USER MOD reduce.3.24.130724 H: found=0, std=0, add=969, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 970 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 12 TYR OH : rot 29:sc= 0.68 USER MOD Set 1.2: A 89 TYR OH : rot -159:sc= 0.386 USER MOD Single : A 10 ASN :FLIP amide:sc=-0.00172 F(o=-0.75,f=-0.0017) USER MOD Single : A 14 TYR OH : rot -23:sc= 0.429 USER MOD Single : A 17 ASN : amide:sc= -0.071 K(o=-0.071,f=-3.4!) USER MOD Single : A 19 ASN : amide:sc= -0.216 K(o=-0.22,f=-11!) USER MOD Single : A 23 THR OG1 : rot 57:sc= -2.35! USER MOD Single : A 29 THR OG1 : rot 80:sc= 1.23 USER MOD Single : A 32 SER OG : rot 87:sc= 1.27 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 THR OG1 : rot -23:sc= 0.0833 USER MOD Single : A 51 SER OG : rot 180:sc= 0.00371 USER MOD Single : A 52 GLN : amide:sc= 1.87 K(o=1.9,f=-0.18) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 TYR OH : rot -159:sc= 0.733 USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.249 USER MOD Single : A 71 ASN : amide:sc= -0.233 K(o=-0.23,f=-1.7!) USER MOD Single : A 73 ASN : amide:sc= -0.933 K(o=-0.93,f=-3.1!) USER MOD Single : A 76 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0793) USER MOD Single : A 83 LYS NZ :NH3+ -179:sc= 2.04 (180deg=2.01) USER MOD Single : A 86 HIS : no HE2:sc= -0.226 K(o=-0.23,f=-4!) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ -164:sc= 1.26 (180deg=0.83) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc= -2.5! C(o=-2.5!,f=-6.9!) USER MOD Single : A 97 LYS NZ :NH3+ 178:sc= 1.28 (180deg=1.2) USER MOD Single : A 98 TYR OH : rot 28:sc= 1.75 USER MOD Single : A 99 TYR OH : rot 0:sc= 0.783 USER MOD Single : A 103 LYS NZ :NH3+ -179:sc= 0.865 (180deg=0.831) USER MOD Single : B 209 MET CE :methyl 165:sc= 0 (180deg=-0.132) USER MOD Single : B 213 SER OG : rot 180:sc= 0 USER MOD Single : B 215 SER OG : rot -95:sc= 1.32 USER MOD Single : C 317 SER OG : rot -95:sc= 0.248 USER MOD ----------------------------------------------------------------- ATOM 128 N ASN A 10 4.936 3.674 -6.693 1.00 0.00 N ATOM 129 CA ASN A 10 5.861 4.794 -6.525 1.00 0.00 C ATOM 130 C ASN A 10 5.117 6.005 -5.988 1.00 0.00 C ATOM 131 O ASN A 10 4.321 6.629 -6.711 1.00 0.00 O ATOM 132 CB ASN A 10 6.530 5.191 -7.855 1.00 0.00 C ATOM 133 CG ASN A 10 7.285 4.076 -8.566 1.00 0.00 C ATOM 134 OD1 ASN A 10 7.790 3.116 -7.842 1.00 0.00 O flip ATOM 135 ND2 ASN A 10 7.404 4.087 -9.785 1.00 0.00 N flip ATOM 0 HA ASN A 10 6.632 4.471 -5.825 1.00 0.00 H new ATOM 0 HB2 ASN A 10 5.763 5.573 -8.528 1.00 0.00 H new ATOM 0 HB3 ASN A 10 7.223 6.010 -7.663 1.00 0.00 H new ATOM 0 HD21 ASN A 10 7.000 4.849 -10.330 1.00 0.00 H new ATOM 0 HD22 ASN A 10 7.907 3.334 -10.255 1.00 0.00 H new ATOM 142 N ALA A 11 5.344 6.321 -4.730 1.00 0.00 N ATOM 143 CA ALA A 11 4.693 7.458 -4.103 1.00 0.00 C ATOM 144 C ALA A 11 5.484 8.731 -4.326 1.00 0.00 C ATOM 145 O ALA A 11 4.961 9.833 -4.172 1.00 0.00 O ATOM 146 CB ALA A 11 4.486 7.213 -2.621 1.00 0.00 C ATOM 0 H ALA A 11 5.976 5.806 -4.118 1.00 0.00 H new ATOM 0 HA ALA A 11 3.716 7.580 -4.570 1.00 0.00 H new ATOM 0 HB1 ALA A 11 3.997 8.079 -2.174 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.861 6.331 -2.482 1.00 0.00 H new ATOM 0 HB3 ALA A 11 5.451 7.053 -2.140 1.00 0.00 H new ATOM 152 N TYR A 12 6.743 8.568 -4.674 1.00 0.00 N ATOM 153 CA TYR A 12 7.596 9.690 -4.972 1.00 0.00 C ATOM 154 C TYR A 12 7.439 10.093 -6.415 1.00 0.00 C ATOM 155 O TYR A 12 7.199 9.259 -7.300 1.00 0.00 O ATOM 156 CB TYR A 12 9.082 9.396 -4.696 1.00 0.00 C ATOM 157 CG TYR A 12 9.540 9.448 -3.249 1.00 0.00 C ATOM 158 CD1 TYR A 12 10.005 10.639 -2.707 1.00 0.00 C ATOM 159 CD2 TYR A 12 9.570 8.311 -2.449 1.00 0.00 C ATOM 160 CE1 TYR A 12 10.479 10.704 -1.412 1.00 0.00 C ATOM 161 CE2 TYR A 12 10.058 8.365 -1.150 1.00 0.00 C ATOM 162 CZ TYR A 12 10.510 9.568 -0.636 1.00 0.00 C ATOM 163 OH TYR A 12 11.030 9.622 0.647 1.00 0.00 O ATOM 0 H TYR A 12 7.198 7.659 -4.757 1.00 0.00 H new ATOM 0 HA TYR A 12 7.286 10.500 -4.312 1.00 0.00 H new ATOM 0 HB2 TYR A 12 9.309 8.404 -5.087 1.00 0.00 H new ATOM 0 HB3 TYR A 12 9.679 10.108 -5.266 1.00 0.00 H new ATOM 0 HD1 TYR A 12 9.996 11.534 -3.312 1.00 0.00 H new ATOM 0 HD2 TYR A 12 9.209 7.373 -2.843 1.00 0.00 H new ATOM 0 HE1 TYR A 12 10.825 11.644 -1.009 1.00 0.00 H new ATOM 0 HE2 TYR A 12 10.085 7.472 -0.543 1.00 0.00 H new ATOM 0 HH TYR A 12 10.901 10.521 1.015 1.00 0.00 H new ATOM 173 N ILE A 13 7.538 11.347 -6.641 1.00 0.00 N ATOM 174 CA ILE A 13 7.519 11.879 -7.944 1.00 0.00 C ATOM 175 C ILE A 13 8.855 12.487 -8.281 1.00 0.00 C ATOM 176 O ILE A 13 9.483 13.161 -7.452 1.00 0.00 O ATOM 177 CB ILE A 13 6.358 12.878 -8.190 1.00 0.00 C ATOM 178 CG1 ILE A 13 6.226 13.903 -7.045 1.00 0.00 C ATOM 179 CG2 ILE A 13 5.060 12.134 -8.457 1.00 0.00 C ATOM 180 CD1 ILE A 13 5.087 14.892 -7.204 1.00 0.00 C ATOM 0 H ILE A 13 7.637 12.047 -5.906 1.00 0.00 H new ATOM 0 HA ILE A 13 7.330 11.045 -8.620 1.00 0.00 H new ATOM 0 HB ILE A 13 6.594 13.456 -9.084 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.092 13.364 -6.107 1.00 0.00 H new ATOM 0 HG13 ILE A 13 7.161 14.457 -6.963 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.258 12.852 -8.627 1.00 0.00 H new ATOM 0 HG22 ILE A 13 5.176 11.504 -9.339 1.00 0.00 H new ATOM 0 HG23 ILE A 13 4.814 11.512 -7.597 1.00 0.00 H new ATOM 0 HD11 ILE A 13 5.074 15.572 -6.352 1.00 0.00 H new ATOM 0 HD12 ILE A 13 5.227 15.463 -8.122 1.00 0.00 H new ATOM 0 HD13 ILE A 13 4.141 14.353 -7.253 1.00 0.00 H new ATOM 192 N TYR A 14 9.292 12.183 -9.462 1.00 0.00 N ATOM 193 CA TYR A 14 10.522 12.656 -10.022 1.00 0.00 C ATOM 194 C TYR A 14 10.316 14.042 -10.525 1.00 0.00 C ATOM 195 O TYR A 14 9.403 14.278 -11.289 1.00 0.00 O ATOM 196 CB TYR A 14 10.948 11.727 -11.187 1.00 0.00 C ATOM 197 CG TYR A 14 11.898 12.350 -12.196 1.00 0.00 C ATOM 198 CD1 TYR A 14 13.247 12.523 -11.925 1.00 0.00 C ATOM 199 CD2 TYR A 14 11.418 12.779 -13.432 1.00 0.00 C ATOM 200 CE1 TYR A 14 14.085 13.110 -12.854 1.00 0.00 C ATOM 201 CE2 TYR A 14 12.246 13.357 -14.359 1.00 0.00 C ATOM 202 CZ TYR A 14 13.574 13.524 -14.071 1.00 0.00 C ATOM 203 OH TYR A 14 14.398 14.119 -14.999 1.00 0.00 O ATOM 0 H TYR A 14 8.777 11.569 -10.093 1.00 0.00 H new ATOM 0 HA TYR A 14 11.306 12.655 -9.264 1.00 0.00 H new ATOM 0 HB2 TYR A 14 11.420 10.838 -10.768 1.00 0.00 H new ATOM 0 HB3 TYR A 14 10.052 11.395 -11.712 1.00 0.00 H new ATOM 0 HD1 TYR A 14 13.647 12.195 -10.977 1.00 0.00 H new ATOM 0 HD2 TYR A 14 10.371 12.653 -13.665 1.00 0.00 H new ATOM 0 HE1 TYR A 14 15.133 13.245 -12.631 1.00 0.00 H new ATOM 0 HE2 TYR A 14 11.853 13.679 -15.312 1.00 0.00 H new ATOM 0 HH TYR A 14 15.174 14.509 -14.545 1.00 0.00 H new ATOM 213 N ILE A 15 11.125 14.938 -10.085 1.00 0.00 N ATOM 214 CA ILE A 15 11.084 16.282 -10.557 1.00 0.00 C ATOM 215 C ILE A 15 12.393 16.530 -11.276 1.00 0.00 C ATOM 216 O ILE A 15 13.463 16.402 -10.688 1.00 0.00 O ATOM 217 CB ILE A 15 10.942 17.294 -9.400 1.00 0.00 C ATOM 218 CG1 ILE A 15 9.779 16.901 -8.474 1.00 0.00 C ATOM 219 CG2 ILE A 15 10.709 18.692 -9.976 1.00 0.00 C ATOM 220 CD1 ILE A 15 9.674 17.752 -7.228 1.00 0.00 C ATOM 0 H ILE A 15 11.842 14.761 -9.381 1.00 0.00 H new ATOM 0 HA ILE A 15 10.221 16.415 -11.209 1.00 0.00 H new ATOM 0 HB ILE A 15 11.859 17.291 -8.812 1.00 0.00 H new ATOM 0 HG12 ILE A 15 8.844 16.972 -9.030 1.00 0.00 H new ATOM 0 HG13 ILE A 15 9.897 15.858 -8.181 1.00 0.00 H new ATOM 0 HG21 ILE A 15 10.608 19.409 -9.161 1.00 0.00 H new ATOM 0 HG22 ILE A 15 11.555 18.972 -10.604 1.00 0.00 H new ATOM 0 HG23 ILE A 15 9.798 18.692 -10.574 1.00 0.00 H new ATOM 0 HD11 ILE A 15 8.830 17.414 -6.626 1.00 0.00 H new ATOM 0 HD12 ILE A 15 10.592 17.663 -6.648 1.00 0.00 H new ATOM 0 HD13 ILE A 15 9.523 18.794 -7.511 1.00 0.00 H new ATOM 232 N GLY A 16 12.321 16.830 -12.522 1.00 0.00 N ATOM 233 CA GLY A 16 13.503 17.042 -13.282 1.00 0.00 C ATOM 234 C GLY A 16 13.446 18.317 -14.046 1.00 0.00 C ATOM 235 O GLY A 16 12.375 18.939 -14.144 1.00 0.00 O ATOM 0 H GLY A 16 11.450 16.935 -13.042 1.00 0.00 H new ATOM 0 HA2 GLY A 16 14.366 17.055 -12.616 1.00 0.00 H new ATOM 0 HA3 GLY A 16 13.646 16.211 -13.972 1.00 0.00 H new ATOM 239 N ASN A 17 14.595 18.709 -14.568 1.00 0.00 N ATOM 240 CA ASN A 17 14.769 19.916 -15.380 1.00 0.00 C ATOM 241 C ASN A 17 14.547 21.159 -14.520 1.00 0.00 C ATOM 242 O ASN A 17 13.870 22.111 -14.908 1.00 0.00 O ATOM 243 CB ASN A 17 13.843 19.912 -16.619 1.00 0.00 C ATOM 244 CG ASN A 17 14.231 20.956 -17.659 1.00 0.00 C ATOM 245 OD1 ASN A 17 15.407 21.289 -17.824 1.00 0.00 O ATOM 246 ND2 ASN A 17 13.265 21.498 -18.337 1.00 0.00 N ATOM 0 H ASN A 17 15.461 18.186 -14.439 1.00 0.00 H new ATOM 0 HA ASN A 17 15.792 19.931 -15.755 1.00 0.00 H new ATOM 0 HB2 ASN A 17 13.866 18.924 -17.079 1.00 0.00 H new ATOM 0 HB3 ASN A 17 12.817 20.091 -16.299 1.00 0.00 H new ATOM 0 HD21 ASN A 17 13.469 22.220 -19.028 1.00 0.00 H new ATOM 0 HD22 ASN A 17 12.302 21.202 -18.178 1.00 0.00 H new ATOM 253 N LEU A 18 15.122 21.134 -13.343 1.00 0.00 N ATOM 254 CA LEU A 18 15.074 22.261 -12.449 1.00 0.00 C ATOM 255 C LEU A 18 16.265 23.141 -12.709 1.00 0.00 C ATOM 256 O LEU A 18 17.320 22.662 -13.143 1.00 0.00 O ATOM 257 CB LEU A 18 15.084 21.806 -10.981 1.00 0.00 C ATOM 258 CG LEU A 18 13.841 21.070 -10.475 1.00 0.00 C ATOM 259 CD1 LEU A 18 14.056 20.596 -9.055 1.00 0.00 C ATOM 260 CD2 LEU A 18 12.620 21.971 -10.543 1.00 0.00 C ATOM 0 H LEU A 18 15.636 20.332 -12.979 1.00 0.00 H new ATOM 0 HA LEU A 18 14.149 22.810 -12.628 1.00 0.00 H new ATOM 0 HB2 LEU A 18 15.947 21.156 -10.833 1.00 0.00 H new ATOM 0 HB3 LEU A 18 15.236 22.685 -10.355 1.00 0.00 H new ATOM 0 HG LEU A 18 13.670 20.205 -11.116 1.00 0.00 H new ATOM 0 HD11 LEU A 18 13.165 20.074 -8.707 1.00 0.00 H new ATOM 0 HD12 LEU A 18 14.909 19.918 -9.023 1.00 0.00 H new ATOM 0 HD13 LEU A 18 14.249 21.454 -8.411 1.00 0.00 H new ATOM 0 HD21 LEU A 18 11.747 21.429 -10.179 1.00 0.00 H new ATOM 0 HD22 LEU A 18 12.784 22.853 -9.924 1.00 0.00 H new ATOM 0 HD23 LEU A 18 12.452 22.278 -11.575 1.00 0.00 H new ATOM 272 N ASN A 19 16.092 24.414 -12.491 1.00 0.00 N ATOM 273 CA ASN A 19 17.172 25.365 -12.624 1.00 0.00 C ATOM 274 C ASN A 19 18.124 25.190 -11.448 1.00 0.00 C ATOM 275 O ASN A 19 17.721 24.698 -10.387 1.00 0.00 O ATOM 276 CB ASN A 19 16.633 26.791 -12.668 1.00 0.00 C ATOM 277 CG ASN A 19 16.918 27.510 -13.980 1.00 0.00 C ATOM 278 OD1 ASN A 19 16.950 26.909 -15.028 1.00 0.00 O ATOM 279 ND2 ASN A 19 17.181 28.783 -13.913 1.00 0.00 N ATOM 0 H ASN A 19 15.201 24.827 -12.216 1.00 0.00 H new ATOM 0 HA ASN A 19 17.704 25.184 -13.558 1.00 0.00 H new ATOM 0 HB2 ASN A 19 15.556 26.769 -12.502 1.00 0.00 H new ATOM 0 HB3 ASN A 19 17.070 27.361 -11.848 1.00 0.00 H new ATOM 0 HD21 ASN A 19 17.422 29.299 -14.759 1.00 0.00 H new ATOM 0 HD22 ASN A 19 17.146 29.264 -13.014 1.00 0.00 H new ATOM 286 N ARG A 20 19.349 25.620 -11.614 1.00 0.00 N ATOM 287 CA ARG A 20 20.410 25.367 -10.642 1.00 0.00 C ATOM 288 C ARG A 20 20.173 26.113 -9.307 1.00 0.00 C ATOM 289 O ARG A 20 20.620 25.668 -8.248 1.00 0.00 O ATOM 290 CB ARG A 20 21.762 25.763 -11.245 1.00 0.00 C ATOM 291 CG ARG A 20 22.979 25.211 -10.514 1.00 0.00 C ATOM 292 CD ARG A 20 23.123 23.711 -10.731 1.00 0.00 C ATOM 293 NE ARG A 20 23.272 23.380 -12.158 1.00 0.00 N ATOM 294 CZ ARG A 20 23.322 22.142 -12.676 1.00 0.00 C ATOM 295 NH1 ARG A 20 23.364 21.069 -11.878 1.00 0.00 N1+ ATOM 296 NH2 ARG A 20 23.367 21.988 -13.992 1.00 0.00 N ATOM 0 H ARG A 20 19.651 26.158 -12.426 1.00 0.00 H new ATOM 0 HA ARG A 20 20.407 24.301 -10.413 1.00 0.00 H new ATOM 0 HB2 ARG A 20 21.794 25.424 -12.281 1.00 0.00 H new ATOM 0 HB3 ARG A 20 21.830 26.851 -11.263 1.00 0.00 H new ATOM 0 HG2 ARG A 20 23.877 25.719 -10.865 1.00 0.00 H new ATOM 0 HG3 ARG A 20 22.891 25.419 -9.448 1.00 0.00 H new ATOM 0 HD2 ARG A 20 23.989 23.345 -10.180 1.00 0.00 H new ATOM 0 HD3 ARG A 20 22.249 23.199 -10.328 1.00 0.00 H new ATOM 0 HE ARG A 20 23.344 24.160 -12.811 1.00 0.00 H new ATOM 0 HH11 ARG A 20 23.358 21.186 -10.865 1.00 0.00 H new ATOM 0 HH12 ARG A 20 23.402 20.134 -12.283 1.00 0.00 H new ATOM 0 HH21 ARG A 20 23.363 22.806 -14.602 1.00 0.00 H new ATOM 0 HH22 ARG A 20 23.405 21.052 -14.395 1.00 0.00 H new ATOM 310 N GLU A 21 19.469 27.230 -9.360 1.00 0.00 N ATOM 311 CA GLU A 21 19.188 28.021 -8.164 1.00 0.00 C ATOM 312 C GLU A 21 17.939 27.551 -7.403 1.00 0.00 C ATOM 313 O GLU A 21 17.633 28.071 -6.317 1.00 0.00 O ATOM 314 CB GLU A 21 19.128 29.555 -8.443 1.00 0.00 C ATOM 315 CG GLU A 21 18.288 30.003 -9.618 1.00 0.00 C ATOM 316 CD GLU A 21 18.959 29.760 -10.945 1.00 0.00 C ATOM 317 OE1 GLU A 21 19.705 30.640 -11.414 1.00 0.00 O ATOM 318 OE2 GLU A 21 18.781 28.680 -11.517 1.00 0.00 O1- ATOM 0 H GLU A 21 19.078 27.615 -10.220 1.00 0.00 H new ATOM 0 HA GLU A 21 20.044 27.845 -7.512 1.00 0.00 H new ATOM 0 HB2 GLU A 21 18.750 30.048 -7.548 1.00 0.00 H new ATOM 0 HB3 GLU A 21 20.146 29.912 -8.598 1.00 0.00 H new ATOM 0 HG2 GLU A 21 17.334 29.477 -9.597 1.00 0.00 H new ATOM 0 HG3 GLU A 21 18.068 31.066 -9.517 1.00 0.00 H new ATOM 325 N LEU A 22 17.231 26.582 -7.952 1.00 0.00 N ATOM 326 CA LEU A 22 16.035 26.043 -7.313 1.00 0.00 C ATOM 327 C LEU A 22 16.390 25.094 -6.164 1.00 0.00 C ATOM 328 O LEU A 22 17.125 24.118 -6.332 1.00 0.00 O ATOM 329 CB LEU A 22 15.108 25.376 -8.339 1.00 0.00 C ATOM 330 CG LEU A 22 14.623 26.298 -9.466 1.00 0.00 C ATOM 331 CD1 LEU A 22 13.675 25.605 -10.409 1.00 0.00 C ATOM 332 CD2 LEU A 22 13.973 27.527 -8.906 1.00 0.00 C ATOM 0 H LEU A 22 17.462 26.147 -8.845 1.00 0.00 H new ATOM 0 HA LEU A 22 15.488 26.879 -6.878 1.00 0.00 H new ATOM 0 HB2 LEU A 22 15.631 24.528 -8.782 1.00 0.00 H new ATOM 0 HB3 LEU A 22 14.239 24.977 -7.816 1.00 0.00 H new ATOM 0 HG LEU A 22 15.507 26.583 -10.036 1.00 0.00 H new ATOM 0 HD11 LEU A 22 13.362 26.301 -11.187 1.00 0.00 H new ATOM 0 HD12 LEU A 22 14.175 24.751 -10.866 1.00 0.00 H new ATOM 0 HD13 LEU A 22 12.800 25.260 -9.857 1.00 0.00 H new ATOM 0 HD21 LEU A 22 13.637 28.165 -9.723 1.00 0.00 H new ATOM 0 HD22 LEU A 22 13.117 27.240 -8.295 1.00 0.00 H new ATOM 0 HD23 LEU A 22 14.691 28.071 -8.292 1.00 0.00 H new ATOM 344 N THR A 23 15.900 25.438 -5.010 1.00 