C ATOM 1246 CE1 TYR A 81 -2.268 7.609 2.701 1.00 0.00 C ATOM 1247 CE2 TYR A 81 -0.180 8.757 2.920 1.00 0.00 C ATOM 1248 CZ TYR A 81 -1.557 8.755 2.989 1.00 0.00 C ATOM 1249 OH TYR A 81 -2.226 9.904 3.346 1.00 0.00 O ATOM 0 H TYR A 81 1.222 5.378 4.250 1.00 0.00 H new ATOM 0 HA TYR A 81 -0.687 3.869 3.076 1.00 0.00 H new ATOM 0 HB2 TYR A 81 1.588 5.400 1.757 1.00 0.00 H new ATOM 0 HB3 TYR A 81 0.166 4.837 0.902 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -2.153 5.562 2.121 1.00 0.00 H new ATOM 0 HD2 TYR A 81 1.566 7.607 2.505 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -3.347 7.611 2.754 1.00 0.00 H new ATOM 0 HE2 TYR A 81 0.374 9.656 3.146 1.00 0.00 H new ATOM 0 HH TYR A 81 -1.579 10.620 3.517 1.00 0.00 H new ATOM 1259 N LEU A 82 2.275 2.590 2.463 1.00 0.00 N ATOM 1260 CA LEU A 82 2.965 1.406 1.964 1.00 0.00 C ATOM 1261 C LEU A 82 3.601 0.623 3.108 1.00 0.00 C ATOM 1262 O LEU A 82 4.081 1.207 4.080 1.00 0.00 O ATOM 1263 CB LEU A 82 4.036 1.806 0.948 1.00 0.00 C ATOM 1264 CG LEU A 82 3.525 2.303 -0.405 1.00 0.00 C ATOM 1265 CD1 LEU A 82 4.686 2.731 -1.290 1.00 0.00 C ATOM 1266 CD2 LEU A 82 2.698 1.225 -1.092 1.00 0.00 C ATOM 0 H LEU A 82 2.881 3.267 2.926 1.00 0.00 H new ATOM 0 HA LEU A 82 2.230 0.767 1.475 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.654 2.588 1.390 1.00 0.00 H new ATOM 0 HB3 LEU A 82 4.684 0.947 0.776 1.00 0.00 H new ATOM 0 HG LEU A 82 2.886 3.170 -0.234 1.00 0.00 H new ATOM 0 HD11 LEU A 82 4.303 3.082 -2.248 1.00 0.00 H new ATOM 0 HD12 LEU A 82 5.237 3.536 -0.803 1.00 0.00 H new ATOM 0 HD13 LEU A 82 5.351 1.883 -1.453 1.00 0.00 H new ATOM 0 HD21 LEU A 82 2.343 1.596 -2.053 1.00 0.00 H new ATOM 0 HD22 LEU A 82 3.314 0.340 -1.250 1.00 0.00 H new ATOM 0 HD23 LEU A 82 1.845 0.966 -0.465 1.00 0.00 H new ATOM 1278 N GLN A 83 3.603 -0.700 2.985 1.00 0.00 N ATOM 1279 CA GLN A 83 4.181 -1.562 4.009 1.00 0.00 C ATOM 1280 C GLN A 83 5.237 -2.485 3.410 1.00 0.00 C ATOM 1281 O GLN A 83 5.035 -3.104 2.365 1.00 0.00 O ATOM 1282 CB GLN A 83 3.088 -2.390 4.686 1.00 0.00 C ATOM 1283 CG GLN A 83 1.996 -1.548 5.326 1.00 0.00 C ATOM 1284 CD GLN A 83 2.420 -0.953 6.654 1.00 0.00 C ATOM 1285 OE1 GLN A 83 2.814 -1.673 7.573 1.00 0.00 O ATOM 1286 NE2 GLN A 83 2.343 0.368 6.763 1.00 0.00 N ATOM 0 H GLN A 83 3.211 -1.199 2.186 1.00 0.00 H new ATOM 0 HA GLN A 83 4.660 -0.927 4.755 1.00 0.00 H new ATOM 0 HB2 GLN A 83 2.638 -3.055 3.949 1.00 0.00 H new ATOM 0 HB3 GLN A 83 3.542 -3.022 5.449 1.00 0.00 H new ATOM 0 HG2 GLN A 83 1.716 -0.744 4.645 1.00 0.00 H new ATOM 0 HG3 GLN A 83 1.109 -2.163 5.475 1.00 0.00 H new ATOM 0 HE21 GLN A 83 2.011 0.926 5.976 1.00 0.00 H new ATOM 0 HE22 GLN A 83 2.616 0.825 7.633 1.00 0.00 H new ATOM 1295 N PRO A 84 6.392 -2.582 4.085 1.00 0.00 N ATOM 1296 CA PRO A 84 7.503 -3.428 3.638 1.00 0.00 C ATOM 1297 C PRO A 84 7.188 -4.914 3.770 1.00 0.00 C ATOM 1298 O PRO A 84 6.527 -5.337 4.717 1.00 0.00 O ATOM 1299 CB PRO A 84 8.646 -3.038 4.578 1.00 0.00 C ATOM 1300 CG PRO A 84 7.971 -2.530 5.805 1.00 0.00 C ATOM 1301 CD PRO A 84 6.702 -1.873 5.338 1.00 0.00 C ATOM 0 HA PRO A 84 7.731 -3.278 2.583 1.00 0.00 H new ATOM 0 HB2 PRO A 84 9.283 -3.893 4.802 1.00 0.00 H new ATOM 0 HB3 PRO A 84 9.283 -2.274 4.131 1.00 0.00 H new ATOM 0 HG2 PRO A 84 7.757 -3.344 6.498 1.00 0.00 H new ATOM 0 HG3 PRO A 84 8.606 -1.820 6.334 1.00 0.00 H new ATOM 0 HD2 PRO A 84 5.901 -1.981 6.069 1.00 0.00 H new ATOM 0 HD3 PRO A 84 6.840 -0.805 5.172 1.00 0.00 H new ATOM 1309 N ALA A 85 7.668 -5.702 2.813 1.00 0.00 N ATOM 1310 CA ALA A 85 7.440 -7.142 2.823 1.00 0.00 C ATOM 1311 C ALA A 85 8.733 -7.904 