USER MOD reduce.3.24.130724 H: found=0, std=0, add=969, rem=0, adj=28 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 89 TYR OH : rot -140:sc= 1.22 USER MOD Set 1.2: A 99 TYR OH : rot -20:sc= 0.452 USER MOD Single : A 10 ASN : amide:sc= -3.54! C(o=-3.5!,f=-6.4!) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= -0.213 USER MOD Single : A 17 ASN : amide:sc= 0.671 K(o=0.67,f=-1) USER MOD Single : A 19 ASN : amide:sc= -1.91! C(o=-1.9!,f=-2.3!) USER MOD Single : A 23 THR OG1 : rot -110:sc= -0.415 USER MOD Single : A 29 THR OG1 : rot 80:sc= 1.24 USER MOD Single : A 32 SER OG : rot 72:sc= 0.375 USER MOD Single : A 34 TYR OH : rot 40:sc= -1.88! 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 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= -0.984 USER MOD Single : A 52 GLN : amide:sc= -0.154 K(o=-0.15,f=-0.92) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ -176:sc= 1.11 (180deg=1.1) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-0.99) USER MOD Single : A 64 SER OG : rot 180:sc= -0.912 USER MOD Single : A 65 THR OG1 : rot 84:sc= 1.12 USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 73 ASN : amide:sc= -1.31! C(o=-1.3!,f=-13!) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ -140:sc= 0.721 (180deg=-1.36) USER MOD Single : A 86 HIS : no HE2:sc= -1.02 K(o=-1,f=-1.6) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ -139:sc= 1.27 (180deg=1.02) USER MOD Single : A 94 SER OG : rot 180:sc=0.000799 USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 97 LYS NZ :NH3+ 153:sc= 1.24 (180deg=1.16) USER MOD Single : A 98 TYR OH : rot -7:sc= 2.16 USER MOD Single : A 103 LYS NZ :NH3+ 148:sc= 0.272 (180deg=0.0231) USER MOD Single : B 209 MET CE :methyl 136:sc= -1.26 (180deg=-3.66!) USER MOD Single : B 213 SER OG : rot 180:sc= -0.0026 USER MOD Single : B 215 SER OG : rot -79:sc= 1.2 USER MOD Single : C 317 SER OG : rot -28:sc= 0.541 USER MOD ----------------------------------------------------------------- ATOM 128 N ASN A 10 4.814 3.292 -7.151 1.00 0.00 N ATOM 129 CA ASN A 10 5.866 4.247 -7.034 1.00 0.00 C ATOM 130 C ASN A 10 5.265 5.614 -6.708 1.00 0.00 C ATOM 131 O ASN A 10 4.669 6.296 -7.546 1.00 0.00 O ATOM 132 CB ASN A 10 6.800 4.238 -8.272 1.00 0.00 C ATOM 133 CG ASN A 10 6.136 4.560 -9.598 1.00 0.00 C ATOM 134 OD1 ASN A 10 6.082 5.685 -10.000 1.00 0.00 O ATOM 135 ND2 ASN A 10 5.645 3.559 -10.291 1.00 0.00 N ATOM 0 HA ASN A 10 6.522 3.976 -6.207 1.00 0.00 H new ATOM 0 HB2 ASN A 10 7.602 4.956 -8.104 1.00 0.00 H new ATOM 0 HB3 ASN A 10 7.263 3.254 -8.348 1.00 0.00 H new ATOM 0 HD21 ASN A 10 5.205 3.732 -11.195 1.00 0.00 H new ATOM 0 HD22 ASN A 10 5.704 2.608 -9.926 1.00 0.00 H new ATOM 142 N ALA A 11 5.354 5.948 -5.442 1.00 0.00 N ATOM 143 CA ALA A 11 4.738 7.138 -4.888 1.00 0.00 C ATOM 144 C ALA A 11 5.723 8.305 -4.778 1.00 0.00 C ATOM 145 O ALA A 11 5.443 9.313 -4.115 1.00 0.00 O ATOM 146 CB ALA A 11 4.117 6.799 -3.546 1.00 0.00 C ATOM 0 H ALA A 11 5.864 5.394 -4.754 1.00 0.00 H new ATOM 0 HA ALA A 11 3.956 7.473 -5.570 1.00 0.00 H new ATOM 0 HB1 ALA A 11 3.652 7.690 -3.125 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.362 6.025 -3.680 1.00 0.00 H new ATOM 0 HB3 ALA A 11 4.890 6.438 -2.868 1.00 0.00 H new ATOM 152 N TYR A 12 6.878 8.147 -5.386 1.00 0.00 N ATOM 153 CA TYR A 12 7.853 9.209 -5.469 1.00 0.00 C ATOM 154 C TYR A 12 7.688 9.917 -6.787 1.00 0.00 C ATOM 155 O TYR A 12 7.454 9.282 -7.819 1.00 0.00 O ATOM 156 CB TYR A 12 9.295 8.690 -5.370 1.00 0.00 C ATOM 157 CG TYR A 12 9.869 8.575 -3.983 1.00 0.00 C ATOM 158 CD1 TYR A 12 9.672 7.448 -3.200 1.00 0.00 C ATOM 159 CD2 TYR A 12 10.648 9.603 -3.472 1.00 0.00 C ATOM 160 CE1 TYR A 12 10.241 7.354 -1.942 1.00 0.00 C ATOM 161 CE2 TYR A 12 11.211 9.521 -2.223 1.00 0.00 C ATOM 162 CZ TYR A 12 11.008 8.398 -1.462 1.00 0.00 C ATOM 163 OH TYR A 12 11.588 8.310 -0.216 1.00 0.00 O ATOM 0 H TYR A 12 7.167 7.278 -5.836 1.00 0.00 H new ATOM 0 HA TYR A 12 7.681 9.881 -4.629 1.00 0.00 H new ATOM 0 HB2 TYR A 12 9.338 7.708 -5.841 1.00 0.00 H new ATOM 0 HB3 TYR A 12 9.937 9.351 -5.952 1.00 0.00 H new ATOM 0 HD1 TYR A 12 9.068 6.635 -3.576 1.00 0.00 H new ATOM 0 HD2 TYR A 12 10.815 10.487 -4.070 1.00 0.00 H new ATOM 0 HE1 TYR A 12 10.087 6.471 -1.340 1.00 0.00 H new ATOM 0 HE2 TYR A 12 11.810 10.335 -1.842 1.00 0.00 H new ATOM 0 HH TYR A 12 12.094 9.129 -0.032 1.00 0.00 H new ATOM 173 N ILE A 13 7.778 11.195 -6.771 1.00 0.00 N ATOM 174 CA ILE A 13 7.706 11.934 -7.986 1.00 0.00 C ATOM 175 C ILE A 13 8.972 12.703 -8.241 1.00 0.00 C ATOM 176 O ILE A 13 9.485 13.400 -7.366 1.00 0.00 O ATOM 177 CB ILE A 13 6.447 12.821 -8.087 1.00 0.00 C ATOM 178 CG1 ILE A 13 6.240 13.641 -6.803 1.00 0.00 C ATOM 179 CG2 ILE A 13 5.229 11.969 -8.414 1.00 0.00 C ATOM 180 CD1 ILE A 13 4.994 14.491 -6.803 1.00 0.00 C ATOM 0 H ILE A 13 7.902 11.758 -5.929 1.00 0.00 H new ATOM 0 HA ILE A 13 7.606 11.200 -8.786 1.00 0.00 H new ATOM 0 HB ILE A 13 6.588 13.534 -8.900 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.201 12.960 -5.953 1.00 0.00 H new ATOM 0 HG13 ILE A 13 7.106 14.286 -6.654 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.347 12.606 -8.483 1.00 0.00 H new ATOM 0 HG22 ILE A 13 5.385 11.461 -9.366 1.00 0.00 H new ATOM 0 HG23 ILE A 13 5.081 11.228 -7.628 1.00 0.00 H new ATOM 0 HD11 ILE A 13 4.925 15.036 -5.861 1.00 0.00 H new ATOM 0 HD12 ILE A 13 5.037 15.200 -7.630 1.00 0.00 H new ATOM 0 HD13 ILE A 13 4.118 13.853 -6.918 1.00 0.00 H new ATOM 192 N TYR A 14 9.488 12.500 -9.414 1.00 0.00 N ATOM 193 CA TYR A 14 10.692 13.120 -9.905 1.00 0.00 C ATOM 194 C TYR A 14 10.371 14.474 -10.458 1.00 0.00 C ATOM 195 O TYR A 14 9.452 14.602 -11.243 1.00 0.00 O ATOM 196 CB TYR A 14 11.281 12.199 -11.016 1.00 0.00 C ATOM 197 CG TYR A 14 12.143 12.858 -12.095 1.00 0.00 C ATOM 198 CD1 TYR A 14 13.507 13.047 -11.933 1.00 0.00 C ATOM 199 CD2 TYR A 14 11.566 13.253 -13.305 1.00 0.00 C ATOM 200 CE1 TYR A 14 14.268 13.615 -12.944 1.00 0.00 C ATOM 201 CE2 TYR A 14 12.311 13.822 -14.310 1.00 0.00 C ATOM 202 CZ TYR A 14 13.661 14.000 -14.130 1.00 0.00 C ATOM 203 OH TYR A 14 14.414 14.565 -15.141 1.00 0.00 O ATOM 0 H TYR A 14 9.064 11.867 -10.092 1.00 0.00 H new ATOM 0 HA TYR A 14 11.419 13.247 -9.103 1.00 0.00 H new ATOM 0 HB2 TYR A 14 11.880 11.428 -10.531 1.00 0.00 H new ATOM 0 HB3 TYR A 14 10.451 11.694 -11.510 1.00 0.00 H new ATOM 0 HD1 TYR A 14 13.982 12.749 -11.010 1.00 0.00 H new ATOM 0 HD2 TYR A 14 10.506 13.107 -13.454 1.00 0.00 H new ATOM 0 HE1 TYR A 14 15.330 13.757 -12.808 1.00 0.00 H new ATOM 0 HE2 TYR A 14 11.839 14.126 -15.233 1.00 0.00 H new ATOM 0 HH TYR A 14 13.834 14.775 -15.902 1.00 0.00 H new ATOM 213 N ILE A 15 11.090 15.469 -10.027 1.00 0.00 N ATOM 214 CA ILE A 15 10.983 16.772 -10.608 1.00 0.00 C ATOM 215 C ILE A 15 12.322 17.072 -11.245 1.00 0.00 C ATOM 216 O ILE A 15 13.334 17.239 -10.550 1.00 0.00 O ATOM 217 CB ILE A 15 10.621 17.937 -9.622 1.00 0.00 C ATOM 218 CG1 ILE A 15 9.399 17.629 -8.741 1.00 0.00 C ATOM 219 CG2 ILE A 15 10.347 19.204 -10.413 1.00 0.00 C ATOM 220 CD1 ILE A 15 9.713 16.835 -7.496 1.00 0.00 C ATOM 0 H ILE A 15 11.765 15.399 -9.265 1.00 0.00 H new ATOM 0 HA ILE A 15 10.149 16.737 -11.310 1.00 0.00 H new ATOM 0 HB ILE A 15 11.477 18.062 -8.959 1.00 0.00 H new ATOM 0 HG12 ILE A 15 8.930 18.569 -8.449 1.00 0.00 H new ATOM 0 HG13 ILE A 15 8.668 17.079 -9.334 1.00 0.00 H new ATOM 0 HG21 ILE A 15 10.095 20.013 -9.728 1.00 0.00 H new ATOM 0 HG22 ILE A 15 11.235 19.475 -10.985 1.00 0.00 H new ATOM 0 HG23 ILE A 15 9.514 19.034 -11.095 1.00 0.00 H new ATOM 0 HD11 ILE A 15 8.795 16.662 -6.933 1.00 0.00 H new ATOM 0 HD12 ILE A 15 10.152 15.878 -7.776 1.00 0.00 H new ATOM 0 HD13 ILE A 15 10.418 17.391 -6.878 1.00 0.00 H new ATOM 232 N GLY A 16 12.346 17.087 -12.533 1.00 0.00 N ATOM 233 CA GLY A 16 13.565 17.303 -13.237 1.00 0.00 C ATOM 234 C GLY A 16 13.520 18.528 -14.084 1.00 0.00 C ATOM 235 O GLY A 16 12.471 19.191 -14.164 1.00 0.00 O ATOM 0 H GLY A 16 11.527 16.951 -13.126 1.00 0.00 H new ATOM 0 HA2 GLY A 16 14.384 17.388 -12.523 1.00 0.00 H new ATOM 0 HA3 GLY A 16 13.778 16.438 -13.865 1.00 0.00 H new ATOM 239 N ASN A 17 14.655 18.814 -14.723 1.00 0.00 N ATOM 240 CA ASN A 17 14.866 19.992 -15.592 1.00 0.00 C ATOM 241 C ASN A 17 14.832 21.269 -14.749 1.00 0.00 C ATOM 242 O ASN A 17 14.600 22.367 -15.242 1.00 0.00 O ATOM 243 CB ASN A 17 13.824 20.074 -16.730 1.00 0.00 C ATOM 244 CG ASN A 17 14.225 21.080 -17.812 1.00 0.00 C ATOM 245 OD1 ASN A 17 15.411 21.234 -18.133 1.00 0.00 O ATOM 246 ND2 ASN A 17 13.271 21.806 -18.326 1.00 0.00 N ATOM 0 H ASN A 17 15.482 18.221 -14.654 1.00 0.00 H new ATOM 0 HA ASN A 17 15.844 19.886 -16.061 1.00 0.00 H new ATOM 0 HB2 ASN A 17 13.702 19.089 -17.180 1.00 0.00 H new ATOM 0 HB3 ASN A 17 12.857 20.357 -16.315 1.00 0.00 H new ATOM 0 HD21 ASN A 17 13.492 22.526 -19.014 1.00 0.00 H new ATOM 0 HD22 ASN A 17 12.304 21.654 -18.040 1.00 0.00 H new ATOM 253 N LEU A 18 15.109 21.118 -13.476 1.00 0.00 N ATOM 254 CA LEU A 18 15.104 22.233 -12.574 1.00 0.00 C ATOM 255 C LEU A 18 16.302 23.087 -12.822 1.00 0.00 C ATOM 256 O LEU A 18 17.355 22.598 -13.262 1.00 0.00 O ATOM 257 CB LEU A 18 15.100 21.766 -11.118 1.00 0.00 C ATOM 258 CG LEU A 18 13.838 21.073 -10.627 1.00 0.00 C ATOM 259 CD1 LEU A 18 14.069 20.496 -9.248 1.00 0.00 C ATOM 260 CD2 LEU A 18 12.675 22.049 -10.587 1.00 0.00 C ATOM 0 H LEU A 18 15.342 20.224 -13.044 1.00 0.00 H new ATOM 0 HA LEU A 18 14.196 22.810 -12.751 1.00 0.00 H new ATOM 0 HB2 LEU A 18 15.939 21.085 -10.977 1.00 0.00 H new ATOM 0 HB3 LEU A 18 15.282 22.632 -10.482 1.00 0.00 H new ATOM 0 HG LEU A 18 13.594 20.267 -11.319 1.00 0.00 H new ATOM 0 HD11 LEU A 18 13.161 20.002 -8.904 1.00 0.00 H new ATOM 0 HD12 LEU A 18 14.883 19.772 -9.288 1.00 0.00 H new ATOM 0 HD13 LEU A 18 14.330 21.298 -8.557 1.00 0.00 H new ATOM 0 HD21 LEU A 18 11.781 21.535 -10.233 1.00 0.00 H new ATOM 0 HD22 LEU A 18 12.913 22.871 -9.911 1.00 0.00 H new ATOM 0 HD23 LEU A 18 12.496 22.442 -11.588 1.00 0.00 H new ATOM 272 N ASN A 19 16.137 24.350 -12.609 1.00 0.00 N ATOM 273 CA ASN A 19 17.216 25.288 -12.702 1.00 0.00 C ATOM 274 C ASN A 19 18.185 25.015 -11.573 1.00 0.00 C ATOM 275 O ASN A 19 17.823 24.393 -10.565 1.00 0.00 O ATOM 276 CB ASN A 19 16.698 26.702 -12.598 1.00 0.00 C ATOM 277 CG ASN A 19 15.758 27.107 -13.687 1.00 0.00 C ATOM 278 OD1 ASN A 19 14.593 26.814 -13.622 1.00 0.00 O ATOM 279 ND2 ASN A 19 16.245 27.844 -14.650 1.00 0.00 N ATOM 0 H ASN A 19 15.240 24.769 -12.362 1.00 0.00 H new ATOM 0 HA ASN A 19 17.715 25.177 -13.665 1.00 0.00 H new ATOM 0 HB2 ASN A 19 16.193 26.819 -11.639 1.00 0.00 H new ATOM 0 HB3 ASN A 19 17.547 27.386 -12.597 1.00 0.00 H new ATOM 0 HD21 ASN A 19 15.630 28.194 -15.385 1.00 0.00 H new ATOM 0 HD22 ASN A 19 17.240 28.069 -14.667 1.00 0.00 H new ATOM 286 N ARG A 20 19.366 25.524 -11.693 1.00 0.00 N ATOM 287 CA ARG A 20 20.428 25.212 -10.769 1.00 0.00 C ATOM 288 C ARG A 20 20.229 25.972 -9.441 1.00 0.00 C ATOM 289 O ARG A 20 20.756 25.584 -8.397 1.00 0.00 O ATOM 290 CB ARG A 20 21.758 25.584 -11.414 1.00 0.00 C ATOM 291 CG ARG A 20 22.971 24.950 -10.782 1.00 0.00 C ATOM 292 CD ARG A 20 22.990 23.447 -10.994 1.00 0.00 C ATOM 293 NE ARG A 20 24.194 22.848 -10.439 1.00 0.00 N ATOM 294 CZ ARG A 20 24.834 21.776 -10.918 1.00 0.00 C ATOM 295 NH1 ARG A 20 24.443 21.193 -12.050 1.00 0.00 N1+ ATOM 296 NH2 ARG A 20 25.875 21.299 -10.259 1.00 0.00 N ATOM 0 H ARG A 20 19.632 26.172 -12.435 1.00 0.00 H new ATOM 0 HA ARG A 20 20.420 24.146 -10.542 1.00 0.00 H new ATOM 0 HB2 ARG A 20 21.726 25.302 -12.466 1.00 0.00 H new ATOM 0 HB3 ARG A 20 21.872 26.667 -11.378 1.00 0.00 H new ATOM 0 HG2 ARG A 20 23.874 25.389 -11.206 1.00 0.00 H new ATOM 0 HG3 ARG A 20 22.981 25.168 -9.714 1.00 0.00 H new ATOM 0 HD2 ARG A 20 22.112 23.001 -10.527 1.00 0.00 H new ATOM 0 HD3 ARG A 20 22.931 23.228 -12.060 1.00 0.00 H new ATOM 0 HE ARG A 20 24.587 23.287 -9.606 1.00 0.00 H new ATOM 0 HH11 ARG A 20 23.644 21.564 -12.565 1.00 0.00 H new ATOM 0 HH12 ARG A 20 24.942 20.376 -12.402 1.00 0.00 H new ATOM 0 HH21 ARG A 20 26.182 21.748 -9.396 1.00 0.00 H new ATOM 0 HH22 ARG A 20 26.372 20.482 -10.613 1.00 0.00 H new ATOM 310 N GLU A 21 19.478 27.049 -9.504 1.00 0.00 N ATOM 311 CA GLU A 21 19.183 27.882 -8.350 1.00 0.00 C ATOM 312 C GLU A 21 17.891 27.484 -7.618 1.00 0.00 C ATOM 313 O GLU A 21 17.598 28.014 -6.540 1.00 0.00 O ATOM 314 CB GLU A 21 19.205 29.405 -8.687 1.00 0.00 C ATOM 315 CG GLU A 21 18.547 29.825 -9.994 1.00 0.00 C ATOM 316 CD GLU A 21 19.349 29.451 -11.229 1.00 0.00 C ATOM 317 OE1 GLU A 21 20.255 30.204 -11.618 1.00 0.00 O ATOM 318 OE2 GLU A 21 19.095 28.387 -11.816 1.00 0.00 O1- ATOM 0 H GLU A 21 19.047 27.379 -10.368 1.00 0.00 H new ATOM 0 HA GLU A 21 19.998 27.693 -7.652 1.00 0.00 H new ATOM 0 HB2 GLU A 21 18.717 29.941 -7.873 1.00 0.00 H new ATOM 0 HB3 GLU A 21 20.244 29.734 -8.708 1.00 0.00 H new ATOM 0 HG2 GLU A 21 17.561 29.365 -10.059 1.00 0.00 H new ATOM 0 HG3 GLU A 21 18.395 30.904 -9.984 1.00 0.00 H new ATOM 325 N LEU A 22 17.132 26.559 -8.183 1.00 0.00 N ATOM 326 CA LEU A 22 15.914 26.089 -7.526 1.00 0.00 C ATOM 327 C LEU A 22 16.263 25.112 -6.401 1.00 0.00 C ATOM 328 O LEU A 22 16.907 24.079 -6.624 1.00 0.00 O ATOM 329 CB LEU A 22 14.930 25.454 -8.533 1.00 0.00 C ATOM 330 CG LEU A 22 14.319 26.409 -9.577 1.00 0.00 C ATOM 331 CD1 LEU A 22 13.498 25.664 -10.593 1.00 0.00 C ATOM 332 CD2 LEU A 22 13.439 27.443 -8.912 1.00 0.00 C ATOM 0 H LEU A 22 17.330 26.121 -9.083 1.00 0.00 H new ATOM 0 HA LEU A 22 15.411 26.953 -7.091 1.00 0.00 H new ATOM 0 HB2 LEU A 22 15.448 24.654 -9.062 1.00 0.00 H new ATOM 0 HB3 LEU A 22 14.117 24.992 -7.973 1.00 0.00 H new ATOM 0 HG LEU A 22 15.152 26.900 -10.080 1.00 0.00 H new ATOM 0 HD11 LEU A 22 13.083 26.369 -11.313 1.00 0.00 H new ATOM 0 HD12 LEU A 22 14.129 24.943 -11.113 1.00 0.00 H new ATOM 0 HD13 LEU A 22 12.686 25.139 -10.090 1.00 0.00 H new ATOM 0 HD21 LEU A 22 13.020 28.105 -9.669 1.00 0.00 H new ATOM 0 HD22 LEU A 22 12.630 26.944 -8.378 1.00 0.00 H new ATOM 0 HD23 LEU A 22 14.032 28.027 -8.208 1.00 0.00 H new ATOM 344 N THR A 23 15.883 25.477 -5.202 1.00 0.00 N ATOM 345 CA THR A 23 16.130 24.691 -4.019 1.00 0.00 C ATOM 346 C THR A 23 14.799 24.121 -3.472 1.00 0.00 C ATOM 347 O THR A 23 13.734 24.499 -3.943 1.00 0.00 O ATOM 348 CB THR A 23 16.915 25.540 -2.955 1.00 0.00 C ATOM 349 OG1 THR A 23 17.080 24.850 -1.712 1.00 0.00 O ATOM 350 CG2 THR A 23 16.247 26.860 -2.699 1.00 0.00 C ATOM 0 H THR A 23 15.383 26.347 -5.017 1.00 0.00 H new ATOM 0 HA THR A 23 16.762 23.839 -4.268 1.00 0.00 H new ATOM 0 HB THR A 23 17.902 25.710 -3.386 1.00 0.00 H new ATOM 0 HG1 THR A 23 16.526 25.276 -1.025 1.00 0.00 H new ATOM 0 HG21 THR A 23 16.818 27.419 -1.958 1.00 0.00 H new ATOM 0 HG22 THR A 23 16.200 27.430 -3.627 1.00 0.00 H new ATOM 0 HG23 THR A 23 15.237 26.690 -2.326 1.00 0.00 H new ATOM 358 N GLU A 24 14.880 23.261 -2.453 1.00 0.00 N ATOM 359 CA GLU A 24 13.729 22.508 -1.871 1.00 0.00 C ATOM 360 C GLU A 24 12.555 23.399 -1.569 1.00 0.00 C ATOM 361 O GLU A 24 11.429 23.080 -1.903 1.00 0.00 O ATOM 362 CB GLU A 24 14.146 21.905 -0.566 1.00 0.00 C ATOM 363 CG GLU A 24 15.404 21.138 -0.647 1.00 0.00 C ATOM 364 CD GLU A 24 16.250 21.421 0.525 1.00 0.00 C ATOM 365 OE1 GLU A 24 16.510 22.626 0.788 1.00 0.00 O ATOM 366 OE2 GLU A 24 16.769 20.496 1.132 1.00 0.00 O1- ATOM 0 H GLU A 24 15.763 23.053 -1.987 1.00 0.00 H new ATOM 0 HA GLU A 24 13.439 21.759 -2.608 1.00 0.00 H new ATOM 0 HB2 GLU A 24 14.261 22.699 0.172 1.00 0.00 H new ATOM 0 HB3 GLU A 24 13.352 21.249 -0.208 1.00 0.00 H new ATOM 0 HG2 GLU A 24 15.185 20.071 -0.697 1.00 0.00 H new ATOM 0 HG3 GLU A 24 15.938 21.397 -1.561 1.00 0.00 H new ATOM 373 N GLY A 25 12.845 24.530 -0.943 1.00 0.00 N ATOM 374 CA GLY A 25 11.816 25.455 -0.519 1.00 0.00 C ATOM 375 C GLY A 25 11.013 25.988 -1.661 1.00 0.00 C ATOM 376 O GLY A 25 9.831 26.295 -1.502 1.00 0.00 O ATOM 0 H GLY A 25 13.795 24.827 -0.718 1.00 0.00 H new ATOM 0 HA2 GLY A 25 11.151 24.955 0.185 1.00 0.00 H new ATOM 0 HA3 GLY A 25 12.278 26.286 0.014 1.00 0.00 H new ATOM 380 N ASP A 26 11.638 26.065 -2.804 1.00 0.00 N ATOM 381 CA ASP A 26 11.005 26.555 -4.006 1.00 0.00 C ATOM 382 C ASP A 26 10.067 25.477 -4.542 1.00 0.00 C ATOM 383 O ASP A 26 8.892 25.740 -4.828 1.00 0.00 O ATOM 384 CB ASP A 26 12.061 26.899 -5.032 1.00 0.00 C ATOM 385 CG ASP A 26 11.509 27.693 -6.161 1.00 0.00 C ATOM 386 OD1 ASP A 26 10.902 27.120 -7.053 1.00 0.00 O ATOM 387 OD2 ASP A 26 11.716 28.931 -6.154 1.00 0.00 O1- ATOM 0 H ASP A 26 12.611 25.787 -2.932 1.00 0.00 H new ATOM 0 HA ASP A 26 10.430 27.455 -3.789 1.00 0.00 H new ATOM 0 HB2 ASP A 26 12.862 27.461 -4.552 1.00 0.00 H new ATOM 0 HB3 ASP A 26 12.503 25.980 -5.418 1.00 0.00 H new ATOM 392 N ILE A 27 10.577 24.237 -4.596 1.00 0.00 N ATOM 393 CA ILE A 27 9.762 23.076 -4.979 1.00 0.00 C ATOM 394 C ILE A 27 8.567 22.964 -4.018 1.00 0.00 C ATOM 395 O ILE A 27 7.437 22.743 -4.432 1.00 0.00 O ATOM 396 CB ILE A 27 10.567 21.700 -5.001 1.00 0.00 C ATOM 397 CG1 ILE A 27 11.567 21.601 -6.168 1.00 0.00 C ATOM 398 CG2 ILE A 27 9.648 20.495 -5.033 1.00 0.00 C ATOM 399 CD1 ILE A 27 12.848 22.349 -5.977 1.00 0.00 C ATOM 0 H ILE A 27 11.548 24.014 -4.380 1.00 0.00 H new ATOM 0 HA ILE A 27 9.430 23.247 -6.003 1.00 0.00 H new ATOM 0 HB ILE A 27 11.130 21.695 -4.068 1.00 0.00 H new ATOM 0 HG12 ILE A 27 11.801 20.550 -6.336 1.00 0.00 H new ATOM 0 HG13 ILE A 27 11.082 21.968 -7.072 1.00 0.00 H new ATOM 0 HG21 ILE A 27 10.244 19.583 -5.047 1.00 0.00 H new ATOM 0 HG22 ILE A 27 9.012 20.499 -4.148 1.00 0.00 H new ATOM 0 HG23 ILE A 27 9.026 20.536 -5.927 1.00 0.00 H new ATOM 0 HD11 ILE A 27 13.482 22.215 -6.854 1.00 0.00 H new ATOM 0 HD12 ILE A 27 12.634 23.409 -5.843 1.00 0.00 H new ATOM 0 HD13 ILE A 27 13.363 21.969 -5.095 1.00 0.00 H new ATOM 411 N LEU A 28 8.825 23.175 -2.739 1.00 0.00 N ATOM 412 CA LEU A 28 7.778 23.145 -1.735 1.00 0.00 C ATOM 413 C LEU A 28 6.731 24.184 -2.025 1.00 0.00 C ATOM 414 O LEU A 28 5.561 23.933 -1.832 1.00 0.00 O ATOM 415 CB LEU A 28 8.318 23.402 -0.347 1.00 0.00 C ATOM 416 CG LEU A 28 9.326 22.426 0.200 1.00 0.00 C ATOM 417 CD1 LEU A 28 9.724 22.856 1.581 1.00 0.00 C ATOM 418 CD2 LEU A 28 8.757 21.024 0.218 1.00 0.00 C ATOM 0 H LEU A 28 9.756 23.370 -2.371 1.00 0.00 H new ATOM 0 HA LEU A 28 7.345 22.146 -1.773 1.00 0.00 H new ATOM 0 HB2 LEU A 28 8.772 24.393 -0.341 1.00 0.00 H new ATOM 0 HB3 LEU A 28 7.474 23.434 0.341 1.00 0.00 H new ATOM 0 HG LEU A 28 10.206 22.417 -0.442 1.00 0.00 H new ATOM 0 HD11 LEU A 28 10.454 22.154 1.984 1.00 0.00 H new ATOM 0 HD12 LEU A 28 10.163 23.853 1.539 1.00 0.00 H new ATOM 0 HD13 LEU A 28 8.844 22.874 2.224 1.00 0.00 H new ATOM 0 HD21 LEU A 28 9.501 20.334 0.617 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.867 21.001 0.847 1.00 0.00 H new ATOM 0 HD23 LEU A 28 8.492 20.726 -0.796 1.00 0.00 H new ATOM 430 N THR A 29 7.168 25.338 -2.487 1.00 0.00 N ATOM 431 CA THR A 29 6.284 26.430 -2.815 1.00 0.00 C ATOM 432 C THR A 29 5.270 25.998 -3.875 1.00 0.00 C ATOM 433 O THR A 29 4.075 26.078 -3.633 1.00 0.00 O ATOM 434 CB THR A 29 7.096 27.667 -3.290 1.00 0.00 C ATOM 435 OG1 THR A 29 7.975 28.079 -2.235 1.00 0.00 O ATOM 436 CG2 THR A 29 6.193 28.838 -3.681 1.00 0.00 C ATOM 0 H THR A 29 8.155 25.543 -2.645 1.00 0.00 H new ATOM 0 HA THR A 29 5.735 26.713 -1.917 1.00 0.00 H new ATOM 0 HB THR A 29 7.660 27.377 -4.177 1.00 0.00 H new ATOM 0 HG1 THR A 29 8.764 27.498 -2.221 1.00 0.00 H new ATOM 0 HG21 THR A 29 6.807 29.678 -4.006 1.00 0.00 H new ATOM 0 HG22 THR A 29 5.535 28.534 -4.495 1.00 0.00 H new ATOM 0 HG23 THR A 29 5.593 29.138 -2.822 1.00 0.00 H new ATOM 444 N VAL A 30 5.759 25.445 -4.989 1.00 0.00 N ATOM 445 CA VAL A 30 4.877 25.037 -6.092 1.00 0.00 C ATOM 446 C VAL A 30 3.964 23.848 -5.713 1.00 0.00 C ATOM 447 O VAL A 30 2.860 23.702 -6.224 1.00 0.00 O ATOM 448 CB VAL A 30 5.650 24.763 -7.431 1.00 0.00 C ATOM 449 CG1 VAL A 30 6.419 25.992 -7.868 1.00 0.00 C ATOM 450 CG2 VAL A 30 6.588 23.576 -7.330 1.00 0.00 C ATOM 0 H VAL A 30 6.750 25.270 -5.153 1.00 0.00 H new ATOM 0 HA VAL A 30 4.230 25.895 -6.276 1.00 0.00 H new ATOM 0 HB VAL A 30 4.896 24.521 -8.181 1.00 0.00 H new ATOM 0 HG11 VAL A 30 6.947 25.779 -8.798 1.00 0.00 H new ATOM 0 HG12 VAL A 30 5.726 26.818 -8.025 1.00 0.00 H new ATOM 0 HG13 VAL A 30 7.139 26.264 -7.096 1.00 0.00 H new ATOM 0 HG21 VAL A 30 7.096 23.432 -8.283 1.00 0.00 H new ATOM 0 HG22 VAL A 30 7.326 23.761 -6.550 1.00 0.00 H new ATOM 0 HG23 VAL A 30 6.017 22.681 -7.084 1.00 0.00 H new ATOM 460 N PHE A 31 4.419 23.013 -4.802 1.00 0.00 N ATOM 461 CA PHE A 31 3.605 21.898 -4.338 1.00 0.00 C ATOM 462 C PHE A 31 2.592 22.338 -3.282 1.00 0.00 C ATOM 463 O PHE A 31 1.528 21.728 -3.128 1.00 0.00 O ATOM 464 CB PHE A 31 4.466 20.724 -3.860 1.00 0.00 C ATOM 465 CG PHE A 31 5.066 19.926 -4.995 1.00 0.00 C ATOM 466 CD1 PHE A 31 6.108 20.422 -5.748 1.00 0.00 C ATOM 467 CD2 PHE A 31 4.576 18.681 -5.301 1.00 0.00 C ATOM 468 CE1 PHE A 31 6.646 19.694 -6.788 1.00 0.00 C ATOM 469 CE2 PHE A 31 5.109 17.949 -6.334 1.00 0.00 C ATOM 470 CZ PHE A 31 6.144 18.454 -7.079 1.00 0.00 C ATOM 0 H PHE A 31 5.340 23.080 -4.368 1.00 0.00 H new ATOM 0 HA PHE A 31 3.033 21.539 -5.193 1.00 0.00 H new ATOM 0 HB2 PHE A 31 5.268 21.104 -3.227 1.00 0.00 H new ATOM 0 HB3 PHE A 31 3.858 20.064 -3.242 1.00 0.00 H new ATOM 0 HD1 PHE A 31 6.510 21.398 -5.520 1.00 0.00 H new ATOM 0 HD2 PHE A 31 3.761 18.272 -4.722 1.00 0.00 H new ATOM 0 HE1 PHE A 31 7.460 20.100 -7.370 1.00 0.00 H new ATOM 0 HE2 PHE A 31 4.711 16.971 -6.561 1.00 0.00 H new ATOM 0 HZ PHE A 31 6.561 17.876 -7.891 1.00 0.00 H new ATOM 480 N SER A 32 2.883 23.436 -2.610 1.00 0.00 N ATOM 481 CA SER A 32 1.986 23.961 -1.597 1.00 0.00 C ATOM 482 C SER A 32 0.802 24.666 -2.238 1.00 0.00 C ATOM 483 O SER A 32 -0.156 25.018 -1.562 1.00 0.00 O ATOM 484 CB SER A 32 2.707 24.911 -0.638 1.00 0.00 C ATOM 485 OG SER A 32 3.760 24.251 0.048 1.00 0.00 O ATOM 0 H SER A 32 3.734 23.982 -2.747 1.00 0.00 H new ATOM 0 HA SER A 32 1.622 23.112 -1.018 1.00 0.00 H new ATOM 0 HB2 SER A 32 3.108 25.758 -1.195 1.00 0.00 H new ATOM 0 HB3 SER A 32 1.995 25.312 0.084 1.00 0.00 H new ATOM 0 HG SER A 32 4.498 24.079 -0.573 1.00 0.00 H new ATOM 491 N GLU A 33 0.884 24.861 -3.544 1.00 0.00 N ATOM 492 CA GLU A 33 -0.152 25.531 -4.293 1.00 0.00 C ATOM 493 C GLU A 33 -1.350 24.616 -4.492 1.00 0.00 C ATOM 494 O GLU A 33 -2.447 25.073 -4.793 1.00 0.00 O ATOM 495 CB GLU A 33 0.404 26.019 -5.628 1.00 0.00 C ATOM 496 CG GLU A 33 1.663 26.833 -5.441 1.00 0.00 C ATOM 497 CD GLU A 33 2.193 27.459 -6.688 1.00 0.00 C ATOM 498 OE1 GLU A 33 2.823 26.749 -7.518 1.00 0.00 O1- ATOM 499 OE2 GLU A 33 2.023 28.679 -6.853 1.00 0.00 O ATOM 0 H GLU A 33 1.675 24.556 -4.111 1.00 0.00 H new ATOM 0 HA GLU A 33 -0.494 26.398 -3.728 1.00 0.00 H new ATOM 0 HB2 GLU A 33 0.615 25.164 -6.270 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -0.348 26.622 -6.137 1.00 0.00 H new ATOM 0 HG2 GLU A 33 1.466 27.619 -4.712 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.435 26.191 -5.017 1.00 0.00 H new ATOM 506 N TYR A 34 -1.145 23.318 -4.323 1.00 0.00 N ATOM 507 CA TYR A 34 -2.253 22.395 -4.428 1.00 0.00 C ATOM 508 C TYR A 34 -2.424 21.598 -3.133 1.00 0.00 C ATOM 509 O TYR A 34 -3.516 21.158 -2.819 1.00 0.00 O ATOM 510 CB TYR A 34 -2.126 21.449 -5.657 1.00 0.00 C ATOM 511 CG TYR A 34 -1.084 20.348 -5.536 1.00 0.00 C ATOM 512 CD1 TYR A 34 -1.414 19.142 -4.931 1.00 0.00 C ATOM 513 CD2 TYR A 34 0.209 20.505 -6.015 1.00 0.00 C ATOM 514 CE1 TYR A 34 -0.502 18.137 -4.801 1.00 0.00 C ATOM 515 CE2 TYR A 34 1.137 19.485 -5.889 1.00 0.00 C ATOM 516 CZ TYR A 34 0.764 18.300 -5.272 1.00 0.00 C ATOM 517 OH TYR A 34 1.662 17.276 -5.129 1.00 0.00 O ATOM 0 H TYR A 34 -0.241 22.892 -4.117 1.00 0.00 H new ATOM 0 HA TYR A 34 -3.151 22.993 -4.585 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -3.096 20.987 -5.839 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -1.891 22.052 -6.534 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -2.416 18.997 -4.555 1.00 0.00 H new ATOM 0 HD2 TYR A 34 0.494 21.432 -6.491 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -0.785 17.210 -4.324 1.00 0.00 H new ATOM 0 HE2 TYR A 34 2.141 19.611 -6.267 1.00 0.00 H new ATOM 0 HH TYR A 34 1.213 16.421 -5.298 1.00 0.00 H new ATOM 527 N GLY A 35 -1.339 21.399 -2.395 1.00 0.00 N ATOM 528 CA GLY A 35 -1.433 20.638 -1.186 1.00 0.00 C ATOM 529 C GLY A 35 -0.328 20.933 -0.215 1.00 0.00 C ATOM 530 O GLY A 35 0.159 22.059 -0.142 1.00 0.00 O ATOM 0 H GLY A 35 -0.408 21.751 -2.618 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -2.391 20.843 -0.709 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -1.419 19.576 -1.431 1.00 0.00 H new ATOM 534 N VAL A 36 0.069 19.922 0.518 1.00 0.00 N ATOM 535 CA VAL A 36 1.082 20.038 1.553 1.00 0.00 C ATOM 536 C VAL A 36 2.218 19.066 1.210 1.00 0.00 C ATOM 537 O VAL A 36 1.955 17.989 0.708 1.00 0.00 O ATOM 538 CB VAL A 36 0.478 19.647 2.949 1.00 0.00 C ATOM 539 CG1 VAL A 36 1.468 19.864 4.080 1.00 0.00 C ATOM 540 CG2 VAL A 36 -0.811 20.402 3.225 1.00 0.00 C ATOM 0 H VAL A 36 -0.305 18.978 0.415 1.00 0.00 H new ATOM 0 HA VAL A 36 1.446 21.064 1.603 1.00 0.00 H new ATOM 0 HB VAL A 36 0.253 18.581 2.904 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.007 19.580 5.026 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.354 19.252 3.910 1.00 0.00 H new ATOM 0 HG13 VAL A 36 1.754 20.915 4.116 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.203 20.109 4.199 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -0.613 21.474 3.222 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -1.543 20.166 2.453 1.00 0.00 H new ATOM 550 N PRO A 37 3.481 19.441 1.404 1.00 0.00 N ATOM 551 CA PRO A 37 4.599 18.541 1.152 1.00 0.00 C ATOM 552 C PRO A 37 4.907 17.607 2.353 1.00 0.00 C ATOM 553 O PRO A 37 4.755 17.990 3.516 1.00 0.00 O ATOM 554 CB PRO A 37 5.751 19.503 0.912 1.00 0.00 C ATOM 555 CG PRO A 37 5.432 20.706 1.745 1.00 0.00 C ATOM 556 CD PRO A 37 3.931 20.781 1.840 1.00 0.00 C ATOM 0 HA PRO A 37 4.401 17.860 0.324 1.00 0.00 H new ATOM 0 HB2 PRO A 37 6.703 19.060 1.206 1.00 0.00 H new ATOM 0 HB3 PRO A 37 5.834 19.764 -0.143 1.00 0.00 H new ATOM 0 HG2 PRO A 37 5.879 20.620 2.736 1.00 0.00 H new ATOM 0 HG3 PRO A 37 5.837 21.610 1.290 1.00 0.00 H new ATOM 0 HD2 PRO A 37 3.605 21.001 2.857 1.00 0.00 H new ATOM 0 HD3 PRO A 37 3.529 21.566 1.200 1.00 0.00 H new ATOM 564 N VAL A 38 5.327 16.386 2.051 1.00 0.00 N ATOM 565 CA VAL A 38 5.667 15.387 3.070 1.00 0.00 C ATOM 566 C VAL A 38 7.170 15.142 3.103 1.00 0.00 C ATOM 567 O VAL A 38 7.834 15.385 4.111 1.00 0.00 O ATOM 568 CB VAL A 38 4.912 14.061 2.797 1.00 0.00 C ATOM 569 CG1 VAL A 38 5.417 12.917 3.648 1.00 0.00 C ATOM 570 CG2 VAL A 38 3.444 14.252 3.024 1.00 0.00 C ATOM 0 H VAL A 38 5.444 16.054 1.094 1.00 0.00 H new ATOM 0 HA VAL A 38 5.360 15.771 4.043 1.00 0.00 H new ATOM 0 HB VAL A 38 5.098 13.796 1.756 1.00 0.00 H new ATOM 0 HG11 VAL A 38 4.853 12.014 3.415 1.00 0.00 H new ATOM 0 HG12 VAL A 38 6.474 12.748 3.441 1.00 0.00 H new ATOM 0 HG13 VAL A 38 5.289 13.163 4.702 1.00 0.00 H new ATOM 0 HG21 VAL A 38 2.921 13.316 2.830 1.00 0.00 H new ATOM 0 HG22 VAL A 38 3.272 14.557 4.056 1.00 0.00 H new ATOM 0 HG23 VAL A 38 3.069 15.023 2.351 1.00 0.00 H new ATOM 580 N ASP A 39 7.689 14.666 2.007 1.00 0.00 N ATOM 581 CA ASP A 39 9.105 14.423 1.866 1.00 0.00 C ATOM 582 C ASP A 39 9.533 15.148 0.646 1.00 0.00 C ATOM 583 O ASP A 39 8.813 15.136 -0.355 1.00 0.00 O ATOM 584 CB ASP A 39 9.465 12.917 1.645 1.00 0.00 C ATOM 585 CG ASP A 39 9.248 11.961 2.820 1.00 0.00 C ATOM 586 OD1 ASP A 39 8.152 11.372 2.954 1.00 0.00 O1- ATOM 587 OD2 ASP A 39 10.205 11.703 3.572 1.00 0.00 O ATOM 0 H ASP A 39 7.142 14.433 1.178 1.00 0.00 H new ATOM 0 HA ASP A 39 9.595 14.747 2.784 1.00 0.00 H new ATOM 0 HB2 ASP A 39 8.880 12.551 0.801 1.00 0.00 H new ATOM 0 HB3 ASP A 39 10.514 12.861 1.354 1.00 0.00 H new ATOM 592 N VAL A 40 10.639 15.799 0.707 1.00 0.00 N ATOM 593 CA VAL A 40 11.203 16.402 -0.452 1.00 0.00 C ATOM 594 C VAL A 40 12.674 16.216 -0.367 1.00 0.00 C ATOM 595 O VAL A 40 13.259 16.319 0.712 1.00 0.00 O ATOM 596 CB VAL A 40 10.850 17.926 -0.646 1.00 0.00 C ATOM 597 CG1 VAL A 40 11.499 18.812 0.408 1.00 0.00 C ATOM 598 CG2 VAL A 40 11.233 18.402 -2.045 1.00 0.00 C ATOM 0 H VAL A 40 