0.00 N ATOM 345 CA THR A 23 16.131 24.720 -3.771 1.00 0.00 C ATOM 346 C THR A 23 14.828 24.036 -3.294 1.00 0.00 C ATOM 347 O THR A 23 13.765 24.262 -3.875 1.00 0.00 O ATOM 348 CB THR A 23 16.702 25.715 -2.699 1.00 0.00 C ATOM 349 OG1 THR A 23 16.650 25.196 -1.367 1.00 0.00 O ATOM 350 CG2 THR A 23 15.956 27.007 -2.738 1.00 0.00 C ATOM 0 H THR A 23 15.304 26.257 -4.891 1.00 0.00 H new ATOM 0 HA THR A 23 16.865 23.930 -3.929 1.00 0.00 H new ATOM 0 HB THR A 23 17.750 25.867 -2.958 1.00 0.00 H new ATOM 0 HG1 THR A 23 17.134 24.344 -1.329 1.00 0.00 H new ATOM 0 HG21 THR A 23 16.364 27.686 -1.989 1.00 0.00 H new ATOM 0 HG22 THR A 23 16.056 27.455 -3.727 1.00 0.00 H new ATOM 0 HG23 THR A 23 14.902 26.825 -2.527 1.00 0.00 H new ATOM 358 N GLU A 24 14.915 23.255 -2.210 1.00 0.00 N ATOM 359 CA GLU A 24 13.803 22.493 -1.659 1.00 0.00 C ATOM 360 C GLU A 24 12.625 23.404 -1.316 1.00 0.00 C ATOM 361 O GLU A 24 11.472 23.082 -1.588 1.00 0.00 O ATOM 362 CB GLU A 24 14.228 21.755 -0.377 1.00 0.00 C ATOM 363 CG GLU A 24 15.452 20.847 -0.505 1.00 0.00 C ATOM 364 CD GLU A 24 16.792 21.565 -0.336 1.00 0.00 C ATOM 365 OE1 GLU A 24 16.819 22.822 -0.224 1.00 0.00 O1- ATOM 366 OE2 GLU A 24 17.836 20.886 -0.292 1.00 0.00 O ATOM 0 H GLU A 24 15.782 23.137 -1.685 1.00 0.00 H new ATOM 0 HA GLU A 24 13.501 21.775 -2.421 1.00 0.00 H new ATOM 0 HB2 GLU A 24 14.429 22.496 0.397 1.00 0.00 H new ATOM 0 HB3 GLU A 24 13.387 21.153 -0.031 1.00 0.00 H new ATOM 0 HG2 GLU A 24 15.381 20.055 0.241 1.00 0.00 H new ATOM 0 HG3 GLU A 24 15.432 20.366 -1.483 1.00 0.00 H new ATOM 373 N GLY A 25 12.938 24.560 -0.752 1.00 0.00 N ATOM 374 CA GLY A 25 11.914 25.497 -0.322 1.00 0.00 C ATOM 375 C GLY A 25 11.190 26.136 -1.479 1.00 0.00 C ATOM 376 O GLY A 25 10.033 26.526 -1.358 1.00 0.00 O ATOM 0 H GLY A 25 13.894 24.871 -0.582 1.00 0.00 H new ATOM 0 HA2 GLY A 25 11.194 24.977 0.310 1.00 0.00 H new ATOM 0 HA3 GLY A 25 12.372 26.275 0.289 1.00 0.00 H new ATOM 380 N ASP A 26 11.860 26.213 -2.599 1.00 0.00 N ATOM 381 CA ASP A 26 11.319 26.793 -3.793 1.00 0.00 C ATOM 382 C ASP A 26 10.299 25.837 -4.363 1.00 0.00 C ATOM 383 O ASP A 26 9.151 26.204 -4.657 1.00 0.00 O ATOM 384 CB ASP A 26 12.447 27.009 -4.776 1.00 0.00 C ATOM 385 CG ASP A 26 11.981 27.671 -5.999 1.00 0.00 C ATOM 386 OD1 ASP A 26 11.934 28.917 -6.002 1.00 0.00 O1- ATOM 387 OD2 ASP A 26 11.681 26.982 -6.955 1.00 0.00 O ATOM 0 H ASP A 26 12.814 25.867 -2.705 1.00 0.00 H new ATOM 0 HA ASP A 26 10.840 27.750 -3.585 1.00 0.00 H new ATOM 0 HB2 ASP A 26 13.226 27.612 -4.310 1.00 0.00 H new ATOM 0 HB3 ASP A 26 12.897 26.049 -5.030 1.00 0.00 H new ATOM 392 N ILE A 27 10.706 24.587 -4.413 1.00 0.00 N ATOM 393 CA ILE A 27 9.871 23.484 -4.844 1.00 0.00 C ATOM 394 C ILE A 27 8.624 23.413 -3.945 1.00 0.00 C ATOM 395 O ILE A 27 7.502 23.223 -4.423 1.00 0.00 O ATOM 396 CB ILE A 27 10.680 22.168 -4.764 1.00 0.00 C ATOM 397 CG1 ILE A 27 11.926 22.284 -5.650 1.00 0.00 C ATOM 398 CG2 ILE A 27 9.833 20.976 -5.194 1.00 0.00 C ATOM 399 CD1 ILE A 27 12.967 21.232 -5.394 1.00 0.00 C ATOM 0 H ILE A 27 11.649 24.302 -4.149 1.00 0.00 H new ATOM 0 HA ILE A 27 9.552 23.634 -5.875 1.00 0.00 H new ATOM 0 HB ILE A 27 10.982 22.004 -3.730 1.00 0.00 H new ATOM 0 HG12 ILE A 27 11.621 22.230 -6.695 1.00 0.00 H new ATOM 0 HG13 ILE A 27 12.374 23.266 -5.500 1.00 0.00 H new ATOM 0 HG21 ILE A 27 10.427 20.065 -5.128 1.00 0.00 H new ATOM 0 HG22 ILE A 27 8.965 20.892 -4.540 1.00 0.00 H new ATOM 0 HG23 ILE A 27 9.500 21.118 -6.222 1.00 0.00 H new ATOM 0 HD11 ILE A 27 13.814 21.388 -6.063 1.00 0.00 H new ATOM 0 HD12 ILE A 27 13.305 21.298 -4.360 1.00 0.00 H new ATOM 0 HD13 ILE A 27 12.539 20.246 -5.574 1.00 0.00 H new ATOM 411 N LEU A 28 8.827 23.617 -2.644 1.00 0.00 N ATOM 412 CA LEU A 28 7.726 23.670 -1.688 1.00 0.00 C ATOM 413 C LEU A 28 6.781 24.808 -2.002 1.00 0.00 C ATOM 414 O LEU A 28 5.576 24.638 -1.938 1.00 0.00 O ATOM 415 CB LEU A 28 8.227 23.800 -0.254 1.00 0.00 C ATOM 416 CG LEU A 28 8.934 22.586 0.322 1.00 0.00 C ATOM 417 CD1 LEU A 28 9.434 22.889 1.713 1.00 0.00 C ATOM 418 CD2 LEU A 28 7.989 21.399 0.355 1.00 0.00 C ATOM 0 H LEU A 28 9.749 23.749 -2.228 1.00 0.00 H new ATOM 0 HA LEU A 28 7.187 22.727 -1.779 1.00 0.00 H new ATOM 0 HB2 LEU A 28 8.909 24.649 -0.205 1.00 0.00 H new ATOM 0 HB3 LEU A 28 7.377 24.037 0.386 1.00 0.00 H new ATOM 0 HG LEU A 28 9.785 22.341 -0.313 1.00 0.00 H new ATOM 0 HD11 LEU A 28 9.939 22.012 2.117 1.00 0.00 H new ATOM 0 HD12 LEU A 28 10.133 23.725 1.674 1.00 0.00 H new ATOM 0 HD13 LEU A 28 8.592 23.150 2.354 1.00 0.00 H new ATOM 0 HD21 LEU A 28 8.506 20.534 0.770 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.126 21.638 0.976 1.00 0.00 H new ATOM 0 HD23 LEU A 28 7.655 21.171 -0.657 1.00 0.00 H new ATOM 430 N THR A 29 7.331 25.945 -2.367 1.00 0.00 N ATOM 431 CA THR A 29 6.545 27.118 -2.718 1.00 0.00 C ATOM 432 C THR A 29 5.615 26.801 -3.908 1.00 0.00 C ATOM 433 O THR A 29 4.488 27.322 -4.006 1.00 0.00 O ATOM 434 CB THR A 29 7.479 28.309 -3.077 1.00 0.00 C ATOM 435 OG1 THR A 29 8.383 28.545 -1.995 1.00 0.00 O ATOM 436 CG2 THR A 29 6.684 29.586 -3.335 1.00 0.00 C ATOM 0 H THR A 29 8.339 26.087 -2.430 1.00 0.00 H new ATOM 0 HA THR A 29 5.936 27.396 -1.858 1.00 0.00 H new ATOM 0 HB THR A 29 8.022 28.047 -3.985 1.00 0.00 H new ATOM 0 HG1 THR A 29 9.119 27.899 -2.037 1.00 0.00 H new ATOM 0 HG21 THR A 29 7.369 30.397 -3.583 1.00 0.00 H new ATOM 0 HG22 THR A 29 5.996 29.425 -4.165 1.00 0.00 H new ATOM 0 HG23 THR A 29 6.118 29.849 -2.441 1.00 0.00 H new ATOM 444 N VAL A 30 6.079 25.960 -4.803 1.00 0.00 N ATOM 445 CA VAL A 30 5.284 25.558 -5.943 1.00 0.00 C ATOM 446 C VAL A 30 4.273 24.467 -5.541 1.00 0.00 C ATOM 447 O VAL A 30 3.061 24.646 -5.685 1.00 0.00 O ATOM 448 CB VAL A 30 6.172 25.048 -7.112 1.00 0.00 C ATOM 449 CG1 VAL A 30 5.334 24.729 -8.339 1.00 0.00 C ATOM 450 CG2 VAL A 30 7.238 26.066 -7.462 1.00 0.00 C ATOM 0 H VAL A 30 7.007 25.539 -4.764 1.00 0.00 H new ATOM 0 HA VAL A 30 4.744 26.440 -6.288 1.00 0.00 H new ATOM 0 HB VAL A 30 6.658 24.131 -6.780 1.00 0.00 H new ATOM 0 HG11 VAL A 30 5.982 24.375 -9.140 1.00 0.00 H new ATOM 0 HG12 VAL A 30 4.607 23.956 -8.092 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.811 25.628 -8.666 1.00 0.00 H new ATOM 0 HG21 VAL A 30 7.847 25.687 -8.283 1.00 0.00 H new ATOM 0 HG22 VAL A 30 6.764 27.000 -7.763 1.00 0.00 H new ATOM 0 HG23 VAL A 30 7.871 26.244 -6.592 1.00 0.00 H new ATOM 460 N PHE A 31 4.782 23.392 -4.971 1.00 0.00 N ATOM 461 CA PHE A 31 3.996 22.195 -4.649 1.00 0.00 C ATOM 462 C PHE A 31 3.023 22.351 -3.474 1.00 0.00 C ATOM 463 O PHE A 31 2.148 21.510 -3.293 1.00 0.00 O ATOM 464 CB PHE A 31 4.913 20.971 -4.439 1.00 0.00 C ATOM 465 CG PHE A 31 5.498 20.395 -5.712 1.00 0.00 C ATOM 466 CD1 PHE A 31 6.398 21.118 -6.478 1.00 0.00 C ATOM 467 CD2 PHE A 31 5.148 19.120 -6.134 1.00 0.00 C ATOM 468 CE1 PHE A 31 6.932 20.592 -7.637 1.00 0.00 C ATOM 469 CE2 PHE A 31 5.682 18.587 -7.294 1.00 0.00 C ATOM 470 CZ PHE A 31 6.572 19.325 -8.046 1.00 0.00 C ATOM 0 H PHE A 31 5.765 23.315 -4.711 1.00 0.00 H new ATOM 0 HA PHE A 31 3.363 22.036 -5.522 1.00 0.00 H new ATOM 0 HB2 PHE A 31 5.730 21.255 -3.776 1.00 0.00 H new ATOM 0 HB3 PHE A 31 4.346 20.192 -3.930 1.00 0.00 H new ATOM 0 HD1 PHE A 31 6.687 22.110 -6.163 1.00 0.00 H new ATOM 0 HD2 PHE A 31 4.451 18.537 -5.550 1.00 0.00 H new ATOM 0 HE1 PHE A 31 7.630 21.171 -8.222 1.00 0.00 H new ATOM 0 HE2 PHE A 31 5.402 17.593 -7.610 1.00 0.00 H new ATOM 0 HZ PHE A 31 6.986 18.911 -8.954 1.00 0.00 H new ATOM 480 N SER A 32 3.143 23.403 -2.689 1.00 0.00 N ATOM 481 CA SER A 32 2.218 23.589 -1.567 1.00 0.00 C ATOM 482 C SER A 32 0.801 23.967 -2.014 1.00 0.00 C ATOM 483 O SER A 32 -0.105 23.969 -1.214 1.00 0.00 O ATOM 484 CB SER A 32 2.738 24.592 -0.539 1.00 0.00 C ATOM 485 OG SER A 32 3.933 24.134 0.072 1.00 0.00 O ATOM 0 H SER A 32 3.850 24.131 -2.794 1.00 0.00 H new ATOM 0 HA SER A 32 2.159 22.613 -1.085 1.00 0.00 H new ATOM 0 HB2 SER A 32 2.920 25.551 -1.024 1.00 0.00 H new ATOM 0 HB3 SER A 32 1.978 24.760 0.224 1.00 0.00 H new ATOM 0 HG SER A 32 4.702 24.402 -0.472 1.00 0.00 H new ATOM 491 N GLU A 33 0.610 24.271 -3.280 1.00 0.00 N ATOM 492 CA GLU A 33 -0.718 24.642 -3.764 1.00 0.00 C ATOM 493 C GLU A 33 -1.532 23.358 -4.021 1.00 0.00 C ATOM 494 O GLU A 33 -2.744 23.369 -4.082 1.00 0.00 O ATOM 495 CB GLU A 33 -0.563 25.511 -5.029 1.00 0.00 C ATOM 496 CG GLU A 33 -1.754 26.420 -5.403 1.00 0.00 C ATOM 497 CD GLU A 33 -2.943 25.731 -6.044 1.00 0.00 C ATOM 498 OE1 GLU A 33 -2.798 25.186 -7.160 1.00 0.00 O ATOM 499 OE2 GLU A 33 -4.063 25.841 -5.527 1.00 0.00 O1- ATOM 0 H GLU A 33 1.342 24.271 -3.991 1.00 0.00 H new ATOM 0 HA GLU A 33 -1.260 25.232 -3.025 1.00 0.00 H new ATOM 0 HB2 GLU A 33 0.318 26.141 -4.902 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -0.363 24.850 -5.872 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -2.096 26.926 -4.500 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -1.396 27.192 -6.085 1.00 0.00 H new ATOM 506 N TYR A 34 -0.833 22.242 -4.087 1.00 0.00 N ATOM 507 CA TYR A 34 -1.454 20.963 -4.376 1.00 0.00 C ATOM 508 C TYR A 34 -1.477 20.084 -3.143 1.00 0.00 C ATOM 509 O TYR A 34 -1.676 18.866 -3.222 1.00 0.00 O ATOM 510 CB TYR A 34 -0.735 20.281 -5.546 1.00 0.00 C ATOM 511 CG TYR A 34 -0.845 21.077 -6.825 1.00 0.00 C ATOM 512 CD1 TYR A 34 0.061 22.085 -7.122 1.00 0.00 C ATOM 513 CD2 TYR A 34 -1.881 20.849 -7.712 1.00 0.00 C ATOM 514 CE1 TYR A 34 -0.066 22.839 -8.263 1.00 0.00 C ATOM 515 CE2 TYR A 34 -2.009 21.593 -8.862 1.00 0.00 C ATOM 516 CZ TYR A 34 -1.102 22.589 -9.134 1.00 0.00 C ATOM 517 OH TYR A 34 -1.241 23.345 -10.275 1.00 0.00 O ATOM 0 H TYR A 34 0.176 22.195 -3.943 1.00 0.00 H new ATOM 0 HA TYR A 34 -2.490 21.132 -4.670 1.00 0.00 H new ATOM 0 HB2 TYR A 34 0.317 20.145 -5.294 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -1.157 19.288 -5.701 1.00 0.00 H new ATOM 0 HD1 TYR A 34 0.879 22.280 -6.445 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -2.602 20.074 -7.498 1.00 0.00 H new ATOM 0 HE1 TYR A 34 0.644 23.625 -8.476 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -2.819 21.395 -9.548 1.00 0.00 H new ATOM 0 HH TYR A 34 -2.023 23.036 -10.779 1.00 0.00 H new ATOM 527 N GLY A 35 -1.302 20.707 -2.001 1.00 0.00 N ATOM 528 CA GLY A 35 -1.354 20.005 -0.757 1.00 0.00 C ATOM 529 C GLY A 35 -0.149 20.282 0.085 1.00 0.00 C ATOM 530 O GLY A 35 0.560 21.261 -0.141 1.00 0.00 O ATOM 0 H GLY A 35 -1.121 21.707 -1.917 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -2.253 20.295 -0.213 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -1.427 18.934 -0.946 1.00 0.00 H new ATOM 534 N VAL A 36 0.090 19.435 1.046 1.00 0.00 N ATOM 535 CA VAL A 36 1.225 19.580 1.918 1.00 0.00 C ATOM 536 C VAL A 36 2.217 18.462 1.625 1.00 0.00 C ATOM 537 O VAL A 36 1.905 17.274 1.836 1.00 0.00 O ATOM 538 CB VAL A 36 0.817 19.531 3.423 1.00 0.00 C ATOM 539 CG1 VAL A 36 2.026 19.769 4.325 1.00 0.00 C ATOM 540 CG2 VAL A 36 -0.278 20.549 3.728 1.00 0.00 C ATOM 0 H VAL A 36 -0.495 18.624 1.248 1.00 0.00 H new ATOM 0 HA VAL A 36 1.674 20.555 1.731 1.00 0.00 H new ATOM 0 HB VAL A 36 0.425 18.534 3.626 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.715 19.730 5.369 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.775 18.999 4.141 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.453 20.749 4.110 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.543 20.493 4.784 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.083 21.551 3.497 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -1.157 20.331 3.121 1.00 0.00 H new ATOM 550 N PRO A 37 3.372 18.804 1.038 1.00 0.00 N ATOM 551 CA PRO A 37 4.443 17.843 0.783 1.00 0.00 C ATOM 552 C PRO A 37 4.985 17.258 2.084 1.00 0.00 C ATOM 553 O PRO A 37 5.064 17.943 3.101 1.00 0.00 O ATOM 554 CB PRO A 37 5.522 18.684 0.089 1.00 0.00 C ATOM 555 CG PRO A 37 4.789 19.853 -0.458 1.00 0.00 C ATOM 556 CD PRO A 37 3.721 20.148 0.545 1.00 0.00 C ATOM 0 HA PRO A 37 4.106 16.993 0.189 1.00 0.00 H new ATOM 0 HB2 PRO A 37 6.296 18.994 0.791 1.00 0.00 H new ATOM 0 HB3 PRO A 37 6.017 18.120 -0.702 1.00 0.00 H new ATOM 0 HG2 PRO A 37 5.453 20.708 -0.590 1.00 0.00 H new ATOM 0 HG3 PRO A 37 4.361 19.628 -1.435 1.00 0.00 H new ATOM 0 HD2 PRO A 37 4.082 20.793 1.346 1.00 0.00 H new ATOM 0 HD3 PRO A 37 2.866 20.650 0.092 1.00 0.00 H new ATOM 564 N VAL A 38 5.334 16.002 2.039 1.00 0.00 N ATOM 565 CA VAL A 38 5.835 15.284 3.202 1.00 0.00 C ATOM 566 C VAL A 38 7.334 15.108 3.080 1.00 0.00 C ATOM 567 O VAL A 38 8.094 15.306 4.030 1.00 0.00 O ATOM 568 CB VAL A 38 5.164 13.894 3.267 1.00 0.00 C ATOM 569 CG1 VAL A 38 5.651 13.069 4.424 1.00 0.00 C ATOM 570 CG2 VAL A 38 3.689 14.050 3.362 1.00 0.00 C ATOM 0 H VAL A 38 5.282 15.434 1.193 1.00 0.00 H new ATOM 0 HA VAL A 38 5.607 15.848 4.106 1.00 0.00 H new ATOM 0 HB VAL A 38 5.434 13.368 2.352 1.00 0.00 H new ATOM 0 HG11 VAL A 38 5.146 12.103 4.420 1.00 0.00 H new ATOM 0 HG12 VAL A 38 6.727 12.916 4.335 1.00 0.00 H new ATOM 0 HG13 VAL A 38 5.434 13.588 5.358 1.00 0.00 H new ATOM 0 HG21 VAL A 38 3.221 13.066 3.407 1.00 0.00 H new ATOM 0 HG22 VAL A 38 3.440 14.612 4.262 1.00 0.00 H new ATOM 0 HG23 VAL A 38 3.323 14.586 2.486 1.00 0.00 H new ATOM 580 N ASP A 39 7.735 14.767 1.903 1.00 0.00 N ATOM 581 CA ASP A 39 9.108 14.515 1.578 1.00 0.00 C ATOM 582 C ASP A 39 9.465 15.327 0.375 1.00 0.00 C ATOM 583 O ASP A 39 8.786 15.235 -0.648 1.00 0.00 O ATOM 584 CB ASP A 39 9.294 13.037 1.224 1.00 0.00 C ATOM 585 CG ASP A 39 9.453 12.066 2.377 1.00 0.00 C ATOM 586 OD1 ASP A 39 8.463 11.716 3.046 1.00 0.00 O ATOM 587 OD2 ASP A 39 10.574 11.563 2.587 1.00 0.00 O1- ATOM 0 H ASP A 39 7.101 14.651 1.112 1.00 0.00 H new ATOM 0 HA ASP A 39 9.737 14.774 2.430 1.00 0.00 H new ATOM 0 HB2 ASP A 39 8.436 12.721 0.631 1.00 0.00 H new ATOM 0 HB3 ASP A 39 10.173 12.950 0.585 1.00 0.00 H new ATOM 592 N VAL A 40 10.464 16.148 0.494 1.00 0.00 N ATOM 593 CA VAL A 40 10.978 16.884 -0.629 1.00 0.00 C ATOM 594 C VAL A 40 12.493 16.860 -0.574 1.00 0.00 C ATOM 595 O VAL A 40 13.109 17.344 0.364 1.00 0.00 O ATOM 596 CB VAL A 40 10.427 18.354 -0.737 1.00 0.00 C ATOM 597 CG1 VAL A 40 10.796 19.206 0.468 