2.558 1.00 0.00 C ATOM 1312 O ALA A 85 9.078 -8.182 1.410 1.00 0.00 O ATOM 1313 CB ALA A 85 6.384 -7.517 1.794 1.00 0.00 C ATOM 0 H ALA A 85 8.217 -5.367 2.021 1.00 0.00 H new ATOM 0 HA ALA A 85 7.081 -7.421 3.814 1.00 0.00 H new ATOM 0 HB1 ALA A 85 6.224 -8.595 1.813 1.00 0.00 H new ATOM 0 HB2 ALA A 85 5.450 -7.008 2.029 1.00 0.00 H new ATOM 0 HB3 ALA A 85 6.721 -7.217 0.801 1.00 0.00 H new ATOM 1319 N GLY A 86 9.447 -8.240 3.629 1.00 0.00 N ATOM 1320 CA GLY A 86 10.696 -8.967 3.490 1.00 0.00 C ATOM 1321 C GLY A 86 11.819 -8.349 4.298 1.00 0.00 C ATOM 1322 O GLY A 86 11.717 -7.206 4.743 1.00 0.00 O ATOM 0 H GLY A 86 9.183 -8.022 4.590 1.00 0.00 H new ATOM 0 HA2 GLY A 86 10.549 -9.999 3.808 1.00 0.00 H new ATOM 0 HA3 GLY A 86 10.982 -8.995 2.438 1.00 0.00 H new ATOM 1326 N ASP A 87 12.894 -9.106 4.489 1.00 0.00 N ATOM 1327 CA ASP A 87 14.042 -8.627 5.251 1.00 0.00 C ATOM 1328 C ASP A 87 14.712 -7.454 4.541 1.00 0.00 C ATOM 1329 O ASP A 87 15.095 -6.470 5.173 1.00 0.00 O ATOM 1330 CB ASP A 87 15.050 -9.757 5.460 1.00 0.00 C ATOM 1331 CG ASP A 87 14.577 -10.774 6.479 1.00 0.00 C ATOM 1332 OD1 ASP A 87 14.449 -10.409 7.666 1.00 0.00 O ATOM 1333 OD2 ASP A 87 14.334 -11.936 6.090 1.00 0.00 O ATOM 0 H ASP A 87 12.995 -10.054 4.127 1.00 0.00 H new ATOM 0 HA ASP A 87 13.686 -8.285 6.223 1.00 0.00 H new ATOM 0 HB2 ASP A 87 15.232 -10.258 4.509 1.00 0.00 H new ATOM 0 HB3 ASP A 87 16.001 -9.336 5.786 1.00 0.00 H new ATOM 1338 N MET A 88 14.853 -7.568 3.224 1.00 0.00 N ATOM 1339 CA MET A 88 15.478 -6.518 2.429 1.00 0.00 C ATOM 1340 C MET A 88 14.992 -5.140 2.871 1.00 0.00 C ATOM 1341 O MET A 88 15.766 -4.336 3.390 1.00 0.00 O ATOM 1342 CB MET A 88 15.177 -6.725 0.944 1.00 0.00 C ATOM 1343 CG MET A 88 15.833 -5.693 0.041 1.00 0.00 C ATOM 1344 SD MET A 88 15.478 -5.972 -1.705 1.00 0.00 S ATOM 1345 CE MET A 88 16.485 -4.700 -2.463 1.00 0.00 C ATOM 0 H MET A 88 14.543 -8.377 2.685 1.00 0.00 H new ATOM 0 HA MET A 88 16.556 -6.572 2.584 1.00 0.00 H new ATOM 0 HB2 MET A 88 15.512 -7.719 0.649 1.00 0.00 H new ATOM 0 HB3 MET A 88 14.098 -6.695 0.793 1.00 0.00 H new ATOM 0 HG2 MET A 88 15.489 -4.698 0.323 1.00 0.00 H new ATOM 0 HG3 MET A 88 16.912 -5.713 0.196 1.00 0.00 H new ATOM 0 HE1 MET A 88 16.824 -5.039 -3.442 1.00 0.00 H new ATOM 0 HE2 MET A 88 15.896 -3.790 -2.578 1.00 0.00 H new ATOM 0 HE3 MET A 88 17.349 -4.495 -1.831 1.00 0.00 H new ATOM 1355 N SER A 89 13.707 -4.876 2.660 1.00 0.00 N ATOM 1356 CA SER A 89 13.120 -3.594 3.033 1.00 0.00 C ATOM 1357 C SER A 89 13.109 -3.421 4.548 1.00 0.00 C ATOM 1358 O SER A 89 13.630 -2.438 5.077 1.00 0.00 O ATOM 1359 CB SER A 89 11.695 -3.484 2.486 1.00 0.00 C ATOM 1360 OG SER A 89 11.689 -3.513 1.069 1.00 0.00 O ATOM 0 H SER A 89 13.053 -5.532 2.233 1.00 0.00 H new ATOM 0 HA SER A 89 13.731 -2.803 2.599 1.00 0.00 H new ATOM 0 HB2 SER A 89 11.090 -4.304 2.872 1.00 0.00 H new ATOM 0 HB3 SER A 89 11.238 -2.558 2.836 1.00 0.00 H new ATOM 0 HG SER A 89 11.443 -2.629 0.725 1.00 0.00 H new ATOM 1366 N LYS A 90 12.512 -4.384 5.243 1.00 0.00 N ATOM 1367 CA LYS A 90 12.434 -4.341 6.699 1.00 0.00 C ATOM 1368 C LYS A 90 13.717 -3.774 7.297 1.00 0.00 C ATOM 1369 O LYS A 90 13.694 -3.133 8.347 1.00 0.00 O ATOM 1370 CB LYS A 90 12.173 -5.742 7.257 1.00 0.00 C ATOM 1371 CG LYS A 90 10.699 -6.097 7.345 1.00 0.00 C ATOM 1372 CD LYS A 90 10.496 -7.512 7.862 1.00 0.00 C ATOM 1373 CE LYS A 90 9.071 -7.990 7.632 1.00 0.00 C ATOM 1374 NZ LYS A 90 8.723 -9.139 8.513 1.00 0.00 N ATOM 0 H LYS A 90 12.075 -5.204 4.821 1.00 0.00 H new ATOM 0 HA LYS A 90 11.607 -3.687 6.975 1.00 0.00 H new ATOM 0 HB2 LYS A 90 12.677 -6.475 6.627 1.00 0.00 H new ATOM 0 HB3 LYS A 90 12.616 -5.817 8.250 1.00 0.00 H new ATOM 0 HG2 LYS A 90 10.193 -5.392 8.004 1.00 0.00 H new ATOM 0 HG3 LYS A 90 10.241 -5.999 6.361 1.00 0.00 H new ATOM 0 HD2 LYS A 90 11.192 -8.186 7.363 1.00 0.00 H new ATOM 0 HD3 LYS A 90 10.726 -7.548 8.927 1.00 0.00 H new ATOM 0 HE2 LYS A 90 8.378 -7.169 7.816 1.00 0.00 H new ATOM 0 HE3 LYS A 90 8.950 -8.282 6.