11.181 15.930 1.561 1.00 0.00 H new ATOM 0 HA VAL A 40 10.771 15.914 -1.326 1.00 0.00 H new ATOM 0 HB VAL A 40 9.770 18.013 -0.525 1.00 0.00 H new ATOM 0 HG11 VAL A 40 11.224 19.851 0.229 1.00 0.00 H new ATOM 0 HG12 VAL A 40 11.156 18.511 1.398 1.00 0.00 H new ATOM 0 HG13 VAL A 40 12.583 18.709 0.353 1.00 0.00 H new ATOM 0 HG21 VAL A 40 10.979 19.456 -2.153 1.00 0.00 H new ATOM 0 HG22 VAL A 40 12.305 18.270 -2.194 1.00 0.00 H new ATOM 0 HG23 VAL A 40 10.689 17.820 -2.789 1.00 0.00 H new ATOM 608 N ILE A 41 13.247 15.859 -1.442 1.00 0.00 N ATOM 609 CA ILE A 41 14.654 15.699 -1.501 1.00 0.00 C ATOM 610 C ILE A 41 15.185 16.321 -2.733 1.00 0.00 C ATOM 611 O ILE A 41 14.752 16.011 -3.847 1.00 0.00 O ATOM 612 CB ILE A 41 15.196 14.232 -1.327 1.00 0.00 C ATOM 613 CG1 ILE A 41 14.525 13.192 -2.264 1.00 0.00 C ATOM 614 CG2 ILE A 41 15.110 13.794 0.119 1.00 0.00 C ATOM 615 CD1 ILE A 41 13.108 12.774 -1.876 1.00 0.00 C ATOM 0 H ILE A 41 12.759 15.666 -2.317 1.00 0.00 H new ATOM 0 HA ILE A 41 15.029 16.216 -0.618 1.00 0.00 H new ATOM 0 HB ILE A 41 16.242 14.266 -1.630 1.00 0.00 H new ATOM 0 HG12 ILE A 41 14.500 13.602 -3.274 1.00 0.00 H new ATOM 0 HG13 ILE A 41 15.152 12.301 -2.297 1.00 0.00 H new ATOM 0 HG21 ILE A 41 15.490 12.777 0.214 1.00 0.00 H new ATOM 0 HG22 ILE A 41 15.707 14.464 0.738 1.00 0.00 H new ATOM 0 HG23 ILE A 41 14.071 13.825 0.447 1.00 0.00 H new ATOM 0 HD11 ILE A 41 12.734 12.046 -2.596 1.00 0.00 H new ATOM 0 HD12 ILE A 41 13.120 12.328 -0.881 1.00 0.00 H new ATOM 0 HD13 ILE A 41 12.458 13.649 -1.874 1.00 0.00 H new ATOM 627 N LEU A 42 16.072 17.217 -2.542 1.00 0.00 N ATOM 628 CA LEU A 42 16.688 17.903 -3.621 1.00 0.00 C ATOM 629 C LEU A 42 17.976 17.177 -3.853 1.00 0.00 C ATOM 630 O LEU A 42 18.770 17.002 -2.918 1.00 0.00 O ATOM 631 CB LEU A 42 16.909 19.394 -3.237 1.00 0.00 C ATOM 632 CG LEU A 42 17.298 20.422 -4.343 1.00 0.00 C ATOM 633 CD1 LEU A 42 18.666 20.172 -4.922 1.00 0.00 C ATOM 634 CD2 LEU A 42 16.266 20.456 -5.449 1.00 0.00 C ATOM 0 H LEU A 42 16.400 17.504 -1.620 1.00 0.00 H new ATOM 0 HA LEU A 42 16.083 17.914 -4.528 1.00 0.00 H new ATOM 0 HB2 LEU A 42 15.992 19.750 -2.768 1.00 0.00 H new ATOM 0 HB3 LEU A 42 17.688 19.423 -2.475 1.00 0.00 H new ATOM 0 HG LEU A 42 17.326 21.394 -3.851 1.00 0.00 H new ATOM 0 HD11 LEU A 42 18.880 20.919 -5.686 1.00 0.00 H new ATOM 0 HD12 LEU A 42 19.413 20.237 -4.131 1.00 0.00 H new ATOM 0 HD13 LEU A 42 18.696 19.178 -5.368 1.00 0.00 H new ATOM 0 HD21 LEU A 42 16.566 21.182 -6.204 1.00 0.00 H new ATOM 0 HD22 LEU A 42 16.189 19.469 -5.905 1.00 0.00 H new ATOM 0 HD23 LEU A 42 15.299 20.741 -5.035 1.00 0.00 H new ATOM 646 N SER A 43 18.173 16.711 -5.054 1.00 0.00 N ATOM 647 CA SER A 43 19.342 15.969 -5.369 1.00 0.00 C ATOM 648 C SER A 43 20.516 16.929 -5.421 1.00 0.00 C ATOM 649 O SER A 43 20.687 17.694 -6.375 1.00 0.00 O ATOM 650 CB SER A 43 19.167 15.192 -6.693 1.00 0.00 C ATOM 651 OG SER A 43 20.207 14.235 -6.894 1.00 0.00 O ATOM 0 H SER A 43 17.526 16.838 -5.833 1.00 0.00 H new ATOM 0 HA SER A 43 19.529 15.220 -4.600 1.00 0.00 H new ATOM 0 HB2 SER A 43 18.203 14.684 -6.690 1.00 0.00 H new ATOM 0 HB3 SER A 43 19.155 15.894 -7.526 1.00 0.00 H new ATOM 0 HG SER A 43 20.059 13.764 -7.741 1.00 0.00 H new ATOM 657 N ARG A 44 21.207 16.991 -4.327 1.00 0.00 N ATOM 658 CA ARG A 44 22.388 17.770 -4.198 1.00 0.00 C ATOM 659 C ARG A 44 23.542 16.853 -4.229 1.00 0.00 C ATOM 660 O ARG A 44 23.391 15.658 -3.972 1.00 0.00 O ATOM 661 CB ARG A 44 22.424 18.522 -2.868 1.00 0.00 C ATOM 662 CG ARG A 44 21.421 19.631 -2.731 1.00 0.00 C ATOM 663 CD ARG A 44 21.552 20.300 -1.382 1.00 0.00 C ATOM 664 NE ARG A 44 20.697 21.473 -1.275 1.00 0.00 N ATOM 665 CZ ARG A 44 19.599 21.550 -0.544 1.00 0.00 C ATOM 666 NH1 ARG A 44 19.228 20.527 0.210 1.00 0.00 N1+ ATOM 667 NH2 ARG A 44 18.885 22.662 -0.546 1.00 0.00 N ATOM 0 H ARG A 44 20.954 16.485 -3.478 1.00 0.00 H new ATOM 0 HA ARG A 44 22.415 18.496 -5.010 1.00 0.00 H new ATOM 0 HB2 ARG A 44 22.263 17.807 -2.061 1.00 0.00 H new ATOM 0 HB3 ARG A 44 23.422 18.938 -2.732 1.00 0.00 H new ATOM 0 HG2 ARG A 44 21.571 20.365 -3.523 1.00 0.00 H new ATOM 0 HG3 ARG A 44 20.413 19.234 -2.850 1.00 0.00 H new ATOM 0 HD2 ARG A 44 21.294 19.589 -0.597 1.00 0.00 H new ATOM 0 HD3 ARG A 44 22.590 20.591 -1.220 1.00 0.00 H new ATOM 0 HE ARG A 44 20.967 22.301 -1.806 1.00 0.00 H new ATOM 0 HH11 ARG A 44 19.790 19.676 0.228 1.00 0.00 H new ATOM 0 HH12 ARG A 44 18.380 20.590 0.773 1.00 0.00 H new ATOM 0 HH21 ARG A 44 19.182 23.458 -1.111 1.00 0.00 H new ATOM 0 HH22 ARG A 44 18.037 22.725 0.017 1.00 0.00 H new ATOM 681 N ASP A 45 24.679 17.365 -4.561 1.00 0.00 N ATOM 682 CA ASP A 45 25.867 16.578 -4.468 1.00 0.00 C ATOM 683 C ASP A 45 26.169 16.363 -2.999 1.00 0.00 C ATOM 684 O ASP A 45 26.216 17.327 -2.229 1.00 0.00 O ATOM 685 CB ASP A 45 27.036 17.243 -5.153 1.00 0.00 C ATOM 686 CG ASP A 45 28.285 16.426 -4.990 1.00 0.00 C ATOM 687 OD1 ASP A 45 28.481 15.470 -5.757 1.00 0.00 O ATOM 688 OD2 ASP A 45 29.069 16.702 -4.071 1.00 0.00 O1- ATOM 0 H ASP A 45 24.813 18.318 -4.897 1.00 0.00 H new ATOM 0 HA ASP A 45 25.708 15.625 -4.973 1.00 0.00 H new ATOM 0 HB2 ASP A 45 26.817 17.372 -6.213 1.00 0.00 H new ATOM 0 HB3 ASP A 45 27.190 18.238 -4.735 1.00 0.00 H new ATOM 693 N GLU A 46 26.364 15.120 -2.623 1.00 0.00 N ATOM 694 CA GLU A 46 26.552 14.710 -1.235 1.00 0.00 C ATOM 695 C GLU A 46 27.794 15.351 -0.594 1.00 0.00 C ATOM 696 O GLU A 46 27.892 15.459 0.628 1.00 0.00 O ATOM 697 CB GLU A 46 26.633 13.176 -1.168 1.00 0.00 C ATOM 698 CG GLU A 46 26.691 12.581 0.234 1.00 0.00 C ATOM 699 CD GLU A 46 26.792 11.078 0.217 1.00 0.00 C ATOM 700 OE1 GLU A 46 27.916 10.549 0.101 1.00 0.00 O1- ATOM 701 OE2 GLU A 46 25.746 10.389 0.329 1.00 0.00 O ATOM 0 H GLU A 46 26.398 14.342 -3.282 1.00 0.00 H new ATOM 0 HA GLU A 46 25.695 15.061 -0.660 1.00 0.00 H new ATOM 0 HB2 GLU A 46 25.767 12.761 -1.684 1.00 0.00 H new ATOM 0 HB3 GLU A 46 27.517 12.852 -1.718 1.00 0.00 H new ATOM 0 HG2 GLU A 46 27.548 12.994 0.766 1.00 0.00 H new ATOM 0 HG3 GLU A 46 25.800 12.876 0.788 1.00 0.00 H new ATOM 708 N ASN A 47 28.699 15.817 -1.410 1.00 0.00 N ATOM 709 CA ASN A 47 29.950 16.341 -0.929 1.00 0.00 C ATOM 710 C ASN A 47 29.921 17.841 -0.779 1.00 0.00 C ATOM 711 O ASN A 47 30.289 18.371 0.266 1.00 0.00 O ATOM 712 CB ASN A 47 31.088 15.932 -1.855 1.00 0.00 C ATOM 713 CG ASN A 47 31.237 14.439 -1.944 1.00 0.00 C ATOM 714 OD1 ASN A 47 31.923 13.835 -1.130 1.00 0.00 O ATOM 715 ND2 ASN A 47 30.615 13.830 -2.930 1.00 0.00 N ATOM 0 H ASN A 47 28.592 15.845 -2.424 1.00 0.00 H new ATOM 0 HA ASN A 47 30.116 15.916 0.061 1.00 0.00 H new ATOM 0 HB2 ASN A 47 30.908 16.338 -2.851 1.00 0.00 H new ATOM 0 HB3 ASN A 47 32.021 16.368 -1.497 1.00 0.00 H new ATOM 0 HD21 ASN A 47 30.695 12.819 -3.036 1.00 0.00 H new ATOM 0 HD22 ASN A 47 30.052 14.369 -3.588 1.00 0.00 H new ATOM 722 N THR A 48 29.489 18.531 -1.801 1.00 0.00 N ATOM 723 CA THR A 48 29.507 19.986 -1.769 1.00 0.00 C ATOM 724 C THR A 48 28.184 20.576 -1.297 1.00 0.00 C ATOM 725 O THR A 48 28.145 21.701 -0.791 1.00 0.00 O ATOM 726 CB THR A 48 29.935 20.612 -3.134 1.00 0.00 C ATOM 727 OG1 THR A 48 29.721 22.033 -3.142 1.00 0.00 O ATOM 728 CG2 THR A 48 29.212 19.959 -4.284 1.00 0.00 C ATOM 0 H THR A 48 29.122 18.123 -2.661 1.00 0.00 H new ATOM 0 HA THR A 48 30.267 20.251 -1.034 1.00 0.00 H new ATOM 0 HB THR A 48 31.002 20.429 -3.259 1.00 0.00 H new ATOM 0 HG1 THR A 48 29.998 22.401 -4.007 1.00 0.00 H new ATOM 0 HG21 THR A 48 29.531 20.416 -5.221 1.00 0.00 H new ATOM 0 HG22 THR A 48 29.444 18.894 -4.302 1.00 0.00 H new ATOM 0 HG23 THR A 48 28.137 20.094 -4.162 1.00 0.00 H new ATOM 736 N GLY A 49 27.118 19.840 -1.466 1.00 0.00 N ATOM 737 CA GLY A 49 25.825 20.320 -1.058 1.00 0.00 C ATOM 738 C GLY A 49 25.192 21.267 -2.055 1.00 0.00 C ATOM 739 O GLY A 49 24.229 21.955 -1.728 1.00 0.00 O ATOM 0 H GLY A 49 27.119 18.909 -1.882 1.00 0.00 H new ATOM 0 HA2 GLY A 49 25.162 19.469 -0.905 1.00 0.00 H new ATOM 0 HA3 GLY A 49 25.920 20.826 -0.097 1.00 0.00 H new ATOM 743 N GLU A 50 25.713 21.312 -3.269 1.00 0.00 N ATOM 744 CA GLU A 50 25.117 22.155 -4.280 1.00 0.00 C ATOM 745 C GLU A 50 24.063 21.362 -5.054 1.00 0.00 C ATOM 746 O GLU A 50 24.155 20.125 -5.137 1.00 0.00 O ATOM 747 CB GLU A 50 26.157 22.789 -5.230 1.00 0.00 C ATOM 748 CG GLU A 50 26.979 21.820 -6.058 1.00 0.00 C ATOM 749 CD GLU A 50 27.540 22.470 -7.299 1.00 0.00 C ATOM 750 OE1 GLU A 50 26.761 22.754 -8.230 1.00 0.00 O1- ATOM 751 OE2 GLU A 50 28.750 22.727 -7.372 1.00 0.00 O ATOM 0 H GLU A 50 26.532 20.784 -3.571 1.00 0.00 H new ATOM 0 HA GLU A 50 24.638 22.991 -3.771 1.00 0.00 H new ATOM 0 HB2 GLU A 50 25.636 23.464 -5.909 1.00 0.00 H new ATOM 0 HB3 GLU A 50 26.839 23.398 -4.636 1.00 0.00 H new ATOM 0 HG2 GLU A 50 27.797 21.429 -5.452 1.00 0.00 H new ATOM 0 HG3 GLU A 50 26.359 20.970 -6.343 1.00 0.00 H new ATOM 758 N SER A 51 23.070 22.061 -5.581 1.00 0.00 N ATOM 759 CA SER A 51 21.959 21.460 -6.309 1.00 0.00 C ATOM 760 C SER A 51 22.445 20.813 -7.599 1.00 0.00 C ATOM 761 O SER A 51 23.382 21.293 -8.212 1.00 0.00 O ATOM 762 CB SER A 51 20.909 22.550 -6.641 1.00 0.00 C ATOM 763 OG SER A 51 19.792 22.017 -7.357 1.00 0.00 O ATOM 0 H SER A 51 23.011 23.077 -5.515 1.00 0.00 H new ATOM 0 HA SER A 51 21.509 20.690 -5.682 1.00 0.00 H new ATOM 0 HB2 SER A 51 20.561 23.011 -5.717 1.00 0.00 H new ATOM 0 HB3 SER A 51 21.377 23.336 -7.233 1.00 0.00 H new ATOM 0 HG SER A 51 19.152 22.735 -7.546 1.00 0.00 H new ATOM 769 N GLN A 52 21.842 19.695 -7.971 1.00 0.00 N ATOM 770 CA GLN A 52 22.135 19.068 -9.249 1.00 0.00 C ATOM 771 C GLN A 52 21.060 19.431 -10.276 1.00 0.00 C ATOM 772 O GLN A 52 21.173 19.073 -11.460 1.00 0.00 O ATOM 773 CB GLN A 52 22.232 17.541 -9.130 1.00 0.00 C ATOM 774 CG GLN A 52 23.360 17.031 -8.245 1.00 0.00 C ATOM 775 CD GLN A 52 23.439 15.515 -8.247 1.00 0.00 C ATOM 776 OE1 GLN A 52 23.090 14.861 -9.229 1.00 0.00 O ATOM 777 NE2 GLN A 52 23.880 14.945 -7.163 1.00 0.00 N ATOM 0 H GLN A 52 21.148 19.204 -7.407 1.00 0.00 H new ATOM 0 HA GLN A 52 23.104 19.444 -9.578 1.00 0.00 H new ATOM 0 HB2 GLN A 52 21.287 17.162 -8.741 1.00 0.00 H new ATOM 0 HB3 GLN A 52 22.357 17.122 -10.128 1.00 0.00 H new ATOM 0 HG2 GLN A 52 24.308 17.444 -8.590 1.00 0.00 H new ATOM 0 HG3 GLN A 52 23.210 17.385 -7.225 1.00 0.00 H new ATOM 0 HE21 GLN A 52 24.162 15.515 -6.365 1.00 0.00 H new ATOM 0 HE22 GLN A 52 23.944 13.928 -7.111 1.00 0.00 H new ATOM 786 N GLY A 53 20.030 20.151 -9.827 1.00 0.00 N ATOM 787 CA GLY A 53 18.941 20.542 -10.711 1.00 0.00 C ATOM 788 C GLY A 53 17.865 19.472 -10.824 1.00 0.00 C ATOM 789 O GLY A 53 17.141 19.410 -11.822 1.00 0.00 O ATOM 0 H GLY A 53 19.931 20.471 -8.864 1.00 0.00 H new ATOM 0 HA2 GLY A 53 18.493 21.465 -10.343 1.00 0.00 H new ATOM 0 HA3 GLY A 53 19.341 20.755 -11.702 1.00 0.00 H new ATOM 793 N PHE A 54 17.763 18.625 -9.814 1.00 0.00 N ATOM 794 CA PHE A 54 16.775 17.546 -9.797 1.00 0.00 C ATOM 795 C PHE A 54 16.248 17.365 -8.387 1.00 0.00 C ATOM 796 O PHE A 54 16.991 17.550 -7.421 1.00 0.00 O ATOM 797 CB PHE A 54 17.387 16.216 -10.300 1.00 0.00 C ATOM 798 CG PHE A 54 17.827 16.241 -11.741 1.00 0.00 C ATOM 799 CD1 PHE A 54 16.913 16.023 -12.754 1.00 0.00 C ATOM 800 CD2 PHE A 54 19.146 16.496 -12.081 1.00 0.00 C ATOM 801 CE1 PHE A 54 17.300 16.056 -14.076 1.00 0.00 C ATOM 802 CE2 PHE A 54 19.540 16.533 -13.402 1.00 0.00 C ATOM 803 CZ PHE A 54 18.614 16.313 -14.402 1.00 0.00 C ATOM 0 H PHE A 54 18.356 18.660 -8.985 1.00 0.00 H new ATOM 0 HA PHE A 54 15.959 17.818 -10.467 1.00 0.00 H new ATOM 0 HB2 PHE A 54 18.244 15.965 -9.675 1.00 0.00 H new ATOM 0 HB3 PHE A 54 16.654 15.420 -10.170 1.00 0.00 H new ATOM 0 HD1 PHE A 54 15.881 15.824 -12.506 1.00 0.00 H new ATOM 0 HD2 PHE A 54 19.874 16.668 -11.302 1.00 0.00 H new ATOM 0 HE1 PHE A 54 16.574 15.881 -14.856 1.00 0.00 H new ATOM 0 HE2 PHE A 54 20.571 16.734 -13.654 1.00 0.00 H new ATOM 0 HZ PHE A 54 18.919 16.342 -15.438 1.00 0.00 H new ATOM 813 N ALA A 55 14.989 17.027 -8.261 1.00 0.00 N ATOM 814 CA ALA A 55 14.374 16.821 -6.964 1.00 0.00 C ATOM 815 C ALA A 55 13.391 15.674 -7.023 1.00 0.00 C ATOM 816 O ALA A 55 13.036 15.208 -8.104 1.00 0.00 O ATOM 817 CB ALA A 55 13.654 18.081 -6.504 1.00 0.00 C ATOM 0 H ALA A 55 14.358 16.886 -9.050 1.00 0.00 H new ATOM 0 HA ALA A 55 15.163 16.583 -6.251 1.00 0.00 H new ATOM 0 HB1 ALA A 55 13.200 17.905 -5.529 1.00 0.00 H new ATOM 0 HB2 ALA A 55 14.368 18.901 -6.429 1.00 0.00 H new ATOM 0 HB3 ALA A 55 12.878 18.340 -7.224 1.00 0.00 H new ATOM 823 N TYR A 56 12.985 15.210 -5.872 1.00 0.00 N ATOM 824 CA TYR A 56 11.977 14.177 -5.734 1.00 0.00 C ATOM 825 C TYR A 56 11.102 14.584 -4.563 1.00 0.00 C ATOM 826 O TYR A 56 11.606 15.198 -3.613 1.00 0.00 O ATOM 827 CB TYR A 56 12.616 12.799 -5.447 1.00 0.00 C ATOM 828 CG TYR A 56 13.663 12.352 -6.452 1.00 0.00 C ATOM 829 CD1 TYR A 56 13.303 11.690 -7.612 1.00 0.00 C ATOM 830 CD2 TYR A 56 15.013 12.604 -6.232 1.00 0.00 C ATOM 831 CE1 TYR A 56 14.258 11.289 -8.530 1.00 0.00 C ATOM 832 CE2 TYR A 56 15.970 12.209 -7.139 1.00 0.00 C ATOM 833 CZ TYR A 56 15.588 11.553 -8.286 1.00 0.00 C ATOM 834 OH TYR A 56 16.547 11.154 -9.190 1.00 0.00 O ATOM 0 H TYR A 56 13.350 15.543 -4.980 1.00 0.00 H new ATOM 0 HA TYR A 56 11.407 14.081 -6.658 1.00 0.00 H new ATOM 0 HB2 TYR A 56 13.073 12.827 -4.458 1.00 0.00 H new ATOM 0 HB3 TYR A 56 11.825 12.050 -5.412 1.00 0.00 H new ATOM 0 HD1 TYR A 56 12.261 11.483 -7.804 1.00 0.00 H new ATOM 0 HD2 TYR A 56 15.316 13.119 -5.333 1.00 0.00 H new ATOM 0 HE1 TYR A 56 13.963 10.773 -9.431 1.00 0.00 H new ATOM 0 HE2 TYR A 56 17.014 12.413 -6.951 1.00 0.00 H new ATOM 0 HH TYR A 56 17.433 11.419 -8.866 1.00 0.00 H new ATOM 844 N LEU A 57 9.829 14.293 -4.613 1.00 0.00 N ATOM 845 CA LEU A 57 8.942 14.692 -3.533 1.00 0.00 C ATOM 846 C LEU A 57 7.890 13.607 -3.287 1.00 0.00 C ATOM 847 O LEU A 57 7.701 12.710 -4.125 1.00 0.00 O ATOM 848 CB LEU A 57 8.311 16.082 -3.872 1.00 0.00 C ATOM 849 CG LEU A 57 7.572 16.848 -2.743 1.00 0.00 C ATOM 850 CD1 LEU A 57 7.675 18.336 -2.972 1.00 0.00 C ATOM 851 CD2 LEU A 57 6.109 16.482 -2.711 1.00 0.00 C ATOM 0 H LEU A 57 9.379 13.788 -5.377 1.00 0.00 H new ATOM 0 HA LEU A 57 9.501 14.802 -2.603 1.00 0.00 H new ATOM 0 HB2 LEU A 57 9.107 16.726 -4.246 1.00 0.00 H new ATOM 0 HB3 LEU A 57 7.607 15.937 -4.692 1.00 0.00 H new ATOM 0 HG LEU A 57 8.040 16.573 -1.798 1.00 0.00 H new ATOM 0 HD11 LEU A 57 7.153 18.864 -2.174 1.00 0.00 H new ATOM 0 HD12 LEU A 57 8.724 18.632 -2.977 1.00 0.00 H new ATOM 0 HD13 LEU A 57 7.222 18.589 -3.931 1.00 0.00 H new ATOM 0 HD21 LEU A 57 5.614 17.032 -1.911 1.00 0.00 H new ATOM 0 HD22 LEU A 57 5.649 16.737 -3.666 1.00 0.00 H new ATOM 0 HD23 LEU A 57 6.006 15.412 -2.533 1.00 0.00 H new ATOM 863 N LYS A 58 7.278 13.656 -2.117 1.00 0.00 N ATOM 864 CA LYS A 58 6.206 12.762 -1.726 1.00 0.00 C ATOM 865 C LYS A 58 5.126 13.508 -0.981 1.00 0.00 C ATOM 866 O LYS A 58 5.420 14.423 -0.191 1.00 0.00 O ATOM 867 CB LYS A 58 6.680 11.729 -0.719 1.00 0.00 C ATOM 868 CG LYS A 58 7.653 10.684 -1.184 1.00 0.00 C ATOM 869 CD LYS A 58 8.159 9.879 0.010 1.00 0.00 C ATOM 870 CE LYS A 58 7.026 9.255 0.830 1.00 0.00 C ATOM 871 NZ LYS A 58 7.509 8.787 2.134 1.00 0.00 N1+ ATOM 0 H LYS A 58 7.520 14.336 -1.396 1.00 0.00 H new ATOM 0 HA LYS A 58 5.854 12.311 -2.654 1.00 0.00 H new ATOM 0 HB2 LYS A 58 7.136 12.261 0.116 1.00 0.00 H new ATOM 0 HB3 LYS A 58 5.801 11.216 -0.328 1.00 0.00 H new ATOM 0 HG2 LYS A 58 7.172 10.021 -1.903 1.00 0.00 H new ATOM 0 HG3 LYS A 58 8.491 11.157 -1.697 1.00 0.00 H new ATOM 0 HD2 LYS A 58 8.822 9.090 -0.345 1.00 0.00 H new ATOM 0 HD3 LYS A 58 8.753 10.528 0.654 1.00 0.00 H new ATOM 0 HE2 LYS A 58 6.232 9.988 0.975 1.00 0.00 H new ATOM 0 HE3 LYS A 58 6.592 8.420 0.