1.00 0.00 C ATOM 598 CG2 VAL A 40 10.905 19.014 -2.024 1.00 0.00 C ATOM 0 H VAL A 40 10.949 16.329 1.373 1.00 0.00 H new ATOM 0 HA VAL A 40 10.625 16.392 -1.535 1.00 0.00 H new ATOM 0 HB VAL A 40 9.339 18.283 -0.756 1.00 0.00 H new ATOM 0 HG11 VAL A 40 10.391 20.210 0.341 1.00 0.00 H new ATOM 0 HG12 VAL A 40 10.381 18.758 1.371 1.00 0.00 H new ATOM 0 HG13 VAL A 40 11.881 19.261 0.556 1.00 0.00 H new ATOM 0 HG21 VAL A 40 10.513 20.030 -2.079 1.00 0.00 H new ATOM 0 HG22 VAL A 40 11.995 19.044 -2.034 1.00 0.00 H new ATOM 0 HG23 VAL A 40 10.550 18.441 -2.880 1.00 0.00 H new ATOM 608 N ILE A 41 13.077 16.241 -1.528 1.00 0.00 N ATOM 609 CA ILE A 41 14.500 16.134 -1.559 1.00 0.00 C ATOM 610 C ILE A 41 15.042 16.615 -2.862 1.00 0.00 C ATOM 611 O ILE A 41 14.672 16.116 -3.930 1.00 0.00 O ATOM 612 CB ILE A 41 15.067 14.712 -1.205 1.00 0.00 C ATOM 613 CG1 ILE A 41 14.433 13.552 -2.024 1.00 0.00 C ATOM 614 CG2 ILE A 41 14.955 14.437 0.280 1.00 0.00 C ATOM 615 CD1 ILE A 41 13.018 13.158 -1.609 1.00 0.00 C ATOM 0 H ILE A 41 12.595 15.794 -2.308 1.00 0.00 H new ATOM 0 HA ILE A 41 14.849 16.784 -0.756 1.00 0.00 H new ATOM 0 HB ILE A 41 16.119 14.740 -1.490 1.00 0.00 H new ATOM 0 HG12 ILE A 41 14.419 13.837 -3.076 1.00 0.00 H new ATOM 0 HG13 ILE A 41 15.076 12.676 -1.940 1.00 0.00 H new ATOM 0 HG21 ILE A 41 15.354 13.446 0.498 1.00 0.00 H new ATOM 0 HG22 ILE A 41 15.522 15.186 0.833 1.00 0.00 H new ATOM 0 HG23 ILE A 41 13.908 14.480 0.580 1.00 0.00 H new ATOM 0 HD11 ILE A 41 12.668 12.342 -2.241 1.00 0.00 H new ATOM 0 HD12 ILE A 41 13.021 12.836 -0.568 1.00 0.00 H new ATOM 0 HD13 ILE A 41 12.354 14.015 -1.722 1.00 0.00 H new ATOM 627 N LEU A 42 15.884 17.587 -2.784 1.00 0.00 N ATOM 628 CA LEU A 42 16.492 18.152 -3.933 1.00 0.00 C ATOM 629 C LEU A 42 17.766 17.382 -4.157 1.00 0.00 C ATOM 630 O LEU A 42 18.610 17.303 -3.264 1.00 0.00 O ATOM 631 CB LEU A 42 16.721 19.677 -3.688 1.00 0.00 C ATOM 632 CG LEU A 42 17.280 20.570 -4.829 1.00 0.00 C ATOM 633 CD1 LEU A 42 18.763 20.387 -5.038 1.00 0.00 C ATOM 634 CD2 LEU A 42 16.537 20.318 -6.115 1.00 0.00 C ATOM 0 H LEU A 42 16.172 18.017 -1.905 1.00 0.00 H new ATOM 0 HA LEU A 42 15.875 18.079 -4.829 1.00 0.00 H new ATOM 0 HB2 LEU A 42 15.766 20.103 -3.381 1.00 0.00 H new ATOM 0 HB3 LEU A 42 17.400 19.771 -2.840 1.00 0.00 H new ATOM 0 HG LEU A 42 17.125 21.604 -4.521 1.00 0.00 H new ATOM 0 HD11 LEU A 42 19.099 21.035 -5.847 1.00 0.00 H new ATOM 0 HD12 LEU A 42 19.294 20.645 -4.122 1.00 0.00 H new ATOM 0 HD13 LEU A 42 18.969 19.348 -5.296 1.00 0.00 H new ATOM 0 HD21 LEU A 42 16.944 20.954 -6.901 1.00 0.00 H new ATOM 0 HD22 LEU A 42 16.648 19.272 -6.400 1.00 0.00 H new ATOM 0 HD23 LEU A 42 15.480 20.546 -5.975 1.00 0.00 H new ATOM 646 N SER A 43 17.883 16.762 -5.313 1.00 0.00 N ATOM 647 CA SER A 43 19.041 15.988 -5.604 1.00 0.00 C ATOM 648 C SER A 43 20.193 16.943 -5.781 1.00 0.00 C ATOM 649 O SER A 43 20.207 17.792 -6.691 1.00 0.00 O ATOM 650 CB SER A 43 18.839 15.101 -6.844 1.00 0.00 C ATOM 651 OG SER A 43 19.919 14.192 -6.999 1.00 0.00 O ATOM 0 H SER A 43 17.185 16.787 -6.056 1.00 0.00 H new ATOM 0 HA SER A 43 19.247 15.302 -4.783 1.00 0.00 H new ATOM 0 HB2 SER A 43 17.904 14.548 -6.752 1.00 0.00 H new ATOM 0 HB3 SER A 43 18.754 15.726 -7.733 1.00 0.00 H new ATOM 0 HG SER A 43 19.768 13.637 -7.793 1.00 0.00 H new ATOM 657 N ARG A 44 21.103 16.856 -4.879 1.00 0.00 N ATOM 658 CA ARG A 44 22.226 17.708 -4.819 1.00 0.00 C ATOM 659 C ARG A 44 23.385 16.888 -4.348 1.00 0.00 C ATOM 660 O ARG A 44 23.171 15.829 -3.748 1.00 0.00 O ATOM 661 CB ARG A 44 21.911 18.890 -3.885 1.00 0.00 C ATOM 662 CG ARG A 44 21.510 18.506 -2.460 1.00 0.00 C ATOM 663 CD ARG A 44 20.791 19.663 -1.763 1.00 0.00 C ATOM 664 NE ARG A 44 21.559 20.909 -1.843 1.00 0.00 N ATOM 665 CZ ARG A 44 21.123 22.119 -1.518 1.00 0.00 C ATOM 666 NH1 ARG A 44 19.927 22.307 -0.996 1.00 0.00 N1+ ATOM 667 NH2 ARG A 44 21.906 23.162 -1.716 1.00 0.00 N ATOM 0 H ARG A 44 21.081 16.160 -4.134 1.00 0.00 H new ATOM 0 HA ARG A 44 22.476 18.133 -5.791 1.00 0.00 H new ATOM 0 HB2 ARG A 44 22.787 19.537 -3.837 1.00 0.00 H new ATOM 0 HB3 ARG A 44 21.105 19.476 -4.326 1.00 0.00 H new ATOM 0 HG2 ARG A 44 20.860 17.631 -2.484 1.00 0.00 H new ATOM 0 HG3 ARG A 44 22.397 18.229 -1.891 1.00 0.00 H new ATOM 0 HD2 ARG A 44 19.812 19.810 -2.219 1.00 0.00 H new ATOM 0 HD3 ARG A 44 20.621 19.408 -0.717 1.00 0.00 H new ATOM 0 HE ARG A 44 22.519 20.839 -2.180 1.00 0.00 H new ATOM 0 HH11 ARG A 44 19.311 21.511 -0.833 1.00 0.00 H new ATOM 0 HH12 ARG A 44 19.618 23.249 -0.756 1.00 0.00 H new ATOM 0 HH21 ARG A 44 22.836 23.033 -2.115 1.00 0.00 H new ATOM 0 HH22 ARG A 44 21.582 24.097 -1.470 1.00 0.00 H new ATOM 681 N ASP A 45 24.590 17.309 -4.670 1.00 0.00 N ATOM 682 CA ASP A 45 25.783 16.566 -4.286 1.00 0.00 C ATOM 683 C ASP A 45 25.874 16.441 -2.799 1.00 0.00 C ATOM 684 O ASP A 45 25.679 17.403 -2.075 1.00 0.00 O ATOM 685 CB ASP A 45 27.065 17.173 -4.839 1.00 0.00 C ATOM 686 CG ASP A 45 28.293 16.469 -4.291 1.00 0.00 C ATOM 687 OD1 ASP A 45 28.537 15.303 -4.637 1.00 0.00 O ATOM 688 OD2 ASP A 45 29.003 17.062 -3.467 1.00 0.00 O1- ATOM 0 H ASP A 45 24.775 18.162 -5.197 1.00 0.00 H new ATOM 0 HA ASP A 45 25.682 15.575 -4.728 1.00 0.00 H new ATOM 0 HB2 ASP A 45 27.061 17.106 -5.927 1.00 0.00 H new ATOM 0 HB3 ASP A 45 27.107 18.232 -4.585 1.00 0.00 H new ATOM 693 N GLU A 46 26.171 15.274 -2.365 1.00 0.00 N ATOM 694 CA GLU A 46 26.195 14.957 -0.953 1.00 0.00 C ATOM 695 C GLU A 46 27.390 15.596 -0.194 1.00 0.00 C ATOM 696 O GLU A 46 27.402 15.642 1.034 1.00 0.00 O ATOM 697 CB GLU A 46 26.116 13.436 -0.748 1.00 0.00 C ATOM 698 CG GLU A 46 25.853 13.000 0.682 1.00 0.00 C ATOM 699 CD GLU A 46 25.719 11.515 0.821 1.00 0.00 C ATOM 700 OE1 GLU A 46 24.679 10.958 0.449 1.00 0.00 O1- ATOM 701 OE2 GLU A 46 26.670 10.871 1.309 1.00 0.00 O ATOM 0 H GLU A 46 26.410 14.490 -2.972 1.00 0.00 H new ATOM 0 HA GLU A 46 25.310 15.410 -0.507 1.00 0.00 H new ATOM 0 HB2 GLU A 46 25.327 13.038 -1.386 1.00 0.00 H new ATOM 0 HB3 GLU A 46 27.052 12.989 -1.083 1.00 0.00 H new ATOM 0 HG2 GLU A 46 26.667 13.348 1.318 1.00 0.00 H new ATOM 0 HG3 GLU A 46 24.941 13.478 1.041 1.00 0.00 H new ATOM 708 N ASN A 47 28.345 16.130 -0.906 1.00 0.00 N ATOM 709 CA ASN A 47 29.530 16.688 -0.270 1.00 0.00 C ATOM 710 C ASN A 47 29.487 18.201 -0.248 1.00 0.00 C ATOM 711 O ASN A 47 29.588 18.824 0.811 1.00 0.00 O ATOM 712 CB ASN A 47 30.792 16.236 -0.996 1.00 0.00 C ATOM 713 CG ASN A 47 30.975 14.739 -1.004 1.00 0.00 C ATOM 714 OD1 ASN A 47 31.574 14.169 -0.097 1.00 0.00 O ATOM 715 ND2 ASN A 47 30.477 14.090 -2.030 1.00 0.00 N ATOM 0 H ASN A 47 28.336 16.195 -1.924 1.00 0.00 H new ATOM 0 HA ASN A 47 29.546 16.323 0.757 1.00 0.00 H new ATOM 0 HB2 ASN A 47 30.759 16.596 -2.024 1.00 0.00 H new ATOM 0 HB3 ASN A 47 31.659 16.698 -0.524 1.00 0.00 H new ATOM 0 HD21 ASN A 47 30.582 13.077 -2.093 1.00 0.00 H new ATOM 0 HD22 ASN A 47 29.985 14.598 -2.765 1.00 0.00 H new ATOM 722 N THR A 48 29.338 18.800 -1.403 1.00 0.00 N ATOM 723 CA THR A 48 29.357 20.249 -1.500 1.00 0.00 C ATOM 724 C THR A 48 27.933 20.823 -1.524 1.00 0.00 C ATOM 725 O THR A 48 27.717 22.040 -1.371 1.00 0.00 O ATOM 726 CB THR A 48 30.217 20.738 -2.713 1.00 0.00 C ATOM 727 OG1 THR A 48 30.230 22.166 -2.809 1.00 0.00 O ATOM 728 CG2 THR A 48 29.728 20.149 -4.007 1.00 0.00 C ATOM 0 H THR A 48 29.202 18.314 -2.290 1.00 0.00 H new ATOM 0 HA THR A 48 29.842 20.635 -0.603 1.00 0.00 H new ATOM 0 HB THR A 48 31.235 20.393 -2.533 1.00 0.00 H new ATOM 0 HG1 THR A 48 29.437 22.531 -2.364 1.00 0.00 H new ATOM 0 HG21 THR A 48 30.348 20.510 -4.828 1.00 0.00 H new ATOM 0 HG22 THR A 48 29.788 19.062 -3.958 1.00 0.00 H new ATOM 0 HG23 THR A 48 28.693 20.448 -4.175 1.00 0.00 H new ATOM 736 N GLY A 49 26.967 19.944 -1.688 1.00 0.00 N ATOM 737 CA GLY A 49 25.584 20.341 -1.669 1.00 0.00 C ATOM 738 C GLY A 49 25.131 21.015 -2.933 1.00 0.00 C ATOM 739 O GLY A 49 24.085 21.650 -2.938 1.00 0.00 O ATOM 0 H GLY A 49 27.120 18.947 -1.836 1.00 0.00 H new ATOM 0 HA2 GLY A 49 24.965 19.461 -1.495 1.00 0.00 H new ATOM 0 HA3 GLY A 49 25.421 21.016 -0.829 1.00 0.00 H new ATOM 743 N GLU A 50 25.880 20.854 -4.009 1.00 0.00 N ATOM 744 CA GLU A 50 25.544 21.521 -5.250 1.00 0.00 C ATOM 745 C GLU A 50 24.364 20.858 -5.955 1.00 0.00 C ATOM 746 O GLU A 50 24.309 19.632 -6.075 1.00 0.00 O ATOM 747 CB GLU A 50 26.799 21.768 -6.140 1.00 0.00 C ATOM 748 CG GLU A 50 27.611 20.551 -6.617 1.00 0.00 C ATOM 749 CD GLU A 50 27.031 19.788 -7.781 1.00 0.00 C ATOM 750 OE1 GLU A 50 26.552 20.421 -8.741 1.00 0.00 O ATOM 751 OE2 GLU A 50 27.138 18.538 -7.796 1.00 0.00 O1- ATOM 0 H GLU A 50 26.717 20.272 -4.048 1.00 0.00 H new ATOM 0 HA GLU A 50 25.185 22.522 -5.010 1.00 0.00 H new ATOM 0 HB2 GLU A 50 26.476 22.318 -7.024 1.00 0.00 H new ATOM 0 HB3 GLU A 50 27.474 22.421 -5.587 1.00 0.00 H new ATOM 0 HG2 GLU A 50 28.610 20.890 -6.891 1.00 0.00 H new ATOM 0 HG3 GLU A 50 27.726 19.864 -5.779 1.00 0.00 H new ATOM 758 N SER A 51 23.396 21.669 -6.327 1.00 0.00 N ATOM 759 CA SER A 51 22.157 21.227 -6.943 1.00 0.00 C ATOM 760 C SER A 51 22.393 20.491 -8.274 1.00 0.00 C ATOM 761 O SER A 51 23.128 20.971 -9.139 1.00 0.00 O ATOM 762 CB SER A 51 21.267 22.452 -7.149 1.00 0.00 C ATOM 763 OG SER A 51 21.148 23.171 -5.927 1.00 0.00 O ATOM 0 H SER A 51 23.448 22.681 -6.207 1.00 0.00 H new ATOM 0 HA SER A 51 21.671 20.508 -6.284 1.00 0.00 H new ATOM 0 HB2 SER A 51 21.690 23.095 -7.920 1.00 0.00 H new ATOM 0 HB3 SER A 51 20.282 22.143 -7.497 1.00 0.00 H new ATOM 0 HG SER A 51 20.578 23.956 -6.064 1.00 0.00 H new ATOM 769 N GLN A 52 21.771 19.323 -8.428 1.00 0.00 N ATOM 770 CA GLN A 52 21.912 18.534 -9.651 1.00 0.00 C ATOM 771 C GLN A 52 20.880 18.979 -10.690 1.00 0.00 C ATOM 772 O GLN A 52 21.044 18.742 -11.875 1.00 0.00 O ATOM 773 CB GLN A 52 21.718 17.027 -9.394 1.00 0.00 C ATOM 774 CG GLN A 52 22.630 16.374 -8.350 1.00 0.00 C ATOM 775 CD GLN A 52 24.104 16.576 -8.591 1.00 0.00 C ATOM 776 OE1 GLN A 52 24.728 15.826 -9.329 1.00 0.00 O ATOM 777 NE2 GLN A 52 24.683 17.501 -7.891 1.00 0.00 N ATOM 0 H GLN A 52 21.166 18.903 -7.723 1.00 0.00 H new ATOM 0 HA GLN A 52 22.925 18.701 -10.017 1.00 0.00 H new ATOM 0 HB2 GLN A 52 20.684 16.866 -9.088 1.00 0.00 H new ATOM 0 HB3 GLN A 52 21.856 16.502 -10.339 1.00 0.00 H new ATOM 0 HG2 GLN A 52 22.378 16.772 -7.367 1.00 0.00 H new ATOM 0 HG3 GLN A 52 22.423 15.304 -8.324 1.00 0.00 H new ATOM 0 HE21 GLN A 52 24.127 18.107 -7.287 1.00 0.00 H new ATOM 0 HE22 GLN A 52 25.694 17.623 -7.944 1.00 0.00 H new ATOM 786 N GLY A 53 19.814 19.621 -10.226 1.00 0.00 N ATOM 787 CA GLY A 53 18.764 20.053 -11.135 1.00 0.00 C ATOM 788 C GLY A 53 17.625 19.054 -11.197 1.00 0.00 C ATOM 789 O GLY A 53 16.768 19.108 -12.093 1.00 0.00 O ATOM 0 H GLY A 53 19.657 19.850 -9.245 1.00 0.00 H new ATOM 0 HA2 GLY A 53 18.381 21.021 -10.813 1.00 0.00 H new ATOM 0 HA3 GLY A 53 19.181 20.191 -12.133 1.00 0.00 H new ATOM 793 N PHE A 54 17.618 18.139 -10.250 1.00 0.00 N ATOM 794 CA PHE A 54 16.598 17.116 -10.143 1.00 0.00 C ATOM 795 C PHE A 54 16.164 17.050 -8.697 1.00 0.00 C ATOM 796 O PHE A 54 16.917 17.465 -7.819 1.00 0.00 O ATOM 797 CB PHE A 54 17.149 15.738 -10.572 1.00 0.00 C ATOM 798 CG PHE A 54 17.705 15.687 -11.971 1.00 0.00 C ATOM 799 CD1 PHE A 54 16.863 15.564 -13.061 1.00 0.00 C ATOM 800 CD2 PHE A 54 19.071 15.767 -12.191 1.00 0.00 C ATOM 801 CE1 PHE A 54 17.372 15.522 -14.345 1.00 0.00 C ATOM 802 CE2 PHE A 54 19.585 15.725 -13.469 1.00 0.00 C ATOM 803 CZ PHE A 54 18.734 15.603 -14.550 1.00 0.00 C ATOM 0 H PHE A 54 18.331 18.084 -9.522 1.00 0.00 H new ATOM 0 HA PHE A 54 15.762 17.364 -10.797 1.00 0.00 H new ATOM 0 HB2 PHE A 54 17.932 15.442 -9.874 1.00 0.00 H new ATOM 0 HB3 PHE A 54 16.351 15.001 -10.486 1.00 0.00 H new ATOM 0 HD1 PHE A 54 15.796 15.500 -12.907 1.00 0.00 H new ATOM 0 HD2 PHE A 54 19.741 15.864 -11.350 1.00 0.00 H new ATOM 0 HE1 PHE A 54 16.704 15.426 -15.188 1.00 0.00 H new ATOM 0 HE2 PHE A 54 20.652 15.787 -13.625 1.00 0.00 H new ATOM 0 HZ PHE A 54 19.134 15.571 -15.553 1.00 0.00 H new ATOM 813 N ALA A 55 14.990 16.549 -8.448 1.00 0.00 N ATOM 814 CA ALA A 55 14.465 16.424 -7.108 1.00 0.00 C ATOM 815 C ALA A 55 13.445 15.303 -7.063 1.00 0.00 C ATOM 816 O ALA A 55 13.047 14.780 -8.105 1.00 0.00 O ATOM 817 CB ALA A 55 13.813 17.733 -6.668 1.00 0.00 C ATOM 0 H ALA A 55 14.358 16.210 -9.173 1.00 0.00 H new ATOM 0 HA ALA A 55 15.286 16.196 -6.428 1.00 0.00 H new ATOM 0 HB1 ALA A 55 13.422 17.623 -5.656 1.00 0.00 H new ATOM 0 HB2 ALA A 55 14.554 18.532 -6.686 1.00 0.00 H new ATOM 0 HB3 ALA A 55 12.997 17.979 -7.347 1.00 0.00 H new ATOM 823 N TYR A 56 13.056 14.922 -5.879 1.00 0.00 N ATOM 824 CA TYR A 56 12.020 13.934 -5.673 1.00 0.00 C ATOM 825 C TYR A 56 11.101 14.483 -4.597 1.00 0.00 C ATOM 826 O TYR A 56 11.572 15.188 -3.694 1.00 0.00 O ATOM 827 CB TYR A 56 12.594 12.585 -5.193 1.00 0.00 C ATOM 828 CG TYR A 56 13.686 11.974 -6.054 1.00 0.00 C ATOM 829 CD1 TYR A 56 13.406 11.441 -7.302 1.00 0.00 C ATOM 830 CD2 TYR A 56 15.000 11.918 -5.601 1.00 0.00 C ATOM 831 CE1 TYR A 56 14.401 10.868 -8.076 1.00 0.00 C ATOM 832 CE2 TYR A 56 15.999 11.346 -6.364 1.00 0.00 C ATOM 833 CZ TYR A 56 15.695 10.821 -7.600 1.00 0.00 C ATOM 834 OH TYR A 56 16.693 10.239 -8.363 1.00 0.00 O ATOM 0 H TYR A 56 13.451 15.291 -5.014 1.00 0.00 H new ATOM 0 HA TYR A 56 11.502 13.751 -6.614 1.00 0.00 H new ATOM 0 HB2 TYR A 56 12.988 12.720 -4.186 1.00 0.00 H new ATOM 0 HB3 TYR A 56 11.774 11.870 -5.122 1.00 0.00 H new ATOM 0 HD1 TYR A 56 12.394 11.473 -7.678 1.00 0.00 H new ATOM 0 HD2 TYR A 56 15.244 12.330 -4.633 1.00 0.00 H new ATOM 0 HE1 TYR A 56 14.165 10.460 -9.048 1.00 0.00 H new ATOM 0 HE2 TYR A 56 17.013 11.311 -5.993 1.00 0.00 H new ATOM 0 HH TYR A 56 17.545 10.290 -7.881 1.00 0.00 H new ATOM 844 N LEU A 57 9.829 14.213 -4.684 1.00 0.00 N ATOM 845 CA LEU A 57 8.895 14.706 -3.689 1.00 0.00 C ATOM 846 C LEU A 57 7.764 13.707 -3.521 1.00 0.00 C ATOM 847 O LEU A 57 7.501 12.932 -4.416 1.00 0.00 O ATOM 848 CB LEU A 57 8.357 16.097 -4.144 1.00 0.00 C ATOM 849 CG LEU A 57 7.544 16.953 -3.139 1.00 0.00 C ATOM 850 CD1 LEU A 57 7.629 18.409 -3.533 1.00 0.00 C ATOM 851 CD2 LEU A 57 6.084 16.555 -3.138 1.00 0.00 C ATOM 0 H LEU A 57 9.408 13.657 -5.428 1.00 0.00 H new ATOM 0 HA LEU A 57 9.391 14.823 -2.725 1.00 0.00 H new ATOM 0 HB2 LEU A 57 9.212 16.691 -4.466 1.00 0.00 H new ATOM 0 HB3 LEU A 57 7.731 15.937 -5.022 1.00 0.00 H new ATOM 0 HG LEU A 57 7.964 16.791 -2.146 1.00 0.00 H new ATOM 0 HD11 LEU A 57 7.057 19.011 -2.827 1.00 0.00 H new ATOM 0 HD12 LEU A 57 8.671 18.729 -3.522 1.00 0.00 H new ATOM 0 HD13 LEU A 57 7.220 18.539 -4.535 1.00 0.00 H new ATOM 0 HD21 LEU A 57 5.539 17.172 -2.424 1.00 0.00 H new ATOM 0 HD22 LEU A 57 5.667 16.699 -4.135 1.00 0.00 H new ATOM 0 HD23 LEU A 57 5.993 15.506 -2.855 1.00 0.00 H new ATOM 863 N LYS A 58 7.160 13.683 -2.361 1.00 0.00 N ATOM 864 CA LYS A 58 5.957 12.908 -2.139 1.00 0.00 C ATOM 865 C LYS A 58 5.074 13.594 -1.128 1.00 0.00 C ATOM 866 O LYS A 58 5.561 14.250 -0.183 1.00 0.00 O ATOM 867 CB LYS A 58 6.200 11.451 -1.683 1.00 0.00 C ATOM 868 CG LYS A 58 7.012 11.305 -0.431 1.00 0.00 C ATOM 869 CD LYS A 58 6.897 9.922 0.199 1.00 0.00 C ATOM 870 CE LYS A 58 5.503 9.694 0.763 1.00 0.00 C ATOM 871 NZ LYS A 58 5.399 8.426 1.510 1.00 0.00 N1+ ATOM 0 H LYS A 58 7.484 14.198 -1.542 1.00 0.00 H new ATOM 0 HA LYS A 58 5.474 12.851 -3.114 1.00 0.00 H new ATOM 0 HB2 LYS A 58 5.235 10.968 -1.530 1.00 0.00 H new ATOM 0 HB3 LYS A 58 6.701 10.913 -2.488 1.00 0.00 H new ATOM 0 HG2 LYS A 58 8.059 11.508 -0.658 1.00 0.00 H new ATOM 0 HG3 LYS A 58 6.691 12.055 0.292 1.00 0.00 H new ATOM 0 HD2 LYS A 58 7.121 9.159 -0.547 1.00 0.00 H new ATOM 0 HD3 LYS A 58 7.636 9.818 0.993 1.00 0.00 H new ATOM 0 HE2 LYS A 58 5.240 10.523 1.421 1.00 0.00 H new ATOM 0 HE3 LYS A 58 4.780 9.692 -0.