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 7.744 -9.436 8.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 9.368 -9.932 8.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 8.814 -8.853 9.509 1.00 0.00 H new ATOM 1388 N SER A 91 14.836 -4.014 6.620 1.00 0.00 N ATOM 1389 CA SER A 91 16.130 -3.529 7.086 1.00 0.00 C ATOM 1390 C SER A 91 16.283 -2.037 6.808 1.00 0.00 C ATOM 1391 O SER A 91 16.746 -1.280 7.661 1.00 0.00 O ATOM 1392 CB SER A 91 17.262 -4.305 6.411 1.00 0.00 C ATOM 1393 OG SER A 91 18.528 -3.787 6.783 1.00 0.00 O ATOM 0 H SER A 91 14.872 -4.541 5.748 1.00 0.00 H new ATOM 0 HA SER A 91 16.184 -3.687 8.163 1.00 0.00 H new ATOM 0 HB2 SER A 91 17.201 -5.358 6.687 1.00 0.00 H new ATOM 0 HB3 SER A 91 17.148 -4.253 5.328 1.00 0.00 H new ATOM 0 HG SER A 91 19.235 -4.301 6.340 1.00 0.00 H new ATOM 1399 N ALA A 92 15.892 -1.622 5.608 1.00 0.00 N ATOM 1400 CA ALA A 92 15.983 -0.221 5.217 1.00 0.00 C ATOM 1401 C ALA A 92 15.074 0.650 6.077 1.00 0.00 C ATOM 1402 O ALA A 92 15.462 1.738 6.503 1.00 0.00 O ATOM 1403 CB ALA A 92 15.633 -0.060 3.745 1.00 0.00 C ATOM 0 H ALA A 92 15.509 -2.236 4.889 1.00 0.00 H new ATOM 0 HA ALA A 92 17.010 0.108 5.373 1.00 0.00 H new ATOM 0 HB1 ALA A 92 15.705 0.991 3.467 1.00 0.00 H new ATOM 0 HB2 ALA A 92 16.327 -0.644 3.140 1.00 0.00 H new ATOM 0 HB3 ALA A 92 14.616 -0.412 3.572 1.00 0.00 H new ATOM 1409 N VAL A 93 13.863 0.164 6.330 1.00 0.00 N ATOM 1410 CA VAL A 93 12.899 0.899 7.140 1.00 0.00 C ATOM 1411 C VAL A 93 13.323 0.931 8.604 1.00 0.00 C ATOM 1412 O VAL A 93 13.202 1.957 9.273 1.00 0.00 O ATOM 1413 CB VAL A 93 11.492 0.279 7.038 1.00 0.00 C ATOM 1414 CG1 VAL A 93 11.037 0.224 5.588 1.00 0.00 C ATOM 1415 CG2 VAL A 93 11.475 -1.108 7.664 1.00 0.00 C ATOM 0 H VAL A 93 13.526 -0.735 5.986 1.00 0.00 H new ATOM 0 HA VAL A 93 12.869 1.917 6.751 1.00 0.00 H new ATOM 0 HB VAL A 93 10.794 0.910 7.589 1.00 0.00 H new ATOM 0 HG11 VAL A 93 10.041 -0.217 5.536 1.00 0.00 H new ATOM 0 HG12 VAL A 93 11.009 1.233 5.177 1.00 0.00 H new ATOM 0 HG13 VAL A 93 11.734 -0.384 5.011 1.00 0.00 H new ATOM 0 HG21 VAL A 93 10.474 -1.531 7.583 1.00 0.00 H new ATOM 0 HG22 VAL A 93 12.184 -1.751 7.143 1.00 0.00 H new ATOM 0 HG23 VAL A 93 11.755 -1.036 8.715 1.00 0.00 H new ATOM 1425 N ASP A 94 13.821 -0.199 9.095 1.00 0.00 N ATOM 1426 CA ASP A 94 14.265 -0.300 10.480 1.00 0.00 C ATOM 1427 C ASP A 94 15.456 0.619 10.738 1.00 0.00 C ATOM 1428 O ASP A 94 15.425 1.454 11.640 1.00 0.00 O ATOM 1429 CB ASP A 94 14.638 -1.745 10.814 1.00 0.00 C ATOM 1430 CG ASP A 94 15.246 -1.881 12.196 1.00 0.00 C ATOM 1431 OD1 ASP A 94 16.480 -1.733 12.318 1.00 0.00 O ATOM 1432 OD2 ASP A 94 14.489 -2.137 13.156 1.00 0.00 O ATOM 0 H ASP A 94 13.927 -1.057 8.554 1.00 0.00 H new ATOM 0 HA ASP A 94 13.442 0.013 11.123 1.00 0.00 H new ATOM 0 HB2 ASP A 94 13.748 -2.371 10.748 1.00 0.00 H new ATOM 0 HB3 ASP A 94 15.344 -2.116 10.071 1.00 0.00 H new ATOM 1483 N ASN A 99 15.501 7.610 3.804 1.00 0.00 N ATOM 1484 CA ASN A 99 14.581 7.018 2.840 1.00 0.00 C ATOM 1485 C ASN A 99 14.519 5.503 3.007 1.00 0.00 C ATOM 1486 O ASN A 99 15.443 4.775 2.643 1.00 0.00 O ATOM 1487 CB ASN A 99 15.010 7.368 1.413 1.00 0.00 C ATOM 1488 CG ASN A 99 