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 6.736 8.309 2.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 8.296 8.121 1.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 7.838 9.599 2.694 1.00 0.00 H new ATOM 885 N TYR A 59 3.909 13.130 -1.237 1.00 0.00 N ATOM 886 CA TYR A 59 2.803 13.445 -0.371 1.00 0.00 C ATOM 887 C TYR A 59 2.280 12.095 0.086 1.00 0.00 C ATOM 888 O TYR A 59 2.418 11.116 -0.656 1.00 0.00 O ATOM 889 CB TYR A 59 1.690 14.271 -1.060 1.00 0.00 C ATOM 890 CG TYR A 59 0.503 14.581 -0.134 1.00 0.00 C ATOM 891 CD1 TYR A 59 0.637 15.435 0.949 1.00 0.00 C ATOM 892 CD2 TYR A 59 -0.730 14.005 -0.341 1.00 0.00 C ATOM 893 CE1 TYR A 59 -0.423 15.702 1.798 1.00 0.00 C ATOM 894 CE2 TYR A 59 -1.801 14.269 0.499 1.00 0.00 C ATOM 895 CZ TYR A 59 -1.642 15.115 1.563 1.00 0.00 C ATOM 896 OH TYR A 59 -2.708 15.356 2.408 1.00 0.00 O ATOM 0 H TYR A 59 3.649 12.588 -2.061 1.00 0.00 H new ATOM 0 HA TYR A 59 3.129 14.080 0.453 1.00 0.00 H new ATOM 0 HB2 TYR A 59 2.114 15.208 -1.423 1.00 0.00 H new ATOM 0 HB3 TYR A 59 1.329 13.726 -1.932 1.00 0.00 H new ATOM 0 HD1 TYR A 59 1.592 15.904 1.135 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -0.866 13.333 -1.176 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -0.292 16.367 2.639 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -2.760 13.808 0.314 1.00 0.00 H new ATOM 0 HH TYR A 59 -3.493 14.862 2.093 1.00 0.00 H new ATOM 906 N GLU A 60 1.696 12.011 1.268 1.00 0.00 N ATOM 907 CA GLU A 60 1.264 10.727 1.807 1.00 0.00 C ATOM 908 C GLU A 60 -0.107 10.254 1.275 1.00 0.00 C ATOM 909 O GLU A 60 -0.836 9.500 1.929 1.00 0.00 O ATOM 910 CB GLU A 60 1.405 10.660 3.341 1.00 0.00 C ATOM 911 CG GLU A 60 0.869 11.844 4.119 1.00 0.00 C ATOM 912 CD GLU A 60 1.140 11.695 5.603 1.00 0.00 C ATOM 913 OE1 GLU A 60 2.335 11.696 6.021 1.00 0.00 O ATOM 914 OE2 GLU A 60 0.178 11.569 6.384 1.00 0.00 O1- ATOM 0 H GLU A 60 1.509 12.811 1.873 1.00 0.00 H new ATOM 0 HA GLU A 60 1.961 9.986 1.415 1.00 0.00 H new ATOM 0 HB2 GLU A 60 0.896 9.762 3.692 1.00 0.00 H new ATOM 0 HB3 GLU A 60 2.461 10.543 3.582 1.00 0.00 H new ATOM 0 HG2 GLU A 60 1.330 12.761 3.753 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -0.204 11.937 3.950 1.00 0.00 H new ATOM 921 N ASP A 61 -0.396 10.665 0.056 1.00 0.00 N ATOM 922 CA ASP A 61 -1.554 10.241 -0.708 1.00 0.00 C ATOM 923 C ASP A 61 -1.124 10.194 -2.163 1.00 0.00 C ATOM 924 O ASP A 61 -0.549 11.168 -2.690 1.00 0.00 O ATOM 925 CB ASP A 61 -2.761 11.177 -0.535 1.00 0.00 C ATOM 926 CG ASP A 61 -3.966 10.726 -1.339 1.00 0.00 C ATOM 927 OD1 ASP A 61 -3.993 10.946 -2.545 1.00 0.00 O ATOM 928 OD2 ASP A 61 -4.899 10.124 -0.765 1.00 0.00 O1- ATOM 0 H ASP A 61 0.191 11.329 -0.449 1.00 0.00 H new ATOM 0 HA ASP A 61 -1.886 9.266 -0.350 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -3.030 11.226 0.520 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -2.481 12.185 -0.840 1.00 0.00 H new ATOM 933 N GLN A 62 -1.385 9.100 -2.807 1.00 0.00 N ATOM 934 CA GLN A 62 -0.897 8.864 -4.155 1.00 0.00 C ATOM 935 C GLN A 62 -1.717 9.619 -5.229 1.00 0.00 C ATOM 936 O GLN A 62 -1.227 9.874 -6.326 1.00 0.00 O ATOM 937 CB GLN A 62 -0.833 7.354 -4.399 1.00 0.00 C ATOM 938 CG GLN A 62 -0.361 6.908 -5.770 1.00 0.00 C ATOM 939 CD GLN A 62 -0.348 5.400 -5.877 1.00 0.00 C ATOM 940 OE1 GLN A 62 -1.131 4.711 -5.220 1.00 0.00 O ATOM 941 NE2 GLN A 62 0.508 4.875 -6.684 1.00 0.00 N ATOM 0 H GLN A 62 -1.942 8.336 -2.424 1.00 0.00 H new ATOM 0 HA GLN A 62 0.109 9.274 -4.246 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -0.172 6.916 -3.652 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -1.826 6.939 -4.229 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -1.015 7.324 -6.536 1.00 0.00 H new ATOM 0 HG3 GLN A 62 0.639 7.298 -5.958 1.00 0.00 H new ATOM 0 HE21 GLN A 62 1.143 5.473 -7.214 1.00 0.00 H new ATOM 0 HE22 GLN A 62 0.551 3.862 -6.793 1.00 0.00 H new ATOM 950 N ARG A 63 -2.907 10.059 -4.885 1.00 0.00 N ATOM 951 CA ARG A 63 -3.768 10.762 -5.837 1.00 0.00 C ATOM 952 C ARG A 63 -3.294 12.203 -5.980 1.00 0.00 C ATOM 953 O ARG A 63 -3.345 12.793 -7.054 1.00 0.00 O ATOM 954 CB ARG A 63 -5.209 10.771 -5.338 1.00 0.00 C ATOM 955 CG ARG A 63 -5.825 9.406 -5.099 1.00 0.00 C ATOM 956 CD ARG A 63 -7.124 9.550 -4.325 1.00 0.00 C ATOM 957 NE ARG A 63 -6.885 10.176 -3.014 1.00 0.00 N ATOM 958 CZ ARG A 63 -7.789 10.819 -2.270 1.00 0.00 C ATOM 959 NH1 ARG A 63 -9.056 10.926 -2.673 1.00 0.00 N1+ ATOM 960 NH2 ARG A 63 -7.418 11.331 -1.110 1.00 0.00 N ATOM 0 H ARG A 63 -3.309 9.947 -3.954 1.00 0.00 H new ATOM 0 HA ARG A 63 -3.719 10.250 -6.798 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -5.249 11.337 -4.407 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -5.823 11.306 -6.063 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -6.013 8.911 -6.052 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -5.130 8.776 -4.544 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -7.829 10.153 -4.898 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -7.581 8.570 -4.187 1.00 0.00 H new ATOM 0 HE ARG A 63 -5.939 10.113 -2.638 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -9.346 10.514 -3.560 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -9.735 11.420 -2.094 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -6.453 11.232 -0.794 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -8.096 11.825 -0.530 1.00 0.00 H new ATOM 974 N SER A 64 -2.766 12.732 -4.901 1.00 0.00 N ATOM 975 CA SER A 64 -2.328 14.119 -4.850 1.00 0.00 C ATOM 976 C SER A 64 -0.986 14.193 -5.555 1.00 0.00 C ATOM 977 O SER A 64 -0.608 15.195 -6.185 1.00 0.00 O ATOM 978 CB SER A 64 -2.218 14.544 -3.389 1.00 0.00 C ATOM 979 OG SER A 64 -1.970 15.921 -3.245 1.00 0.00 O ATOM 0 H SER A 64 -2.625 12.218 -4.031 1.00 0.00 H new ATOM 0 HA SER A 64 -3.032 14.791 -5.342 1.00 0.00 H new ATOM 0 HB2 SER A 64 -3.141 14.288 -2.869 1.00 0.00 H new ATOM 0 HB3 SER A 64 -1.416 13.982 -2.910 1.00 0.00 H new ATOM 0 HG SER A 64 -1.909 16.145 -2.293 1.00 0.00 H new ATOM 985 N THR A 65 -0.315 13.088 -5.472 1.00 0.00 N ATOM 986 CA THR A 65 0.896 12.826 -6.146 1.00 0.00 C ATOM 987 C THR A 65 0.655 12.937 -7.689 1.00 0.00 C ATOM 988 O THR A 65 1.400 13.617 -8.412 1.00 0.00 O ATOM 989 CB THR A 65 1.309 11.410 -5.703 1.00 0.00 C ATOM 990 OG1 THR A 65 1.707 11.410 -4.317 1.00 0.00 O ATOM 991 CG2 THR A 65 2.354 10.794 -6.563 1.00 0.00 C ATOM 0 H THR A 65 -0.625 12.305 -4.896 1.00 0.00 H new ATOM 0 HA THR A 65 1.691 13.534 -5.911 1.00 0.00 H new ATOM 0 HB THR A 65 0.426 10.782 -5.821 1.00 0.00 H new ATOM 0 HG1 THR A 65 0.913 11.327 -3.749 1.00 0.00 H new ATOM 0 HG21 THR A 65 2.593 9.798 -6.189 1.00 0.00 H new ATOM 0 HG22 THR A 65 1.985 10.718 -7.586 1.00 0.00 H new ATOM 0 HG23 THR A 65 3.251 11.413 -6.546 1.00 0.00 H new ATOM 999 N ILE A 66 -0.447 12.337 -8.146 1.00 0.00 N ATOM 1000 CA ILE A 66 -0.863 12.389 -9.548 1.00 0.00 C ATOM 1001 C ILE A 66 -1.204 13.830 -9.959 1.00 0.00 C ATOM 1002 O ILE A 66 -0.880 14.264 -11.073 1.00 0.00 O ATOM 1003 CB ILE A 66 -2.080 11.448 -9.787 1.00 0.00 C ATOM 1004 CG1 ILE A 66 -1.661 9.998 -9.513 1.00 0.00 C ATOM 1005 CG2 ILE A 66 -2.654 11.600 -11.203 1.00 0.00 C ATOM 1006 CD1 ILE A 66 -2.785 8.999 -9.589 1.00 0.00 C ATOM 0 H ILE A 66 -1.078 11.800 -7.551 1.00 0.00 H new ATOM 0 HA ILE A 66 -0.034 12.046 -10.167 1.00 0.00 H new ATOM 0 HB ILE A 66 -2.876 11.731 -9.098 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -0.890 9.714 -10.230 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.210 9.944 -8.522 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -3.501 10.925 -11.327 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -2.984 12.628 -11.354 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -1.885 11.355 -11.936 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.399 8.001 -9.382 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -3.548 9.253 -8.853 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -3.223 9.019 -10.587 1.00 0.00 H new ATOM 1018 N LEU A 67 -1.820 14.578 -9.039 1.00 0.00 N ATOM 1019 CA LEU A 67 -2.159 15.982 -9.285 1.00 0.00 C ATOM 1020 C LEU A 67 -0.922 16.793 -9.609 1.00 0.00 C ATOM 1021 O LEU A 67 -0.943 17.619 -10.501 1.00 0.00 O ATOM 1022 CB LEU A 67 -2.896 16.617 -8.102 1.00 0.00 C ATOM 1023 CG LEU A 67 -4.296 16.091 -7.808 1.00 0.00 C ATOM 1024 CD1 LEU A 67 -4.869 16.783 -6.580 1.00 0.00 C ATOM 1025 CD2 LEU A 67 -5.214 16.304 -9.010 1.00 0.00 C ATOM 0 H LEU A 67 -2.094 14.235 -8.118 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.830 15.992 -10.144 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.287 16.481 -7.209 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.966 17.690 -8.280 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.229 15.021 -7.611 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.869 16.399 -6.380 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.227 16.589 -5.721 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -4.922 17.857 -6.759 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -6.209 15.922 -8.780 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -5.277 17.369 -9.235 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -4.812 15.774 -9.873 1.00 0.00 H new ATOM 1037 N ALA A 68 0.159 16.534 -8.897 1.00 0.00 N ATOM 1038 CA ALA A 68 1.417 17.220 -9.151 1.00 0.00 C ATOM 1039 C ALA A 68 1.909 16.914 -10.551 1.00 0.00 C ATOM 1040 O ALA A 68 2.222 17.831 -11.330 1.00 0.00 O ATOM 1041 CB ALA A 68 2.456 16.792 -8.154 1.00 0.00 C ATOM 0 H ALA A 68 0.194 15.854 -8.138 1.00 0.00 H new ATOM 0 HA ALA A 68 1.247 18.292 -9.055 1.00 0.00 H new ATOM 0 HB1 ALA A 68 3.391 17.313 -8.357 1.00 0.00 H new ATOM 0 HB2 ALA A 68 2.116 17.035 -7.147 1.00 0.00 H new ATOM 0 HB3 ALA A 68 2.615 15.717 -8.234 1.00 0.00 H new ATOM 1047 N VAL A 69 1.916 15.623 -10.869 1.00 0.00 N ATOM 1048 CA VAL A 69 2.385 15.105 -12.156 1.00 0.00 C ATOM 1049 C VAL A 69 1.626 15.731 -13.335 1.00 0.00 C ATOM 1050 O VAL A 69 2.222 16.108 -14.338 1.00 0.00 O ATOM 1051 CB VAL A 69 2.241 13.549 -12.223 1.00 0.00 C ATOM 1052 CG1 VAL A 69 2.777 12.986 -13.532 1.00 0.00 C ATOM 1053 CG2 VAL A 69 2.938 12.890 -11.055 1.00 0.00 C ATOM 0 H VAL A 69 1.592 14.895 -10.233 1.00 0.00 H new ATOM 0 HA VAL A 69 3.438 15.376 -12.235 1.00 0.00 H new ATOM 0 HB VAL A 69 1.175 13.326 -12.171 1.00 0.00 H new ATOM 0 HG11 VAL A 69 2.658 11.903 -13.538 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.224 13.416 -14.367 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.834 13.236 -13.630 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.823 11.808 -11.126 1.00 0.00 H new ATOM 0 HG22 VAL A 69 3.998 13.144 -11.073 1.00 0.00 H new ATOM 0 HG23 VAL A 69 2.497 13.242 -10.122 1.00 0.00 H new ATOM 1063 N ASP A 70 0.331 15.859 -13.200 1.00 0.00 N ATOM 1064 CA ASP A 70 -0.494 16.346 -14.302 1.00 0.00 C ATOM 1065 C ASP A 70 -0.662 17.874 -14.311 1.00 0.00 C ATOM 1066 O ASP A 70 -0.929 18.468 -15.355 1.00 0.00 O ATOM 1067 CB ASP A 70 -1.856 15.636 -14.297 1.00 0.00 C ATOM 1068 CG ASP A 70 -2.751 16.028 -15.461 1.00 0.00 C ATOM 1069 OD1 ASP A 70 -2.321 15.901 -16.626 1.00 0.00 O ATOM 1070 OD2 ASP A 70 -3.918 16.414 -15.233 1.00 0.00 O1- ATOM 0 H ASP A 70 -0.183 15.637 -12.347 1.00 0.00 H new ATOM 0 HA ASP A 70 0.034 16.103 -15.224 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -1.695 14.558 -14.321 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -2.370 15.861 -13.363 1.00 0.00 H new ATOM 1075 N ASN A 71 -0.448 18.520 -13.185 1.00 0.00 N ATOM 1076 CA ASN A 71 -0.696 19.968 -13.103 1.00 0.00 C ATOM 1077 C ASN A 71 0.567 20.769 -13.329 1.00 0.00 C ATOM 1078 O ASN A 71 0.674 21.517 -14.297 1.00 0.00 O ATOM 1079 CB ASN A 71 -1.315 20.364 -11.743 1.00 0.00 C ATOM 1080 CG ASN A 71 -1.594 21.866 -11.615 1.00 0.00 C ATOM 1081 OD1 ASN A 71 -1.908 22.535 -12.581 1.00 0.00 O ATOM 1082 ND2 ASN A 71 -1.478 22.392 -10.419 1.00 0.00 N ATOM 0 H ASN A 71 -0.110 18.090 -12.324 1.00 0.00 H new ATOM 0 HA ASN A 71 -1.406 20.201 -13.897 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -2.247 19.816 -11.603 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -0.641 20.058 -10.943 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -1.653 23.387 -10.280 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -1.213 21.806 -9.628 1.00 0.00 H new ATOM 1089 N LEU A 72 1.547 20.555 -12.482 1.00 0.00 N ATOM 1090 CA LEU A 72 2.742 21.381 -12.474 1.00 0.00 C ATOM 1091 C LEU A 72 3.675 21.099 -13.636 1.00 0.00 C ATOM 1092 O LEU A 72 4.468 21.961 -14.010 1.00 0.00 O ATOM 1093 CB LEU A 72 3.478 21.246 -11.137 1.00 0.00 C ATOM 1094 CG LEU A 72 2.759 21.809 -9.913 1.00 0.00 C ATOM 1095 CD1 LEU A 72 3.548 21.482 -8.658 1.00 0.00 C ATOM 1096 CD2 LEU A 72 2.569 23.326 -10.047 1.00 0.00 C ATOM 0 H LEU A 72 1.544 19.812 -11.783 1.00 0.00 H new ATOM 0 HA LEU A 72 2.408 22.411 -12.597 1.00 0.00 H new ATOM 0 HB2 LEU A 72 3.678 20.189 -10.961 1.00 0.00 H new ATOM 0 HB3 LEU A 72 4.444 21.743 -11.226 1.00 0.00 H new ATOM 0 HG LEU A 72 1.773 21.349 -9.842 1.00 0.00 H new ATOM 0 HD11 LEU A 72 3.031 21.886 -7.788 1.00 0.00 H new ATOM 0 HD12 LEU A 72 3.639 20.401 -8.557 1.00 0.00 H new ATOM 0 HD13 LEU A 72 4.542 21.925 -8.727 1.00 0.00 H new ATOM 0 HD21 LEU A 72 2.055 23.708 -9.165 1.00 0.00 H new ATOM 0 HD22 LEU A 72 3.542 23.808 -10.137 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.974 23.541 -10.935 1.00 0.00 H new ATOM 1108 N ASN A 73 3.567 19.915 -14.215 1.00 0.00 N ATOM 1109 CA ASN A 73 4.455 19.498 -15.306 1.00 0.00 C ATOM 1110 C ASN A 73 4.331 20.433 -16.487 1.00 0.00 C ATOM 1111 O ASN A 73 3.264 20.552 -17.084 1.00 0.00 O ATOM 1112 CB ASN A 73 4.155 18.057 -15.743 1.00 0.00 C ATOM 1113 CG ASN A 73 5.160 17.510 -16.751 1.00 0.00 C ATOM 1114 OD1 ASN A 73 6.179 16.945 -16.367 1.00 0.00 O ATOM 1115 ND2 ASN A 73 4.881 17.643 -18.021 1.00 0.00 N ATOM 0 H ASN A 73 2.872 19.217 -13.951 1.00 0.00 H new ATOM 0 HA ASN A 73 5.478 19.539 -14.932 1.00 0.00 H new ATOM 0 HB2 ASN A 73 4.146 17.413 -14.864 1.00 0.00 H new ATOM 0 HB3 ASN A 73 3.156 18.017 -16.178 1.00 0.00 H new ATOM 0 HD21 ASN A 73 5.519 17.272 -18.725 1.00 0.00 H new ATOM 0 HD22 ASN A 73 4.025 18.118 -18.308 1.00 0.00 H new ATOM 1122 N GLY A 74 5.397 21.121 -16.789 1.00 0.00 N ATOM 1123 CA GLY A 74 5.382 22.019 -17.902 1.00 0.00 C ATOM 1124 C GLY A 74 5.350 23.467 -17.493 1.00 0.00 C ATOM 1125 O GLY A 74 5.376 24.345 -18.352 1.00 0.00 O ATOM 0 H GLY A 74 6.281 21.076 -16.281 1.00 0.00 H new ATOM 0 HA2 GLY A 74 6.264 21.841 -18.517 1.00 0.00 H new ATOM 0 HA3 GLY A 74 4.512 21.804 -18.523 1.00 0.00 H new ATOM 1129 N PHE A 75 5.287 23.735 -16.191 1.00 0.00 N ATOM 1130 CA PHE A 75 5.293 25.109 -15.735 1.00 0.00 C ATOM 1131 C PHE A 75 6.671 25.727 -15.929 1.00 0.00 C ATOM 1132 O PHE A 75 7.693 25.135 -15.553 1.00 0.00 O ATOM 1133 CB PHE A 75 4.827 25.246 -14.282 1.00 0.00 C ATOM 1134 CG PHE A 75 4.721 26.683 -13.822 1.00 0.00 C ATOM 1135 CD1 PHE A 75 3.767 27.535 -14.364 1.00 0.00 C ATOM 1136 CD2 PHE A 75 5.572 27.177 -12.860 1.00 0.00 C ATOM 1137 CE1 PHE A 75 3.676 28.851 -13.949 1.00 0.00 C ATOM 1138 CE2 PHE A 75 5.489 28.489 -12.440 1.00 0.00 C ATOM 1139 CZ PHE A 75 4.542 29.329 -12.984 1.00 0.00 C ATOM 0 H PHE A 75 5.233 23.032 -15.454 1.00 0.00 H new ATOM 0 HA PHE A 75 4.574 25.656 -16.345 1.00 0.00 H new ATOM 0 HB2 PHE A 75 3.856 24.764 -14.172 1.00 0.00 H new ATOM 0 HB3 PHE A 75 5.522 24.714 -13.633 1.00 0.00 H new ATOM 0 HD1 PHE A 75 3.088 27.165 -15.118 1.00 0.00 H new ATOM 0 HD2 PHE A 75 6.317 26.527 -12.426 1.00 0.00 H new ATOM 0 HE1 PHE A 75 2.930 29.504 -14.378 1.00 0.00 H new ATOM 0 HE2 PHE A 75 6.167 28.858 -11.684 1.00 0.00 H new ATOM 0 HZ PHE A 75 4.477 30.356 -12.658 1.00 0.00 H new ATOM 1149 N LYS A 76 6.682 26.881 -16.544 1.00 0.00 N ATOM 1150 CA LYS A 76 7.888 27.599 -16.871 1.00 0.00 C ATOM 1151 C LYS A 76 8.441 28.339 -15.644 1.00 0.00 C ATOM 1152 O LYS A 76 7.791 29.258 -15.116 1.00 0.00 O ATOM 1153 CB LYS A 76 7.575 28.612 -17.982 1.00 0.00 C ATOM 1154 CG LYS A 76 8.792 29.304 -18.580 1.00 0.00 C ATOM 1155 CD LYS A 76 9.636 28.349 -19.420 1.00 0.00 C ATOM 1156 CE LYS A 76 8.878 27.866 -20.660 1.00 0.00 C ATOM 1157 NZ LYS A 76 9.713 27.005 -21.510 1.00 0.00 N1+ ATOM 0 H LYS A 76 5.831 27.360 -16.839 1.00 0.00 H new ATOM 0 HA LYS A 76 8.642 26.887 -17.206 1.00 0.00 H new ATOM 0 HB2 LYS A 76 7.038 28.100 -18.780 1.00 0.00 H new ATOM 0 HB3 LYS A 76 6.903 29.372 -17.582 1.00 0.00 H new ATOM 0 HG2 LYS A 76 8.466 30.140 -19.199 1.00 0.00 H new ATOM 0 HG3 LYS A 76 9.403 29.719 -17.779 1.00 0.00 H new ATOM 0 HD2 LYS A 76 10.555 28.849 -19.727 1.00 0.00 H new ATOM 0 HD3 LYS A 76 9.927 27.491 -18.814 1.00 0.00 H new ATOM 0 HE2 LYS A 76 7.988 27.318 -20.351 1.00 0.00 H new ATOM 0 HE3 LYS A 76 8.539 28.727 -21.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 9.165 26.699 -22.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 10.550 27.536 -21.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 10.016 26.171 -20.968 1.00 0.00 H new ATOM 1171 N ILE A 77 9.609 27.924 -15.191 1.00 0.00 N ATOM 1172 CA ILE A 77 10.306 28.574 -14.095 1.00 0.00 C ATOM 1173 C ILE A 77 11.740 28.817 -14.534 1.00 0.00 C ATOM 1174 O ILE A 77 12.433 27.885 -14.878 1.00 0.00 O ATOM 1175 CB ILE A 77 10.338 27.709 -12.793 1.00 0.00 C ATOM 1176 CG1 ILE A 77 8.932 27.271 -12.400 1.00 0.00 C ATOM 1177 CG2 ILE A 77 10.984 28.503 -11.639 1.00 0.00 C ATOM 1178 CD1 ILE A 77 8.881 26.370 -11.189 1.00 0.00 C ATOM 0 H ILE A 77 10.105 27.120 -15.576 1.00 0.00 H new ATOM 0 HA ILE A 77 9.774 29.497 -13.864 1.00 0.00 H new ATOM 0 HB ILE A 77 10.936 26.819 -12.990 1.00 0.00 H new ATOM 0 HG12 ILE A 77 8.328 28.157 -12.205 1.00 0.00 H new ATOM 0 HG13 ILE A 77 8.475 26.753 -13.244 1.00 0.00 H new ATOM 0 HG21 ILE A 77 11.000 27.889 -10.739 1.00 0.00 H new ATOM 0 HG22 ILE A 77 12.004 28.775 -11.911 1.00 0.00 H new ATOM 0 HG23 ILE A 77 10.405 29.407 -11.451 1.00 0.00 H new ATOM 0 HD11 ILE A 77 7.845 26.104 -10.976 1.00 0.00 H new ATOM 0 HD12 ILE A 77 9.455 25.464 -11.385 1.00 0.00 H new ATOM 0 HD13 ILE A 77 9.306 26.890 -10.330 1.00 0.00 H new ATOM 1190 N GLY A 78 12.126 30.067 -14.641 1.00 0.00 N ATOM 1191 CA GLY A 78 13.495 30.421 -14.955 1.00 0.00 C ATOM 1192 C GLY A 78 13.909 29.981 -16.338 1.00 0.00 C ATOM 1193 O GLY A 78 15.087 29.703 -16.579 1.00 0.00 O ATOM 0 H GLY A 78 11.505 30.866 -14.514 1.00 0.00 H new ATOM 0 HA2 GLY A 78 13.615 31.501 -14.871 1.00 0.00 H new ATOM 0 HA3 GLY A 78 14.161 29.968 -14.220 1.00 0.00 H new ATOM 1197 N GLY A 79 12.951 29.905 -17.233 1.00 0.00 N ATOM 1198 CA GLY A 79 13.223 29.474 -18.587 1.00 0.00 C ATOM 1199 C GLY A 79 13.166 27.960 -18.751 1.00 0.00 C ATOM 1200 O GLY A 79 13.253 27.446 -19.868 1.00 0.00 O ATOM 0 H GLY A 79 11.975 30.136 -17.049 1.00 0.00 H new ATOM 0 HA2 GLY A 79 12.501 29.935 -19.261 1.00 0.00 H new ATOM 0 HA3 GLY A 79 14.209 29.830 -18.885 1.00 0.00 H new ATOM 1204 N ARG A 80 13.002 27.246 -17.656 1.00 0.00 N ATOM 1205 CA ARG A 80 12.941 25.801 -17.690 1.00 0.00 C ATOM 1206 C ARG A 80 11.568 25.342 -17.259 1.00 0.00 C ATOM 1207 O ARG A 80 11.029 25.819 -16.273 1.00 0.00 O ATOM 1208 CB ARG A 80 14.000 25.183 -16.761 1.00 0.00 C ATOM 1209 CG ARG A 80 15.431 25.519 -17.134 1.00 0.00 C ATOM 1210 CD ARG A 80 16.434 24.940 -16.141 1.00 0.00 C ATOM 1211 NE ARG A 80 17.813 25.301 -16.512 1.00 0.00 N ATOM 1212 CZ ARG A 80 18.951 24.767 -16.039 1.00 0.00 C ATOM 1213 NH1 ARG A 80 18.937 23.782 -15.148 1.00 0.00 N1+ ATOM 1214 NH2 ARG A 80 20.112 25.237 -16.468 1.00 0.00 N ATOM 0 H ARG A 80 12.908 27.649 -16.724 1.00 0.00 H new ATOM 0 HA ARG A 80 13.140 25.473 -18.710 1.00 0.00 H new ATOM 0 HB2 ARG A 80 13.814 25.521 -15.742 1.00 0.00 H new ATOM 0 HB3 ARG A 80 13.881 24.100 -16.764 1.00 0.00 H new ATOM 0 HG2 ARG A 80 15.645 25.134 -18.131 1.00 0.00 H new ATOM 0 HG3 ARG A 80 15.549 26.602 -17.178 1.00 0.00 H new ATOM 0 HD2 ARG A 80 16.214 25.310 -15.139 1.00 0.00 H new ATOM 0 HD3 ARG A 80 16.334 23.855 -16.109 1.00 0.00 H new ATOM 0 HE ARG A 80 17.915 26.040 -17.207 1.00 0.00 H new ATOM 0 HH11 ARG A 80 18.048 23.415 -14.808 1.00 0.00 H new ATOM 0 HH12 ARG A 80 19.815 23.393 -14.804 1.00 0.00 H new ATOM 0 HH21 ARG A 80 20.135 25.996 -17.150 1.00 0.00 H new ATOM 0 HH22 ARG A 80 20.984 24.841 -16.117 1.00 0.00 H new ATOM 1228 N ALA A 81 10.977 24.477 -18.017 1.00 0.00 N ATOM 1229 CA ALA A 81 9.728 23.904 -17.632 1.00 0.00 C ATOM 1230 C ALA A 81 10.001 22.591 -16.957 1.00 0.00 C ATOM 1231 O ALA A 81 10.491 21.641 -17.595 1.00 0.00 O ATOM 1232 CB ALA A 81 8.810 23.721 -18.814 1.00 0.00 C ATOM 0 H ALA A 81 11.341 24.150 -18.912 1.00 0.00 H new ATOM 0 HA ALA A 81 9.218 24.580 -16.945 1.00 0.00 H new ATOM 0 HB1 ALA A 81 7.870 23.282 -18.480 1.00 0.00 H new ATOM 0 HB2 ALA A 81 8.615 24.689 -19.276 1.00 0.00 H new ATOM 0 HB3 ALA A 81 9.281 23.060 -19.541 1.00 0.00 H new ATOM 1238 N LEU A 82 9.741 22.548 -15.684 1.00 0.00 N ATOM 1239 CA LEU A 82 10.011 21.376 -14.889 1.00 0.00 C ATOM 1240 C LEU A 82 9.179 20.161 -15.290 1.00 0.00 C ATOM 1241 O LEU A 82 8.047 20.280 -15.806 1.00 0.00 O ATOM 1242 CB LEU A 82 9.954 21.686 -13.382 1.00 0.00 C ATOM 1243 CG LEU A 82 8.785 22.554 -12.863 1.00 0.00 C ATOM 1244 CD1 LEU A 82 7.449 21.886 -13.056 1.00 0.00 C ATOM 1245 CD2 LEU A 82 8.992 22.885 -11.401 1.00 0.00 C ATOM 0 H LEU A 82 9.335 23.324 -15.162 1.00 0.00 H new ATOM 0 HA LEU A 82 11.038 21.085 -15.109 1.00 0.00 H new ATOM 0 HB2 LEU A 82 9.928 20.737 -12.847 1.00 0.00 H new ATOM 0 HB3 LEU A 82 10.885 22.182 -13.108 1.00 0.00 H new ATOM 0 HG LEU A 82 8.778 23.473 -13.450 1.00 0.00 H new ATOM 0 HD11 LEU A 82 6.660 22.535 -12.676 1.00 0.00 H new ATOM 0 HD12 LEU A 82 7.286 21.699 -14.117 1.00 0.00 H new ATOM 0 HD13 LEU A 82 7.434 20.940 -12.515 1.00 0.00 H new ATOM 0 HD21 LEU A 82 8.163 23.497 -11.046 1.00 0.00 H new ATOM 0 HD22 LEU A 82 9.037 21.963 -10.822 1.00 0.00 H new ATOM 0 HD23 LEU A 82 9.926 23.434 -11.281 1.00 0.00 H new ATOM 1257 N LYS A 83 9.755 19.020 -15.088 1.00 0.00 N ATOM 1258 CA LYS A 83 9.163 17.756 -15.439 1.00 0.00 C ATOM 1259 C LYS A 83 8.873 16.975 -14.185 1.00 0.00 C ATOM 1260 O LYS A 83 9.764 16.784 -13.381 1.00 0.00 O ATOM 1261 CB LYS A 83 10.170 16.960 -16.280 1.00 0.00 C ATOM 1262 CG LYS A 83 9.746 15.540 -16.642 1.00 0.00 C ATOM 1263 CD LYS A 83 8.711 15.518 -17.748 1.00 0.00 C ATOM 1264 CE LYS A 83 8.252 14.099 -18.084 1.00 0.00 C ATOM 1265 NZ LYS A 83 7.281 13.544 -17.099 1.00 0.00 N1+ ATOM 0 H LYS A 83 10.678 18.932 -14.662 1.00 0.00 H new ATOM 0 HA LYS A 83 8.241 17.924 -15.996 1.00 0.00 H new ATOM 0 HB2 LYS A 83 10.362 17.509 -17.202 1.00 0.00 H new ATOM 0 HB3 LYS A 83 11.113 16.911 -15.736 1.00 0.00 H new ATOM 0 HG2 LYS A 83 10.621 14.969 -16.954 1.00 0.00 H new ATOM 0 HG3 LYS A 83 9.342 15.047 -15.758 1.00 0.00 H new ATOM 0 HD2 LYS A 83 7.850 16.115 -17.449 1.00 0.00 H new ATOM 0 HD3 LYS A 83 9.127 15.984 -18.641 1.00 0.00 H new ATOM 0 HE2 LYS A 83 7.796 14.097 -19.074 1.00 0.00 H new ATOM 0 HE3 LYS A 83 9.123 13.445 -18.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 7.498 12.542 -16.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 7.351 14.073 -16.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 6.316 13.629 -17.477 1.00 0.00 H new ATOM 1279 N ILE A 84 7.656 16.539 -14.018 1.00 0.00 N ATOM 1280 CA ILE A 84 7.326 15.671 -12.916 1.00 0.00 C ATOM 1281 C ILE A 84 7.033 14.315 -13.511 1.00 0.00 C ATOM 1282 O ILE A 84 6.318 14.224 -14.506 1.00 0.00 O ATOM 1283 CB ILE A 84 6.108 16.132 -12.029 1.00 0.00 C ATOM 1284 CG1 ILE A 84 6.303 17.526 -11.420 1.00 0.00 C ATOM 1285 CG2 ILE A 84 5.870 15.146 -10.900 1.00 0.00 C ATOM 1286 CD1 ILE A 84 6.019 18.658 -12.348 1.00 0.00 C ATOM 0 H ILE A 84 6.873 16.769 -14.630 1.00 0.00 H new ATOM 0 HA ILE A 84 8.174 15.675 -12.231 1.00 0.00 H new ATOM 0 HB ILE A 84 5.248 16.171 -12.698 1.00 0.00 H new ATOM 0 HG12 ILE A 84 5.657 17.619 -10.547 1.00 0.00 H new ATOM 0 HG13 ILE A 84 7.331 17.613 -11.067 1.00 0.00 H new ATOM 0 HG21 ILE A 84 5.025 15.480 -10.297 1.00 0.00 H new ATOM 0 HG22 ILE A 84 5.653 14.162 -11.316 1.00 0.00 H new ATOM 0 HG23 ILE A 84 6.761 15.087 -10.275 1.00 0.00 H new ATOM 0 HD11 ILE A 84 6.184 19.603 -11.830 1.00 0.00 H new ATOM 0 HD12 ILE A 84 6.682 18.596 -13.211 1.00 0.00 H new ATOM 0 HD13 ILE A 84 4.983 18.603 -12.682 1.00 0.00 H new ATOM 1298 N ASP A 85 7.624 13.288 -12.980 1.00 0.00 N ATOM 1299 CA ASP A 85 7.425 11.955 -13.513 1.00 0.00 C ATOM 1300 C ASP A 85 7.426 10.962 -12.368 1.00 0.00 C ATOM 1301 O ASP A 85 8.214 11.109 -11.433 1.00 0.00 O ATOM 1302 CB ASP A 85 8.554 11.624 -14.513 1.00 0.00 C ATOM 1303 CG ASP A 85 8.269 10.416 -15.376 1.00 0.00 C ATOM 1304 OD1 ASP A 85 7.407 10.517 -16.274 1.00 0.00 O ATOM 1305 OD2 ASP A 85 8.927 9.369 -15.212 1.00 0.00 O1- ATOM 0 H ASP A 85 8.251 13.337 -12.177 1.00 0.00 H new ATOM 0 HA ASP A 85 6.470 11.900 -14.036 1.00 0.00 H new ATOM 0 HB2 ASP A 85 8.721 12.488 -15.157 1.00 0.00 H new ATOM 0 HB3 ASP A 85 9.478 11.454 -13.960 1.00 0.00 H new ATOM 1310 N HIS A 86 6.522 10.001 -12.411 1.00 0.00 N ATOM 1311 CA HIS A 86 6.447 8.953 -11.384 1.00 0.00 C ATOM 1312 C HIS A 86 7.732 8.138 -11.354 1.00 0.00 C ATOM 1313 O HIS A 86 8.150 7.593 -12.380 1.00 0.00 O ATOM 1314 CB HIS A 86 5.251 8.027 -11.625 1.00 0.00 C ATOM 1315 CG HIS A 86 3.929 8.550 -11.163 1.00 0.00 C ATOM 1316 ND1 HIS A 86 3.392 8.267 -9.924 1.00 0.00 N ATOM 1317 CD2 HIS A 86 3.011 9.309 -11.804 1.00 0.00 C ATOM 1318 CE1 HIS A 86 2.191 8.844 -9.850 1.00 0.00 C ATOM 1319 NE2 HIS A 86 1.906 9.494 -10.971 1.00 0.00 N ATOM 0 H HIS A 86 5.821 9.916 -13.147 1.00 0.00 H new ATOM 0 HA HIS A 86 6.315 9.445 -10.420 1.00 0.00 H new ATOM 0 HB2 HIS A 86 5.186 7.817 -12.693 1.00 0.00 H new ATOM 0 HB3 HIS A 86 5.442 7.078 -11.124 1.00 0.00 H new ATOM 0 HD1 HIS A 86 3.836 7.713 -9.192 1.00 0.00 H new ATOM 0 HD2 HIS A 86 3.116 9.709 -12.802 1.00 0.00 H new ATOM 0 HE1 HIS A 86 1.538 8.789 -8.992 1.00 0.00 H new ATOM 1327 N THR A 87 8.348 8.054 -10.211 1.00 0.00 N ATOM 1328 CA THR A 87 9.613 7.392 -10.075 1.00 0.00 C ATOM 1329 C THR A 87 9.651 6.627 -8.752 1.00 0.00 C ATOM 1330 O THR A 87 8.819 6.849 -7.865 1.00 0.00 O ATOM 1331 CB THR A 87 10.803 8.404 -10.163 1.00 0.00 C ATOM 1332 OG1 THR A 87 12.055 7.706 -10.288 1.00 0.00 O ATOM 1333 CG2 THR A 87 10.858 9.293 -8.929 1.00 0.00 C ATOM 0 H THR A 87 7.985 8.445 -9.342 1.00 0.00 H new ATOM 0 HA THR A 87 9.725 6.689 -10.901 1.00 0.00 H new ATOM 0 HB THR A 87 10.638 9.023 -11.045 1.00 0.00 H new ATOM 0 HG1 THR A 87 12.787 8.355 -10.343 1.00 0.00 H new ATOM 0 HG21 THR A 87 11.694 9.986 -9.017 1.00 0.00 H new ATOM 0 HG22 THR A 87 9.928 9.855 -8.844 1.00 0.00 H new ATOM 0 HG23 THR A 87 10.991 8.675 -8.041 1.00 0.00 H new ATOM 1341 N PHE A 88 10.557 5.711 -8.631 1.00 0.00 N ATOM 