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 4.431 8.316 1.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 5.623 7.631 0.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 6.069 8.436 2.305 1.00 0.00 H new ATOM 885 N TYR A 59 3.804 13.512 -1.363 1.00 0.00 N ATOM 886 CA TYR A 59 2.816 13.960 -0.412 1.00 0.00 C ATOM 887 C TYR A 59 2.390 12.770 0.440 1.00 0.00 C ATOM 888 O TYR A 59 2.852 11.645 0.222 1.00 0.00 O ATOM 889 CB TYR A 59 1.579 14.525 -1.119 1.00 0.00 C ATOM 890 CG TYR A 59 1.800 15.750 -1.981 1.00 0.00 C ATOM 891 CD1 TYR A 59 2.407 15.656 -3.222 1.00 0.00 C ATOM 892 CD2 TYR A 59 1.347 16.992 -1.570 1.00 0.00 C ATOM 893 CE1 TYR A 59 2.557 16.762 -4.027 1.00 0.00 C ATOM 894 CE2 TYR A 59 1.503 18.104 -2.365 1.00 0.00 C ATOM 895 CZ TYR A 59 2.107 17.982 -3.592 1.00 0.00 C ATOM 896 OH TYR A 59 2.232 19.076 -4.396 1.00 0.00 O ATOM 0 H TYR A 59 3.412 13.131 -2.224 1.00 0.00 H new ATOM 0 HA TYR A 59 3.254 14.748 0.200 1.00 0.00 H new ATOM 0 HB2 TYR A 59 1.153 13.740 -1.743 1.00 0.00 H new ATOM 0 HB3 TYR A 59 0.834 14.769 -0.362 1.00 0.00 H new ATOM 0 HD1 TYR A 59 2.769 14.698 -3.564 1.00 0.00 H new ATOM 0 HD2 TYR A 59 0.863 17.090 -0.609 1.00 0.00 H new ATOM 0 HE1 TYR A 59 3.026 16.670 -4.995 1.00 0.00 H new ATOM 0 HE2 TYR A 59 1.152 19.068 -2.026 1.00 0.00 H new ATOM 0 HH TYR A 59 2.187 19.889 -3.851 1.00 0.00 H new ATOM 906 N GLU A 60 1.538 13.038 1.410 1.00 0.00 N ATOM 907 CA GLU A 60 0.996 12.026 2.305 1.00 0.00 C ATOM 908 C GLU A 60 0.149 11.080 1.484 1.00 0.00 C ATOM 909 O GLU A 60 0.404 9.871 1.429 1.00 0.00 O ATOM 910 CB GLU A 60 0.165 12.752 3.402 1.00 0.00 C ATOM 911 CG GLU A 60 -0.289 11.918 4.608 1.00 0.00 C ATOM 912 CD GLU A 60 -1.435 10.962 4.343 1.00 0.00 C ATOM 913 OE1 GLU A 60 -2.605 11.357 4.509 1.00 0.00 O ATOM 914 OE2 GLU A 60 -1.189 9.782 4.032 1.00 0.00 O1- ATOM 0 H GLU A 60 1.195 13.979 1.604 1.00 0.00 H new ATOM 0 HA GLU A 60 1.778 11.446 2.795 1.00 0.00 H new ATOM 0 HB2 GLU A 60 0.756 13.589 3.774 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -0.723 13.173 2.930 1.00 0.00 H new ATOM 0 HG2 GLU A 60 0.563 11.345 4.973 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -0.583 12.597 5.408 1.00 0.00 H new ATOM 921 N ASP A 61 -0.810 11.646 0.811 1.00 0.00 N ATOM 922 CA ASP A 61 -1.688 10.891 -0.027 1.00 0.00 C ATOM 923 C ASP A 61 -1.158 10.941 -1.446 1.00 0.00 C ATOM 924 O ASP A 61 -0.845 12.025 -1.967 1.00 0.00 O ATOM 925 CB ASP A 61 -3.096 11.478 0.009 1.00 0.00 C ATOM 926 CG ASP A 61 -4.128 10.538 -0.559 1.00 0.00 C ATOM 927 OD1 ASP A 61 -4.125 10.262 -1.779 1.00 0.00 O ATOM 928 OD2 ASP A 61 -4.971 10.054 0.213 1.00 0.00 O1- ATOM 0 H ASP A 61 -1.004 12.647 0.830 1.00 0.00 H new ATOM 0 HA ASP A 61 -1.733 9.862 0.328 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -3.358 11.721 1.039 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -3.111 12.412 -0.553 1.00 0.00 H new ATOM 933 N GLN A 62 -1.060 9.794 -2.072 1.00 0.00 N ATOM 934 CA GLN A 62 -0.566 9.694 -3.433 1.00 0.00 C ATOM 935 C GLN A 62 -1.418 10.433 -4.450 1.00 0.00 C ATOM 936 O GLN A 62 -0.936 10.768 -5.507 1.00 0.00 O ATOM 937 CB GLN A 62 -0.357 8.255 -3.859 1.00 0.00 C ATOM 938 CG GLN A 62 0.986 7.685 -3.498 1.00 0.00 C ATOM 939 CD GLN A 62 1.088 6.225 -3.871 1.00 0.00 C ATOM 940 OE1 GLN A 62 0.801 5.340 -3.063 1.00 0.00 O ATOM 941 NE2 GLN A 62 1.473 5.956 -5.092 1.00 0.00 N ATOM 0 H GLN A 62 -1.320 8.900 -1.656 1.00 0.00 H new ATOM 0 HA GLN A 62 0.402 10.194 -3.416 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -1.133 7.639 -3.404 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -0.488 8.187 -4.939 1.00 0.00 H new ATOM 0 HG2 GLN A 62 1.769 8.247 -4.007 1.00 0.00 H new ATOM 0 HG3 GLN A 62 1.155 7.800 -2.427 1.00 0.00 H new ATOM 0 HE21 GLN A 62 1.702 6.715 -5.733 1.00 0.00 H new ATOM 0 HE22 GLN A 62 1.544 4.987 -5.403 1.00 0.00 H new ATOM 950 N ARG A 63 -2.656 10.730 -4.127 1.00 0.00 N ATOM 951 CA ARG A 63 -3.513 11.459 -5.054 1.00 0.00 C ATOM 952 C ARG A 63 -3.085 12.916 -5.191 1.00 0.00 C ATOM 953 O ARG A 63 -3.323 13.547 -6.213 1.00 0.00 O ATOM 954 CB ARG A 63 -4.970 11.337 -4.661 1.00 0.00 C ATOM 955 CG ARG A 63 -5.529 9.947 -4.897 1.00 0.00 C ATOM 956 CD ARG A 63 -6.860 9.769 -4.214 1.00 0.00 C ATOM 957 NE ARG A 63 -6.718 9.793 -2.748 1.00 0.00 N ATOM 958 CZ ARG A 63 -7.690 9.493 -1.878 1.00 0.00 C ATOM 959 NH1 ARG A 63 -8.916 9.200 -2.310 1.00 0.00 N1+ ATOM 960 NH2 ARG A 63 -7.430 9.499 -0.585 1.00 0.00 N ATOM 0 H ARG A 63 -3.095 10.484 -3.240 1.00 0.00 H new ATOM 0 HA ARG A 63 -3.399 11.002 -6.037 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -5.080 11.594 -3.607 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -5.556 12.060 -5.228 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -5.641 9.775 -5.967 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -4.825 9.202 -4.526 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -7.541 10.560 -4.528 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -7.306 8.823 -4.523 1.00 0.00 H new ATOM 0 HE ARG A 63 -5.810 10.058 -2.367 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -9.119 9.203 -3.310 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -9.652 8.972 -1.641 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -6.493 9.731 -0.254 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -8.165 9.272 0.084 1.00 0.00 H new ATOM 974 N SER A 64 -2.380 13.424 -4.201 1.00 0.00 N ATOM 975 CA SER A 64 -1.908 14.790 -4.258 1.00 0.00 C ATOM 976 C SER A 64 -0.636 14.779 -5.087 1.00 0.00 C ATOM 977 O SER A 64 -0.357 15.684 -5.873 1.00 0.00 O ATOM 978 CB SER A 64 -1.653 15.296 -2.845 1.00 0.00 C ATOM 979 OG SER A 64 -2.798 15.077 -2.025 1.00 0.00 O ATOM 0 H SER A 64 -2.123 12.916 -3.355 1.00 0.00 H new ATOM 0 HA SER A 64 -2.640 15.458 -4.712 1.00 0.00 H new ATOM 0 HB2 SER A 64 -0.790 14.785 -2.419 1.00 0.00 H new ATOM 0 HB3 SER A 64 -1.414 16.359 -2.870 1.00 0.00 H new ATOM 0 HG SER A 64 -2.619 15.405 -1.119 1.00 0.00 H new ATOM 985 N THR A 65 0.083 13.692 -4.926 1.00 0.00 N ATOM 986 CA THR A 65 1.243 13.363 -5.689 1.00 0.00 C ATOM 987 C THR A 65 0.869 13.262 -7.206 1.00 0.00 C ATOM 988 O THR A 65 1.516 13.875 -8.063 1.00 0.00 O ATOM 989 CB THR A 65 1.781 12.022 -5.129 1.00 0.00 C ATOM 990 OG1 THR A 65 2.417 12.203 -3.847 1.00 0.00 O ATOM 991 CG2 THR A 65 2.686 11.307 -6.063 1.00 0.00 C ATOM 0 H THR A 65 -0.144 12.987 -4.225 1.00 0.00 H new ATOM 0 HA THR A 65 2.015 14.129 -5.609 1.00 0.00 H new ATOM 0 HB THR A 65 0.904 11.387 -5.002 1.00 0.00 H new ATOM 0 HG1 THR A 65 2.744 11.339 -3.519 1.00 0.00 H new ATOM 0 HG21 THR A 65 3.023 10.378 -5.603 1.00 0.00 H new ATOM 0 HG22 THR A 65 2.152 11.082 -6.986 1.00 0.00 H new ATOM 0 HG23 THR A 65 3.549 11.935 -6.286 1.00 0.00 H new ATOM 999 N ILE A 66 -0.212 12.528 -7.491 1.00 0.00 N ATOM 1000 CA ILE A 66 -0.745 12.357 -8.847 1.00 0.00 C ATOM 1001 C ILE A 66 -1.165 13.710 -9.446 1.00 0.00 C ATOM 1002 O ILE A 66 -0.942 13.991 -10.644 1.00 0.00 O ATOM 1003 CB ILE A 66 -1.970 11.394 -8.828 1.00 0.00 C ATOM 1004 CG1 ILE A 66 -1.537 9.988 -8.400 1.00 0.00 C ATOM 1005 CG2 ILE A 66 -2.668 11.348 -10.180 1.00 0.00 C ATOM 1006 CD1 ILE A 66 -2.689 9.030 -8.196 1.00 0.00 C ATOM 0 H ILE A 66 -0.747 12.031 -6.779 1.00 0.00 H new ATOM 0 HA ILE A 66 0.043 11.929 -9.467 1.00 0.00 H new ATOM 0 HB ILE A 66 -2.684 11.780 -8.101 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -0.866 9.579 -9.155 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -0.968 10.060 -7.473 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -3.517 10.666 -10.128 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -3.019 12.346 -10.442 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -1.968 10.999 -10.939 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.303 8.056 -7.894 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -3.349 9.415 -7.419 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -3.246 8.927 -9.127 1.00 0.00 H new ATOM 1018 N LEU A 67 -1.742 14.541 -8.617 1.00 0.00 N ATOM 1019 CA LEU A 67 -2.208 15.825 -9.057 1.00 0.00 C ATOM 1020 C LEU A 67 -1.015 16.720 -9.414 1.00 0.00 C ATOM 1021 O LEU A 67 -1.008 17.366 -10.443 1.00 0.00 O ATOM 1022 CB LEU A 67 -3.085 16.470 -7.979 1.00 0.00 C ATOM 1023 CG LEU A 67 -3.912 17.679 -8.415 1.00 0.00 C ATOM 1024 CD1 LEU A 67 -4.903 17.278 -9.499 1.00 0.00 C ATOM 1025 CD2 LEU A 67 -4.643 18.273 -7.228 1.00 0.00 C ATOM 0 H LEU A 67 -1.900 14.347 -7.628 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.818 15.699 -9.951 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -3.765 15.711 -7.592 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.443 16.774 -7.152 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.238 18.433 -8.821 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.485 18.149 -9.800 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.361 16.888 -10.361 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -5.573 16.509 -9.113 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -5.228 19.133 -7.554 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -5.308 17.524 -6.798 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.920 18.590 -6.477 1.00 0.00 H new ATOM 1037 N ALA A 68 0.009 16.707 -8.580 1.00 0.00 N ATOM 1038 CA ALA A 68 1.200 17.509 -8.821 1.00 0.00 C ATOM 1039 C ALA A 68 1.919 17.093 -10.099 1.00 0.00 C ATOM 1040 O ALA A 68 2.292 17.955 -10.908 1.00 0.00 O ATOM 1041 CB ALA A 68 2.134 17.458 -7.634 1.00 0.00 C ATOM 0 H ALA A 68 0.042 16.149 -7.727 1.00 0.00 H new ATOM 0 HA ALA A 68 0.873 18.540 -8.956 1.00 0.00 H new ATOM 0 HB1 ALA A 68 3.016 18.065 -7.839 1.00 0.00 H new ATOM 0 HB2 ALA A 68 1.623 17.846 -6.752 1.00 0.00 H new ATOM 0 HB3 ALA A 68 2.437 16.427 -7.454 1.00 0.00 H new ATOM 1047 N VAL A 69 2.072 15.787 -10.309 1.00 0.00 N ATOM 1048 CA VAL A 69 2.769 15.281 -11.489 1.00 0.00 C ATOM 1049 C VAL A 69 2.072 15.661 -12.799 1.00 0.00 C ATOM 1050 O VAL A 69 2.726 16.071 -13.756 1.00 0.00 O ATOM 1051 CB VAL A 69 3.085 13.731 -11.423 1.00 0.00 C ATOM 1052 CG1 VAL A 69 1.862 12.910 -11.160 1.00 0.00 C ATOM 1053 CG2 VAL A 69 3.754 13.237 -12.692 1.00 0.00 C ATOM 0 H VAL A 69 1.724 15.063 -9.680 1.00 0.00 H new ATOM 0 HA VAL A 69 3.734 15.788 -11.481 1.00 0.00 H new ATOM 0 HB VAL A 69 3.772 13.606 -10.586 1.00 0.00 H new ATOM 0 HG11 VAL A 69 2.133 11.855 -11.124 1.00 0.00 H new ATOM 0 HG12 VAL A 69 1.424 13.205 -10.206 1.00 0.00 H new ATOM 0 HG13 VAL A 69 1.137 13.072 -11.958 1.00 0.00 H new ATOM 0 HG21 VAL A 69 3.954 12.169 -12.606 1.00 0.00 H new ATOM 0 HG22 VAL A 69 3.097 13.416 -13.543 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.693 13.771 -12.840 1.00 0.00 H new ATOM 1063 N ASP A 70 0.761 15.583 -12.826 1.00 0.00 N ATOM 1064 CA ASP A 70 0.030 15.864 -14.063 1.00 0.00 C ATOM 1065 C ASP A 70 -0.155 17.365 -14.294 1.00 0.00 C ATOM 1066 O ASP A 70 -0.143 17.848 -15.442 1.00 0.00 O ATOM 1067 CB ASP A 70 -1.320 15.148 -14.038 1.00 0.00 C ATOM 1068 CG ASP A 70 -2.108 15.251 -15.332 1.00 0.00 C ATOM 1069 OD1 ASP A 70 -1.586 14.911 -16.399 1.00 0.00 O ATOM 1070 OD2 ASP A 70 -3.301 15.546 -15.290 1.00 0.00 O1- ATOM 0 H ASP A 70 0.178 15.333 -12.027 1.00 0.00 H new ATOM 0 HA ASP A 70 0.623 15.488 -14.897 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -1.155 14.095 -13.810 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -1.921 15.559 -13.227 1.00 0.00 H new ATOM 1075 N ASN A 71 -0.234 18.109 -13.219 1.00 0.00 N ATOM 1076 CA ASN A 71 -0.566 19.527 -13.307 1.00 0.00 C ATOM 1077 C ASN A 71 0.631 20.416 -13.453 1.00 0.00 C ATOM 1078 O ASN A 71 0.625 21.340 -14.259 1.00 0.00 O ATOM 1079 CB ASN A 71 -1.399 19.995 -12.119 1.00 0.00 C ATOM 1080 CG ASN A 71 -2.798 19.436 -12.115 1.00 0.00 C ATOM 1081 OD1 ASN A 71 -3.051 18.320 -12.575 1.00 0.00 O ATOM 1082 ND2 ASN A 71 -3.706 20.194 -11.602 1.00 0.00 N ATOM 0 H ASN A 71 -0.075 17.767 -12.271 1.00 0.00 H new ATOM 0 HA ASN A 71 -1.156 19.615 -14.219 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -0.897 19.706 -11.196 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -1.450 21.084 -12.126 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -4.675 19.877 -11.566 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -3.456 21.111 -11.232 1.00 0.00 H new ATOM 1089 N LEU A 72 1.663 20.156 -12.698 1.00 0.00 N ATOM 1090 CA LEU A 72 2.823 21.025 -12.724 1.00 0.00 C ATOM 1091 C LEU A 72 3.771 20.691 -13.847 1.00 0.00 C ATOM 1092 O LEU A 72 4.688 21.453 -14.131 1.00 0.00 O ATOM 1093 CB LEU A 72 3.537 21.034 -11.375 1.00 0.00 C ATOM 1094 CG LEU A 72 2.794 21.738 -10.244 1.00 0.00 C ATOM 1095 CD1 LEU A 72 3.513 21.522 -8.927 1.00 0.00 C ATOM 1096 CD2 LEU A 72 2.683 23.233 -10.545 1.00 0.00 C ATOM 0 H LEU A 72 1.732 19.361 -12.062 1.00 0.00 H new ATOM 0 HA LEU A 72 2.456 22.033 -12.918 1.00 0.00 H new ATOM 0 HB2 LEU A 72 3.725 20.003 -11.076 1.00 0.00 H new ATOM 0 HB3 LEU A 72 4.509 21.512 -11.501 1.00 0.00 H new ATOM 0 HG LEU A 72 1.792 21.317 -10.166 1.00 0.00 H new ATOM 0 HD11 LEU A 72 2.971 22.030 -8.129 1.00 0.00 H new ATOM 0 HD12 LEU A 72 3.562 20.455 -8.710 1.00 0.00 H new ATOM 0 HD13 LEU A 72 4.523 21.925 -8.994 1.00 0.00 H new ATOM 0 HD21 LEU A 72 2.151 23.729 -9.733 1.00 0.00 H new ATOM 0 HD22 LEU A 72 3.681 23.660 -10.639 1.00 0.00 H new ATOM 0 HD23 LEU A 72 2.137 23.377 -11.477 1.00 0.00 H new ATOM 1108 N ASN A 73 3.554 19.562 -14.489 1.00 0.00 N ATOM 1109 CA ASN A 73 4.420 19.141 -15.584 1.00 0.00 C ATOM 1110 C ASN A 73 4.333 20.135 -16.727 1.00 0.00 C ATOM 1111 O ASN A 73 3.268 20.294 -17.350 1.00 0.00 O ATOM 1112 CB ASN A 73 4.041 17.760 -16.101 1.00 0.00 C ATOM 1113 CG ASN A 73 5.029 17.247 -17.136 1.00 0.00 C ATOM 1114 OD1 ASN A 73 6.241 17.474 -17.025 1.00 0.00 O ATOM 1115 ND2 ASN A 73 4.534 16.615 -18.166 1.00 0.00 N ATOM 0 H ASN A 73 2.791 18.919 -14.277 1.00 0.00 H new ATOM 0 HA ASN A 73 5.438 19.099 -15.197 1.00 0.00 H new ATOM 0 HB2 ASN A 73 3.995 17.061 -15.266 1.00 0.00 H new ATOM 0 HB3 ASN A 73 3.044 17.798 -16.540 1.00 0.00 H new ATOM 0 HD21 ASN A 73 5.151 16.292 -18.911 1.00 0.00 H new ATOM 0 HD22 ASN A 73 3.530 16.445 -18.226 1.00 0.00 H new ATOM 1122 N GLY A 74 5.419 20.823 -16.973 1.00 0.00 N ATOM 1123 CA GLY A 74 5.448 21.786 -18.033 1.00 0.00 C ATOM 1124 C GLY A 74 5.370 23.211 -17.527 1.00 0.00 C ATOM 1125 O GLY A 74 5.305 24.150 -18.324 1.00 0.00 O ATOM 0 H GLY A 74 6.291 20.731 -16.452 1.00 0.00 H new ATOM 0 HA2 GLY A 74 6.364 21.659 -18.610 1.00 0.00 H new ATOM 0 HA3 GLY A 74 4.616 21.599 -18.712 1.00 0.00 H new ATOM 1129 N PHE A 75 5.366 23.384 -16.214 1.00 0.00 N ATOM 1130 CA PHE A 75 5.324 24.717 -15.635 1.00 0.00 C ATOM 1131 C PHE A 75 6.693 25.386 -15.840 1.00 0.00 C ATOM 1132 O PHE A 75 7.742 24.795 -15.534 1.00 0.00 O ATOM 1133 CB PHE A 75 4.919 24.651 -14.149 1.00 0.00 C ATOM 1134 CG PHE A 75 4.599 25.978 -13.524 1.00 0.00 C ATOM 1135 CD1 PHE A 75 3.372 26.581 -13.754 1.00 0.00 C ATOM 1136 CD2 PHE A 75 5.505 26.610 -12.698 1.00 0.00 C ATOM 1137 CE1 PHE A 75 3.061 27.791 -13.172 1.00 0.00 C ATOM 1138 CE2 PHE A 75 5.201 27.824 -12.114 1.00 0.00 C ATOM 1139 CZ PHE A 75 3.978 28.412 -12.352 1.00 0.00 C ATOM 0 H PHE A 75 5.391 22.624 -15.534 1.00 0.00 H new ATOM 0 HA PHE A 75 4.567 25.322 -16.134 1.00 0.00 H new ATOM 0 HB2 PHE A 75 4.050 24.001 -14.052 1.00 0.00 H new ATOM 0 HB3 PHE A 75 5.729 24.186 -13.587 1.00 0.00 H new ATOM 0 HD1 PHE A 75 2.652 26.097 -14.397 1.00 0.00 H new ATOM 0 HD2 PHE A 75 6.463 26.150 -12.506 1.00 0.00 H new ATOM 0 HE1 PHE A 75 2.102 28.251 -13.358 1.00 0.00 H new ATOM 0 HE2 PHE A 75 5.920 28.311 -11.472 1.00 0.00 H new ATOM 0 HZ PHE A 75 3.738 29.361 -11.895 1.00 0.00 H new ATOM 1149 N LYS A 76 6.671 26.582 -16.381 1.00 0.00 N ATOM 1150 CA LYS A 76 7.868 27.287 -16.794 1.00 0.00 C ATOM 1151 C LYS A 76 8.485 28.101 -15.660 1.00 0.00 C ATOM 1152 O LYS A 76 7.881 29.067 -15.177 1.00 0.00 O ATOM 1153 CB LYS A 76 7.525 28.213 -17.975 1.00 0.00 C ATOM 1154 CG LYS A 76 8.711 28.975 -18.567 1.00 0.00 C ATOM 1155 CD LYS A 76 9.744 28.038 -19.179 1.00 0.00 C ATOM 1156 CE LYS A 76 9.185 27.244 -20.354 1.00 0.00 C ATOM 1157 NZ LYS A 76 8.776 28.110 -21.484 1.00 0.00 N1+ ATOM 0 H LYS A 76 5.810 27.102 -16.550 1.00 0.00 H new ATOM 0 HA LYS A 76 8.607 26.544 -17.093 1.00 0.00 H new ATOM 0 HB2 LYS A 76 7.066 27.616 -18.763 1.00 0.00 H new ATOM 0 HB3 LYS A 76 6.777 28.934 -17.646 1.00 0.00 H new ATOM 0 HG2 LYS A 76 8.353 29.667 -19.329 1.00 0.00 H new ATOM 0 HG3 LYS A 76 9.182 29.574 -17.788 1.00 0.00 H new ATOM 0 HD2 LYS A 76 10.604 28.618 -19.513 1.00 0.00 H new ATOM 0 HD3 LYS A 76 10.102 27.348 -18.415 1.00 0.00 H new ATOM 0 HE2 LYS A 76 9.937 26.534 -20.699 1.00 0.00 H new ATOM 0 HE3 LYS A 76 8.327 26.661 -20.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 8.548 27.519 -22.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 7.938 28.663 -21.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 9.554 28.756 -21.726 1.00 0.00 H new ATOM 1171 N ILE A 77 9.687 27.721 -15.261 1.00 0.00 N ATOM 1172 CA ILE A 77 10.425 28.433 -14.239 1.00 0.00 C ATOM 1173 C ILE A 77 11.889 28.587 -14.677 1.00 0.00 C ATOM 1174 O ILE A 77 12.636 27.606 -14.738 1.00 0.00 O ATOM 1175 CB ILE A 77 10.396 27.721 -12.841 1.00 0.00 C ATOM 1176 CG1 ILE A 77 8.955 27.458 -12.381 1.00 0.00 C ATOM 1177 CG2 ILE A 77 11.117 28.585 -11.797 1.00 0.00 C ATOM 1178 CD1 ILE A 77 8.847 26.721 -11.060 1.00 0.00 C ATOM 0 H ILE A 77 10.176 26.910 -15.638 1.00 0.00 H new ATOM 0 HA ILE A 77 9.938 29.401 -14.124 1.00 0.00 H new ATOM 0 HB ILE A 77 10.906 26.763 -12.942 1.00 0.00 H new ATOM 0 HG12 ILE A 77 8.433 28.411 -12.296 1.00 0.00 H new ATOM 0 HG13 ILE A 77 8.440 26.881 -13.149 1.00 0.00 H new ATOM 0 HG21 ILE A 77 11.092 28.083 -10.830 1.00 0.00 H new ATOM 0 HG22 ILE A 77 12.153 28.735 -12.101 1.00 0.00 H new ATOM 0 HG23 ILE A 77 10.619 29.551 -11.718 1.00 0.00 H new ATOM 0 HD11 ILE A 77 7.796 26.576 -10.809 1.00 0.00 H new ATOM 0 HD12 ILE A 77 9.337 25.751 -11.143 1.00 0.00 H new ATOM 0 HD13 ILE A 77 9.330 27.305 -10.277 1.00 0.00 H new ATOM 1190 N GLY A 78 12.262 29.799 -15.032 1.00 0.00 N ATOM 1191 CA GLY A 78 13.638 30.119 -15.348 1.00 0.00 C ATOM 1192 C GLY A 78 14.119 29.537 -16.654 1.00 0.00 C ATOM 1193 O GLY A 78 15.172 28.904 -16.715 1.00 0.00 O ATOM 0 H GLY A 78 11.621 30.589 -15.109 1.00 0.00 H new ATOM 0 HA2 GLY A 78 13.750 31.203 -15.382 1.00 0.00 H new ATOM 0 HA3 GLY A 78 14.278 29.758 -14.543 1.00 0.00 H new ATOM 1197 N GLY A 79 13.340 29.729 -17.695 1.00 0.00 N ATOM 1198 CA GLY A 79 13.734 29.302 -19.026 1.00 0.00 C ATOM 1199 C GLY A 79 13.412 27.857 -19.329 1.00 0.00 C ATOM 1200 O GLY A 79 13.353 27.462 -20.493 1.00 0.00 O ATOM 0 H GLY A 79 12.426 30.179 -17.649 1.00 0.00 H new ATOM 0 HA2 GLY A 79 13.238 29.936 -19.761 1.00 0.00 H new ATOM 0 HA3 GLY A 79 14.807 29.457 -19.143 1.00 0.00 H new ATOM 1204 N ARG A 80 13.182 27.080 -18.313 1.00 0.00 N ATOM 1205 CA ARG A 80 12.899 25.674 -18.481 1.00 0.00 C ATOM 1206 C ARG A 80 11.609 25.297 -17.807 1.00 0.00 C ATOM 1207 O ARG A 80 11.172 25.961 -16.869 1.00 0.00 O ATOM 1208 CB ARG A 80 14.066 24.809 -17.984 1.00 0.00 C ATOM 1209 CG ARG A 80 14.663 25.271 -16.667 1.00 0.00 C ATOM 1210 CD ARG A 80 15.715 24.307 -16.132 1.00 0.00 C ATOM 1211 NE ARG A 80 16.685 23.859 -17.155 1.00 0.00 N ATOM 1212 CZ ARG A 80 17.970 24.255 -17.244 1.00 0.00 C ATOM 1213 NH1 ARG A 80 18.402 25.290 -16.548 1.00 0.00 N1+ ATOM 1214 NH2 ARG A 80 18.803 23.636 -18.076 1.00 0.00 N ATOM 0 H ARG A 80 13.184 27.396 -17.343 1.00 0.00 H new ATOM 0 HA ARG A 80 12.781 25.482 -19.548 1.00 0.00 H new ATOM 0 HB2 ARG A 80 13.721 23.781 -17.873 1.00 0.00 H new ATOM 0 HB3 ARG A 80 14.848 24.803 -18.743 1.00 0.00 H new ATOM 0 HG2 ARG A 80 15.112 26.255 -16.801 1.00 0.00 H new ATOM 0 HG3 ARG A 80 13.867 25.381 -15.930 1.00 0.00 H new ATOM 0 HD2 ARG A 80 16.256 24.789 -15.317 1.00 0.00 H new ATOM 0 HD3 ARG A 80 15.215 23.435 -15.711 1.00 0.00 H new ATOM 0 HE ARG A 80 16.353 23.193 -17.853 1.00 0.00 H new ATOM 0 HH11 ARG A 80 17.762 25.797 -15.937 1.00 0.00 H new ATOM 0 HH12 ARG A 80 19.376 25.583 -16.621 1.00 0.00 H new ATOM 0 HH21 ARG A 80 18.469 22.860 -18.648 1.00 0.00 H new ATOM 0 HH22 ARG A 80 19.775 23.937 -18.142 1.00 0.00 H new ATOM 1228 N ALA A 81 10.973 24.287 -18.317 1.00 0.00 N ATOM 1229 CA ALA A 81 9.746 23.809 -17.752 1.00 0.00 C ATOM 1230 C ALA A 81 10.027 22.539 -16.996 1.00 0.00 C ATOM 1231 O ALA A 81 10.614 21.600 -17.553 1.00 0.00 O ATOM 1232 CB ALA A 81 8.714 23.579 -18.840 1.00 0.00 C ATOM 0 H ALA A 81 11.289 23.770 -19.137 1.00 0.00 H new ATOM 0 HA ALA A 81 9.338 24.553 -17.068 1.00 0.00 H new ATOM 0 HB1 ALA A 81 7.789 23.216 -18.393 1.00 0.00 H new ATOM 0 HB2 ALA A 81 8.521 24.516 -19.363 1.00 0.00 H new ATOM 0 HB3 ALA A 81 9.090 22.839 -19.547 1.00 0.00 H new ATOM 1238 N LEU A 82 9.643 22.504 -15.754 1.00 0.00 N ATOM 1239 CA LEU A 82 9.929 21.365 -14.923 1.00 0.00 C ATOM 1240 C LEU A 82 9.092 20.132 -15.278 1.00 0.00 C ATOM 1241 O LEU A 82 7.920 20.230 -15.690 1.00 0.00 O ATOM 1242 CB LEU A 82 9.943 21.724 -13.413 1.00 0.00 C ATOM 1243 CG LEU A 82 8.757 22.527 -12.837 1.00 0.00 C ATOM 1244 CD1 LEU A 82 7.490 21.715 -12.798 1.00 0.00 C ATOM 1245 CD2 LEU A 82 9.092 23.041 -11.451 1.00 0.00 C ATOM 0 H LEU A 82 9.129 23.253 -15.290 1.00 0.00 H new ATOM 0 HA LEU A 82 10.951 21.062 -15.150 1.00 0.00 H new ATOM 0 HB2 LEU A 82 10.017 20.793 -12.851 1.00 0.00 H new ATOM 0 HB3 LEU A 82 10.854 22.289 -13.215 1.00 0.00 H new ATOM 0 HG LEU A 82 8.584 23.373 -13.503 1.00 0.00 H new ATOM 0 HD11 LEU A 82 6.683 22.320 -12.386 1.00 0.00 H new ATOM 0 HD12 LEU A 82 7.228 21.400 -13.808 1.00 0.00 H new ATOM 0 HD13 LEU A 82 7.641 20.836 -12.172 1.00 0.00 H new ATOM 0 HD21 LEU A 82 8.246 23.605 -11.058 1.00 0.00 H new ATOM 0 HD22 LEU A 82 9.304 22.199 -10.792 1.00 0.00 H new ATOM 0 HD23 LEU A 82 9.967 23.689 -11.505 1.00 0.00 H new ATOM 1257 N LYS A 83 9.722 19.005 -15.157 1.00 0.00 N ATOM 1258 CA LYS A 83 9.169 17.718 -15.500 1.00 0.00 C ATOM 1259 C LYS A 83 8.911 16.907 -14.249 1.00 0.00 C ATOM 1260 O LYS A 83 9.767 16.823 -13.386 1.00 0.00 O ATOM 1261 CB LYS A 83 10.180 17.003 -16.433 1.00 0.00 C ATOM 1262 CG LYS A 83 10.074 15.472 -16.545 1.00 0.00 C ATOM 1263 CD LYS A 83 8.725 14.972 -17.041 1.00 0.00 C ATOM 1264 CE LYS A 83 8.722 13.447 -17.078 1.00 0.00 C ATOM 1265 NZ LYS A 83 7.361 12.881 -17.195 1.00 0.00 N1+ ATOM 0 H LYS A 83 10.677 18.947 -14.802 1.00 0.00 H new ATOM 0 HA LYS A 83 8.213 17.834 -16.011 1.00 0.00 H new ATOM 0 HB2 LYS A 83 10.072 17.423 -17.433 1.00 0.00 H new ATOM 0 HB3 LYS A 83 11.186 17.248 -16.092 1.00 0.00 H new ATOM 0 HG2 LYS A 83 10.851 15.114 -17.220 1.00 0.00 H new ATOM 0 HG3 LYS A 83 10.274 15.033 -15.567 1.00 0.00 H new ATOM 0 HD2 LYS A 83 7.931 15.331 -16.386 1.00 0.00 H new ATOM 0 HD3 LYS A 83 8.523 15.370 -18.035 1.00 0.00 H new ATOM 0 HE2 LYS A 83 9.326 13.107 -17.919 1.00 0.00 H new ATOM 0 HE3 LYS A 83 9.193 13.065 -16.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 7.416 11.842 -17.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 6.784 13.194 -16.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 6.924 13.208 -18.081 1.00 0.00 H new ATOM 1279 N ILE A 84 7.738 16.327 -14.149 1.00 0.00 N ATOM 1280 CA ILE A 84 7.435 15.457 -13.038 1.00 0.00 C ATOM 1281 C ILE A 84 7.023 14.085 -13.597 1.00 0.00 C ATOM 1282 O ILE A 84 6.466 14.006 -14.710 1.00 0.00 O ATOM 1283 CB ILE A 84 6.313 16.001 -12.057 1.00 0.00 C ATOM 1284 CG1 ILE A 84 6.552 17.441 -11.605 1.00 0.00 C ATOM 1285 CG2 ILE A 84 6.217 15.147 -10.814 1.00 0.00 C ATOM 1286 CD1 ILE A 84 6.045 18.465 -12.562 1.00 0.00 C ATOM 0 H ILE A 84 6.980 16.442 -14.822 1.00 0.00 H new ATOM 0 HA ILE A 84 8.338 15.394 -12.430 1.00 0.00 H new ATOM 0 HB ILE A 84 5.389 15.961 -12.634 1.00 0.00 H new ATOM 0 HG12 ILE A 84 6.073 17.592 -10.638 1.00 0.00 H new ATOM 0 HG13 ILE A 84 7.621 17.593 -11.458 1.00 0.00 H new ATOM 0 HG21 ILE A 84 5.440 15.543 -10.160 1.00 0.00 H new ATOM 0 HG22 ILE A 84 5.969 14.123 -11.094 1.00 0.00 H new ATOM 0 HG23 ILE A 84 7.173 15.158 -10.290 1.00 0.00 H new ATOM 0 HD11 ILE A 84 6.251 19.462 -12.172 1.00 0.00 H new ATOM 0 HD12 ILE A 84 6.542 18.342 -13.524 1.00 0.00 H new ATOM 0 HD13 ILE A 84 4.970 18.341 -12.691 1.00 0.00 H new ATOM 1298 N ASP A 85 7.340 13.026 -12.881 1.00 0.00 N ATOM 1299 CA ASP A 85 6.985 11.657 -13.270 1.00 0.00 C ATOM 1300 C ASP A 85 6.945 10.836 -11.981 1.00 0.00 C ATOM 1301 O ASP A 85 7.188 11.391 -10.936 1.00 0.00 O ATOM 1302 CB ASP A 85 8.050 11.093 -14.222 1.00 0.00 C ATOM 1303 CG ASP A 85 7.525 10.013 -15.143 1.00 0.00 C ATOM 1304 OD1 ASP A 85 7.221 8.900 -14.683 1.00 0.00 O1- ATOM 1305 OD2 ASP A 85 7.402 10.277 -16.371 1.00 0.00 O ATOM 0 H ASP A 85 7.856 13.081 -12.003 1.00 0.00 H new ATOM 0 HA ASP A 85 6.025 11.626 -13.786 1.00 0.00 H new ATOM 0 HB2 ASP A 85 8.456 11.907 -14.823 1.00 0.00 H new ATOM 0 HB3 ASP A 85 8.874 10.689 -13.634 1.00 0.00 H new ATOM 1310 N HIS A 86 6.686 9.555 -12.042 1.00 0.00 N ATOM 1311 CA HIS A 86 6.639 8.722 -10.822 1.00 0.00 C ATOM 1312 C HIS A 86 7.882 7.868 -10.698 1.00 0.00 C ATOM 1313 O HIS A 86 8.270 7.191 -11.645 1.00 0.00 O ATOM 1314 CB HIS A 86 5.393 7.837 -10.766 1.00 0.00 C ATOM 1315 CG HIS A 86 4.144 8.514 -10.290 1.00 0.00 C ATOM 1316 ND1 HIS A 86 3.611 8.324 -9.030 1.00 0.00 N ATOM 1317 CD2 HIS A 86 3.292 9.353 -10.929 1.00 0.00 C ATOM 1318 CE1 HIS A 86 2.484 9.030 -8.949 1.00 0.00 C ATOM 1319 NE2 HIS A 86 2.241 9.673 -10.071 1.00 0.00 N ATOM 0 H HIS A 86 6.502 9.049 -12.908 1.00 0.00 H new ATOM 0 HA HIS A 86 6.593 9.412 -9.980 1.00 0.00 H new ATOM 0 HB2 HIS A 86 5.210 7.433 -11.762 1.00 0.00 H new ATOM 0 HB3 HIS A 86 5.599 6.990 -10.111 1.00 0.00 H new ATOM 0 HD1 HIS A 86 4.010 7.745 -8.291 1.00 0.00 H new ATOM 0 HD2 HIS A 86 3.409 9.715 -11.940 1.00 0.00 H new ATOM 0 HE1 HIS A 86 1.851 9.069 -8.075 1.00 0.00 H new ATOM 1327 N THR A 87 8.499 7.885 -9.535 1.00 0.00 N ATOM 1328 CA THR A 87 9.736 7.174 -9.316 1.00 0.00 C ATOM 1329 C THR A 87 9.847 6.752 -7.846 1.00 0.00 C ATOM 1330 O THR A 87 9.124 7.260 -6.993 1.00 0.00 O ATOM 1331 CB THR A 87 10.961 8.060 -9.703 1.00 0.00 C ATOM 1332 OG1 THR A 87 12.174 7.296 -9.655 1.00 0.00 O ATOM 1333 CG2 THR A 87 11.092 9.237 -8.751 1.00 0.00 C ATOM 0 H THR A 87 8.156 8.391 -8.718 1.00 0.00 H new ATOM 0 HA THR A 87 9.736 6.286 -9.948 1.00 0.00 H new ATOM 0 HB THR A 87 10.797 8.424 -10.717 1.00 0.00 H new ATOM 0 HG1 THR A 87 12.931 7.868 -9.902 1.00 0.00 H new ATOM 0 HG21 THR A 87 11.952 9.843 -9.037 1.00 0.00 H new ATOM 0 HG22 THR A 87 10.188 9.845 -8.797 1.00 0.00 H new ATOM 0 HG23 THR A 87 11.230 8.869 -7.734 1.00 0.00 H new ATOM 1341 N PHE A 88 10.693 5.810 -7.566 1.00 0.00 N ATOM 1342 CA PHE A 88 10.961 