15.352 8.837 1.256 1.00 0.00 C ATOM 1489 OD1 ASN A 99 16.462 9.188 0.858 1.00 0.00 O ATOM 1490 ND2 ASN A 99 14.395 9.704 1.569 1.00 0.00 N ATOM 0 HA ASN A 99 13.588 7.427 3.024 1.00 0.00 H new ATOM 0 HB2 ASN A 99 15.875 6.765 1.138 1.00 0.00 H new ATOM 0 HB3 ASN A 99 14.208 7.108 0.722 1.00 0.00 H new ATOM 0 HD21 ASN A 99 14.566 10.706 1.483 1.00 0.00 H new ATOM 0 HD22 ASN A 99 13.489 9.368 1.895 1.00 0.00 H new ATOM 1497 N PRO A 100 13.404 5.015 3.570 1.00 0.00 N ATOM 1498 CA PRO A 100 13.193 3.582 3.797 1.00 0.00 C ATOM 1499 C PRO A 100 12.990 2.813 2.497 1.00 0.00 C ATOM 1500 O PRO A 100 12.972 1.582 2.488 1.00 0.00 O ATOM 1501 CB PRO A 100 11.921 3.541 4.647 1.00 0.00 C ATOM 1502 CG PRO A 100 11.199 4.800 4.309 1.00 0.00 C ATOM 1503 CD PRO A 100 12.262 5.825 4.028 1.00 0.00 C ATOM 0 HA PRO A 100 14.055 3.113 4.272 1.00 0.00 H new ATOM 0 HB2 PRO A 100 11.317 2.664 4.414 1.00 0.00 H new ATOM 0 HB3 PRO A 100 12.157 3.493 5.710 1.00 0.00 H new ATOM 0 HG2 PRO A 100 10.554 4.659 3.442 1.00 0.00 H new ATOM 0 HG3 PRO A 100 10.560 5.117 5.133 1.00 0.00 H new ATOM 0 HD2 PRO A 100 11.943 6.537 3.266 1.00 0.00 H new ATOM 0 HD3 PRO A 100 12.510 6.402 4.919 1.00 0.00 H new ATOM 1511 N PHE A 101 12.838 3.546 1.399 1.00 0.00 N ATOM 1512 CA PHE A 101 12.635 2.932 0.091 1.00 0.00 C ATOM 1513 C PHE A 101 13.964 2.483 -0.510 1.00 0.00 C ATOM 1514 O PHE A 101 15.018 3.039 -0.200 1.00 0.00 O ATOM 1515 CB PHE A 101 11.939 3.912 -0.854 1.00 0.00 C ATOM 1516 CG PHE A 101 11.053 3.243 -1.866 1.00 0.00 C ATOM 1517 CD1 PHE A 101 9.890 2.602 -1.471 1.00 0.00 C ATOM 1518 CD2 PHE A 101 11.383 3.255 -3.211 1.00 0.00 C ATOM 1519 CE1 PHE A 101 9.072 1.986 -2.399 1.00 0.00 C ATOM 1520 CE2 PHE A 101 10.569 2.641 -4.144 1.00 0.00 C ATOM 1521 CZ PHE A 101 9.413 2.005 -3.737 1.00 0.00 C ATOM 0 H PHE A 101 12.851 4.566 1.388 1.00 0.00 H new ATOM 0 HA PHE A 101 12.001 2.055 0.223 1.00 0.00 H new ATOM 0 HB2 PHE A 101 11.343 4.610 -0.266 1.00 0.00 H new ATOM 0 HB3 PHE A 101 12.694 4.499 -1.376 1.00 0.00 H new ATOM 0 HD1 PHE A 101 9.620 2.584 -0.426 1.00 0.00 H new ATOM 0 HD2 PHE A 101 12.287 3.750 -3.534 1.00 0.00 H new ATOM 0 HE1 PHE A 101 8.168 1.491 -2.078 1.00 0.00 H new ATOM 0 HE2 PHE A 101 10.837 2.659 -5.190 1.00 0.00 H new ATOM 0 HZ PHE A 101 8.776 1.523 -4.464 1.00 0.00 H new ATOM 1531 N LEU A 102 13.905 1.474 -1.373 1.00 0.00 N ATOM 1532 CA LEU A 102 15.103 0.950 -2.019 1.00 0.00 C ATOM 1533 C LEU A 102 14.980 1.024 -3.537 1.00 0.00 C ATOM 1534 O LEU A 102 15.861 0.566 -4.265 1.00 0.00 O ATOM 1535 CB LEU A 102 15.348 -0.497 -1.586 1.00 0.00 C ATOM 1536 CG LEU A 102 15.467 -0.736 -0.080 1.00 0.00 C ATOM 1537 CD1 LEU A 102 15.499 -2.226 0.223 1.00 0.00 C ATOM 1538 CD2 LEU A 102 16.707 -0.050 0.473 1.00 0.00 C ATOM 0 H LEU A 102 13.041 1.003 -1.641 1.00 0.00 H new ATOM 0 HA LEU A 102 15.950 1.564 -1.711 1.00 0.00 H new ATOM 0 HB2 LEU A 102 14.533 -1.112 -1.968 1.00 0.00 H new ATOM 0 HB3 LEU A 102 16.263 -0.848 -2.063 1.00 0.00 H new ATOM 0 HG LEU A 102 14.592 -0.306 0.407 1.00 0.00 H new ATOM 0 HD11 LEU A 102 15.584 -2.377 1.299 1.00 0.00 H new ATOM 0 HD12 LEU A 102 14.581 -2.690 -0.137 1.00 0.00 H new ATOM 0 HD13 LEU A 102 16.355 -2.680 -0.276 1.00 0.00 H new ATOM 0 HD21 LEU A 102 16.775 -0.231 1.546 1.00 0.00 H new ATOM 0 HD22 LEU A 102 17.594 -0.449 -0.019 1.00 0.00 H new ATOM 0 HD23 LEU A 102 16.642 1.022 0.289 1.00 0.00 H new ATOM 1550 N ASP A 103 13.882 1.606 -4.009 1.00 0.00 N ATOM 1551 CA ASP A 103 13.645 1.743 -5.441 1.00 0.00 C ATOM 1552 C ASP A 103 14.230 0.560 -6.205 1.00 0.00 C ATOM 1553 O ASP A 103 14.873 0.733 -7.239 1.00 0.00 O