1342 CA PHE A 88 10.681 4.990 -7.426 1.00 0.00 C ATOM 1343 C PHE A 88 12.092 5.150 -6.957 1.00 0.00 C ATOM 1344 O PHE A 88 13.017 4.518 -7.461 1.00 0.00 O ATOM 1345 CB PHE A 88 10.294 3.524 -7.590 1.00 0.00 C ATOM 1346 CG PHE A 88 10.047 2.848 -6.275 1.00 0.00 C ATOM 1347 CD1 PHE A 88 9.011 3.281 -5.456 1.00 0.00 C ATOM 1348 CD2 PHE A 88 10.827 1.788 -5.854 1.00 0.00 C ATOM 1349 CE1 PHE A 88 8.763 2.675 -4.252 1.00 0.00 C ATOM 1350 CE2 PHE A 88 10.580 1.178 -4.642 1.00 0.00 C ATOM 1351 CZ PHE A 88 9.544 1.625 -3.840 1.00 0.00 C ATOM 0 H PHE A 88 11.220 5.451 -9.361 1.00 0.00 H new ATOM 0 HA PHE A 88 9.990 5.384 -6.681 1.00 0.00 H new ATOM 0 HB2 PHE A 88 9.397 3.454 -8.205 1.00 0.00 H new ATOM 0 HB3 PHE A 88 11.087 2.999 -8.122 1.00 0.00 H new ATOM 0 HD1 PHE A 88 8.392 4.107 -5.773 1.00 0.00 H new ATOM 0 HD2 PHE A 88 11.635 1.435 -6.478 1.00 0.00 H new ATOM 0 HE1 PHE A 88 7.953 3.024 -3.628 1.00 0.00 H new ATOM 0 HE2 PHE A 88 11.195 0.351 -4.318 1.00 0.00 H new ATOM 0 HZ PHE A 88 9.351 1.148 -2.891 1.00 0.00 H new ATOM 1361 N TYR A 89 12.254 6.039 -6.053 1.00 0.00 N ATOM 1362 CA TYR A 89 13.533 6.391 -5.538 1.00 0.00 C ATOM 1363 C TYR A 89 13.701 5.816 -4.151 1.00 0.00 C ATOM 1364 O TYR A 89 12.752 5.797 -3.356 1.00 0.00 O ATOM 1365 CB TYR A 89 13.668 7.927 -5.580 1.00 0.00 C ATOM 1366 CG TYR A 89 14.783 8.543 -4.747 1.00 0.00 C ATOM 1367 CD1 TYR A 89 16.098 8.594 -5.209 1.00 0.00 C ATOM 1368 CD2 TYR A 89 14.510 9.098 -3.505 1.00 0.00 C ATOM 1369 CE1 TYR A 89 17.098 9.183 -4.448 1.00 0.00 C ATOM 1370 CE2 TYR A 89 15.498 9.679 -2.743 1.00 0.00 C ATOM 1371 CZ TYR A 89 16.788 9.722 -3.212 1.00 0.00 C ATOM 1372 OH TYR A 89 17.773 10.325 -2.445 1.00 0.00 O ATOM 0 H TYR A 89 11.483 6.560 -5.635 1.00 0.00 H new ATOM 0 HA TYR A 89 14.335 5.970 -6.144 1.00 0.00 H new ATOM 0 HB2 TYR A 89 13.815 8.226 -6.618 1.00 0.00 H new ATOM 0 HB3 TYR A 89 12.722 8.360 -5.254 1.00 0.00 H new ATOM 0 HD1 TYR A 89 16.341 8.169 -6.172 1.00 0.00 H new ATOM 0 HD2 TYR A 89 13.498 9.074 -3.127 1.00 0.00 H new ATOM 0 HE1 TYR A 89 18.112 9.220 -4.818 1.00 0.00 H new ATOM 0 HE2 TYR A 89 15.259 10.100 -1.778 1.00 0.00 H new ATOM 0 HH TYR A 89 17.647 10.086 -1.503 1.00 0.00 H new ATOM 1382 N ARG A 90 14.867 5.297 -3.886 1.00 0.00 N ATOM 1383 CA ARG A 90 15.162 4.713 -2.611 1.00 0.00 C ATOM 1384 C ARG A 90 15.994 5.669 -1.770 1.00 0.00 C ATOM 1385 O ARG A 90 17.034 6.153 -2.227 1.00 0.00 O ATOM 1386 CB ARG A 90 15.905 3.380 -2.772 1.00 0.00 C ATOM 1387 CG ARG A 90 15.140 2.295 -3.523 1.00 0.00 C ATOM 1388 CD ARG A 90 13.768 2.029 -2.908 1.00 0.00 C ATOM 1389 NE ARG A 90 13.828 1.740 -1.461 1.00 0.00 N ATOM 1390 CZ ARG A 90 12.824 1.209 -0.747 1.00 0.00 C ATOM 1391 NH1 ARG A 90 11.768 0.681 -1.366 1.00 0.00 N1+ ATOM 1392 NH2 ARG A 90 12.905 1.147 0.578 1.00 0.00 N ATOM 0 H ARG A 90 15.640 5.268 -4.551 1.00 0.00 H new ATOM 0 HA ARG A 90 14.216 4.521 -2.105 1.00 0.00 H new ATOM 0 HB2 ARG A 90 16.844 3.567 -3.293 1.00 0.00 H new ATOM 0 HB3 ARG A 90 16.160 3.003 -1.782 1.00 0.00 H new ATOM 0 HG2 ARG A 90 15.018 2.593 -4.564 1.00 0.00 H new ATOM 0 HG3 ARG A 90 15.723 1.374 -3.521 1.00 0.00 H new ATOM 0 HD2 ARG A 90 13.128 2.896 -3.073 1.00 0.00 H new ATOM 0 HD3 ARG A 90 13.303 1.187 -3.422 1.00 0.00 H new ATOM 0 HE ARG A 90 14.694 1.960 -0.970 1.00 0.00 H new ATOM 0 HH11 ARG A 90 11.722 0.680 -2.385 1.00 0.00 H new ATOM 0 HH12 ARG A 90 11.006 0.278 -0.821 1.00 0.00 H new ATOM 0 HH21 ARG A 90 13.733 1.504 1.056 1.00 0.00 H new ATOM 0 HH22 ARG A 90 12.140 0.743 1.117 1.00 0.00 H new ATOM 1406 N PRO A 91 15.543 5.969 -0.549 1.00 0.00 N ATOM 1407 CA PRO A 91 16.271 6.852 0.361 1.00 0.00 C ATOM 1408 C PRO A 91 17.533 6.180 0.926 1.00 0.00 C ATOM 1409 O PRO A 91 17.517 4.985 1.265 1.00 0.00 O ATOM 1410 CB PRO A 91 15.259 7.113 1.487 1.00 0.00 C ATOM 1411 CG PRO A 91 14.347 5.940 1.469 1.00 0.00 C ATOM 1412 CD PRO A 91 14.272 5.489 0.040 1.00 0.00 C ATOM 0 HA PRO A 91 16.620 7.757 -0.136 1.00 0.00 H new ATOM 0 HB2 PRO A 91 15.758 7.209 2.451 1.00 0.00 H new ATOM 0 HB3 PRO A 91 14.712 8.040 1.318 1.00 0.00 H new ATOM 0 HG2 PRO A 91 14.725 5.143 2.109 1.00 0.00 H new ATOM 0 HG3 PRO A 91 13.360 6.209 1.845 1.00 0.00 H new ATOM 0 HD2 PRO A 91 14.181 4.405 -0.033 1.00 0.00 H new ATOM 0 HD3 PRO A 91 13.408 5.916 -0.470 1.00 0.00 H new ATOM 1420 N LYS A 92 18.620 6.924 1.011 1.00 0.00 N ATOM 1421 CA LYS A 92 19.856 6.384 1.569 1.00 0.00 C ATOM 1422 C LYS A 92 19.792 6.503 3.085 1.00 0.00 C ATOM 1423 O LYS A 92 19.367 7.537 3.605 1.00 0.00 O ATOM 1424 CB LYS A 92 21.077 7.153 1.039 1.00 0.00 C ATOM 1425 CG LYS A 92 21.221 7.142 -0.477 1.00 0.00 C ATOM 1426 CD LYS A 92 22.417 7.975 -0.952 1.00 0.00 C ATOM 1427 CE LYS A 92 23.753 7.408 -0.477 1.00 0.00 C ATOM 1428 NZ LYS A 92 24.904 8.175 -1.005 1.00 0.00 N1+ ATOM 0 H LYS A 92 18.678 7.895 0.705 1.00 0.00 H new ATOM 0 HA LYS A 92 19.960 5.340 1.273 1.00 0.00 H new ATOM 0 HB2 LYS A 92 21.014 8.187 1.378 1.00 0.00 H new ATOM 0 HB3 LYS A 92 21.978 6.727 1.480 1.00 0.00 H new ATOM 0 HG2 LYS A 92 21.337 6.114 -0.822 1.00 0.00 H new ATOM 0 HG3 LYS A 92 20.308 7.529 -0.930 1.00 0.00 H new ATOM 0 HD2 LYS A 92 22.413 8.022 -2.041 1.00 0.00 H new ATOM 0 HD3 LYS A 92 22.310 8.997 -0.589 1.00 0.00 H new ATOM 0 HE2 LYS A 92 23.782 7.415 0.613 1.00 0.00 H new ATOM 0 HE3 LYS A 92 23.837 6.368 -0.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 25.659 7.518 -1.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 24.601 8.731 -1.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 25.262 8.816 -0.268 1.00 0.00 H new ATOM 1442 N ARG A 93 20.243 5.487 3.803 1.00 0.00 N ATOM 1443 CA ARG A 93 20.127 5.521 5.252 1.00 0.00 C ATOM 1444 C ARG A 93 21.234 6.359 5.866 1.00 0.00 C ATOM 1445 O ARG A 93 21.056 6.976 6.902 1.00 0.00 O ATOM 1446 CB ARG A 93 19.989 4.101 5.885 1.00 0.00 C ATOM 1447 CG ARG A 93 21.238 3.193 5.956 1.00 0.00 C ATOM 1448 CD ARG A 93 22.197 3.613 7.078 1.00 0.00 C ATOM 1449 NE ARG A 93 21.497 3.713 8.366 1.00 0.00 N ATOM 1450 CZ ARG A 93 21.905 4.416 9.434 1.00 0.00 C ATOM 1451 NH1 ARG A 93 23.102 5.029 9.433 1.00 0.00 N1+ ATOM 1452 NH2 ARG A 93 21.114 4.500 10.500 1.00 0.00 N ATOM 0 H ARG A 93 20.682 4.650 3.420 1.00 0.00 H new ATOM 0 HA ARG A 93 19.188 6.018 5.495 1.00 0.00 H new ATOM 0 HB2 ARG A 93 19.615 4.227 6.901 1.00 0.00 H new ATOM 0 HB3 ARG A 93 19.222 3.564 5.327 1.00 0.00 H new ATOM 0 HG2 ARG A 93 20.926 2.161 6.114 1.00 0.00 H new ATOM 0 HG3 ARG A 93 21.763 3.224 5.001 1.00 0.00 H new ATOM 0 HD2 ARG A 93 23.008 2.889 7.157 1.00 0.00 H new ATOM 0 HD3 ARG A 93 22.650 4.573 6.832 1.00 0.00 H new ATOM 0 HE ARG A 93 20.620 3.201 8.457 1.00 0.00 H new ATOM 0 HH11 ARG A 93 23.709 4.962 8.616 1.00 0.00 H new ATOM 0 HH12 ARG A 93 23.403 5.561 10.249 1.00 0.00 H new ATOM 0 HH21 ARG A 93 20.207 4.033 10.500 1.00 0.00 H new ATOM 0 HH22 ARG A 93 21.414 5.032 11.317 1.00 0.00 H new ATOM 1466 N SER A 94 22.368 6.408 5.193 1.00 0.00 N ATOM 1467 CA SER A 94 23.493 7.220 5.630 1.00 0.00 C ATOM 1468 C SER A 94 23.150 8.693 5.458 1.00 0.00 C ATOM 1469 O SER A 94 23.736 9.573 6.093 1.00 0.00 O ATOM 1470 CB SER A 94 24.691 6.876 4.768 1.00 0.00 C ATOM 1471 OG SER A 94 24.831 5.472 4.675 1.00 0.00 O ATOM 0 H SER A 94 22.537 5.889 4.331 1.00 0.00 H new ATOM 0 HA SER A 94 23.715 7.025 6.679 1.00 0.00 H new ATOM 0 HB2 SER A 94 24.569 7.305 3.773 1.00 0.00 H new ATOM 0 HB3 SER A 94 25.594 7.313 5.195 1.00 0.00 H new ATOM 0 HG SER A 94 25.606 5.257 4.115 1.00 0.00 H new ATOM 1477 N LEU A 95 22.153 8.934 4.645 1.00 0.00 N ATOM 1478 CA LEU A 95 21.764 10.248 4.310 1.00 0.00 C ATOM 1479 C LEU A 95 20.435 10.576 4.997 1.00 0.00 C ATOM 1480 O LEU A 95 19.865 11.647 4.770 1.00 0.00 O ATOM 1481 CB LEU A 95 21.593 10.330 2.800 1.00 0.00 C ATOM 1482 CG LEU A 95 21.622 11.712 2.182 1.00 0.00 C ATOM 1483 CD1 LEU A 95 23.039 12.243 2.194 1.00 0.00 C ATOM 1484 CD2 LEU A 95 21.054 11.687 0.775 1.00 0.00 C ATOM 0 H LEU A 95 21.594 8.205 4.202 1.00 0.00 H new ATOM 0 HA LEU A 95 22.520 10.961 4.639 1.00 0.00 H new ATOM 0 HB2 LEU A 95 22.380 9.734 2.337 1.00 0.00 H new ATOM 0 HB3 LEU A 95 20.644 9.862 2.540 1.00 0.00 H new ATOM 0 HG LEU A 95 20.995 12.380 2.772 1.00 0.00 H new ATOM 0 HD11 LEU A 95 23.059 13.238 1.749 1.00 0.00 H new ATOM 0 HD12 LEU A 95 23.398 12.298 3.222 1.00 0.00 H new ATOM 0 HD13 LEU A 95 23.682 11.576 1.620 1.00 0.00 H new ATOM 0 HD21 LEU A 95 21.085 12.691 0.352 1.00 0.00 H new ATOM 0 HD22 LEU A 95 21.646 11.014 0.155 1.00 0.00 H new ATOM 0 HD23 LEU A 95 20.022 11.338 0.805 1.00 0.00 H new ATOM 1496 N GLN A 96 19.975 9.670 5.894 1.00 0.00 N ATOM 1497 CA GLN A 96 18.645 9.787 6.532 1.00 0.00 C ATOM 1498 C GLN A 96 18.460 11.119 7.247 1.00 0.00 C ATOM 1499 O GLN A 96 17.351 11.635 7.320 1.00 0.00 O ATOM 1500 CB GLN A 96 18.359 8.641 7.514 1.00 0.00 C ATOM 1501 CG GLN A 96 19.135 8.705 8.819 1.00 0.00 C ATOM 1502 CD GLN A 96 18.704 7.644 9.794 1.00 0.00 C ATOM 1503 OE1 GLN A 96 18.314 6.545 9.411 1.00 0.00 O ATOM 1504 NE2 GLN A 96 18.681 7.994 11.049 1.00 0.00 N ATOM 0 H GLN A 96 20.507 8.852 6.190 1.00 0.00 H new ATOM 0 HA GLN A 96 17.930 9.727 5.712 1.00 0.00 H new ATOM 0 HB2 GLN A 96 17.293 8.636 7.742 1.00 0.00 H new ATOM 0 HB3 GLN A 96 18.584 7.695 7.021 1.00 0.00 H new ATOM 0 HG2 GLN A 96 20.199 8.594 8.612 1.00 0.00 H new ATOM 0 HG3 GLN A 96 19.000 9.687 9.272 1.00 0.00 H new ATOM 0 HE21 GLN A 96 19.014 8.917 11.327 1.00 0.00 H new ATOM 0 HE22 GLN A 96 18.330 7.345 11.753 1.00 0.00 H new ATOM 1513 N LYS A 97 19.570 11.687 7.735 1.00 0.00 N ATOM 1514 CA LYS A 97 19.543 12.941 8.466 1.00 0.00 C ATOM 1515 C LYS A 97 19.033 14.071 7.610 1.00 0.00 C ATOM 1516 O LYS A 97 18.392 14.973 8.106 1.00 0.00 O ATOM 1517 CB LYS A 97 20.913 13.292 9.032 1.00 0.00 C ATOM 1518 CG LYS A 97 21.459 12.290 10.034 1.00 0.00 C ATOM 1519 CD LYS A 97 20.559 12.138 11.262 1.00 0.00 C ATOM 1520 CE LYS A 97 20.387 13.457 11.993 1.00 0.00 C ATOM 1521 NZ LYS A 97 19.575 13.308 13.218 1.00 0.00 N1+ ATOM 0 H LYS A 97 20.502 11.286 7.630 1.00 0.00 H new ATOM 0 HA LYS A 97 18.854 12.802 9.299 1.00 0.00 H new ATOM 0 HB2 LYS A 97 21.620 13.383 8.207 1.00 0.00 H new ATOM 0 HB3 LYS A 97 20.854 14.269 9.511 1.00 0.00 H new ATOM 0 HG2 LYS A 97 21.572 11.321 9.548 1.00 0.00 H new ATOM 0 HG3 LYS A 97 22.453 12.605 10.353 1.00 0.00 H new ATOM 0 HD2 LYS A 97 19.583 11.761 10.955 1.00 0.00 H new ATOM 0 HD3 LYS A 97 20.987 11.399 11.939 1.00 0.00 H new ATOM 0 HE2 LYS A 97 21.367 13.858 12.254 1.00 0.00 H new ATOM 0 HE3 LYS A 97 19.913 14.180 11.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 19.840 14.045 13.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 18.567 13.403 12.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 19.745 12.371 13.635 1.00 0.00 H new ATOM 1535 N TYR A 98 19.304 14.009 6.320 1.00 0.00 N ATOM 1536 CA TYR A 98 18.817 15.010 5.414 1.00 0.00 C ATOM 1537 C TYR A 98 17.292 14.885 5.283 1.00 0.00 C ATOM 1538 O TYR A 98 16.585 15.862 5.416 1.00 0.00 O ATOM 1539 CB TYR A 98 19.547 14.928 4.037 1.00 0.00 C ATOM 1540 CG TYR A 98 18.918 15.777 2.947 1.00 0.00 C ATOM 1541 CD1 TYR A 98 18.854 17.164 3.048 1.00 0.00 C ATOM 1542 CD2 TYR A 98 18.358 15.178 1.827 1.00 0.00 C ATOM 1543 CE1 TYR A 98 18.239 17.914 2.071 1.00 0.00 C ATOM 1544 CE2 TYR A 98 17.756 15.930 0.842 1.00 0.00 C ATOM 1545 CZ TYR A 98 17.689 17.291 0.971 1.00 0.00 C ATOM 1546 OH TYR A 98 17.065 18.037 -0.001 1.00 0.00 O ATOM 0 H TYR A 98 19.859 13.273 5.884 1.00 0.00 H new ATOM 0 HA TYR A 98 19.038 15.999 5.814 1.00 0.00 H new ATOM 0 HB2 TYR A 98 20.584 15.237 4.169 1.00 0.00 H new ATOM 0 HB3 TYR A 98 19.563 13.889 3.708 1.00 0.00 H new ATOM 0 HD1 TYR A 98 19.292 17.658 3.903 1.00 0.00 H new ATOM 0 HD2 TYR A 98 18.395 14.103 1.726 1.00 0.00 H new ATOM 0 HE1 TYR A 98 18.187 18.989 2.166 1.00 0.00 H new ATOM 0 HE2 TYR A 98 17.338 15.447 -0.029 1.00 0.00 H new ATOM 0 HH TYR A 98 17.000 18.969 0.294 1.00 0.00 H new ATOM 1556 N TYR A 99 16.815 13.658 5.128 1.00 0.00 N ATOM 1557 CA TYR A 99 15.375 13.384 4.947 1.00 0.00 C ATOM 1558 C TYR A 99 14.575 13.777 6.193 1.00 0.00 C ATOM 1559 O TYR A 99 13.560 14.484 6.100 1.00 0.00 O ATOM 1560 CB TYR A 99 15.116 11.894 4.656 1.00 0.00 C ATOM 1561 CG TYR A 99 15.813 11.327 3.438 1.00 0.00 C ATOM 1562 CD1 TYR A 99 17.123 10.932 3.508 1.00 0.00 C ATOM 1563 CD2 TYR A 99 15.152 11.164 2.229 1.00 0.00 C ATOM 1564 CE1 TYR A 99 17.771 10.393 2.434 1.00 0.00 C ATOM 1565 CE2 TYR A 99 15.801 10.607 1.134 1.00 0.00 C ATOM 1566 CZ TYR A 99 17.121 10.225 1.255 1.00 0.00 C ATOM 1567 OH TYR A 99 17.793 9.638 0.196 1.00 0.00 O ATOM 0 H TYR A 99 17.400 12.823 5.122 1.00 0.00 H new ATOM 0 HA TYR A 99 15.051 13.983 4.096 1.00 0.00 H new ATOM 0 HB2 TYR A 99 15.421 11.315 5.528 1.00 0.00 H new ATOM 0 HB3 TYR A 99 14.042 11.748 4.537 1.00 0.00 H new ATOM 0 HD1 TYR A 99 17.658 11.050 4.439 1.00 0.00 H new ATOM 0 HD2 TYR A 99 14.121 11.474 2.138 1.00 0.00 H new ATOM 0 HE1 TYR A 99 18.806 10.099 2.523 1.00 0.00 H new ATOM 0 HE2 TYR A 99 15.278 10.475 0.198 1.00 0.00 H new ATOM 0 HH TYR A 99 18.759 9.704 0.345 1.00 0.00 H new ATOM 1577 N GLU A 100 15.033 13.317 7.361 1.00 0.00 N ATOM 1578 CA GLU A 100 14.339 13.602 8.613 1.00 0.00 C ATOM 1579 C GLU A 100 14.329 15.095 8.931 1.00 0.00 C ATOM 1580 O GLU A 100 13.301 15.630 9.331 1.00 0.00 O ATOM 1581 CB GLU A 100 14.886 12.780 9.795 1.00 0.00 C ATOM 1582 CG GLU A 100 16.379 12.903 10.008 1.00 0.00 C ATOM 1583 CD GLU A 100 16.857 12.258 11.271 1.00 0.00 C ATOM 1584 OE1 GLU A 100 17.001 11.031 11.320 1.00 0.00 O1- ATOM 1585 OE2 GLU A 100 17.120 12.983 12.246 1.00 0.00 O ATOM 0 H GLU A 100 15.875 12.750 7.462 1.00 0.00 H new ATOM 0 HA GLU A 100 13.305 13.290 8.465 1.00 0.00 H new ATOM 0 HB2 GLU A 100 14.375 13.093 10.706 1.00 0.00 H new ATOM 0 HB3 GLU A 100 14.640 11.730 9.636 1.00 0.00 H new ATOM 0 HG2 GLU A 100 16.897 12.453 9.161 1.00 0.00 H new ATOM 0 HG3 GLU A 100 16.650 13.959 10.023 1.00 0.00 H new ATOM 1592 N ALA A 101 15.463 15.768 8.706 1.00 0.00 N ATOM 1593 CA ALA A 101 15.579 17.205 8.958 1.00 0.00 C ATOM 1594 C ALA A 101 14.618 17.968 8.070 1.00 0.00 C ATOM 1595 O ALA A 101 14.045 18.980 8.480 1.00 0.00 O ATOM 1596 CB ALA A 101 17.004 17.679 8.716 1.00 