5.427 -6.221 1.00 0.00 C ATOM 1343 C PHE A 88 12.439 5.195 -6.092 1.00 0.00 C ATOM 1344 O PHE A 88 13.074 4.725 -7.032 1.00 0.00 O ATOM 1345 CB PHE A 88 10.173 4.178 -5.815 1.00 0.00 C ATOM 1346 CG PHE A 88 10.327 3.823 -4.360 1.00 0.00 C ATOM 1347 CD1 PHE A 88 9.754 4.621 -3.385 1.00 0.00 C ATOM 1348 CD2 PHE A 88 11.042 2.702 -3.968 1.00 0.00 C ATOM 1349 CE1 PHE A 88 9.890 4.315 -2.048 1.00 0.00 C ATOM 1350 CE2 PHE A 88 11.179 2.388 -2.631 1.00 0.00 C ATOM 1351 CZ PHE A 88 10.603 3.198 -1.670 1.00 0.00 C ATOM 0 H PHE A 88 11.217 5.286 -8.267 1.00 0.00 H new ATOM 0 HA PHE A 88 10.642 6.222 -5.548 1.00 0.00 H new ATOM 0 HB2 PHE A 88 9.117 4.336 -6.033 1.00 0.00 H new ATOM 0 HB3 PHE A 88 10.502 3.336 -6.424 1.00 0.00 H new ATOM 0 HD1 PHE A 88 9.192 5.496 -3.676 1.00 0.00 H new ATOM 0 HD2 PHE A 88 11.496 2.069 -4.716 1.00 0.00 H new ATOM 0 HE1 PHE A 88 9.439 4.949 -1.299 1.00 0.00 H new ATOM 0 HE2 PHE A 88 11.735 1.511 -2.336 1.00 0.00 H new ATOM 0 HZ PHE A 88 10.712 2.955 -0.623 1.00 0.00 H new ATOM 1361 N TYR A 89 12.982 5.542 -4.967 1.00 0.00 N ATOM 1362 CA TYR A 89 14.380 5.379 -4.706 1.00 0.00 C ATOM 1363 C TYR A 89 14.501 4.838 -3.302 1.00 0.00 C ATOM 1364 O TYR A 89 13.543 4.937 -2.521 1.00 0.00 O ATOM 1365 CB TYR A 89 15.139 6.734 -4.828 1.00 0.00 C ATOM 1366 CG TYR A 89 14.857 7.707 -3.691 1.00 0.00 C ATOM 1367 CD1 TYR A 89 13.680 8.436 -3.640 1.00 0.00 C ATOM 1368 CD2 TYR A 89 15.764 7.857 -2.650 1.00 0.00 C ATOM 1369 CE1 TYR A 89 13.420 9.285 -2.590 1.00 0.00 C ATOM 1370 CE2 TYR A 89 15.504 8.696 -1.594 1.00 0.00 C ATOM 1371 CZ TYR A 89 14.334 9.409 -1.565 1.00 0.00 C ATOM 1372 OH TYR A 89 14.064 10.235 -0.501 1.00 0.00 O ATOM 0 H TYR A 89 12.460 5.952 -4.193 1.00 0.00 H new ATOM 0 HA TYR A 89 14.825 4.700 -5.433 1.00 0.00 H new ATOM 0 HB2 TYR A 89 16.210 6.536 -4.866 1.00 0.00 H new ATOM 0 HB3 TYR A 89 14.868 7.206 -5.772 1.00 0.00 H new ATOM 0 HD1 TYR A 89 12.957 8.336 -4.436 1.00 0.00 H new ATOM 0 HD2 TYR A 89 16.691 7.304 -2.671 1.00 0.00 H new ATOM 0 HE1 TYR A 89 12.502 9.853 -2.568 1.00 0.00 H new ATOM 0 HE2 TYR A 89 16.219 8.793 -0.790 1.00 0.00 H new ATOM 0 HH TYR A 89 14.901 10.469 -0.048 1.00 0.00 H new ATOM 1382 N ARG A 90 15.613 4.256 -2.980 1.00 0.00 N ATOM 1383 CA ARG A 90 15.829 3.776 -1.639 1.00 0.00 C ATOM 1384 C ARG A 90 16.540 4.844 -0.830 1.00 0.00 C ATOM 1385 O ARG A 90 17.633 5.266 -1.203 1.00 0.00 O ATOM 1386 CB ARG A 90 16.641 2.480 -1.629 1.00 0.00 C ATOM 1387 CG ARG A 90 15.982 1.324 -2.371 1.00 0.00 C ATOM 1388 CD ARG A 90 14.628 0.980 -1.765 1.00 0.00 C ATOM 1389 NE ARG A 90 14.742 0.567 -0.353 1.00 0.00 N ATOM 1390 CZ ARG A 90 13.891 0.917 0.631 1.00 0.00 C ATOM 1391 NH1 ARG A 90 12.876 1.746 0.379 1.00 0.00 N1+ ATOM 1392 NH2 ARG A 90 14.060 0.435 1.856 1.00 0.00 N ATOM 0 H ARG A 90 16.389 4.099 -3.623 1.00 0.00 H new ATOM 0 HA ARG A 90 14.859 3.559 -1.193 1.00 0.00 H new ATOM 0 HB2 ARG A 90 17.617 2.673 -2.074 1.00 0.00 H new ATOM 0 HB3 ARG A 90 16.815 2.181 -0.595 1.00 0.00 H new ATOM 0 HG2 ARG A 90 15.857 1.587 -3.421 1.00 0.00 H new ATOM 0 HG3 ARG A 90 16.631 0.449 -2.337 1.00 0.00 H new ATOM 0 HD2 ARG A 90 13.968 1.845 -1.837 1.00 0.00 H new ATOM 0 HD3 ARG A 90 14.166 0.178 -2.341 1.00 0.00 H new ATOM 0 HE ARG A 90 15.529 -0.032 -0.102 1.00 0.00 H new ATOM 0 HH11 ARG A 90 12.742 2.117 -0.562 1.00 0.00 H new ATOM 0 HH12 ARG A 90 12.234 2.008 1.127 1.00 0.00 H new ATOM 0 HH21 ARG A 90 14.834 -0.200 2.052 1.00 0.00 H new ATOM 0 HH22 ARG A 90 13.416 0.700 2.601 1.00 0.00 H new ATOM 1406 N PRO A 91 15.898 5.336 0.249 1.00 0.00 N ATOM 1407 CA PRO A 91 16.485 6.335 1.152 1.00 0.00 C ATOM 1408 C PRO A 91 17.874 5.916 1.628 1.00 0.00 C ATOM 1409 O PRO A 91 18.051 4.822 2.200 1.00 0.00 O ATOM 1410 CB PRO A 91 15.511 6.358 2.333 1.00 0.00 C ATOM 1411 CG PRO A 91 14.211 5.933 1.759 1.00 0.00 C ATOM 1412 CD PRO A 91 14.534 4.965 0.659 1.00 0.00 C ATOM 0 HA PRO A 91 16.615 7.303 0.669 1.00 0.00 H new ATOM 0 HB2 PRO A 91 15.834 5.682 3.125 1.00 0.00 H new ATOM 0 HB3 PRO A 91 15.444 7.354 2.771 1.00 0.00 H new ATOM 0 HG2 PRO A 91 13.585 5.464 2.518 1.00 0.00 H new ATOM 0 HG3 PRO A 91 13.657 6.789 1.374 1.00 0.00 H new ATOM 0 HD2 PRO A 91 14.489 3.934 1.009 1.00 0.00 H new ATOM 0 HD3 PRO A 91 13.830 5.052 -0.169 1.00 0.00 H new ATOM 1420 N LYS A 92 18.846 6.758 1.369 1.00 0.00 N ATOM 1421 CA LYS A 92 20.216 6.474 1.716 1.00 0.00 C ATOM 1422 C LYS A 92 20.430 6.601 3.223 1.00 0.00 C ATOM 1423 O LYS A 92 19.953 7.544 3.851 1.00 0.00 O ATOM 1424 CB LYS A 92 21.148 7.460 1.006 1.00 0.00 C ATOM 1425 CG LYS A 92 21.052 7.467 -0.514 1.00 0.00 C ATOM 1426 CD LYS A 92 21.985 8.516 -1.128 1.00 0.00 C ATOM 1427 CE LYS A 92 23.450 8.203 -0.852 1.00 0.00 C ATOM 1428 NZ LYS A 92 24.372 9.191 -1.451 1.00 0.00 N1+ ATOM 0 H LYS A 92 18.708 7.659 0.912 1.00 0.00 H new ATOM 0 HA LYS A 92 20.439 5.454 1.404 1.00 0.00 H new ATOM 0 HB2 LYS A 92 20.934 8.464 1.372 1.00 0.00 H new ATOM 0 HB3 LYS A 92 22.176 7.230 1.288 1.00 0.00 H new ATOM 0 HG2 LYS A 92 21.307 6.480 -0.901 1.00 0.00 H new ATOM 0 HG3 LYS A 92 20.024 7.671 -0.814 1.00 0.00 H new ATOM 0 HD2 LYS A 92 21.820 8.563 -2.204 1.00 0.00 H new ATOM 0 HD3 LYS A 92 21.741 9.499 -0.725 1.00 0.00 H new ATOM 0 HE2 LYS A 92 23.612 8.169 0.225 1.00 0.00 H new ATOM 0 HE3 LYS A 92 23.684 7.212 -1.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 25.335 8.799 -1.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 24.066 9.408 -2.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 24.364 10.062 -0.883 1.00 0.00 H new ATOM 1442 N ARG A 93 21.190 5.685 3.773 1.00 0.00 N ATOM 1443 CA ARG A 93 21.548 5.685 5.191 1.00 0.00 C ATOM 1444 C ARG A 93 22.564 6.795 5.450 1.00 0.00 C ATOM 1445 O ARG A 93 22.605 7.399 6.521 1.00 0.00 O ATOM 1446 CB ARG A 93 22.104 4.292 5.557 1.00 0.00 C ATOM 1447 CG ARG A 93 22.768 4.118 6.919 1.00 0.00 C ATOM 1448 CD ARG A 93 21.782 4.240 8.050 1.00 0.00 C ATOM 1449 NE ARG A 93 20.677 3.282 7.945 1.00 0.00 N ATOM 1450 CZ ARG A 93 19.441 3.512 8.382 1.00 0.00 C ATOM 1451 NH1 ARG A 93 19.151 4.672 8.947 1.00 0.00 N1+ ATOM 1452 NH2 ARG A 93 18.502 2.585 8.240 1.00 0.00 N ATOM 0 H ARG A 93 21.588 4.904 3.251 1.00 0.00 H new ATOM 0 HA ARG A 93 20.678 5.880 5.818 1.00 0.00 H new ATOM 0 HB2 ARG A 93 21.283 3.578 5.493 1.00 0.00 H new ATOM 0 HB3 ARG A 93 22.830 4.012 4.794 1.00 0.00 H new ATOM 0 HG2 ARG A 93 23.251 3.142 6.964 1.00 0.00 H new ATOM 0 HG3 ARG A 93 23.551 4.867 7.039 1.00 0.00 H new ATOM 0 HD2 ARG A 93 22.301 4.087 8.996 1.00 0.00 H new ATOM 0 HD3 ARG A 93 21.379 5.253 8.067 1.00 0.00 H new ATOM 0 HE ARG A 93 20.868 2.380 7.508 1.00 0.00 H new ATOM 0 HH11 ARG A 93 19.873 5.386 9.046 1.00 0.00 H new ATOM 0 HH12 ARG A 93 18.205 4.853 9.283 1.00 0.00 H new ATOM 0 HH21 ARG A 93 18.727 1.695 7.796 1.00 0.00 H new ATOM 0 HH22 ARG A 93 17.555 2.763 8.575 1.00 0.00 H new ATOM 1466 N SER A 94 23.340 7.086 4.437 1.00 0.00 N ATOM 1467 CA SER A 94 24.331 8.133 4.496 1.00 0.00 C ATOM 1468 C SER A 94 23.679 9.518 4.417 1.00 0.00 C ATOM 1469 O SER A 94 24.240 10.507 4.884 1.00 0.00 O ATOM 1470 CB SER A 94 25.298 7.949 3.334 1.00 0.00 C ATOM 1471 OG SER A 94 25.830 6.627 3.332 1.00 0.00 O ATOM 0 H SER A 94 23.302 6.600 3.541 1.00 0.00 H new ATOM 0 HA SER A 94 24.861 8.070 5.446 1.00 0.00 H new ATOM 0 HB2 SER A 94 24.785 8.142 2.392 1.00 0.00 H new ATOM 0 HB3 SER A 94 26.109 8.674 3.410 1.00 0.00 H new ATOM 0 HG SER A 94 26.448 6.524 2.578 1.00 0.00 H new ATOM 1477 N LEU A 95 22.497 9.578 3.841 1.00 0.00 N ATOM 1478 CA LEU A 95 21.827 10.844 3.616 1.00 0.00 C ATOM 1479 C LEU A 95 20.592 10.960 4.507 1.00 0.00 C ATOM 1480 O LEU A 95 19.784 11.883 4.354 1.00 0.00 O ATOM 1481 CB LEU A 95 21.415 10.920 2.151 1.00 0.00 C ATOM 1482 CG LEU A 95 21.037 12.289 1.592 1.00 0.00 C ATOM 1483 CD1 LEU A 95 22.182 13.256 1.770 1.00 0.00 C ATOM 1484 CD2 LEU A 95 20.685 12.160 0.123 1.00 0.00 C ATOM 0 H LEU A 95 21.977 8.762 3.518 1.00 0.00 H new ATOM 0 HA LEU A 95 22.503 11.663 3.860 1.00 0.00 H new ATOM 0 HB2 LEU A 95 22.236 10.527 1.551 1.00 0.00 H new ATOM 0 HB3 LEU A 95 20.566 10.252 2.006 1.00 0.00 H new ATOM 0 HG LEU A 95 20.172 12.671 2.134 1.00 0.00 H new ATOM 0 HD11 LEU A 95 21.902 14.230 1.368 1.00 0.00 H new ATOM 0 HD12 LEU A 95 22.414 13.354 2.831 1.00 0.00 H new ATOM 0 HD13 LEU A 95 23.059 12.883 1.240 1.00 0.00 H new ATOM 0 HD21 LEU A 95 20.415 13.139 -0.274 1.00 0.00 H new ATOM 0 HD22 LEU A 95 21.544 11.771 -0.424 1.00 0.00 H new ATOM 0 HD23 LEU A 95 19.843 11.478 0.009 1.00 0.00 H new ATOM 1496 N GLN A 96 20.481 10.055 5.467 1.00 0.00 N ATOM 1497 CA GLN A 96 19.266 9.922 6.268 1.00 0.00 C ATOM 1498 C GLN A 96 18.908 11.201 7.033 1.00 0.00 C ATOM 1499 O GLN A 96 17.733 11.564 7.132 1.00 0.00 O ATOM 1500 CB GLN A 96 19.345 8.723 7.209 1.00 0.00 C ATOM 1501 CG GLN A 96 20.208 8.927 8.434 1.00 0.00 C ATOM 1502 CD GLN A 96 20.219 7.716 9.300 1.00 0.00 C ATOM 1503 OE1 GLN A 96 21.081 6.875 9.194 1.00 0.00 O ATOM 1504 NE2 GLN A 96 19.216 7.565 10.085 1.00 0.00 N ATOM 0 H GLN A 96 21.220 9.397 5.714 1.00 0.00 H new ATOM 0 HA GLN A 96 18.456 9.748 5.560 1.00 0.00 H new ATOM 0 HB2 GLN A 96 18.336 8.467 7.533 1.00 0.00 H new ATOM 0 HB3 GLN A 96 19.728 7.868 6.652 1.00 0.00 H new ATOM 0 HG2 GLN A 96 21.226 9.166 8.128 1.00 0.00 H new ATOM 0 HG3 GLN A 96 19.838 9.780 9.003 1.00 0.00 H new ATOM 0 HE21 GLN A 96 18.506 8.294 10.151 1.00 0.00 H new ATOM 0 HE22 GLN A 96 19.129 6.716 10.643 1.00 0.00 H new ATOM 1513 N LYS A 97 19.933 11.910 7.514 1.00 0.00 N ATOM 1514 CA LYS A 97 19.727 13.126 8.285 1.00 0.00 C ATOM 1515 C LYS A 97 19.092 14.214 7.441 1.00 0.00 C ATOM 1516 O LYS A 97 18.321 15.007 7.944 1.00 0.00 O ATOM 1517 CB LYS A 97 21.031 13.625 8.925 1.00 0.00 C ATOM 1518 CG LYS A 97 21.643 12.681 9.962 1.00 0.00 C ATOM 1519 CD LYS A 97 20.716 12.445 11.160 1.00 0.00 C ATOM 1520 CE LYS A 97 20.391 13.744 11.901 1.00 0.00 C ATOM 1521 NZ LYS A 97 19.544 13.502 13.082 1.00 0.00 N1+ ATOM 0 H LYS A 97 20.912 11.658 7.380 1.00 0.00 H new ATOM 0 HA LYS A 97 19.038 12.877 9.092 1.00 0.00 H new ATOM 0 HB2 LYS A 97 21.763 13.798 8.136 1.00 0.00 H new ATOM 0 HB3 LYS A 97 20.840 14.588 9.399 1.00 0.00 H new ATOM 0 HG2 LYS A 97 21.871 11.726 9.489 1.00 0.00 H new ATOM 0 HG3 LYS A 97 22.588 13.096 10.314 1.00 0.00 H new ATOM 0 HD2 LYS A 97 19.791 11.983 10.816 1.00 0.00 H new ATOM 0 HD3 LYS A 97 21.186 11.743 11.849 1.00 0.00 H new ATOM 0 HE2 LYS A 97 21.317 14.227 12.211 1.00 0.00 H new ATOM 0 HE3 LYS A 97 19.884 14.432 11.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 19.373 14.401 13.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 18.636 13.095 12.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 20.024 12.839 13.724 1.00 0.00 H new ATOM 1535 N TYR A 98 19.388 14.218 6.149 1.00 0.00 N ATOM 1536 CA TYR A 98 18.820 15.188 5.251 1.00 0.00 C ATOM 1537 C TYR A 98 17.322 14.905 5.061 1.00 0.00 C ATOM 1538 O TYR A 98 16.517 15.824 5.064 1.00 0.00 O ATOM 1539 CB TYR A 98 19.614 15.195 3.915 1.00 0.00 C ATOM 1540 CG TYR A 98 19.022 16.023 2.784 1.00 0.00 C ATOM 1541 CD1 TYR A 98 18.982 17.407 2.842 1.00 0.00 C ATOM 1542 CD2 TYR A 98 18.519 15.407 1.647 1.00 0.00 C ATOM 1543 CE1 TYR A 98 18.446 18.153 1.805 1.00 0.00 C ATOM 1544 CE2 TYR A 98 17.987 16.145 0.608 1.00 0.00 C ATOM 1545 CZ TYR A 98 17.948 17.515 0.692 1.00 0.00 C ATOM 1546 OH TYR A 98 17.403 18.248 -0.344 1.00 0.00 O ATOM 0 H TYR A 98 20.022 13.553 5.707 1.00 0.00 H new ATOM 0 HA TYR A 98 18.901 16.190 5.672 1.00 0.00 H new ATOM 0 HB2 TYR A 98 20.620 15.562 4.117 1.00 0.00 H new ATOM 0 HB3 TYR A 98 19.713 14.166 3.570 1.00 0.00 H new ATOM 0 HD1 TYR A 98 19.376 17.913 3.711 1.00 0.00 H new ATOM 0 HD2 TYR A 98 18.544 14.330 1.573 1.00 0.00 H new ATOM 0 HE1 TYR A 98 18.419 19.231 1.870 1.00 0.00 H new ATOM 0 HE2 TYR A 98 17.602 15.646 -0.269 1.00 0.00 H new ATOM 0 HH TYR A 98 17.817 19.136 -0.370 1.00 0.00 H new ATOM 1556 N TYR A 99 16.955 13.619 4.999 1.00 0.00 N ATOM 1557 CA TYR A 99 15.549 13.224 4.800 1.00 0.00 C ATOM 1558 C TYR A 99 14.716 13.613 5.997 1.00 0.00 C ATOM 1559 O TYR A 99 13.657 14.252 5.864 1.00 0.00 O ATOM 1560 CB TYR A 99 15.390 11.712 4.601 1.00 0.00 C ATOM 1561 CG TYR A 99 16.173 11.121 3.469 1.00 0.00 C ATOM 1562 CD1 TYR A 99 16.175 11.700 2.220 1.00 0.00 C ATOM 1563 CD2 TYR A 99 16.891 9.965 3.655 1.00 0.00 C ATOM 1564 CE1 TYR A 99 16.886 11.142 1.176 1.00 0.00 C ATOM 1565 CE2 TYR A 99 17.602 9.403 2.631 1.00 0.00 C ATOM 1566 CZ TYR A 99 17.600 9.989 1.394 1.00 0.00 C ATOM 1567 OH TYR A 99 18.317 9.412 0.367 1.00 0.00 O ATOM 0 H TYR A 99 17.604 12.837 5.083 1.00 0.00 H new ATOM 0 HA TYR A 99 15.213 13.742 3.902 1.00 0.00 H new ATOM 0 HB2 TYR A 99 15.683 11.210 5.523 1.00 0.00 H new ATOM 0 HB3 TYR A 99 14.334 11.494 4.441 1.00 0.00 H new ATOM 0 HD1 TYR A 99 15.611 12.606 2.054 1.00 0.00 H new ATOM 0 HD2 TYR A 99 16.894 9.492 4.626 1.00 0.00 H new ATOM 0 HE1 TYR A 99 16.881 11.606 0.201 1.00 0.00 H new ATOM 0 HE2 TYR A 99 18.165 8.497 2.798 1.00 0.00 H new ATOM 0 HH TYR A 99 18.211 9.947 -0.447 1.00 0.00 H new ATOM 1577 N GLU A 100 15.189 13.228 7.175 1.00 0.00 N ATOM 1578 CA GLU A 100 14.472 13.510 8.391 1.00 0.00 C ATOM 1579 C GLU A 100 14.371 15.003 8.658 1.00 0.00 C ATOM 1580 O GLU A 100 13.306 15.485 8.979 1.00 0.00 O ATOM 1581 CB GLU A 100 14.998 12.707 9.605 1.00 0.00 C ATOM 1582 CG GLU A 100 16.499 12.781 9.846 1.00 0.00 C ATOM 1583 CD GLU A 100 16.932 11.977 11.044 1.00 0.00 C ATOM 1584 OE1 GLU A 100 16.952 10.735 10.965 1.00 0.00 O1- ATOM 1585 OE2 GLU A 100 17.258 12.560 12.092 1.00 0.00 O ATOM 0 H GLU A 100 16.065 12.721 7.304 1.00 0.00 H new ATOM 0 HA GLU A 100 13.452 13.156 8.239 1.00 0.00 H new ATOM 0 HB2 GLU A 100 14.487 13.061 10.500 1.00 0.00 H new ATOM 0 HB3 GLU A 100 14.721 11.661 9.473 1.00 0.00 H new ATOM 0 HG2 GLU A 100 17.024 12.420 8.961 1.00 0.00 H new ATOM 0 HG3 GLU A 100 16.790 13.822 9.987 1.00 0.00 H new ATOM 1592 N ALA A 101 15.454 15.738 8.425 1.00 0.00 N ATOM 1593 CA ALA A 101 15.465 17.188 8.644 1.00 0.00 C ATOM 1594 C ALA A 101 14.442 17.890 7.766 1.00 0.00 C ATOM 1595 O ALA A 101 13.811 18.867 8.194 1.00 0.00 O ATOM 1596 CB ALA A 101 16.839 17.765 8.396 1.00 0.00 C ATOM 0 H ALA A 101 