USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 597 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 65 ASN : amide:sc= -4.43! C(o=-6.7!,f=-6.6!) USER MOD Set 1.2: A 68 HIS : no HD1:sc= -2.27 X(o=-6.7,f=-7.2!) USER MOD Set 2.1: A 50 LYS NZ :NH3+ -150:sc= -0.633! (180deg=-3.66!) USER MOD Set 2.2: A 75 TYR OH : rot 180:sc= -0.123 USER MOD Set 3.1: A 13 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 17 ASN : amide:sc= -1.34 K(o=-1.3,f=-2.2!) USER MOD Single : A 9 ASN : amide:sc= -1.48 K(o=-1.5,f=-3.8!) USER MOD Single : A 12 GLN : amide:sc= -0.789 K(o=-0.79,f=-3.3!) USER MOD Single : A 16 MET CE :methyl 145:sc= 0 (180deg=-0.75) USER MOD Single : A 20 SER OG : rot 180:sc=-0.00519 USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 HIS : no HD1:sc= -9.69! C(o=-9.7!,f=-11!) USER MOD Single : A 27 SER OG : rot 162:sc= 0.633 USER MOD Single : A 32 HIS : no HD1:sc= -0.609 X(o=-0.61,f=-0.61) USER MOD Single : A 34 GLN : amide:sc= -10.4! C(o=-10!,f=-21!) USER MOD Single : A 45 MET CE :methyl -174:sc=-0.00106 (180deg=-0.0676) USER MOD Single : A 46 SER OG : rot 180:sc= 0.02 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= -0.586 X(o=-0.59,f=-0.93) USER MOD Single : A 52 GLN : amide:sc= -1.77 X(o=-1.8,f=-1.5) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= -1.55 USER MOD Single : A 59 MET CE :methyl -152:sc= -0.0457 (180deg=-0.548) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.515 USER MOD Single : A 85 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.00496) USER MOD ----------------------------------------------------------------- ATOM 127 N ASN A 9 -8.691 0.678 -5.866 1.00 0.00 N ATOM 128 CA ASN A 9 -9.974 0.901 -5.222 1.00 0.00 C ATOM 129 C ASN A 9 -11.020 -0.026 -5.843 1.00 0.00 C ATOM 130 O ASN A 9 -12.010 -0.370 -5.200 1.00 0.00 O ATOM 131 CB ASN A 9 -10.445 2.344 -5.417 1.00 0.00 C ATOM 132 CG ASN A 9 -11.840 2.550 -4.823 1.00 0.00 C ATOM 133 OD1 ASN A 9 -12.822 1.978 -5.266 1.00 0.00 O ATOM 134 ND2 ASN A 9 -11.871 3.398 -3.799 1.00 0.00 N ATOM 0 HA ASN A 9 -9.856 0.701 -4.157 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -9.740 3.028 -4.944 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -10.459 2.585 -6.480 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -12.755 3.604 -3.334 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -11.011 3.843 -3.479 1.00 0.00 H new ATOM 141 N GLU A 10 -10.764 -0.405 -7.087 1.00 0.00 N ATOM 142 CA GLU A 10 -11.672 -1.286 -7.802 1.00 0.00 C ATOM 143 C GLU A 10 -11.787 -2.629 -7.079 1.00 0.00 C ATOM 144 O GLU A 10 -12.792 -2.901 -6.424 1.00 0.00 O ATOM 145 CB GLU A 10 -11.219 -1.480 -9.251 1.00 0.00 C ATOM 146 CG GLU A 10 -12.366 -1.205 -10.225 1.00 0.00 C ATOM 147 CD GLU A 10 -12.038 -0.024 -11.140 1.00 0.00 C ATOM 148 OE1 GLU A 10 -11.596 -0.227 -12.281 1.00 0.00 O ATOM 149 OE2 GLU A 10 -12.257 1.140 -10.629 1.00 0.00 O ATOM 0 H GLU A 10 -9.941 -0.118 -7.618 1.00 0.00 H new ATOM 0 HA GLU A 10 -12.658 -0.821 -7.823 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -10.385 -0.812 -9.468 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -10.856 -2.498 -9.389 