0.00 C ATOM 0 H ALA A 101 16.315 15.337 8.348 1.00 0.00 H new ATOM 0 HA ALA A 101 15.325 17.394 10.001 1.00 0.00 H new ATOM 0 HB1 ALA A 101 17.069 18.750 8.909 1.00 0.00 H new ATOM 0 HB2 ALA A 101 17.682 17.148 9.384 1.00 0.00 H new ATOM 0 HB3 ALA A 101 17.283 17.479 7.682 1.00 0.00 H new ATOM 1602 N VAL A 102 14.444 17.464 6.859 1.00 0.00 N ATOM 1603 CA VAL A 102 13.532 18.036 5.904 1.00 0.00 C ATOM 1604 C VAL A 102 12.078 17.918 6.375 1.00 0.00 C ATOM 1605 O VAL A 102 11.383 18.931 6.537 1.00 0.00 O ATOM 1606 CB VAL A 102 13.705 17.407 4.478 1.00 0.00 C ATOM 1607 CG1 VAL A 102 12.525 17.720 3.573 1.00 0.00 C ATOM 1608 CG2 VAL A 102 14.972 17.926 3.825 1.00 0.00 C ATOM 0 H VAL A 102 14.939 16.641 6.517 1.00 0.00 H new ATOM 0 HA VAL A 102 13.779 19.095 5.830 1.00 0.00 H new ATOM 0 HB VAL A 102 13.764 16.327 4.611 1.00 0.00 H new ATOM 0 HG11 VAL A 102 12.686 17.266 2.595 1.00 0.00 H new ATOM 0 HG12 VAL A 102 11.612 17.319 4.014 1.00 0.00 H new ATOM 0 HG13 VAL A 102 12.430 18.800 3.460 1.00 0.00 H new ATOM 0 HG21 VAL A 102 15.080 17.481 2.836 1.00 0.00 H new ATOM 0 HG22 VAL A 102 14.915 19.010 3.731 1.00 0.00 H new ATOM 0 HG23 VAL A 102 15.833 17.660 4.438 1.00 0.00 H new ATOM 1618 N LYS A 103 11.633 16.694 6.643 1.00 0.00 N ATOM 1619 CA LYS A 103 10.233 16.475 6.982 1.00 0.00 C ATOM 1620 C LYS A 103 9.864 17.081 8.314 1.00 0.00 C ATOM 1621 O LYS A 103 8.724 17.358 8.540 1.00 0.00 O ATOM 1622 CB LYS A 103 9.834 15.009 6.936 1.00 0.00 C ATOM 1623 CG LYS A 103 10.392 14.158 8.059 1.00 0.00 C ATOM 1624 CD LYS A 103 9.995 12.706 7.891 1.00 0.00 C ATOM 1625 CE LYS A 103 10.534 12.137 6.585 1.00 0.00 C ATOM 1626 NZ LYS A 103 10.142 10.742 6.365 1.00 0.00 N1+ ATOM 0 H LYS A 103 12.210 15.853 6.632 1.00 0.00 H new ATOM 0 HA LYS A 103 9.666 16.991 6.207 1.00 0.00 H new ATOM 0 HB2 LYS A 103 8.746 14.943 6.957 1.00 0.00 H new ATOM 0 HB3 LYS A 103 10.161 14.589 5.985 1.00 0.00 H new ATOM 0 HG2 LYS A 103 11.479 14.241 8.077 1.00 0.00 H new ATOM 0 HG3 LYS A 103 10.028 14.530 9.017 1.00 0.00 H new ATOM 0 HD2 LYS A 103 10.375 12.123 8.730 1.00 0.00 H new ATOM 0 HD3 LYS A 103 8.909 12.619 7.908 1.00 0.00 H new ATOM 0 HE2 LYS A 103 10.175 12.745 5.754 1.00 0.00 H new ATOM 0 HE3 LYS A 103 11.622 12.208 6.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 10.034 10.568 5.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 10.875 10.111 6.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 9.239 10.555 6.846 1.00 0.00 H new ATOM 1640 N GLU A 104 10.839 17.302 9.179 1.00 0.00 N ATOM 1641 CA GLU A 104 10.594 17.959 10.462 1.00 0.00 C ATOM 1642 C GLU A 104 9.980 19.338 10.284 1.00 0.00 C ATOM 1643 O GLU A 104 9.180 19.772 11.095 1.00 0.00 O ATOM 1644 CB GLU A 104 11.871 18.052 11.271 1.00 0.00 C ATOM 1645 CG GLU A 104 12.206 16.791 12.028 1.00 0.00 C ATOM 1646 CD GLU A 104 11.228 16.535 13.144 1.00 0.00 C ATOM 1647 OE1 GLU A 104 11.433 17.079 14.260 1.00 0.00 O ATOM 1648 OE2 GLU A 104 10.226 15.816 12.936 1.00 0.00 O1- ATOM 0 H GLU A 104 11.811 17.037 9.020 1.00 0.00 H new ATOM 0 HA GLU A 104 9.877 17.345 11.006 1.00 0.00 H new ATOM 0 HB2 GLU A 104 12.697 18.293 10.602 1.00 0.00 H new ATOM 0 HB3 GLU A 104 11.783 18.877 11.978 1.00 0.00 H new ATOM 0 HG2 GLU A 104 12.205 15.944 11.342 1.00 0.00 H new ATOM 0 HG3 GLU A 104 13.213 16.869 12.437 1.00 0.00 H new ATOM 1655 N GLU A 105 10.326 19.991 9.202 1.00 0.00 N ATOM 1656 CA GLU A 105 9.819 21.311 8.918 1.00 0.00 C ATOM 1657 C GLU A 105 8.488 21.210 8.179 1.00 0.00 C ATOM 1658 O GLU A 105 7.595 22.036 8.359 1.00 0.00 O ATOM 1659 CB GLU A 105 10.823 22.081 8.065 1.00 0.00 C ATOM 1660 CG GLU A 105 12.225 22.132 8.655 1.00 0.00 C ATOM 1661 CD GLU A 105 12.265 22.742 10.033 1.00 0.00 C ATOM 1662 OE1 GLU A 105 12.342 23.979 10.146 1.00 0.00 O1- ATOM 1663 OE2 GLU A 105 12.225 21.994 11.040 1.00 0.00 O ATOM 0 H GLU A 105 10.964 19.624 8.496 1.00 0.00 H new ATOM 0 HA GLU A 105 9.667 21.841 9.858 1.00 0.00 H new ATOM 0 HB2 GLU A 105 10.872 21.623 7.077 1.00 0.00 H new ATOM 0 HB3 GLU A 105 10.461 23.100 7.926 1.00 0.00 H new ATOM 0 HG2 GLU A 105 12.631 21.121 8.700 1.00 0.00 H new ATOM 0 HG3 GLU A 105 12.871 22.706 7.991 1.00 0.00 H new ATOM 1670 N LEU A 106 8.346 20.161 7.392 1.00 0.00 N ATOM 1671 CA LEU A 106 7.169 19.969 6.544 1.00 0.00 C ATOM 1672 C LEU A 106 6.021 19.401 7.346 1.00 0.00 C ATOM 1673 O LEU A 106 4.868 19.795 7.176 1.00 0.00 O ATOM 1674 CB LEU A 106 7.500 19.028 5.389 1.00 0.00 C ATOM 1675 CG LEU A 106 8.765 19.357 4.602 1.00 0.00 C ATOM 1676 CD1 LEU A 106 8.901 18.452 3.403 1.00 0.00 C ATOM 1677 CD2 LEU A 106 8.798 20.815 4.195 1.00 0.00 C ATOM 0 H LEU A 106 9.038 19.415 7.317 1.00 0.00 H new ATOM 0 HA LEU A 106 6.874 20.940 6.146 1.00 0.00 H new ATOM 0 HB2 LEU A 106 7.595 18.017 5.785 1.00 0.00 H new ATOM 0 HB3 LEU A 106 6.657 19.022 4.698 1.00 0.00 H new ATOM 0 HG LEU A 106 9.620 19.181 5.255 1.00 0.00 H new ATOM 0 HD11 LEU A 106 9.810 18.705 2.857 1.00 0.00 H new ATOM 0 HD12 LEU A 106 8.953 17.415 3.734 1.00 0.00 H new ATOM 0 HD13 LEU A 106 8.038 18.581 2.750 1.00 0.00 H new ATOM 0 HD21 LEU A 106 9.712 21.016 3.636 1.00 0.00 H new ATOM 0 HD22 LEU A 106 7.934 21.038 3.569 1.00 0.00 H new ATOM 0 HD23 LEU A 106 8.772 21.442 5.086 1.00 0.00 H new ATOM 1689 N ASP A 107 6.358 18.504 8.256 1.00 0.00 N ATOM 1690 CA ASP A 107 5.405 17.841 9.147 1.00 0.00 C ATOM 1691 C ASP A 107 4.669 18.850 9.992 1.00 0.00 C ATOM 1692 O ASP A 107 3.549 18.619 10.391 1.00 0.00 O ATOM 1693 CB ASP A 107 6.127 16.785 10.016 1.00 0.00 C ATOM 1694 CG ASP A 107 5.294 16.183 11.119 1.00 0.00 C ATOM 1695 OD1 ASP A 107 4.480 15.256 10.839 1.00 0.00 O ATOM 1696 OD2 ASP A 107 5.488 16.578 12.297 1.00 0.00 O1- ATOM 0 H ASP A 107 7.322 18.205 8.404 1.00 0.00 H new ATOM 0 HA ASP A 107 4.662 17.323 8.541 1.00 0.00 H new ATOM 0 HB2 ASP A 107 6.477 15.982 9.367 1.00 0.00 H new ATOM 0 HB3 ASP A 107 7.010 17.245 10.459 1.00 0.00 H new ATOM 1701 N ARG A 108 5.286 20.009 10.178 1.00 0.00 N ATOM 1702 CA ARG A 108 4.690 21.096 10.930 1.00 0.00 C ATOM 1703 C ARG A 108 3.433 21.605 10.215 1.00 0.00 C ATOM 1704 O ARG A 108 2.481 21.991 10.847 1.00 0.00 O ATOM 1705 CB ARG A 108 5.677 22.255 11.093 1.00 0.00 C ATOM 1706 CG ARG A 108 7.021 21.878 11.700 1.00 0.00 C ATOM 1707 CD ARG A 108 6.903 21.326 13.113 1.00 0.00 C ATOM 1708 NE ARG A 108 6.522 22.355 14.103 1.00 0.00 N ATOM 1709 CZ ARG A 108 6.278 22.122 15.402 1.00 0.00 C ATOM 1710 NH1 ARG A 108 6.157 20.867 15.847 1.00 0.00 N1+ ATOM 1711 NH2 ARG A 108 6.111 23.143 16.247 1.00 0.00 N ATOM 0 H ARG A 108 6.214 20.219 9.810 1.00 0.00 H new ATOM 0 HA ARG A 108 4.425 20.715 11.916 1.00 0.00 H new ATOM 0 HB2 ARG A 108 5.851 22.704 10.115 1.00 0.00 H new ATOM 0 HB3 ARG A 108 5.215 23.020 11.718 1.00 0.00 H new ATOM 0 HG2 ARG A 108 7.504 21.135 11.065 1.00 0.00 H new ATOM 0 HG3 ARG A 108 7.667 22.756 11.712 1.00 0.00 H new ATOM 0 HD2 ARG A 108 6.162 20.526 13.124 1.00 0.00 H new ATOM 0 HD3 ARG A 108 7.855 20.883 13.405 1.00 0.00 H new ATOM 0 HE ARG A 108 6.438 23.317 13.774 1.00 0.00 H new ATOM 0 HH11 ARG A 108 6.250 20.085 15.199 1.00 0.00 H new ATOM 0 HH12 ARG A 108 5.972 20.692 16.835 1.00 0.00 H new ATOM 0 HH21 ARG A 108 6.169 24.102 15.905 1.00 0.00 H new ATOM 0 HH22 ARG A 108 5.926 22.963 17.234 1.00 0.00 H new ATOM 1725 N ASP A 109 3.429 21.561 8.886 1.00 0.00 N ATOM 1726 CA ASP A 109 2.277 22.062 8.127 1.00 0.00 C ATOM 1727 C ASP A 109 1.230 20.954 7.996 1.00 0.00 C ATOM 1728 O ASP A 109 0.028 21.213 7.829 1.00 0.00 O ATOM 1729 CB ASP A 109 2.700 22.597 6.741 1.00 0.00 C ATOM 1730 CG ASP A 109 1.610 23.449 6.052 1.00 0.00 C ATOM 1731 OD1 ASP A 109 1.513 24.677 6.330 1.00 0.00 O1- ATOM 1732 OD2 ASP A 109 0.857 22.929 5.225 1.00 0.00 O ATOM 0 H ASP A 109 4.191 21.192 8.317 1.00 0.00 H new ATOM 0 HA ASP A 109 1.841 22.900 8.670 1.00 0.00 H new ATOM 0 HB2 ASP A 109 3.603 23.197 6.852 1.00 0.00 H new ATOM 0 HB3 ASP A 109 2.953 21.755 6.097 1.00 0.00 H new ATOM 1737 N ILE A 110 1.692 19.720 8.121 1.00 0.00 N ATOM 1738 CA ILE A 110 0.832 18.544 8.057 1.00 0.00 C ATOM 1739 C ILE A 110 0.092 18.376 9.386 1.00 0.00 C ATOM 1740 O ILE A 110 -1.143 18.208 9.418 1.00 0.00 O ATOM 1741 CB ILE A 110 1.657 17.257 7.760 1.00 0.00 C ATOM 1742 CG1 ILE A 110 2.434 17.425 6.451 1.00 0.00 C ATOM 1743 CG2 ILE A 110 0.744 16.027 7.689 1.00 0.00 C ATOM 1744 CD1 ILE A 110 3.331 16.264 6.097 1.00 0.00 C ATOM 0 H ILE A 110 2.677 19.503 8.270 1.00 0.00 H new ATOM 0 HA ILE A 110 0.118 18.690 7.247 1.00 0.00 H new ATOM 0 HB ILE A 110 2.365 17.103 8.574 1.00 0.00 H new ATOM 0 HG12 ILE A 110 1.723 17.578 5.639 1.00 0.00 H new ATOM 0 HG13 ILE A 110 3.041 18.328 6.518 1.00 0.00 H new ATOM 0 HG21 ILE A 110 1.343 15.141 7.481 1.00 0.00 H new ATOM 0 HG22 ILE A 110 0.229 15.901 8.641 1.00 0.00 H new ATOM 0 HG23 ILE A 110 0.010 16.164 6.895 1.00 0.00 H new ATOM 0 HD11 ILE A 110 3.840 16.471 5.156 1.00 0.00 H new ATOM 0 HD12 ILE A 110 4.070 16.121 6.886 1.00 0.00 H new ATOM 0 HD13 ILE A 110 2.732 15.359 5.993 1.00 0.00 H new ATOM 1973 N ILE B 206 26.263 14.434 8.324 1.00 0.00 N ATOM 1974 CA ILE B 206 26.328 14.656 6.898 1.00 0.00 C ATOM 1975 C ILE B 206 26.623 16.127 6.761 1.00 0.00 C ATOM 1976 O ILE B 206 26.297 16.877 7.669 1.00 0.00 O ATOM 1977 CB ILE B 206 24.973 14.399 6.172 1.00 0.00 C ATOM 1978 CG1 ILE B 206 24.217 13.193 6.730 1.00 0.00 C ATOM 1979 CG2 ILE B 206 25.261 14.131 4.712 1.00 0.00 C ATOM 1980 CD1 ILE B 206 22.847 13.024 6.127 1.00 0.00 C ATOM 0 HA ILE B 206 27.063 13.983 6.458 1.00 0.00 H new ATOM 0 HB ILE B 206 24.350 15.281 6.320 1.00 0.00 H new ATOM 0 HG12 ILE B 206 24.801 12.290 6.549 1.00 0.00 H new ATOM 0 HG13 ILE B 206 24.121 13.300 7.811 1.00 0.00 H new ATOM 0 HG21 ILE B 206 24.325 13.948 4.184 1.00 0.00 H new ATOM 0 HG22 ILE B 206 25.761 14.995 4.275 1.00 0.00 H new ATOM 0 HG23 ILE B 206 25.905 13.256 4.623 1.00 0.00 H new ATOM 0 HD11 ILE B 206 22.362 12.151 6.564 1.00 0.00 H new ATOM 0 HD12 ILE B 206 22.248 13.912 6.330 1.00 0.00 H new ATOM 0 HD13 ILE B 206 22.938 12.887 5.050 1.00 0.00 H new ATOM 1992 N ASP B 207 27.159 16.556 5.656 1.00 0.00 N ATOM 1993 CA ASP B 207 27.573 17.948 5.515 1.00 0.00 C ATOM 1994 C ASP B 207 26.719 18.656 4.464 1.00 0.00 C ATOM 1995 O ASP B 207 27.135 19.619 3.831 1.00 0.00 O ATOM 1996 CB ASP B 207 29.058 17.976 5.153 1.00 0.00 C ATOM 1997 CG ASP B 207 29.692 19.361 5.227 1.00 0.00 C ATOM 1998 OD1 ASP B 207 29.534 20.066 6.254 1.00 0.00 O1- ATOM 1999 OD2 ASP B 207 30.357 19.770 4.259 1.00 0.00 O ATOM 0 H ASP B 207 27.325 15.975 4.834 1.00 0.00 H new ATOM 0 HA ASP B 207 27.427 18.483 6.453 1.00 0.00 H new ATOM 0 HB2 ASP B 207 29.597 17.306 5.823 1.00 0.00 H new ATOM 0 HB3 ASP B 207 29.182 17.585 4.143 1.00 0.00 H new ATOM 2004 N ILE B 208 25.498 18.193 4.306 1.00 0.00 N ATOM 2005 CA ILE B 208 24.615 18.799 3.325 1.00 0.00 C ATOM 2006 C ILE B 208 23.572 19.666 4.020 1.00 0.00 C ATOM 2007 O ILE B 208 23.704 20.883 4.060 1.00 0.00 O ATOM 2008 CB ILE B 208 23.875 17.759 2.444 1.00 0.00 C ATOM 2009 CG1 ILE B 208 24.799 16.604 2.086 1.00 0.00 C ATOM 2010 CG2 ILE B 208 23.386 18.435 1.166 1.00 0.00 C ATOM 2011 CD1 ILE B 208 24.144 15.556 1.215 1.00 0.00 C ATOM 0 H ILE B 208 25.097 17.415 4.830 1.00 0.00 H new ATOM 0 HA ILE B 208 25.253 19.398 2.675 1.00 0.00 H new ATOM 0 HB ILE B 208 23.027 17.365 3.004 1.00 0.00 H new ATOM 0 HG12 ILE B 208 25.676 16.997 1.571 1.00 0.00 H new ATOM 0 HG13 ILE B 208 25.152 16.134 3.004 1.00 0.00 H new ATOM 0 HG21 ILE B 208 22.865 17.706 0.545 1.00 0.00 H new ATOM 0 HG22 ILE B 208 22.705 19.246 1.421 1.00 0.00 H new ATOM 0 HG23 ILE B 208 24.238 18.836 0.618 1.00 0.00 H new ATOM 0 HD11 ILE B 208 24.860 14.763 0.999 1.00 0.00 H new ATOM 0 HD12 ILE B 208 23.284 15.136 1.736 1.00 0.00 H new ATOM 0 HD13 ILE B 208 23.816 16.012 0.281 1.00 0.00 H new ATOM 2023 N MET B 209 22.560 18.997 4.614 1.00 0.00 N ATOM 2024 CA MET B 209 21.403 19.657 5.278 1.00 0.00 C ATOM 2025 C MET B 209 20.508 20.437 4.262 1.00 0.00 C ATOM 2026 O MET B 209 20.932 20.717 3.142 1.00 0.00 O ATOM 2027 CB MET B 209 21.848 20.554 6.459 1.00 0.00 C ATOM 2028 CG MET B 209 22.451 19.828 7.676 1.00 0.00 C ATOM 2029 SD MET B 209 21.247 18.941 8.740 1.00 0.00 S ATOM 2030 CE MET B 209 20.780 17.484 7.789 1.00 0.00 C ATOM 0 H MET B 209 22.518 17.978 4.649 1.00 0.00 H new ATOM 0 HA MET B 209 20.786 18.861 5.696 1.00 0.00 H new ATOM 0 HB2 MET B 209 22.583 21.269 6.088 1.00 0.00 H new ATOM 0 HB3 MET B 209 20.986 21.129 6.796 1.00 0.00 H new ATOM 0 HG2 MET B 209 23.192 19.112 7.320 1.00 0.00 H new ATOM 0 HG3 MET B 209 22.981 20.558 8.287 1.00 0.00 H new ATOM 0 HE1 MET B 209 20.769 16.611 8.442 1.00 0.00 H new ATOM 0 HE2 MET B 209 19.788 17.631 7.363 1.00 0.00 H new ATOM 0 HE3 MET B 209 21.500 17.327 6.986 1.00 0.00 H new ATOM 2040 N PRO B 210 19.233 20.719 4.610 1.00 0.00 N ATOM 2041 CA PRO B 210 18.318 21.465 3.724 1.00 0.00 C ATOM 2042 C PRO B 210 18.562 22.994 3.706 1.00 0.00 C ATOM 2043 O PRO B 210 19.327 23.539 4.517 1.00 0.00 O ATOM 2044 CB PRO B 210 16.948 21.159 4.320 1.00 0.00 C ATOM 2045 CG PRO B 210 17.203 20.951 5.768 1.00 0.00 C ATOM 2046 CD PRO B 210 18.545 20.288 5.857 1.00 0.00 C ATOM 0 HA PRO B 210 18.446 21.166 2.684 1.00 0.00 H new ATOM 0 HB2 PRO B 210 16.252 21.981 4.155 1.00 0.00 H new ATOM 0 HB3 PRO B 210 16.507 20.272 3.864 1.00 0.00 H new ATOM 0 HG2 PRO B 210 17.199 21.899 6.306 1.00 0.00 H new ATOM 0 HG3 PRO B 210 16.429 20.328 6.216 1.00 0.00 H new ATOM 0 HD2 PRO B 210 19.091 20.605 6.746 1.00 0.00 H new ATOM 0 HD3 PRO B 210 18.453 19.203 5.910 1.00 0.00 H new ATOM 2054 N ASP B 211 17.901 23.662 2.778 1.00 0.00 N ATOM 2055 CA ASP B 211 17.970 25.121 2.605 1.00 0.00 C ATOM 2056 C ASP B 211 16.583 25.744 2.757 1.00 0.00 C ATOM 2057 O ASP B 211 16.387 26.673 3.544 1.00 0.00 O ATOM 2058 CB ASP B 211 18.545 25.478 1.231 1.00 0.00 C ATOM 2059 CG ASP B 211 18.422 26.943 0.904 1.00 0.00 C ATOM 2060 OD1 ASP B 211 19.207 27.764 1.415 1.00 0.00 O ATOM 2061 OD2 ASP B 211 17.545 27.293 0.105 1.00 0.00 O1- ATOM 0 H ASP B 211 17.286 23.206 2.104 1.00 0.00 H new ATOM 0 HA ASP B 211 18.628 25.520 3.377 1.00 0.00 H new ATOM 0 HB2 ASP B 211 19.596 25.191 1.197 1.00 0.00 H new ATOM 0 HB3 ASP B 211 18.031 24.896 