ATOM 1554 CB ASP A 103 14.251 3.049 -5.957 1.00 0.00 C ATOM 1555 CG ASP A 103 14.006 3.256 -7.439 1.00 0.00 C ATOM 1556 OD1 ASP A 103 13.344 2.395 -8.056 1.00 0.00 O ATOM 1557 OD2 ASP A 103 14.476 4.278 -7.980 1.00 0.00 O ATOM 0 H ASP A 103 13.143 1.990 -3.421 1.00 0.00 H new ATOM 0 HA ASP A 103 12.568 1.761 -5.605 1.00 0.00 H new ATOM 0 HB2 ASP A 103 13.829 3.886 -5.402 1.00 0.00 H new ATOM 0 HB3 ASP A 103 15.324 3.049 -5.766 1.00 0.00 H new ATOM 1562 N ASN A 104 14.003 -0.643 -5.687 1.00 0.00 N ATOM 1563 CA ASN A 104 14.509 -1.856 -6.320 1.00 0.00 C ATOM 1564 C ASN A 104 13.375 -2.836 -6.603 1.00 0.00 C ATOM 1565 O ASN A 104 12.420 -2.958 -5.835 1.00 0.00 O ATOM 1566 CB ASN A 104 15.561 -2.520 -5.429 1.00 0.00 C ATOM 1567 CG ASN A 104 16.964 -2.024 -5.724 1.00 0.00 C ATOM 1568 OD1 ASN A 104 17.294 -1.705 -6.866 1.00 0.00 O ATOM 1569 ND2 ASN A 104 17.797 -1.959 -4.692 1.00 0.00 N ATOM 0 H ASN A 104 13.472 -0.804 -4.831 1.00 0.00 H new ATOM 0 HA ASN A 104 14.969 -1.576 -7.268 1.00 0.00 H new ATOM 0 HB2 ASN A 104 15.322 -2.326 -4.383 1.00 0.00 H new ATOM 0 HB3 ASN A 104 15.523 -3.600 -5.570 1.00 0.00 H new ATOM 0 HD21 ASN A 104 18.754 -1.634 -4.829 1.00 0.00 H new ATOM 0 HD22 ASN A 104 17.480 -2.234 -3.762 1.00 0.00 H new ATOM 1576 N PRO A 105 13.480 -3.552 -7.732 1.00 0.00 N ATOM 1577 CA PRO A 105 12.473 -4.535 -8.142 1.00 0.00 C ATOM 1578 C PRO A 105 12.466 -5.768 -7.245 1.00 0.00 C ATOM 1579 O PRO A 105 11.547 -6.584 -7.302 1.00 0.00 O ATOM 1580 CB PRO A 105 12.901 -4.910 -9.563 1.00 0.00 C ATOM 1581 CG PRO A 105 14.365 -4.636 -9.601 1.00 0.00 C ATOM 1582 CD PRO A 105 14.590 -3.458 -8.694 1.00 0.00 C ATOM 0 HA PRO A 105 11.462 -4.133 -8.079 1.00 0.00 H new ATOM 0 HB2 PRO A 105 12.688 -5.957 -9.777 1.00 0.00 H new ATOM 0 HB3 PRO A 105 12.368 -4.318 -10.307 1.00 0.00 H new ATOM 0 HG2 PRO A 105 14.933 -5.503 -9.263 1.00 0.00 H new ATOM 0 HG3 PRO A 105 14.694 -4.415 -10.616 1.00 0.00 H new ATOM 0 HD2 PRO A 105 15.558 -3.513 -8.197 1.00 0.00 H new ATOM 0 HD3 PRO A 105 14.567 -2.517 -9.244 1.00 0.00 H new ATOM 1590 N ASP A 106 13.496 -5.896 -6.416 1.00 0.00 N ATOM 1591 CA ASP A 106 13.608 -7.029 -5.504 1.00 0.00 C ATOM 1592 C ASP A 106 12.826 -6.772 -4.220 1.00 0.00 C ATOM 1593 O ASP A 106 12.459 -7.706 -3.508 1.00 0.00 O ATOM 1594 CB ASP A 106 15.077 -7.303 -5.176 1.00 0.00 C ATOM 1595 CG ASP A 106 15.815 -7.956 -6.328 1.00 0.00 C ATOM 1596 OD1 ASP A 106 15.212 -8.806 -7.014 1.00 0.00 O ATOM 1597 OD2 ASP A 106 16.997 -7.615 -6.543 1.00 0.00 O ATOM 0 H ASP A 106 14.266 -5.229 -6.356 1.00 0.00 H new ATOM 0 HA ASP A 106 13.184 -7.904 -5.997 1.00 0.00 H new ATOM 0 HB2 ASP A 106 15.570 -6.366 -4.917 1.00 0.00 H new ATOM 0 HB3 ASP A 106 15.136 -7.947 -4.299 1.00 0.00 H new ATOM 1602 N ALA A 107 12.576 -5.499 -3.930 1.00 0.00 N ATOM 1603 CA ALA A 107 11.837 -5.120 -2.732 1.00 0.00 C ATOM 1604 C ALA A 107 10.333 -5.236 -2.955 1.00 0.00 C ATOM 1605 O ALA A 107 9.789 -4.662 -3.899 1.00 0.00 O ATOM 1606 CB ALA A 107 12.202 -3.704 -2.313 1.00 0.00 C ATOM 0 H ALA A 107 12.874 -4.713 -4.508 1.00 0.00 H new ATOM 0 HA ALA A 107 12.113 -5.807 -1.932 1.00 0.00 H new ATOM 0 HB1 ALA A 107 11.643 -3.434 -1.417 1.00 0.00 H new ATOM 0 HB2 ALA A 107 13.270 -3.650 -2.104 1.00 0.00 H new ATOM 0 HB3 ALA A 107 11.955 -3.011 -3.117 1.00 0.00 H new ATOM 1612 N PHE A 108 9.666 -5.983 -2.081 1.00 0.00 N ATOM 1613 CA PHE A 108 8.224 -6.176 -2.184 1.00 0.00 C ATOM 1614 C PHE A 108 7.480 -5.216 -1.261 1.00 0.00 C ATOM 1615 O PHE A 108 7.872 -5.012 -0.112 1.00 0.00 O ATOM 1616 CB PHE A 108 7.855 -7.620 -1.840 1.00 0.00 C ATOM 1617 CG PHE A 108 8.811 -8.633 -2.404 1.00 0.00 C ATOM 1618 CD1 PHE A 108 9.049 -8.696 -3.767 1.00 0.00 C ATOM 1619 CD2 PHE A 108 9.470 -9.523 -1.571 1.00 0.00 C ATOM 1620 CE1 PHE A 108 9.928 -9.627 -4.290 1.00 0.00 C ATOM 1621 CE2 PHE A 108 10.349 -10.455 -2.087 1.00 0.00 C ATOM 1622 CZ PHE A 108 10.578 -10.508 -3.448 1.00 0.00 C ATOM 0 H PHE A 108 10.101 -6.464 -1.294 1.00 0.00 H new ATOM 0 HA PHE A 108 7.928 -5.968 -3.212 1.00 0.00 H new ATOM 0 HB2 PHE A 108 7.820 -7.729 -0.756 1.00 0.00 H new ATOM 0 HB3 PHE A 108 6.853 -7.830 -2.214 1.00 0.00 H new ATOM 0 HD1 PHE A 108 8.542 -8.010 -4.429 1.00 0.00 H new ATOM 0 HD2 PHE A 108 9.294 -9.487 -0.506 1.00 0.00 H new ATOM 0 HE1 PHE A 108 10.106 -9.665 -5.355 1.00 0.00 H new ATOM 0 HE2 PHE A 108 10.857 -11.142 -1.427 1.00 0.00 H new ATOM 0 HZ PHE A 108 11.264 -11.237 -3.853 1.00 0.00 H new ATOM 1632 N TYR A 109 6.404 -4.628 -1.772 1.00 0.00 N ATOM 1633 CA TYR A 109 5.605 -3.687 -0.996 1.00 0.00 C ATOM 1634 C TYR A 109 4.115 -3.900 -1.246 1.00 0.00 C ATOM 1635 O TYR A 109 3.707 -4.283 -2.342 1.00 0.00 O ATOM 1636 CB TYR A 109 5.991 -2.248 -1.346 1.00 0.00 C ATOM 1637 CG TYR A 109 7.422 -1.904 -0.997 1.00 0.00 C ATOM 1638 CD1 TYR A 109 7.831 -1.803 0.327 1.00 0.00 C ATOM 1639 CD2 TYR A 109 8.365 -1.679 -1.993 1.00 0.00 C ATOM 1640 CE1 TYR A 109 9.136 -1.488 0.649 1.00 0.00 C ATOM 1641 CE2 TYR A 109 9.673 -1.365 -1.680 1.00 0.00 C ATOM 1642 CZ TYR A 109 10.054 -1.270 -0.358 1.00 0.00 C ATOM 1643 OH TYR A 109 11.356 -0.956 -0.041 1.00 0.00 O ATOM 0 H TYR A 109 6.065 -4.787 -2.721 1.00 0.00 H new ATOM 0 HA TYR A 109 5.806 -3.864 0.060 1.00 0.00 H new ATOM 0 HB2 TYR A 109 5.838 -2.089 -2.413 1.00 0.00 H new ATOM 0 HB3 TYR A 109 5.323 -1.564 -0.822 1.00 0.00 H new ATOM 0 HD1 TYR A 109 7.116 -1.974 1.118 1.00 0.00 H new ATOM 0 HD2 TYR A 109 8.070 -1.751 -3.029 1.00 0.00 H new ATOM 0 HE1 TYR A 109 9.437 -1.413 1.684 1.00 0.00 H new ATOM 0 HE2 TYR A 109 10.394 -1.195 -2.466 1.00 0.00 H new ATOM 0 HH TYR A 109 11.873 -0.835 -0.865 1.00 0.00 H new ATOM 1653 N TYR A 110 3.309 -3.650 -0.220 1.00 0.00 N ATOM 1654 CA TYR A 110 1.864 -3.816 -0.326 1.00 0.00 C ATOM 1655 C TYR A 110 1.132 -2.742 0.472 1.00 0.00 C ATOM 1656 O TYR A 110 1.734 -2.034 1.281 1.00 0.00 O ATOM 1657 CB TYR A 110 1.452 -5.204 0.167 1.00 0.00 C ATOM 1658 CG TYR A 110 1.722 -5.429 1.638 1.00 0.00 C ATOM 1659 CD1 TYR A 110 2.981 -5.812 2.083 1.00 0.00 C ATOM 1660 CD2 TYR A 110 0.718 -5.256 2.583 1.00 0.00 C ATOM 1661 CE1 TYR A 110 3.232 -6.019 3.425 1.00 0.00 C ATOM 1662 CE2 TYR A 110 0.960 -5.460 3.928 1.00 0.00 C ATOM 1663 CZ TYR A 110 2.219 -5.842 4.344 1.00 0.00 C ATOM 1664 OH TYR A 110 2.465 -6.045 5.682 1.00 0.00 O ATOM 0 H TYR A 110 3.631 -3.332 0.694 1.00 0.00 H new ATOM 0 HA TYR A 110 1.588 -3.714 -1.375 1.00 0.00 H new ATOM 0 HB2 TYR A 110 0.389 -5.348 -0.025 1.00 0.00 H new ATOM 0 HB3 TYR A 110 1.985 -5.959 -0.411 1.00 0.00 H new ATOM 0 HD1 TYR A 110 3.777 -5.950 1.367 1.00 0.00 H new ATOM 0 HD2 TYR A 110 -0.268 -4.957 2.261 1.00 0.00 H new ATOM 0 HE1 TYR A 110 4.217 -6.318 3.753 1.00 0.00 H new ATOM 0 HE2 TYR A 110 0.168 -5.321 4.649 1.00 0.00 H new ATOM 0 HH TYR A 110 1.647 -5.877 6.194 1.00 0.00 H new ATOM 1674 N PHE A 111 -0.171 -2.626 0.240 1.00 0.00 N ATOM 1675 CA PHE A 111 -0.987 -1.638 0.937 1.00 0.00 C ATOM 1676 C PHE A 111 -1.639 -2.247 2.174 1.00 0.00 C ATOM 1677 O PHE A 111 -2.038 -3.412 2.188 1.00 0.00 O ATOM 1678 CB PHE A 111 -2.062 -1.083 0.001 1.00 0.00 C ATOM 1679 CG PHE A 111 -1.506 -0.451 -1.244 1.00 0.00 C ATOM 1680 CD1 PHE A 111 -0.655 0.639 -1.162 1.00 0.00 C ATOM 1681 CD2 PHE A 111 -1.834 -0.949 -2.495 1.00 