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -12.558 -2.093 -10.827 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -13.279 -0.995 -9.667 1.00 0.00 H new ATOM 157 N ILE A 11 -10.745 -3.434 -7.224 1.00 0.00 N ATOM 158 CA ILE A 11 -10.717 -4.743 -6.593 1.00 0.00 C ATOM 159 C ILE A 11 -10.923 -4.582 -5.086 1.00 0.00 C ATOM 160 O ILE A 11 -11.312 -5.530 -4.404 1.00 0.00 O ATOM 161 CB ILE A 11 -9.432 -5.488 -6.962 1.00 0.00 C ATOM 162 CG1 ILE A 11 -8.215 -4.566 -6.861 1.00 0.00 C ATOM 163 CG2 ILE A 11 -9.550 -6.133 -8.344 1.00 0.00 C ATOM 164 CD1 ILE A 11 -7.717 -4.163 -8.251 1.00 0.00 C ATOM 0 H ILE A 11 -9.914 -3.205 -7.769 1.00 0.00 H new ATOM 0 HA ILE A 11 -11.535 -5.362 -6.963 1.00 0.00 H new ATOM 0 HB ILE A 11 -9.286 -6.294 -6.242 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -8.476 -3.674 -6.291 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -7.416 -5.070 -6.316 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -8.624 -6.656 -8.582 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -10.378 -6.842 -8.345 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -9.733 -5.361 -9.091 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -6.852 -3.508 -8.152 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -7.434 -5.056 -8.809 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -8.510 -3.638 -8.784 1.00 0.00 H new ATOM 176 N GLN A 12 -10.654 -3.376 -4.609 1.00 0.00 N ATOM 177 CA GLN A 12 -10.805 -3.079 -3.195 1.00 0.00 C ATOM 178 C GLN A 12 -12.284 -2.904 -2.845 1.00 0.00 C ATOM 179 O GLN A 12 -12.715 -3.272 -1.753 1.00 0.00 O ATOM 180 CB GLN A 12 -9.999 -1.838 -2.806 1.00 0.00 C ATOM 181 CG GLN A 12 -9.354 -2.012 -1.429 1.00 0.00 C ATOM 182 CD GLN A 12 -10.048 -1.138 -0.384 1.00 0.00 C ATOM 183 OE1 GLN A 12 -10.909 -1.579 0.361 1.00 0.00 O ATOM 184 NE2 GLN A 12 -9.628 0.124 -0.369 1.00 0.00 N ATOM 0 H GLN A 12 -10.332 -2.592 -5.177 1.00 0.00 H new ATOM 0 HA GLN A 12 -10.413 -3.920 -2.623 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -9.227 -1.653 -3.553 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -10.651 -0.964 -2.798 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -9.409 -3.058 -1.128 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -8.297 -1.751 -1.483 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -8.904 0.428 -1.020 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -10.030 0.787 0.293 1.00 0.00 H new ATOM 193 N SER A 13 -13.021 -2.342 -3.792 1.00 0.00 N ATOM 194 CA SER A 13 -14.443 -2.113 -3.597 1.00 0.00 C ATOM 195 C SER A 13 -15.205 -3.435 -3.708 1.00 0.00 C ATOM 196 O SER A 13 -16.179 -3.657 -2.990 1.00 0.00 O ATOM 197 CB SER A 13 -14.982 -1.103 -4.611 1.00 0.00 C ATOM 198 OG SER A 13 -16.280 -0.632 -4.257 1.00 0.00 O ATOM 0 H SER A 13 -12.660 -2.038 -4.696 1.00 0.00 H new ATOM 0 HA SER A 13 -14.590 -1.699 -2.600 1.00 0.00 H new ATOM 0 HB2 SER A 13 -14.296 -0.258 -4.681 1.00 0.00 H new ATOM 0 HB3 SER A 13 -15.020 -1.565 -5.598 1.00 0.00 H new ATOM 0 HG SER A 13 -16.589 0.012 -4.928 1.00 0.00 H new ATOM 204 N VAL A 14 -14.734 -4.279 -4.614 1.00 0.00 N ATOM 205 CA VAL A 14 -15.359 -5.573 -4.829 1.00 0.00 C