0.466 1.00 0.00 H new ATOM 2066 N PHE B 212 15.628 25.215 1.990 1.00 0.00 N ATOM 2067 CA PHE B 212 14.203 25.632 2.031 1.00 0.00 C ATOM 2068 C PHE B 212 13.908 27.100 1.636 1.00 0.00 C ATOM 2069 O PHE B 212 12.881 27.651 2.063 1.00 0.00 O ATOM 2070 CB PHE B 212 13.563 25.349 3.398 1.00 0.00 C ATOM 2071 CG PHE B 212 13.439 23.907 3.744 1.00 0.00 C ATOM 2072 CD1 PHE B 212 12.907 23.015 2.838 1.00 0.00 C ATOM 2073 CD2 PHE B 212 13.814 23.449 4.987 1.00 0.00 C ATOM 2074 CE1 PHE B 212 12.753 21.695 3.161 1.00 0.00 C ATOM 2075 CE2 PHE B 212 13.666 22.125 5.314 1.00 0.00 C ATOM 2076 CZ PHE B 212 13.131 21.250 4.397 1.00 0.00 C ATOM 0 H PHE B 212 15.812 24.476 1.311 1.00 0.00 H new ATOM 0 HA PHE B 212 13.753 25.014 1.254 1.00 0.00 H new ATOM 0 HB2 PHE B 212 14.154 25.843 4.169 1.00 0.00 H new ATOM 0 HB3 PHE B 212 12.571 25.800 3.419 1.00 0.00 H new ATOM 0 HD1 PHE B 212 12.608 23.363 1.860 1.00 0.00 H new ATOM 0 HD2 PHE B 212 14.228 24.137 5.710 1.00 0.00 H new ATOM 0 HE1 PHE B 212 12.334 21.007 2.442 1.00 0.00 H new ATOM 0 HE2 PHE B 212 13.969 21.771 6.288 1.00 0.00 H new ATOM 0 HZ PHE B 212 13.009 20.208 4.654 1.00 0.00 H new ATOM 2086 N SER B 213 14.693 27.698 0.780 1.00 0.00 N ATOM 2087 CA SER B 213 14.424 29.055 0.400 1.00 0.00 C ATOM 2088 C SER B 213 13.691 29.028 -0.923 1.00 0.00 C ATOM 2089 O SER B 213 13.674 27.986 -1.586 1.00 0.00 O ATOM 2090 CB SER B 213 15.745 29.799 0.236 1.00 0.00 C ATOM 2091 OG SER B 213 16.579 29.584 1.368 1.00 0.00 O ATOM 0 H SER B 213 15.510 27.274 0.340 1.00 0.00 H new ATOM 0 HA SER B 213 13.823 29.558 1.158 1.00 0.00 H new ATOM 0 HB2 SER B 213 16.252 29.458 -0.667 1.00 0.00 H new ATOM 0 HB3 SER B 213 15.556 30.865 0.113 1.00 0.00 H new ATOM 0 HG SER B 213 17.424 30.066 1.248 1.00 0.00 H new ATOM 2097 N PRO B 214 13.000 30.091 -1.299 1.00 0.00 N ATOM 2098 CA PRO B 214 12.492 30.197 -2.642 1.00 0.00 C ATOM 2099 C PRO B 214 13.584 30.674 -3.540 1.00 0.00 C ATOM 2100 O PRO B 214 14.624 31.199 -3.076 1.00 0.00 O ATOM 2101 CB PRO B 214 11.484 31.323 -2.579 1.00 0.00 C ATOM 2102 CG PRO B 214 11.949 32.178 -1.452 1.00 0.00 C ATOM 2103 CD PRO B 214 12.598 31.249 -0.458 1.00 0.00 C ATOM 0 HA PRO B 214 12.091 29.248 -2.999 1.00 0.00 H new ATOM 0 HB2 PRO B 214 11.454 31.881 -3.515 1.00 0.00 H new ATOM 0 HB3 PRO B 214 10.477 30.945 -2.401 1.00 0.00 H new ATOM 0 HG2 PRO B 214 12.656 32.930 -1.801 1.00 0.00 H new ATOM 0 HG3 PRO B 214 11.114 32.712 -0.998 1.00 0.00 H new ATOM 0 HD2 PRO B 214 13.457 31.713 0.028 1.00 0.00 H new ATOM 0 HD3 PRO B 214 11.906 30.954 0.331 1.00 0.00 H new ATOM 2111 N SER B 215 13.404 30.487 -4.766 1.00 0.00 N ATOM 2112 CA SER B 215 14.217 31.146 -5.679 1.00 0.00 C ATOM 2113 C SER B 215 13.534 32.484 -5.988 1.00 0.00 C ATOM 2114 O SER B 215 12.443 32.809 -5.477 1.00 0.00 O ATOM 2115 CB SER B 215 14.406 30.336 -6.967 1.00 0.00 C ATOM 2116 OG SER B 215 13.227 30.359 -7.759 1.00 0.00 O ATOM 0 H SER B 215 12.694 29.877 -5.170 1.00 0.00 H new ATOM 0 HA SER B 215 15.212 31.289 -5.258 1.00 0.00 H new ATOM 0 HB2 SER B 215 15.240 30.743 -7.538 1.00 0.00 H new ATOM 0 HB3 SER B 215 14.662 29.306 -6.719 1.00 0.00 H new ATOM 0 HG SER B 215 12.579 29.717 -7.400 1.00 0.00 H new ATOM 2122 N GLY B 216 14.146 33.191 -6.804 1.00 0.00 N ATOM 2123 CA GLY B 216 13.692 34.458 -7.252 1.00 0.00 C ATOM 2124 C GLY B 216 13.138 34.330 -8.637 1.00 0.00 C ATOM 2125 O GLY B 216 12.404 35.194 -9.097 1.00 0.00 O ATOM 0 H GLY B 216 15.034 32.911 -7.220 1.00 0.00 H new ATOM 0 HA2 GLY B 216 12.927 34.841 -6.577 1.00 0.00 H new ATOM 0 HA3 GLY B 216 14.513 35.175 -7.242 1.00 0.00 H new ATOM 2129 N LEU B 217 13.454 33.191 -9.293 1.00 0.00 N ATOM 2130 CA LEU B 217 12.981 32.906 -10.651 1.00 0.00 C ATOM 2131 C LEU B 217 11.480 32.888 -10.602 1.00 0.00 C ATOM 2132 O LEU B 217 10.785 33.452 -11.443 1.00 0.00 O ATOM 2133 CB LEU B 217 13.408 31.494 -11.085 1.00 0.00 C ATOM 2134 CG LEU B 217 14.854 31.074 -10.855 1.00 0.00 C ATOM 2135 CD1 LEU B 217 15.059 29.668 -11.348 1.00 0.00 C ATOM 2136 CD2 LEU B 217 15.820 32.005 -11.527 1.00 0.00 C ATOM 0 H LEU B 217 14.038 32.456 -8.895 1.00 0.00 H new ATOM 0 HA LEU B 217 13.385 33.651 -11.336 1.00 0.00 H new ATOM 0 HB2 LEU B 217 12.768 30.779 -10.568 1.00 0.00 H new ATOM 0 HB3 LEU B 217 13.199 31.396 -12.150 1.00 0.00 H new ATOM 0 HG LEU B 217 15.050 31.119 -9.784 1.00 0.00 H new ATOM 0 HD11 LEU B 217 16.095 29.371 -11.182 1.00 0.00 H new ATOM 0 HD12 LEU B 217 14.397 28.992 -10.807 1.00 0.00 H new ATOM 0 HD13 LEU B 217 14.834 29.620 -12.414 1.00 0.00 H new ATOM 0 HD21 LEU B 217 16.840 31.670 -11.338 1.00 0.00 H new ATOM 0 HD22 LEU B 217 15.633 32.011 -12.601 1.00 0.00 H new ATOM 0 HD23 LEU B 217 15.690 33.012 -11.131 1.00 0.00 H new ATOM 2148 N LEU B 218 11.022 32.273 -9.552 1.00 0.00 N ATOM 2149 CA LEU B 218 9.651 32.024 -9.272 1.00 0.00 C ATOM 2150 C LEU B 218 8.809 33.315 -9.242 1.00 0.00 C ATOM 2151 O LEU B 218 7.708 33.353 -9.788 1.00 0.00 O ATOM 2152 CB LEU B 218 9.581 31.299 -7.941 1.00 0.00 C ATOM 2153 CG LEU B 218 8.600 30.124 -7.893 1.00 0.00 C ATOM 2154 CD1 LEU B 218 8.945 29.083 -8.918 1.00 0.00 C ATOM 2155 CD2 LEU B 218 8.585 29.499 -6.544 1.00 0.00 C ATOM 0 H LEU B 218 11.641 31.912 -8.826 1.00 0.00 H new ATOM 0 HA LEU B 218 9.227 31.414 -10.070 1.00 0.00 H new ATOM 0 HB2 LEU B 218 10.577 30.932 -7.692 1.00 0.00 H new ATOM 0 HB3 LEU B 218 9.303 32.016 -7.168 1.00 0.00 H new ATOM 0 HG LEU B 218 7.610 30.523 -8.115 1.00 0.00 H new ATOM 0 HD11 LEU B 218 8.230 28.262 -8.858 1.00 0.00 H new ATOM 0 HD12 LEU B 218 8.907 29.526 -9.913 1.00 0.00 H new ATOM 0 HD13 LEU B 218 9.949 28.704 -8.728 1.00 0.00 H new ATOM 0 HD21 LEU B 218 7.881 28.667 -6.536 1.00 0.00 H new ATOM 0 HD22 LEU B 218 9.582 29.132 -6.302 1.00 0.00 H new ATOM 0 HD23 LEU B 218 8.281 30.239 -5.804 1.00 0.00 H new ATOM 2167 N GLU B 219 9.339 34.367 -8.642 1.00 0.00 N ATOM 2168 CA GLU B 219 8.605 35.626 -8.538 1.00 0.00 C ATOM 2169 C GLU B 219 8.798 36.510 -9.773 1.00 0.00 C ATOM 2170 O GLU B 219 8.163 37.560 -9.908 1.00 0.00 O ATOM 2171 CB GLU B 219 8.942 36.393 -7.256 1.00 0.00 C ATOM 2172 CG GLU B 219 10.413 36.708 -7.056 1.00 0.00 C ATOM 2173 CD GLU B 219 10.630 37.655 -5.908 1.00 0.00 C ATOM 2174 OE1 GLU B 219 10.612 38.880 -6.140 1.00 0.00 O ATOM 2175 OE2 GLU B 219 10.795 37.208 -4.758 1.00 0.00 O1- ATOM 0 H GLU B 219 10.268 34.380 -8.221 1.00 0.00 H new ATOM 0 HA GLU B 219 7.550 35.357 -8.487 1.00 0.00 H new ATOM 0 HB2 GLU B 219 8.384 37.329 -7.255 1.00 0.00 H new ATOM 0 HB3 GLU B 219 8.592 35.812 -6.402 1.00 0.00 H new ATOM 0 HG2 GLU B 219 10.961 35.784 -6.873 1.00 0.00 H new ATOM 0 HG3 GLU B 219 10.819 37.144 -7.969 1.00 0.00 H new ATOM 2182 N LEU B 220 9.709 36.123 -10.637 1.00 0.00 N ATOM 2183 CA LEU B 220 9.937 36.853 -11.875 1.00 0.00 C ATOM 2184 C LEU B 220 9.050 36.293 -12.982 1.00 0.00 C ATOM 2185 O LEU B 220 8.531 37.035 -13.823 1.00 0.00 O ATOM 2186 CB LEU B 220 11.413 36.787 -12.284 1.00 0.00 C ATOM 2187 CG LEU B 220 12.416 37.408 -11.302 1.00 0.00 C ATOM 2188 CD1 LEU B 220 13.838 37.222 -11.803 1.00 0.00 C ATOM 2189 CD2 LEU B 220 12.121 38.888 -11.085 1.00 0.00 C ATOM 0 H LEU B 220 10.307 35.307 -10.510 1.00 0.00 H new ATOM 0 HA LEU B 220 9.679 37.900 -11.712 1.00 0.00 H new ATOM 0 HB2 LEU B 220 11.681 35.741 -12.432 1.00 0.00 H new ATOM 0 HB3 LEU B 220 11.524 37.284 -13.248 1.00 0.00 H new ATOM 0 HG LEU B 220 12.313 36.895 -10.346 1.00 0.00 H new ATOM 0 HD11 LEU B 220 14.535 37.669 -11.094 1.00 0.00 H new ATOM 0 HD12 LEU B 220 14.053 36.158 -11.902 1.00 0.00 H new ATOM 0 HD13 LEU B 220 13.948 37.706 -12.774 1.00 0.00 H new ATOM 0 HD21 LEU B 220 12.846 39.305 -10.385 1.00 0.00 H new ATOM 0 HD22 LEU B 220 12.190 39.416 -12.036 1.00 0.00 H new ATOM 0 HD23 LEU B 220 11.116 39.003 -10.678 1.00 0.00 H new ATOM 2201 N GLU B 221 8.868 34.982 -12.951 1.00 0.00 N ATOM 2202 CA GLU B 221 8.048 34.265 -13.924 1.00 0.00 C ATOM 2203 C GLU B 221 6.558 34.484 -13.681 1.00 0.00 C ATOM 2204 O GLU B 221 5.743 34.377 -14.609 1.00 0.00 O ATOM 2205 CB GLU B 221 8.373 32.773 -13.878 1.00 0.00 C ATOM 2206 CG GLU B 221 9.776 32.435 -14.352 1.00 0.00 C ATOM 2207 CD GLU B 221 9.950 32.486 -15.862 1.00 0.00 C ATOM 2208 OE1 GLU B 221 9.356 33.357 -16.528 1.00 0.00 O1- ATOM 2209 OE2 GLU B 221 10.676 31.633 -16.409 1.00 0.00 O ATOM 0 H GLU B 221 9.288 34.377 -12.245 1.00 0.00 H new ATOM 0 HA GLU B 221 8.282 34.660 -14.912 1.00 0.00 H new ATOM 0 HB2 GLU B 221 8.249 32.415 -12.856 1.00 0.00 H new ATOM 0 HB3 GLU B 221 7.652 32.235 -14.494 1.00 0.00 H new ATOM 0 HG2 GLU B 221 10.480 33.128 -13.892 1.00 0.00 H new ATOM 0 HG3 GLU B 221 10.036 31.437 -14.000 1.00 0.00 H new ATOM 2461 N PRO C 315 -4.270 23.408 0.037 1.00 0.00 N ATOM 2462 CA PRO C 315 -2.912 24.005 -0.011 1.00 0.00 C ATOM 2463 C PRO C 315 -2.288 24.233 1.379 1.00 0.00 C ATOM 2464 O PRO C 315 -2.993 24.534 2.364 1.00 0.00 O ATOM 2465 CB PRO C 315 -3.154 25.363 -0.685 1.00 0.00 C ATOM 2466 CG PRO C 315 -4.356 25.162 -1.517 1.00 0.00 C ATOM 2467 CD PRO C 315 -5.234 24.225 -0.745 1.00 0.00 C ATOM 0 HA PRO C 315 -2.215 23.346 -0.529 1.00 0.00 H new ATOM 0 HB2 PRO C 315 -3.311 26.149 0.054 1.00 0.00 H new ATOM 0 HB3 PRO C 315 -2.299 25.662 -1.291 1.00 0.00 H new ATOM 0 HG2 PRO C 315 -4.864 26.108 -1.706 1.00 0.00 H new ATOM 0 HG3 PRO C 315 -4.094 24.742 -2.488 1.00 0.00 H new ATOM 0 HD2 PRO C 315 -5.922 24.765 -0.095 1.00 0.00 H new ATOM 0 HD3 PRO C 315 -5.840 23.606 -1.407 1.00 0.00 H new ATOM 2475 N GLY C 316 -0.984 24.078 1.450 1.00 0.00 N ATOM 2476 CA GLY C 316 -0.250 24.308 2.672 1.00 0.00 C ATOM 2477 C GLY C 316 0.059 25.781 2.858 1.00 0.00 C ATOM 2478 O GLY C 316 -0.193 26.595 1.952 1.00 0.00 O ATOM 0 H GLY C 316 -0.404 23.789 0.662 1.00 0.00 H new ATOM 0 HA2 GLY C 316 -0.830 23.945 3.521 1.00 0.00 H new ATOM 0 HA3 GLY C 316 0.679 23.738 2.654 1.00 0.00 H new ATOM 2482 N SER C 317 0.635 26.144 3.982 1.00 0.00 N ATOM 2483 CA SER C 317 0.897 27.545 4.257 1.00 0.00 C ATOM 2484 C SER C 317 2.221 28.016 3.635 1.00 0.00 C ATOM 2485 O SER C 317 2.588 29.195 3.759 1.00 0.00 O ATOM 2486 CB SER C 317 0.864 27.823 5.769 1.00 0.00 C ATOM 2487 OG SER C 317 0.966 29.217 6.051 1.00 0.00 O ATOM 0 H SER C 317 0.929 25.499 4.715 1.00 0.00 H new ATOM 0 HA SER C 317 0.101 28.122 3.787 1.00 0.00 H new ATOM 0 HB2 SER C 317 -0.063 27.433 6.191 1.00 0.00 H new ATOM 0 HB3 SER C 317 1.683 27.293 6.255 1.00 0.00 H new ATOM 0 HG SER C 317 1.470 29.659 5.337 1.00 0.00 H new ATOM 2493 N ARG C 318 2.927 27.122 2.941 1.00 0.00 N ATOM 2494 CA ARG C 318 4.186 27.515 2.312 1.00 0.00 C ATOM 2495 C ARG C 318 3.947 28.095 0.926 1.00 0.00 C ATOM 2496 O ARG C 318 4.891 28.401 0.202 1.00 0.00 O ATOM 2497 CB ARG C 318 5.195 26.375 2.199 1.00 0.00 C ATOM 2498 CG ARG C 318 5.578 25.688 3.495 1.00 0.00 C ATOM 2499 CD ARG C 318 6.930 25.006 3.344 1.00 0.00 C ATOM 2500 NE ARG C 318 8.043 25.981 3.404 1.00 0.00 N ATOM 2501 CZ ARG C 318 8.757 26.495 2.381 1.00 0.00 C ATOM 2502 NH1 ARG C 318 8.397 26.284 1.109 1.00 0.00 N1+ ATOM 2503 NH2 ARG C 318 9.791 27.275 2.664 1.00 0.00 N ATOM 0 H ARG C 318 2.658 26.148 2.803 1.00 0.00 H new ATOM 0 HA ARG C 318 4.612 28.270 2.972 1.00 0.00 H new ATOM 0 HB2 ARG C 318 4.789 25.625 1.521 1.00 0.00 H new ATOM 0 HB3 ARG C 318 6.102 26.765 1.737 1.00 0.00 H new ATOM 0 HG2 ARG C 318 5.618 26.417 4.304 1.00 0.00 H new ATOM 0 HG3 ARG C 318 4.819 24.953 3.765 1.00 0.00 H new ATOM 0 HD2 ARG C 318 7.053 24.263 4.132 1.00 0.00 H new ATOM 0 HD3 ARG C 318 6.964 24.472 2.395 1.00 0.00 H new ATOM 0 HE ARG C 318 8.302 26.305 4.336 1.00 0.00 H new ATOM 0 HH11 ARG C 318 7.569 25.726 0.899 1.00 0.00 H new ATOM 0 HH12 ARG C 318 8.950 26.681 0.350 1.00 0.00 H new ATOM 0 HH21 ARG C 318 10.029 27.473 3.636 1.00 0.00 H new ATOM 0 HH22 ARG C 318 10.348 27.677 1.910 1.00 0.00 H new ATOM 2517 N TRP C 319 2.692 28.212 0.541 1.00 0.00 N ATOM 2518 CA TRP C 319 2.366 28.816 -0.720 1.00 0.00 C ATOM 2519 C TRP C 319 2.438 30.324 -0.580 1.00 0.00 C ATOM 2520 O TRP C 319 1.727 30.932 0.231 1.00 0.00 O ATOM 2521 CB TRP C 319 0.991 28.351 -1.239 1.00 0.00 C ATOM 2522 CG TRP C 319 0.532 29.011 -2.527 1.00 0.00 C ATOM 2523 CD1 TRP C 319 1.308 29.506 -3.551 1.00 0.00 C ATOM 2524 CD2 TRP C 319 -0.823 29.213 -2.933 1.00 0.00 C ATOM 2525 NE1 TRP C 319 0.510 30.025 -4.533 1.00 0.00 N ATOM 2526 CE2 TRP C 319 -0.796 29.854 -4.189 1.00 0.00 C ATOM 2527 CE3 TRP C 319 -2.056 28.920 -2.353 1.00 0.00 C ATOM 2528 CZ2 TRP C 319 -1.957 30.211 -4.873 1.00 0.00 C ATOM 2529 CZ3 TRP C 319 -3.204 29.265 -3.028 1.00 0.00 C ATOM 2530 CH2 TRP C 319 -3.148 29.908 -4.276 1.00 0.00 C ATOM 0 H TRP C 319 1.890 27.896 1.086 1.00 0.00 H new ATOM 0 HA TRP C 319 3.093 28.496 -1.466 1.00 0.00 H new ATOM 0 HB2 TRP C 319 1.024 27.272 -1.393 1.00 0.00 H new ATOM 0 HB3 TRP C 319 0.246 28.540 -0.467 1.00 0.00 H new ATOM 0 HD1 TRP C 319 2.388 29.487 -3.575 1.00 0.00 H new ATOM 0 HE1 TRP C 319 0.841 30.470 -5.389 1.00 0.00 H new ATOM 0 HE3 TRP C 319 -2.109 28.431 -1.391 1.00 0.00 H new ATOM 0 HZ2 TRP C 319 -1.917 30.705 -5.832 1.00 0.00 H new ATOM 0 HZ3 TRP C 319 -4.165 29.038 -2.591 1.00 0.00 H new ATOM 0 HH2 TRP C 319 -4.069 30.169 -4.776 1.00 0.00 H new ATOM 2541 N ASP C 320 3.318 30.896 -1.361 1.00 0.00 N ATOM 2542 CA ASP C 320 3.598 32.336 -1.415 1.00 0.00 C ATOM 2543 C ASP C 320 2.349 33.178 -1.726 1.00 0.00 C ATOM 2544 O ASP C 320 2.245 34.324 -1.312 1.00 0.00 O ATOM 2545 CB ASP C 320 4.691 32.569 -2.469 1.00 0.00 C ATOM 2546 CG ASP C 320 4.995 34.022 -2.760 1.00 0.00 C ATOM 2547 OD1 ASP C 320 5.528 34.723 -1.877 1.00 0.00 O ATOM 2548 OD2 ASP C 320 4.779 34.453 -3.908 1.00 0.00 O1- ATOM 0 H ASP C 320 3.893 30.360 -2.011 1.00 0.00 H new ATOM 0 HA ASP C 320 3.935 32.662 -0.431 1.00 0.00 H new ATOM 0 HB2 ASP C 320 5.607 32.081 -2.136 1.00 0.00 H new ATOM 0 HB3 ASP C 320 4.390 32.083 -3.397 1.00 0.00 H new ATOM 2553 N GLY C 321 1.396 32.589 -2.415 1.00 0.00 N ATOM 2554 CA GLY C 321 0.200 33.315 -2.799 1.00 0.00 C ATOM 2555 C GLY C 321 0.353 33.849 -4.186 1.00 0.00 C ATOM 2556 O GLY C 321 -0.427 34.691 -4.651 1.00 0.00 O ATOM 0 H GLY C 321 1.423 31.616 -2.720 1.00 0.00 H new ATOM 0 HA2 GLY C 321 -0.668 32.657 -2.747 1.00 0.00 H new ATOM 0 HA3 GLY C 321 0.022 34.134 -2.102 1.00 0.00 H new