0.00 C ATOM 1682 CE1 PHE A 111 -0.143 1.222 -2.306 1.00 0.00 C ATOM 1683 CE2 PHE A 111 -1.325 -0.370 -3.642 1.00 0.00 C ATOM 1684 CZ PHE A 111 -0.477 0.716 -3.547 1.00 0.00 C ATOM 0 H PHE A 111 -0.685 -3.204 -0.425 1.00 0.00 H new ATOM 0 HA PHE A 111 -0.336 -0.824 1.255 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -2.738 -1.890 -0.282 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -2.655 -0.344 0.540 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -0.389 1.037 -0.194 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -2.495 -1.799 -2.574 1.00 0.00 H new ATOM 0 HE1 PHE A 111 0.518 2.073 -2.229 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -1.590 -0.766 -4.611 1.00 0.00 H new ATOM 0 HZ PHE A 111 -0.076 1.169 -4.442 1.00 0.00 H new ATOM 1694 N PRO A 112 -1.750 -1.441 3.241 1.00 0.00 N ATOM 1695 CA PRO A 112 -2.353 -1.878 4.504 1.00 0.00 C ATOM 1696 C PRO A 112 -3.858 -2.090 4.385 1.00 0.00 C ATOM 1697 O PRO A 112 -4.516 -2.492 5.345 1.00 0.00 O ATOM 1698 CB PRO A 112 -2.050 -0.722 5.460 1.00 0.00 C ATOM 1699 CG PRO A 112 -1.894 0.469 4.578 1.00 0.00 C ATOM 1700 CD PRO A 112 -1.296 -0.041 3.296 1.00 0.00 C ATOM 0 HA PRO A 112 -1.956 -2.838 4.834 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -2.858 -0.580 6.178 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -1.143 -0.911 6.034 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -2.856 0.949 4.396 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -1.248 1.215 5.040 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -1.645 0.529 2.435 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -0.208 0.029 3.304 1.00 0.00 H new ATOM 1708 N ASP A 113 -4.398 -1.818 3.202 1.00 0.00 N ATOM 1709 CA ASP A 113 -5.826 -1.980 2.957 1.00 0.00 C ATOM 1710 C ASP A 113 -6.105 -3.282 2.213 1.00 0.00 C ATOM 1711 O ASP A 113 -7.006 -4.037 2.578 1.00 0.00 O ATOM 1712 CB ASP A 113 -6.366 -0.795 2.156 1.00 0.00 C ATOM 1713 CG ASP A 113 -6.786 0.360 3.043 1.00 0.00 C ATOM 1714 OD1 ASP A 113 -5.902 0.973 3.678 1.00 0.00 O ATOM 1715 OD2 ASP A 113 -7.999 0.652 3.104 1.00 0.00 O ATOM 0 H ASP A 113 -3.868 -1.484 2.397 1.00 0.00 H new ATOM 0 HA ASP A 113 -6.333 -2.017 3.921 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -5.602 -0.454 1.458 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -7.219 -1.121 1.561 1.00 0.00 H new ATOM 1720 N SER A 114 -5.326 -3.539 1.166 1.00 0.00 N ATOM 1721 CA SER A 114 -5.493 -4.747 0.367 1.00 0.00 C ATOM 1722 C SER A 114 -5.444 -5.992 1.248 1.00 0.00 C ATOM 1723 O SER A 114 -4.843 -5.983 2.322 1.00 0.00 O ATOM 1724 CB SER A 114 -4.407 -4.826 -0.708 1.00 0.00 C ATOM 1725 OG SER A 114 -4.875 -5.514 -1.855 1.00 0.00 O ATOM 0 H SER A 114 -4.573 -2.926 0.852 1.00 0.00 H new ATOM 0 HA SER A 114 -6.470 -4.703 -0.115 1.00 0.00 H new ATOM 0 HB2 SER A 114 -4.092 -3.820 -0.986 1.00 0.00 H new ATOM 0 HB3 SER A 114 -3.530 -5.335 -0.307 1.00 0.00 H new ATOM 0 HG SER A 114 -4.164 -5.550 -2.528 1.00 0.00 H new ATOM 1731 N GLY A 115 -6.081 -7.063 0.785 1.00 0.00 N ATOM 1732 CA GLY A 115 -6.099 -8.301 1.542 1.00 0.00 C ATOM 1733 C GLY A 115 -4.846 -9.127 1.331 1.00 0.00 C ATOM 1734 O GLY A 115 -4.909 -10.243 0.814 1.00 0.00 O ATOM 0 H GLY A 115 -6.585 -7.095 -0.101 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -6.206 -8.073 2.603 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -6.971 -8.888 1.252 1.00 0.00 H new ATOM 1738 N PHE A 116 -3.703 -8.579 1.730 1.00 0.00 N ATOM 1739 CA PHE A 116 -2.429 -9.272 1.580 1.00 0.00 C ATOM 1740 C PHE A 116 -2.309 -10.415 2.584 1.00 0.00 C ATOM 1741 O PHE A 116 -2.769 -10.307 3.721 1.00 