16.337 15.357 8.085 1.00 0.00 H new ATOM 0 HA ALA A 101 15.197 17.358 9.687 1.00 0.00 H new ATOM 0 HB1 ALA A 101 16.818 18.841 8.566 1.00 0.00 H new ATOM 0 HB2 ALA A 101 17.555 17.304 9.076 1.00 0.00 H new ATOM 0 HB3 ALA A 101 17.137 17.566 7.367 1.00 0.00 H new ATOM 1602 N VAL A 102 14.274 17.389 6.547 1.00 0.00 N ATOM 1603 CA VAL A 102 13.290 17.926 5.628 1.00 0.00 C ATOM 1604 C VAL A 102 11.877 17.747 6.177 1.00 0.00 C ATOM 1605 O VAL A 102 11.130 18.726 6.363 1.00 0.00 O ATOM 1606 CB VAL A 102 13.395 17.276 4.211 1.00 0.00 C ATOM 1607 CG1 VAL A 102 12.184 17.619 3.356 1.00 0.00 C ATOM 1608 CG2 VAL A 102 14.654 17.743 3.503 1.00 0.00 C ATOM 0 H VAL A 102 14.813 16.607 6.175 1.00 0.00 H new ATOM 0 HA VAL A 102 13.502 18.990 5.526 1.00 0.00 H new ATOM 0 HB VAL A 102 13.433 16.195 4.349 1.00 0.00 H new ATOM 0 HG11 VAL A 102 12.286 17.152 2.376 1.00 0.00 H new ATOM 0 HG12 VAL A 102 11.280 17.250 3.841 1.00 0.00 H new ATOM 0 HG13 VAL A 102 12.117 18.700 3.238 1.00 0.00 H new ATOM 0 HG21 VAL A 102 14.710 17.280 2.518 1.00 0.00 H new ATOM 0 HG22 VAL A 102 14.629 18.827 3.394 1.00 0.00 H new ATOM 0 HG23 VAL A 102 15.528 17.457 4.089 1.00 0.00 H new ATOM 1618 N LYS A 103 11.524 16.517 6.488 1.00 0.00 N ATOM 1619 CA LYS A 103 10.181 16.236 6.929 1.00 0.00 C ATOM 1620 C LYS A 103 9.913 16.746 8.324 1.00 0.00 C ATOM 1621 O LYS A 103 8.781 16.980 8.667 1.00 0.00 O ATOM 1622 CB LYS A 103 9.803 14.768 6.765 1.00 0.00 C ATOM 1623 CG LYS A 103 10.610 13.784 7.588 1.00 0.00 C ATOM 1624 CD LYS A 103 10.297 12.335 7.177 1.00 0.00 C ATOM 1625 CE LYS A 103 10.621 12.086 5.698 1.00 0.00 C ATOM 1626 NZ LYS A 103 10.204 10.750 5.218 1.00 0.00 N1+ ATOM 0 H LYS A 103 12.143 15.707 6.443 1.00 0.00 H new ATOM 0 HA LYS A 103 9.522 16.795 6.265 1.00 0.00 H new ATOM 0 HB2 LYS A 103 8.751 14.652 7.024 1.00 0.00 H new ATOM 0 HB3 LYS A 103 9.904 14.502 5.713 1.00 0.00 H new ATOM 0 HG2 LYS A 103 11.674 13.981 7.457 1.00 0.00 H new ATOM 0 HG3 LYS A 103 10.388 13.922 8.646 1.00 0.00 H new ATOM 0 HD2 LYS A 103 10.873 11.648 7.797 1.00 0.00 H new ATOM 0 HD3 LYS A 103 9.244 12.124 7.360 1.00 0.00 H new ATOM 0 HE2 LYS A 103 10.131 12.849 5.094 1.00 0.00 H new ATOM 0 HE3 LYS A 103 11.694 12.199 5.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 10.468 10.643 4.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 10.677 10.015 5.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 9.173 10.652 5.317 1.00 0.00 H new ATOM 1640 N GLU A 104 10.957 16.974 9.106 1.00 0.00 N ATOM 1641 CA GLU A 104 10.795 17.555 10.431 1.00 0.00 C ATOM 1642 C GLU A 104 10.166 18.954 10.386 1.00 0.00 C ATOM 1643 O GLU A 104 9.673 19.441 11.394 1.00 0.00 O ATOM 1644 CB GLU A 104 12.090 17.554 11.250 1.00 0.00 C ATOM 1645 CG GLU A 104 12.457 16.191 11.823 1.00 0.00 C ATOM 1646 CD GLU A 104 11.394 15.649 12.763 1.00 0.00 C ATOM 1647 OE1 GLU A 104 11.436 15.952 13.983 1.00 0.00 O1- ATOM 1648 OE2 GLU A 104 10.496 14.909 12.316 1.00 0.00 O ATOM 0 H GLU A 104 11.922 16.767 8.848 1.00 0.00 H new ATOM 0 HA GLU A 104 10.095 16.900 10.949 1.00 0.00 H new ATOM 0 HB2 GLU A 104 12.907 17.904 10.620 1.00 0.00 H new ATOM 0 HB3 GLU A 104 11.991 18.267 12.069 1.00 0.00 H new ATOM 0 HG2 GLU A 104 12.608 15.486 11.006 1.00 0.00 H new ATOM 0 HG3 GLU A 104 13.404 16.268 12.357 1.00 0.00 H new ATOM 1655 N GLU A 105 10.225 19.598 9.226 1.00 0.00 N ATOM 1656 CA GLU A 105 9.576 20.886 9.023 1.00 0.00 C ATOM 1657 C GLU A 105 8.133 20.669 8.556 1.00 0.00 C ATOM 1658 O GLU A 105 7.186 21.258 9.083 1.00 0.00 O ATOM 1659 CB GLU A 105 10.297 21.678 7.929 1.00 0.00 C ATOM 1660 CG GLU A 105 11.741 22.022 8.212 1.00 0.00 C ATOM 1661 CD GLU A 105 11.903 22.980 9.359 1.00 0.00 C ATOM 1662 OE1 GLU A 105 11.460 24.138 9.249 1.00 0.00 O1- ATOM 1663 OE2 GLU A 105 12.489 22.602 10.380 1.00 0.00 O ATOM 0 H GLU A 105 10.720 19.245 8.407 1.00 0.00 H new ATOM 0 HA GLU A 105 9.603 21.431 9.966 1.00 0.00 H new ATOM 0 HB2 GLU A 105 10.254 21.105 7.003 1.00 0.00 H new ATOM 0 HB3 GLU A 105 9.749 22.604 7.756 1.00 0.00 H new ATOM 0 HG2 GLU A 105 12.291 21.106 8.430 1.00 0.00 H new ATOM 0 HG3 GLU A 105 12.187 22.456 7.317 1.00 0.00 H new ATOM 1670 N LEU A 106 7.996 19.790 7.581 1.00 0.00 N ATOM 1671 CA LEU A 106 6.738 19.552 6.868 1.00 0.00 C ATOM 1672 C LEU A 106 5.728 18.789 7.718 1.00 0.00 C ATOM 1673 O LEU A 106 4.552 19.171 7.809 1.00 0.00 O ATOM 1674 CB LEU A 106 7.043 18.775 5.583 1.00 0.00 C ATOM 1675 CG LEU A 106 8.121 19.390 4.673 1.00 0.00 C ATOM 1676 CD1 LEU A 106 8.372 18.525 3.460 1.00 0.00 C ATOM 1677 CD2 LEU A 106 7.746 20.797 4.248 1.00 0.00 C ATOM 0 H LEU A 106 8.765 19.207 7.250 1.00 0.00 H new ATOM 0 HA LEU A 106 6.287 20.516 6.634 1.00 0.00 H new ATOM 0 HB2 LEU A 106 7.355 17.767 5.855 1.00 0.00 H new ATOM 0 HB3 LEU A 106 6.121 18.680 5.010 1.00 0.00 H new ATOM 0 HG LEU A 106 9.043 19.443 5.253 1.00 0.00 H new ATOM 0 HD11 LEU A 106 9.138 18.986 2.837 1.00 0.00 H new ATOM 0 HD12 LEU A 106 8.709 17.539 3.780 1.00 0.00 H new ATOM 0 HD13 LEU A 106 7.450 18.425 2.887 1.00 0.00 H new ATOM 0 HD21 LEU A 106 8.528 21.204 3.606 1.00 0.00 H new ATOM 0 HD22 LEU A 106 6.803 20.773 3.701 1.00 0.00 H new ATOM 0 HD23 LEU A 106 7.637 21.427 5.131 1.00 0.00 H new ATOM 1689 N ASP A 107 6.213 17.747 8.381 1.00 0.00 N ATOM 1690 CA ASP A 107 5.401 16.855 9.228 1.00 0.00 C ATOM 1691 C ASP A 107 4.665 17.617 10.303 1.00 0.00 C ATOM 1692 O ASP A 107 3.568 17.245 10.671 1.00 0.00 O ATOM 1693 CB ASP A 107 6.295 15.756 9.842 1.00 0.00 C ATOM 1694 CG ASP A 107 5.657 14.905 10.899 1.00 0.00 C ATOM 1695 OD1 ASP A 107 5.751 15.253 12.079 1.00 0.00 O1- ATOM 1696 OD2 ASP A 107 5.123 13.823 10.569 1.00 0.00 O ATOM 0 H ASP A 107 7.198 17.486 8.351 1.00 0.00 H new ATOM 0 HA ASP A 107 4.645 16.386 8.598 1.00 0.00 H new ATOM 0 HB2 ASP A 107 6.640 15.105 9.039 1.00 0.00 H new ATOM 0 HB3 ASP A 107 7.178 16.230 10.270 1.00 0.00 H new ATOM 1701 N ARG A 108 5.232 18.747 10.727 1.00 0.00 N ATOM 1702 CA ARG A 108 4.649 19.550 11.807 1.00 0.00 C ATOM 1703 C ARG A 108 3.304 20.157 11.414 1.00 0.00 C ATOM 1704 O ARG A 108 2.508 20.505 12.273 1.00 0.00 O ATOM 1705 CB ARG A 108 5.582 20.678 12.272 1.00 0.00 C ATOM 1706 CG ARG A 108 6.994 20.257 12.652 1.00 0.00 C ATOM 1707 CD ARG A 108 7.026 19.002 13.504 1.00 0.00 C ATOM 1708 NE ARG A 108 6.229 19.097 14.722 1.00 0.00 N ATOM 1709 CZ ARG A 108 5.693 18.041 15.335 1.00 0.00 C ATOM 1710 NH1 ARG A 108 5.842 16.826 14.811 1.00 0.00 N1+ ATOM 1711 NH2 ARG A 108 4.990 18.196 16.448 1.00 0.00 N ATOM 0 H ARG A 108 6.095 19.129 10.340 1.00 0.00 H new ATOM 0 HA ARG A 108 4.501 18.853 12.632 1.00 0.00 H new ATOM 0 HB2 ARG A 108 5.646 21.421 11.477 1.00 0.00 H new ATOM 0 HB3 ARG A 108 5.126 21.169 13.132 1.00 0.00 H new ATOM 0 HG2 ARG A 108 7.574 20.089 11.745 1.00 0.00 H new ATOM 0 HG3 ARG A 108 7.477 21.070 13.194 1.00 0.00 H new ATOM 0 HD2 ARG A 108 6.666 18.162 12.910 1.00 0.00 H new ATOM 0 HD3 ARG A 108 8.059 18.783 13.773 1.00 0.00 H new ATOM 0 HE ARG A 108 6.073 20.020 15.126 1.00 0.00 H new ATOM 0 HH11 ARG A 108 6.365 16.705 13.943 1.00 0.00 H new ATOM 0 HH12 ARG A 108 5.433 16.016 15.277 1.00 0.00 H new ATOM 0 HH21 ARG A 108 4.856 19.128 16.841 1.00 0.00 H new ATOM 0 HH22 ARG A 108 4.583 17.384 16.911 1.00 0.00 H new ATOM 1725 N ASP A 109 3.068 20.317 10.126 1.00 0.00 N ATOM 1726 CA ASP A 109 1.790 20.865 9.661 1.00 0.00 C ATOM 1727 C ASP A 109 0.803 19.738 9.515 1.00 0.00 C ATOM 1728 O ASP A 109 -0.370 19.853 9.880 1.00 0.00 O ATOM 1729 CB ASP A 109 1.945 21.582 8.315 1.00 0.00 C ATOM 1730 CG ASP A 109 0.647 22.228 7.821 1.00 0.00 C ATOM 1731 OD1 ASP A 109 -0.184 21.549 7.196 1.00 0.00 O1- ATOM 1732 OD2 ASP A 109 0.462 23.460 8.022 1.00 0.00 O ATOM 0 H ASP A 109 3.728 20.082 9.385 1.00 0.00 H new ATOM 0 HA ASP A 109 1.438 21.593 10.392 1.00 0.00 H new ATOM 0 HB2 ASP A 109 2.713 22.350 8.406 1.00 0.00 H new ATOM 0 HB3 ASP A 109 2.295 20.868 7.569 1.00 0.00 H new ATOM 1737 N ILE A 110 1.302 18.631 9.009 1.00 0.00 N ATOM 1738 CA ILE A 110 0.511 17.442 8.770 1.00 0.00 C ATOM 1739 C ILE A 110 0.004 16.884 10.087 1.00 0.00 C ATOM 1740 O ILE A 110 -1.193 16.574 10.232 1.00 0.00 O ATOM 1741 CB ILE A 110 1.356 16.371 8.051 1.00 0.00 C ATOM 1742 CG1 ILE A 110 1.965 16.971 6.783 1.00 0.00 C ATOM 1743 CG2 ILE A 110 0.498 15.143 7.708 1.00 0.00 C ATOM 1744 CD1 ILE A 110 2.921 16.058 6.077 1.00 0.00 C ATOM 0 H ILE A 110 2.283 18.530 8.748 1.00 0.00 H new ATOM 0 HA ILE A 110 -0.336 17.711 8.139 1.00 0.00 H new ATOM 0 HB ILE A 110 2.157 16.045 8.714 1.00 0.00 H new ATOM 0 HG12 ILE A 110 1.161 17.239 6.098 1.00 0.00 H new ATOM 0 HG13 ILE A 110 2.484 17.894 7.043 1.00 0.00 H new ATOM 0 HG21 ILE A 110 1.113 14.399 7.201 1.00 0.00 H new ATOM 0 HG22 ILE A 110 0.093 14.715 8.625 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -0.321 15.443 7.054 1.00 0.00 H new ATOM 0 HD11 ILE A 110 3.310 16.555 5.188 1.00 0.00 H new ATOM 0 HD12 ILE A 110 3.746 15.809 6.744 1.00 0.00 H new ATOM 0 HD13 ILE A 110 2.403 15.145 5.784 1.00 0.00 H new ATOM 1973 N ILE B 206 26.436 15.121 7.960 1.00 0.00 N ATOM 1974 CA ILE B 206 26.347 15.391 6.545 1.00 0.00 C ATOM 1975 C ILE B 206 26.457 16.890 6.422 1.00 0.00 C ATOM 1976 O ILE B 206 25.936 17.613 7.278 1.00 0.00 O ATOM 1977 CB ILE B 206 24.982 14.996 5.922 1.00 0.00 C ATOM 1978 CG1 ILE B 206 24.386 13.740 6.560 1.00 0.00 C ATOM 1979 CG2 ILE B 206 25.189 14.741 4.439 1.00 0.00 C ATOM 1980 CD1 ILE B 206 23.030 13.372 6.005 1.00 0.00 C ATOM 0 HA ILE B 206 27.119 14.819 6.030 1.00 0.00 H new ATOM 0 HB ILE B 206 24.284 15.814 6.098 1.00 0.00 H new ATOM 0 HG12 ILE B 206 25.071 12.905 6.410 1.00 0.00 H new ATOM 0 HG13 ILE B 206 24.301 13.893 7.636 1.00 0.00 H new ATOM 0 HG21 ILE B 206 24.240 14.462 3.982 1.00 0.00 H new ATOM 0 HG22 ILE B 206 25.568 15.646 3.964 1.00 0.00 H new ATOM 0 HG23 ILE B 206 25.908 13.933 4.306 1.00 0.00 H new ATOM 0 HD11 ILE B 206 22.666 12.472 6.501 1.00 0.00 H new ATOM 0 HD12 ILE B 206 22.331 14.190 6.179 1.00 0.00 H new ATOM 0 HD13 ILE B 206 23.113 13.187 4.934 1.00 0.00 H new ATOM 1992 N ASP B 207 27.054 17.365 5.385 1.00 0.00 N ATOM 1993 CA ASP B 207 27.324 18.783 5.270 1.00 0.00 C ATOM 1994 C ASP B 207 26.516 19.382 4.141 1.00 0.00 C ATOM 1995 O ASP B 207 27.023 20.108 3.291 1.00 0.00 O ATOM 1996 CB ASP B 207 28.817 18.990 5.065 1.00 0.00 C ATOM 1997 CG ASP B 207 29.259 20.448 5.197 1.00 0.00 C ATOM 1998 OD1 ASP B 207 29.130 21.044 6.300 1.00 0.00 O1- ATOM 1999 OD2 ASP B 207 29.738 21.030 4.220 1.00 0.00 O ATOM 0 H ASP B 207 27.371 16.803 4.595 1.00 0.00 H new ATOM 0 HA ASP B 207 27.026 19.293 6.186 1.00 0.00 H new ATOM 0 HB2 ASP B 207 29.362 18.387 5.792 1.00 0.00 H new ATOM 0 HB3 ASP B 207 29.093 18.624 4.076 1.00 0.00 H new ATOM 2004 N ILE B 208 25.251 19.078 4.122 1.00 0.00 N ATOM 2005 CA ILE B 208 24.396 19.641 3.107 1.00 0.00 C ATOM 2006 C ILE B 208 23.296 20.398 3.785 1.00 0.00 C ATOM 2007 O ILE B 208 23.343 21.614 3.900 1.00 0.00 O ATOM 2008 CB ILE B 208 23.718 18.576 2.218 1.00 0.00 C ATOM 2009 CG1 ILE B 208 24.618 17.385 2.006 1.00 0.00 C ATOM 2010 CG2 ILE B 208 23.338 19.187 0.879 1.00 0.00 C ATOM 2011 CD1 ILE B 208 23.947 16.284 1.235 1.00 0.00 C ATOM 0 H ILE B 208 24.790 18.454 4.784 1.00 0.00 H new ATOM 0 HA ILE B 208 25.027 20.266 2.475 1.00 0.00 H new ATOM 0 HB ILE B 208 22.819 18.231 2.728 1.00 0.00 H new ATOM 0 HG12 ILE B 208 25.515 17.702 1.474 1.00 0.00 H new ATOM 0 HG13 ILE B 208 24.941 17.001 2.974 1.00 0.00 H new ATOM 0 HG21 ILE B 208 22.860 18.431 0.256 1.00 0.00 H new ATOM 0 HG22 ILE B 208 22.647 20.014 1.040 1.00 0.00 H new ATOM 0 HG23 ILE B 208 24.234 19.555 0.379 1.00 0.00 H new ATOM 0 HD11 ILE B 208 24.640 15.452 1.111 1.00 0.00 H new ATOM 0 HD12 ILE B 208 23.065 15.944 1.778 1.00 0.00 H new ATOM 0 HD13 ILE B 208 23.648 16.656 0.255 1.00 0.00 H new ATOM 2023 N MET B 209 22.354 19.624 4.330 1.00 0.00 N ATOM 2024 CA MET B 209 21.111 20.126 4.910 1.00 0.00 C ATOM 2025 C MET B 209 20.245 20.939 3.927 1.00 0.00 C ATOM 2026 O MET B 209 20.751 21.574 2.996 1.00 0.00 O ATOM 2027 CB MET B 209 21.320 20.816 6.265 1.00 0.00 C ATOM 2028 CG MET B 209 21.540 19.801 7.356 1.00 0.00 C ATOM 2029 SD MET B 209 20.198 18.591 7.339 1.00 0.00 S ATOM 2030 CE MET B 209 20.708 17.455 8.590 1.00 0.00 C ATOM 0 H MET B 209 22.439 18.609 4.380 1.00 0.00 H new ATOM 0 HA MET B 209 20.515 19.239 5.123 1.00 0.00 H new ATOM 0 HB2 MET B 209 22.178 21.486 6.208 1.00 0.00 H new ATOM 0 HB3 MET B 209 20.451 21.430 6.503 1.00 0.00 H new ATOM 0 HG2 MET B 209 22.497 19.299 7.212 1.00 0.00 H new ATOM 0 HG3 MET B 209 21.583 20.298 8.325 1.00 0.00 H new ATOM 0 HE1 MET B 209 19.867 16.821 8.870 1.00 0.00 H new ATOM 0 HE2 MET B 209 21.520 16.835 8.209 1.00 0.00 H new ATOM 0 HE3 MET B 209 21.053 18.007 9.464 1.00 0.00 H new ATOM 2040 N PRO B 210 18.918 20.884 4.078 1.00 0.00 N ATOM 2041 CA PRO B 210 18.018 21.577 3.176 1.00 0.00 C ATOM 2042 C PRO B 210 18.128 23.104 3.303 1.00 0.00 C ATOM 2043 O PRO B 210 18.221 23.650 4.424 1.00 0.00 O ATOM 2044 CB PRO B 210 16.635 21.086 3.602 1.00 0.00 C ATOM 2045 CG PRO B 210 16.798 20.685 5.022 1.00 0.00 C ATOM 2046 CD PRO B 210 18.180 20.148 5.128 1.00 0.00 C ATOM 0 HA PRO B 210 18.244 21.370 2.130 1.00 0.00 H new ATOM 0 HB2 PRO B 210 15.886 21.871 3.496 1.00 0.00 H new ATOM 0 HB3 PRO B 210 16.307 20.247 2.989 1.00 0.00 H new ATOM 0 HG2 PRO B 210 16.655 21.536 5.689 1.00 0.00 H new ATOM 0 HG3 PRO B 210 16.062 19.932 5.304 1.00 0.00 H new ATOM 0 HD2 PRO B 210 18.605 20.325 6.116 1.00 0.00 H new ATOM 0 HD3 PRO B 210 18.207 19.072 4.958 1.00 0.00 H new ATOM 2054 N ASP B 211 18.129 23.793 2.170 1.00 0.00 N ATOM 2055 CA ASP B 211 18.223 25.250 2.194 1.00 0.00 C ATOM 2056 C ASP B 211 16.872 25.825 2.546 1.00 0.00 C ATOM 2057 O ASP B 211 16.768 26.731 3.364 1.00 0.00 O ATOM 2058 CB ASP B 211 18.673 25.862 0.857 1.00 0.00 C ATOM 2059 CG ASP B 211 20.028 25.437 0.353 1.00 0.00 C ATOM 2060 OD1 ASP B 211 21.039 25.533 1.089 1.00 0.00 O1- ATOM 2061 OD2 ASP B 211 20.114 25.032 -0.830 1.00 0.00 O ATOM 0 H ASP B 211 18.067 23.379 1.240 1.00 0.00 H new ATOM 0 HA ASP B 211 18.981 25.499 2.936 1.00 0.00 H new ATOM 0 HB2 ASP B 211 17.931 25.611 0.099 1.00 0.00 H new ATOM 0 HB3 ASP B 211 18.670 26.947 0.959 1.00 0.00 H new ATOM 2066 N PHE B 212 15.828 25.282 1.905 1.00 0.00 N ATOM 2067 CA PHE B 212 14.427 25.694 2.146 1.00 0.00 C ATOM 2068 C PHE B 212 14.165 27.180 1.895 1.00 0.00 C ATOM 2069 O PHE B 212 13.286 27.782 2.535 1.00 0.00 O ATOM 2070 CB PHE B 212 13.940 25.326 3.558 1.00 0.00 C ATOM 2071 CG PHE B 212 13.602 23.884 3.780 1.00 0.00 C ATOM 2072 CD1 PHE B 212 12.911 23.162 2.823 1.00 0.00 C ATOM 2073 CD2 PHE B 212 13.923 23.265 4.972 1.00 0.00 C ATOM 2074 CE1 PHE B 212 12.555 21.855 3.050 1.00 0.00 C ATOM 2075 CE2 PHE B 212 13.571 21.954 5.200 1.00 0.00 C ATOM 2076 CZ PHE B 212 12.885 21.251 4.235 1.00 0.00 C ATOM 0 H PHE B 212 15.924 24.546 1.205 1.00 0.00 H new ATOM 0 HA PHE B 212 13.856 25.129 1.410 1.00 0.00 H new ATOM 0 HB2 PHE B 212 14.711 25.612 4.273 1.00 0.00 H new ATOM 0 HB3 PHE B 212 13.058 25.925 3.784 1.00 0.00 H new ATOM 0 HD1 PHE B 212 12.649 23.632 1.887 1.00 0.00 H new ATOM 0 HD2 PHE B 212 14.456 23.815 5.733 1.00 0.00 H new ATOM 0 HE1 PHE B 212 12.015 21.303 2.295 1.00 0.00 H new ATOM 0 HE2 PHE B 212 13.832 21.478 6.134 1.00 0.00 H new ATOM 0 HZ PHE B 212 12.607 20.223 4.412 1.00 0.00 H new ATOM 2086 N SER B 213 14.832 27.748 0.949 1.00 0.00 N ATOM 2087 CA SER B 213 14.644 29.132 0.638 1.00 0.00 C ATOM 2088 C SER B 213 13.866 29.176 -0.670 1.00 0.00 C ATOM 2089 O SER B 213 13.664 28.124 -1.267 1.00 0.00 O ATOM 2090 CB SER B 213 16.029 29.765 0.477 1.00 0.00 C ATOM 2091 OG SER B 213 16.847 29.437 1.602 1.00 0.00 O ATOM 0 H SER B 213 15.522 27.272 0.368 1.00 0.00 H new ATOM 0 HA SER B 213 14.101 29.675 1.411 1.00 0.00 H new ATOM 0 HB2 SER B 213 16.497 29.408 -0.440 1.00 0.00 H new ATOM 0 HB3 SER B 213 15.936 30.847 0.387 1.00 0.00 H new ATOM 0 HG SER B 213 17.732 29.843 1.492 1.00 0.00 H new ATOM 2097 N PRO B 214 13.330 30.306 -1.090 1.00 0.00 N ATOM 2098 CA PRO B 214 12.769 30.408 -2.419 1.00 0.00 C ATOM 2099 C PRO B 214 13.841 30.766 -3.399 1.00 0.00 C ATOM 2100 O PRO B 214 14.965 31.164 -3.012 1.00 0.00 O ATOM 2101 CB PRO B 214 11.843 31.606 -2.344 1.00 0.00 C ATOM 2102 CG PRO B 214 12.424 32.472 -1.276 1.00 0.00 C ATOM 2103 CD PRO B 214 13.146 31.556 -0.314 1.00 0.00 C ATOM 0 HA PRO B 214 12.290 29.477 -2.723 1.00 0.00 H new ATOM 0 HB2 PRO B 214 11.798 32.131 -3.298 1.00 0.00 H new ATOM 0 HB3 PRO B 214 10.825 31.304 -2.098 1.00 0.00 H new ATOM 0 HG2 PRO B 214 13.111 33.203 -1.702 1.00 0.00 H new ATOM 0 HG3 PRO B 214 11.641 33.031 -0.763 1.00 0.00 H new ATOM 0 HD2 PRO B 214 14.101 31.977 -0.001 1.00 0.00 H new ATOM 0 HD3 PRO B 214 12.562 31.384 0.590 1.00 0.00 H new ATOM 2111 N SER B 215 13.564 30.595 -4.628 1.00 0.00 N ATOM 2112 CA SER B 215 14.372 31.197 -5.582 1.00 0.00 C ATOM 2113 C SER B 215 13.770 32.574 -5.861 1.00 0.00 C ATOM 2114 O SER B 215 12.726 32.966 -5.311 1.00 0.00 O ATOM 2115 CB SER B 215 14.459 30.381 -6.878 1.00 0.00 C ATOM 2116 OG SER B 215 13.247 30.455 -7.620 1.00 0.00 O ATOM 0 H SER B 215 12.785 30.044 -4.989 1.00 0.00 H new ATOM 0 HA SER B 215 15.392 31.269 -5.205 1.00 0.00 H new ATOM 0 HB2 SER B 215 15.284 30.750 -7.488 1.00 0.00 H new ATOM 0 HB3 SER B 215 14.679 29.340 -6.640 1.00 0.00 H new ATOM 0 HG SER B 215 12.685 29.682 -7.406 1.00 0.00 H new ATOM 2122 N GLY B 216 14.407 33.257 -6.688 1.00 0.00 N ATOM 2123 CA GLY B 216 13.972 34.536 -7.130 1.00 0.00 C ATOM 2124 C GLY B 216 13.379 34.411 -8.499 1.00 0.00 C ATOM 2125 O GLY B 216 12.745 35.329 -8.994 1.00 0.00 O ATOM 0 H GLY B 216 15.285 32.952 -7.109 1.00 0.00 H new ATOM 0 HA2 GLY B 216 13.234 34.941 -6.437 1.00 0.00 H new ATOM 0 HA3 GLY B 216 14.810 35.232 -7.146 1.00 0.00 H new ATOM 2129 N LEU B 217 13.560 33.222 -9.107 1.00 0.00 N ATOM 2130 CA LEU B 217 13.045 32.957 -10.443 1.00 0.00 C ATOM 2131 C LEU B 217 11.560 32.892 -10.321 1.00 0.00 C ATOM 2132 O LEU B 217 10.826 33.502 -11.073 1.00 0.00 O ATOM 2133 CB LEU B 217 13.482 31.569 -10.963 1.00 0.00 C ATOM 2134 CG LEU B 217 14.925 31.127 -10.763 1.00 0.00 C ATOM 2135 CD1 LEU B 217 15.139 29.784 -11.404 1.00 0.00 C ATOM 2136 CD2 LEU B 217 15.892 32.101 -11.336 1.00 0.00 C ATOM 0 H LEU B 217 14.059 32.439 -8.686 1.00 0.00 H new ATOM 0 HA LEU B 217 13.411 33.731 -11.118 1.00 0.00 H new ATOM 0 HB2 LEU B 217 12.841 30.824 -10.491 1.00 0.00 H new ATOM 0 HB3 LEU B 217 13.273 31.538 -12.032 1.00 0.00 H new ATOM 0 HG LEU B 217 15.102 31.068 -9.689 1.00 0.00 H new ATOM 0 HD11 LEU B 217 16.173 29.472 -11.258 1.00 0.00 H new ATOM 0 HD12 LEU B 217 14.472 29.053 -10.948 1.00 0.00 H new ATOM 0 HD13 LEU B 217 14.928 29.852 -12.471 1.00 0.00 H new ATOM 0 HD21 LEU B 217 16.909 31.745 -11.170 1.00 0.00 H new ATOM 0 HD22 LEU B 217 15.714 32.204 -12.406 1.00 0.00 H new ATOM 0 HD23 LEU B 217 15.763 33.069 -10.852 1.00 0.00 H new ATOM 2148 N LEU B 218 11.168 32.177 -9.297 1.00 0.00 N ATOM 2149 CA LEU B 218 9.816 31.819 -8.976 1.00 0.00 C ATOM 2150 C LEU B 218 8.833 32.992 -9.130 1.00 0.00 C ATOM 2151 O LEU B 218 7.913 32.936 -9.952 1.00 0.00 O ATOM 2152 CB LEU B 218 9.804 31.311 -7.542 1.00 0.00 C ATOM 2153 CG LEU B 218 8.914 30.078 -7.273 1.00 0.00 C ATOM 2154 CD1 LEU B 218 7.487 30.304 -7.708 1.00 0.00 C ATOM 2155 CD2 LEU B 218 9.470 28.859 -7.959 1.00 0.00 C ATOM 0 H LEU B 218 11.835 31.805 -8.620 1.00 0.00 H new ATOM 0 HA LEU B 218 9.482 31.052 -9.675 1.00 0.00 H new ATOM 0 HB2 LEU B 218 10.827 31.067 -7.254 1.00 0.00 H new ATOM 0 HB3 LEU B 218 9.475 32.122 -6.892 1.00 0.00 H new ATOM 0 HG LEU B 218 8.914 29.916 -6.195 1.00 0.00 H new ATOM 0 HD11 LEU B 218 6.897 29.411 -7.500 1.00 0.00 H new ATOM 0 HD12 LEU B 218 7.070 31.150 -7.162 1.00 0.00 H new ATOM 0 HD13 LEU B 218 7.462 30.515 -8.777 1.00 0.00 H new ATOM 0 HD21 LEU B 218 8.827 28.002 -7.756 1.00 0.00 H new ATOM 0 HD22 LEU B 218 9.512 29.034 -9.034 1.00 0.00 H new ATOM 0 HD23 LEU B 218 10.473 28.657 -7.584 1.00 0.00 H new ATOM 2167 N GLU B 219 9.061 34.047 -8.385 1.00 0.00 N ATOM 2168 CA GLU B 219 8.167 35.202 -8.368 1.00 0.00 C ATOM 2169 C GLU B 219 8.236 36.042 -9.653 1.00 0.00 C ATOM 2170 O GLU B 219 7.420 36.944 -9.855 1.00 0.00 O ATOM 2171 CB GLU B 219 8.433 36.062 -7.140 1.00 0.00 C ATOM 2172 CG GLU B 219 9.862 36.566 -7.031 1.00 0.00 C ATOM 2173 CD GLU B 219 10.083 37.354 -5.778 1.00 0.00 C ATOM 2174 OE1 GLU B 219 9.882 38.587 -5.797 1.00 0.00 O ATOM 2175 OE2 GLU B 219 10.457 36.757 -4.746 1.00 0.00 O1- ATOM 0 H GLU B 219 9.869 34.138 -7.770 1.00 0.00 H new ATOM 0 HA GLU B 219 7.151 34.810 -8.318 1.00 0.00 H new ATOM 0 HB2 GLU B 219 7.758 36.918 -7.156 1.00 0.00 H new ATOM 0 HB3 GLU B 219 8.194 35.484 -6.247 1.00 0.00 H new ATOM 0 HG2 GLU B 219 10.548 35.719 -7.053 1.00 0.00 H new ATOM 0 HG3 GLU B 219 10.095 37.187 -7.896 1.00 0.00 H new ATOM 2182 N LEU B 220 9.199 35.758 -10.502 1.00 0.00 N ATOM 2183 CA LEU B 220 9.327 36.465 -11.759 1.00 0.00 C ATOM 2184 C LEU B 220 8.677 35.658 -12.876 1.00 0.00 C ATOM 2185 O LEU B 220 8.134 36.214 -13.828 1.00 0.00 O ATOM 2186 CB LEU B 220 10.806 36.712 -12.101 1.00 0.00 C ATOM 2187 CG LEU B 220 11.620 37.534 -11.095 1.00 0.00 C ATOM 2188 CD1 LEU B 220 13.067 37.639 -11.544 1.00 0.00 C ATOM 2189 CD2 LEU B 220 11.022 38.920 -10.916 1.00 0.00 C ATOM 0 H LEU B 220 9.907 35.041 -10.345 1.00 0.00 H new ATOM 0 HA LEU B 220 8.825 37.428 -11.661 1.00 0.00 H new ATOM 0 HB2 LEU B 220 11.293 35.744 -12.222 1.00 0.00 H new ATOM 0 HB3 LEU B 220 10.852 37.215 -13.067 1.00 0.00 H new ATOM 0 HG LEU B 220 11.587 37.021 -10.134 1.00 0.00 H new ATOM 0 HD11 LEU B 220 13.631 38.226 -10.819 1.00 0.00 H new ATOM 0 HD12 LEU B 220 13.498 36.641 -11.618 1.00 0.00 H new ATOM 0 HD13 LEU B 220 13.111 38.126 -12.518 1.00 0.00 H new ATOM 0 HD21 LEU B 220 11.618 39.483 -10.198 1.00 0.00 H new ATOM 0 HD22 LEU B 220 11.019 39.442 -11.873 1.00 0.00 H new ATOM 0 HD23 LEU B 220 10.000 38.831 -10.549 1.00 0.00 H new ATOM 2201 N GLU B 221 8.740 34.353 -12.751 1.00 0.00 N ATOM 2202 CA GLU B 221 8.221 33.440 -13.764 1.00 0.00 C ATOM 2203 C GLU B 221 6.734 33.189 -13.583 1.00 0.00 C ATOM 2204 O GLU B 221 5.978 33.089 -14.564 1.00 0.00 O ATOM 2205 CB GLU B 221 8.958 32.106 -13.682 1.00 0.00 C ATOM 2206 CG GLU B 221 10.456 32.215 -13.848 1.00 0.00 C ATOM 2207 CD GLU B 221 10.856 32.774 -15.188 1.00 0.00 C ATOM 2208 OE1 GLU B 221 10.766 32.044 -16.199 1.00 0.00 O ATOM 2209 OE2 GLU B 221 11.280 33.936 -15.255 1.00 0.00 O1- ATOM 0 H GLU B 221 9.153 33.885 -11.944 1.00 0.00 H new ATOM 0 HA GLU B 221 8.379 33.904 -14.737 1.00 0.00 H new ATOM 0 HB2 GLU B 221 8.743 31.644 -12.719 1.00 0.00 H new ATOM 0 HB3 GLU B 221 8.566 31.439 -14.450 1.00 0.00 H new ATOM 0 HG2 GLU B 221 10.859 32.851 -13.059 1.00 0.00 H new ATOM 0 HG3 GLU B 221 10.903 31.229 -13.723 1.00 0.00 H new ATOM 2461 N PRO C 315 -4.319 24.729 -1.161 1.00 0.00 N ATOM 2462 CA PRO C 315 -2.954 25.085 -0.761 1.00 0.00 C ATOM 2463 C PRO C 315 -2.666 24.905 0.730 1.00 0.00 C ATOM 2464 O PRO C 315 -3.510 25.198 1.599 1.00 0.00 O ATOM 2465 CB PRO C 315 -2.829 26.570 -1.145 1.00 0.00 C ATOM 2466 CG PRO C 315 -4.210 27.017 -1.450 1.00 0.00 C ATOM 2467 CD PRO C 315 -4.923 25.811 -1.954 1.00 0.00 C ATOM 0 HA PRO C 315 -2.236 24.429 -1.253 1.00 0.00 H new ATOM 0 HB2 PRO C 315 -2.399 27.152 -0.329 1.00 0.00 H new ATOM 0 HB3 PRO C 315 -2.175 26.699 -2.008 1.00 0.00 H new ATOM 0 HG2 PRO C 315 -4.697 27.417 -0.561 1.00 0.00 H new ATOM 0 HG3 PRO C 315 -4.208 27.811 -2.197 1.00 0.00 H new ATOM 0 HD2 PRO C 315 -5.999 25.879 -1.794 1.00 0.00 H new ATOM 0 HD3 PRO C 315 -4.768 25.665 -3.023 1.00 0.00 H new ATOM 2475 N GLY C 316 -1.472 24.437 1.002 1.00 0.00 N ATOM 2476 CA GLY C 316 -1.020 24.209 2.333 1.00 0.00 C ATOM 2477 C GLY C 316 -0.224 25.376 2.885 1.00 0.00 C ATOM 2478 O GLY C 316 -0.457 26.535 2.520 1.00 0.00 O ATOM 0 H GLY C 316 -0.784 24.203 0.286 1.00 0.00 H new ATOM 0 HA2 GLY C 316 -1.879 24.022 2.978 1.00 0.00 H new ATOM 0 HA3 GLY C 316 -0.403 23.310 2.355 1.00 0.00 H new ATOM 2482 N SER C 317 0.727 25.061 3.724 1.00 0.00 N ATOM 2483 CA SER C 317 1.495 26.021 4.493 1.00 0.00 C ATOM 2484 C SER C 317 2.402 26.942 3.653 1.00 0.00 C ATOM 2485 O SER C 317 2.280 28.161 3.717 1.00 0.00 O ATOM 2486 CB SER C 317 2.351 25.223 5.435 1.00 0.00 C ATOM 2487 OG SER C 317 1.728 23.974 5.678 1.00 0.00 O ATOM 0 H SER C 317 1.003 24.095 3.901 1.00 0.00 H new ATOM 0 HA SER C 317 0.792 26.687 4.994 1.00 0.00 H new ATOM 0 HB2 SER C 317 3.342 25.072 5.007 1.00 0.00 H new ATOM 0 HB3 SER C 317 2.487 25.765 6.371 1.00 0.00 H new ATOM 0 HG SER C 317 1.195 24.028 6.499 1.00 0.00 H new ATOM 2493 N ARG C 318 3.292 26.365 2.857 1.00 0.00 N ATOM 2494 CA ARG C 318 4.332 27.161 2.203 1.00 0.00 C ATOM 2495 C ARG C 318 3.975 27.676 0.824 1.00 0.00 C ATOM 2496 O ARG C 318 4.856 27.902 -0.013 1.00 0.00 O ATOM 2497 CB ARG C 318 5.672 26.442 2.179 1.00 0.00 C ATOM 2498 CG ARG C 318 6.306 26.289 3.547 1.00 0.00 C ATOM 2499 CD ARG C 318 7.754 25.860 3.434 1.00 0.00 C ATOM 2500 NE ARG C 318 8.566 26.863 2.715 1.00 0.00 N ATOM 2501 CZ ARG C 318 9.867 27.088 2.911 1.00 0.00 C ATOM 2502 NH1 ARG C 318 10.535 26.387 3.809 1.00 0.00 N1+ ATOM 2503 NH2 ARG C 318 10.497 28.027 2.203 1.00 0.00 N ATOM 0 H ARG C 318 3.319 25.367 2.648 1.00 0.00 H new ATOM 0 HA ARG C 318 4.417 28.048 2.831 1.00 0.00 H new ATOM 0 HB2 ARG C 318 5.536 25.454 1.739 1.00 0.00 H new ATOM 0 HB3 ARG C 318 6.356 26.989 1.530 1.00 0.00 H new ATOM 0 HG2 ARG C 318 6.245 27.234 4.087 1.00 0.00 H new ATOM 0 HG3 ARG C 318 5.750 25.553 4.128 1.00 0.00 H new ATOM 0 HD2 ARG C 318 8.166 25.705 4.431 1.00 0.00 H new ATOM 0 HD3 ARG C 318 7.811 24.904 2.913 1.00 0.00 H new ATOM 0 HE ARG C 318 8.094 27.430 2.011 1.00 0.00 H new ATOM 0 HH11 ARG C 318 10.057 25.671 4.356 1.00 0.00 H new ATOM 0 HH12 ARG C 318 11.529 26.562 3.956 1.00 0.00 H new ATOM 0 HH21 ARG C 318 9.984 28.574 1.511 1.00 0.00 H new ATOM 0 HH22 ARG C 318 11.491 28.198 2.354 1.00 0.00 H new ATOM 2517 N TRP C 319 2.722 27.902 0.576 1.00 0.00 N ATOM 2518 CA TRP C 319 2.373 28.535 -0.650 1.00 0.00 C ATOM 2519 C TRP C 319 2.382 30.030 -0.411 1.00 0.00 C ATOM 2520 O TRP C 319 1.466 30.571 0.202 1.00 0.00 O ATOM 2521 CB TRP C 319 1.039 28.049 -1.218 1.00 0.00 C ATOM 2522 CG TRP C 319 0.710 28.702 -2.529 1.00 0.00 C ATOM 2523 CD1 TRP C 319 1.516 28.783 -3.631 1.00 0.00 C ATOM 2524 CD2 TRP C 319 -0.512 29.351 -2.881 1.00 0.00 C ATOM 2525 NE1 TRP C 319 0.877 29.467 -4.624 1.00 0.00 N ATOM 2526 CE2 TRP C 319 -0.374 29.813 -4.197 1.00 0.00 C ATOM 2527 CE3 TRP C 319 -1.708 29.589 -2.212 1.00 0.00 C ATOM 2528 CZ2 TRP C 319 -1.384 30.496 -4.857 1.00 0.00 C ATOM 2529 CZ3 TRP C 319 -2.714 30.261 -2.867 1.00 0.00 C ATOM 2530 CH2 TRP C 319 -2.545 30.707 -4.180 1.00 0.00 C ATOM 0 H TRP C 319 1.944 27.664 1.191 1.00 0.00 H new ATOM 0 HA TRP C 319 3.105 28.270 -1.413 1.00 0.00 H new ATOM 0 HB2 TRP C 319 1.075 26.968 -1.351 1.00 0.00 H new ATOM 0 HB3 TRP C 319 0.244 28.255 -0.501 1.00 0.00 H new ATOM 0 HD1 TRP C 319 2.510 28.367 -3.704 1.00 0.00 H new ATOM 0 HE1 TRP C 319 1.271 29.685 -5.539 1.00 0.00 H new ATOM 0 HE3 TRP C 319 -1.845 29.252 -1.195 1.00 0.00 H new ATOM 0 HZ2 TRP C 319 -1.254 30.847 -5.870 1.00 0.00 H new ATOM 0 HZ3 TRP C 319 -3.649 30.447 -2.358 1.00 0.00 H new ATOM 0 HH2 TRP C 319 -3.354 31.231 -4.668 1.00 0.00 H new ATOM 2541 N ASP C 320 3.482 30.652 -0.825 1.00 0.00 N ATOM 2542 CA ASP C 320 3.748 32.093 -0.653 1.00 0.00 C ATOM 2543 C ASP C 320 2.560 32.951 -1.033 1.00 0.00 C ATOM 2544 O ASP C 320 2.091 33.773 -0.238 1.00 0.00 O ATOM 2545 CB ASP C 320 4.957 32.510 -1.498 1.00 0.00 C ATOM 2546 CG ASP C 320 5.315 33.978 -1.338 1.00 0.00 C ATOM 2547 OD1 ASP C 320 6.099 34.307 -0.425 1.00 0.00 O ATOM 2548 OD2 ASP C 320 4.850 34.816 -2.131 1.00 0.00 O1- ATOM 0 H ASP C 320 4.238 30.163 -1.303 1.00 0.00 H new ATOM 0 HA ASP C 320 3.951 32.252 0.406 1.00 0.00 H new ATOM 0 HB2 ASP C 320 5.816 31.900 -1.219 1.00 0.00 H new ATOM 0 HB3 ASP C 320 4.748 32.305 -2.548 1.00 0.00 H new ATOM 2553 N GLY C 321 2.055 32.719 -2.213 1.00 0.00 N ATOM 2554 CA GLY C 321 0.979 33.509 -2.723 1.00 0.00 C ATOM 2555 C GLY C 321 1.076 33.635 -4.204 1.00 0.00 C ATOM 2556 O GLY C 321 0.098 33.986 -4.867 1.00 0.00 O ATOM 0 H GLY C 321 2.377 31.982 -2.841 1.00 0.00 H new ATOM 0 HA2 GLY C 321 0.026 33.053 -2.453 1.00 0.00 H new ATOM 0 HA3 GLY C 321 0.999 34.499 -2.266 1.00 0.00 H new