0.00 O ATOM 1742 CB PHE A 116 -1.267 -8.293 1.763 1.00 0.00 C ATOM 1743 CG PHE A 116 0.026 -8.961 2.135 1.00 0.00 C ATOM 1744 CD1 PHE A 116 0.241 -9.413 3.427 1.00 0.00 C ATOM 1745 CD2 PHE A 116 1.027 -9.136 1.193 1.00 0.00 C ATOM 1746 CE1 PHE A 116 1.430 -10.028 3.773 1.00 0.00 C ATOM 1747 CE2 PHE A 116 2.217 -9.751 1.532 1.00 0.00 C ATOM 1748 CZ PHE A 116 2.419 -10.196 2.824 1.00 0.00 C ATOM 0 H PHE A 116 -3.633 -7.657 2.160 1.00 0.00 H new ATOM 0 HA PHE A 116 -2.388 -9.690 0.574 1.00 0.00 H new ATOM 0 HB2 PHE A 116 -1.125 -7.733 0.839 1.00 0.00 H new ATOM 0 HB3 PHE A 116 -1.529 -7.571 2.536 1.00 0.00 H new ATOM 0 HD1 PHE A 116 -0.529 -9.283 4.173 1.00 0.00 H new ATOM 0 HD2 PHE A 116 0.875 -8.788 0.182 1.00 0.00 H new ATOM 0 HE1 PHE A 116 1.585 -10.376 4.783 1.00 0.00 H new ATOM 0 HE2 PHE A 116 2.988 -9.884 0.788 1.00 0.00 H new ATOM 0 HZ PHE A 116 3.349 -10.675 3.092 1.00 0.00 H new ATOM 1758 N PHE A 117 -1.689 -11.509 2.155 1.00 0.00 N ATOM 1759 CA PHE A 117 -1.510 -12.673 3.015 1.00 0.00 C ATOM 1760 C PHE A 117 -0.227 -13.419 2.660 1.00 0.00 C ATOM 1761 O PHE A 117 -0.072 -13.911 1.541 1.00 0.00 O ATOM 1762 CB PHE A 117 -2.711 -13.613 2.893 1.00 0.00 C ATOM 1763 CG PHE A 117 -2.595 -14.589 1.758 1.00 0.00 C ATOM 1764 CD1 PHE A 117 -3.004 -14.239 0.481 1.00 0.00 C ATOM 1765 CD2 PHE A 117 -2.078 -15.858 1.968 1.00 0.00 C ATOM 1766 CE1 PHE A 117 -2.898 -15.135 -0.566 1.00 0.00 C ATOM 1767 CE2 PHE A 117 -1.970 -16.758 0.924 1.00 0.00 C ATOM 1768 CZ PHE A 117 -2.382 -16.396 -0.344 1.00 0.00 C ATOM 0 H PHE A 117 -1.302 -11.614 1.217 1.00 0.00 H new ATOM 0 HA PHE A 117 -1.434 -12.325 4.045 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -2.827 -14.165 3.826 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -3.615 -13.019 2.760 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -3.410 -13.255 0.302 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -1.756 -16.147 2.958 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -3.219 -14.849 -1.557 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -1.564 -17.743 1.100 1.00 0.00 H new ATOM 0 HZ PHE A 117 -2.301 -17.098 -1.160 1.00 0.00 H new ATOM 1778 N CYS A 118 0.689 -13.499 3.618 1.00 0.00 N ATOM 1779 CA CYS A 118 1.959 -14.184 3.407 1.00 0.00 C ATOM 1780 C CYS A 118 1.835 -15.670 3.727 1.00 0.00 C ATOM 1781 O CYS A 118 1.096 -16.060 4.630 1.00 0.00 O ATOM 1782 CB CYS A 118 3.052 -13.553 4.272 1.00 0.00 C ATOM 1783 SG CYS A 118 2.716 -13.613 6.047 1.00 0.00 S ATOM 0 H CYS A 118 0.576 -13.098 4.549 1.00 0.00 H new ATOM 0 HA CYS A 118 2.231 -14.079 2.357 1.00 0.00 H new ATOM 0 HB2 CYS A 118 3.996 -14.062 4.074 1.00 0.00 H new ATOM 0 HB3 CYS A 118 3.182 -12.513 3.973 1.00 0.00 H new ATOM 0 HG CYS A 118 1.919 -14.607 6.304 1.00 0.00 H new ATOM 1789 N GLU A 119 2.562 -16.494 2.979 1.00 0.00 N ATOM 1790 CA GLU A 119 2.531 -17.938 3.182 1.00 0.00 C ATOM 1791 C GLU A 119 3.922 -18.541 3.012 1.00 0.00 C ATOM 1792 O GLU A 119 4.545 -18.404 1.960 1.00 0.00 O ATOM 1793 CB GLU A 119 1.556 -18.592 2.201 1.00 0.00 C ATOM 1794 CG GLU A 119 1.752 -18.147 0.761 1.00 0.00 C ATOM 1795 CD GLU A 119 0.716 -18.736 -0.177 1.00 0.00 C ATOM 1796 OE1 GLU A 119 0.646 -19.979 -0.278 1.00 0.00 O ATOM 1797 OE2 GLU A 119 -0.024 -17.954 -0.810 1.00 0.00 O ATOM 0 H GLU A 119 3.179 -16.187 2.227 1.00 0.00 H new ATOM 0 HA GLU A 119 2.193 -18.129 4.201 1.00 0.00 H new ATOM 0 HB2 GLU A 119 1.669 -19.675 2.257 1.00 0.00 H new ATOM 0 HB3 GLU A 119 0.536 -18.362 2.508 1.00 0.00 H new ATOM 0 HG2 GLU A 119 1.705 -17.059 0.711 1.00 0.00 H new ATOM 0 HG3 GLU A 119 2.747 -18.439 0.427 1.00 0.00 H new