ATOM 206 C VAL A 14 -14.960 -6.521 -3.696 1.00 0.00 C ATOM 207 O VAL A 14 -15.744 -7.380 -3.295 1.00 0.00 O ATOM 208 CB VAL A 14 -14.991 -6.109 -6.214 1.00 0.00 C ATOM 209 CG1 VAL A 14 -15.535 -7.524 -6.416 1.00 0.00 C ATOM 210 CG2 VAL A 14 -15.487 -5.168 -7.314 1.00 0.00 C ATOM 0 H VAL A 14 -13.926 -4.092 -5.208 1.00 0.00 H new ATOM 0 HA VAL A 14 -16.445 -5.481 -4.809 1.00 0.00 H new ATOM 0 HB VAL A 14 -13.904 -6.156 -6.278 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -15.260 -7.882 -7.408 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -15.113 -8.187 -5.661 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -16.621 -7.513 -6.323 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -15.213 -5.571 -8.289 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -16.571 -5.075 -7.252 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -15.031 -4.186 -7.186 1.00 0.00 H new ATOM 220 N LEU A 15 -13.741 -6.334 -3.212 1.00 0.00 N ATOM 221 CA LEU A 15 -13.229 -7.162 -2.133 1.00 0.00 C ATOM 222 C LEU A 15 -13.981 -6.834 -0.843 1.00 0.00 C ATOM 223 O LEU A 15 -14.336 -7.732 -0.081 1.00 0.00 O ATOM 224 CB LEU A 15 -11.711 -7.009 -2.016 1.00 0.00 C ATOM 225 CG LEU A 15 -11.085 -7.513 -0.713 1.00 0.00 C ATOM 226 CD1 LEU A 15 -11.103 -9.042 -0.652 1.00 0.00 C ATOM 227 CD2 LEU A 15 -9.675 -6.949 -0.528 1.00 0.00 C ATOM 0 H LEU A 15 -13.093 -5.621 -3.547 1.00 0.00 H new ATOM 0 HA LEU A 15 -13.405 -8.217 -2.345 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -11.247 -7.539 -2.848 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -11.462 -5.954 -2.132 1.00 0.00 H new ATOM 0 HG LEU A 15 -11.689 -7.150 0.119 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -10.653 -9.374 0.283 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -12.133 -9.396 -0.705 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -10.537 -9.446 -1.491 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -9.253 -7.323 0.405 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -9.046 -7.262 -1.361 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -9.720 -5.860 -0.496 1.00 0.00 H new ATOM 239 N MET A 16 -14.204 -5.544 -0.636 1.00 0.00 N ATOM 240 CA MET A 16 -14.908 -5.086 0.549 1.00 0.00 C ATOM 241 C MET A 16 -16.414 -5.324 0.418 1.00 0.00 C ATOM 242 O MET A 16 -17.047 -5.837 1.340 1.00 0.00 O ATOM 243 CB MET A 16 -14.643 -3.593 0.756 1.00 0.00 C ATOM 244 CG MET A 16 -13.290 -3.365 1.433 1.00 0.00 C ATOM 245 SD MET A 16 -13.398 -1.991 2.566 1.00 0.00 S ATOM 246 CE MET A 16 -12.018 -2.361 3.635 1.00 0.00 C ATOM 0 H MET A 16 -13.909 -4.801 -1.270 1.00 0.00 H new ATOM 0 HA MET A 16 -14.543 -5.651 1.407 1.00 0.00 H new ATOM 0 HB2 MET A 16 -14.664 -3.080 -0.205 1.00 0.00 H new ATOM 0 HB3 MET A 16 -15.436 -3.160 1.366 1.00 0.00 H new ATOM 0 HG2 MET A 16 -12.985 -4.265 1.968 1.00 0.00 H new ATOM 0 HG3 MET A 16 -12.526 -3.167 0.681 1.00 0.00 H new ATOM 0 HE1 MET A 16 -11.548 -1.432 3.958 1.00 0.00 H new ATOM 0 HE2 MET A 16 -12.371 -2.911 4.507 1.00 0.00 H new ATOM 0 HE3 MET A 16 -11.291 -2.966 3.094 1.00 0.00 H new ATOM 256 N ASN A 17 -16.944 -4.941 -0.734 1.00 0.00 N ATOM 257 CA ASN A 17 -18.363 -5.106 -0.997 1.00 0.00 C ATOM 258 C ASN A 17 -18.742 -6.578 -0.820 1.00 0.00 C ATOM 259 O ASN A 17 -19.809 -6.889 -0.293 1.00 0.00 O ATOM 260 CB ASN A 17 -18.709 -4.698 -2.431 1.00 0.00 C ATOM 261 CG ASN A 17 -18.905 -3.184 -2.538 1.00 0.00 C ATOM 262 OD1 ASN A 17 -19.304 -2.516 -1.598 1.00 0.00 O ATOM 263 ND2 ASN A 17 -18.604 -2.683 -3.732 1.00 0.00 N ATOM 0 H ASN A 17 -16.416 -4.517 -1.496 1.00 0.00 H new ATOM 0 HA ASN A 17 -18.911 -4.472 -0.300 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -17.913 -5.014 -3.105 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -19.617 -5.209 -2.749 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -18.702 -1.683 -3.905 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -18.275 -3.299 -4.475 1.00 0.00 H new ATOM 270 N ALA A 18 -17.847 -7.445 -1.270 1.00 0.00 N ATOM 271 CA ALA A 18 -18.074 -8.876 -1.168 1.00 0.00 C ATOM 272 C ALA A 18 -17.842 -9.323 0.276 1.00 0.00 C ATOM 273 O ALA A 18 -18.707 -9.955 0.881 1.00 0.00 O ATOM 274 CB ALA A 18 -17.167 -9.609 -2.159 1.00 0.00 C ATOM 0 H ALA A 18 -16.963 -7.184 -1.706 1.00 0.00 H new ATOM 0 HA ALA A 18 -19.104 -9.121 -1.427 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -17.337 -10.683 -2.082 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -17.392 -9.277 -3.173 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -16.124 -9.390 -1.929 1.00 0.00 H new ATOM 280 N LEU A 19 -16.669 -8.978 0.788 1.00 0.00 N ATOM 281 CA LEU A 19 -16.312 -9.336 2.150 1.00 0.00 C ATOM 282 C LEU A 19 -14.964 -8.705 2.502 1.00 0.00 C ATOM 283 O LEU A 19 -13.942 -9.044 1.906 1.00 0.00 O ATOM 284 CB LEU A 19 -16.347 -10.855 2.331 1.00 0.00 C ATOM 285 CG LEU A 19 -15.154 -11.626 1.762 1.00 0.00 C ATOM 286 CD1 LEU A 19 -15.173 -13.084 2.225 1.00 0.00 C ATOM 287 CD2 LEU A 19 -15.104 -11.509 0.237 1.00 0.00 C ATOM 0 H LEU A 19 -15.954 -8.454 0.283 1.00 0.00 H new ATOM 0 HA LEU A 19 -17.043 -8.938 2.853 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -16.420 -11.072 3.397 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -17.256 -11.236 1.865 1.00 0.00 H new ATOM 0 HG LEU A 19 -14.240 -11.177 2.150 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -14.315 -13.610 1.807 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -15.126 -13.121 3.313 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -16.092 -13.562 1.885 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -14.247 -12.066 -0.143 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -16.020 -11.918 -0.189 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -15.009 -10.460 -0.045 1.00 0.00 H new ATOM 299 N SER A 20 -15.004 -7.799 3.467 1.00 0.00 N ATOM 300 CA SER A 20 -13.798 -7.118 3.905 1.00 0.00 C ATOM 301 C SER A 20 -13.108 -7.929 5.004 1.00 0.00 C ATOM 302 O SER A 20 -13.178 -9.157 5.011 1.00 0.00 O ATOM 303 CB SER A 20 -14.112 -5.707 4.406 1.00 0.00 C ATOM 304 OG SER A 20 -15.287 -5.175 3.798 1.00 0.00 O ATOM 0 H SER A 20 -15.853 -7.520 3.958 1.00 0.00 H new ATOM 0 HA SER A 20 -13.127 -7.030 3.051 1.00 0.00 H new ATOM 0 HB2 SER A 20 -14.241 -5.726 5.488 1.00 0.00 H new ATOM 0 HB3 SER A 20 -13.267 -5.051 4.197 1.00 0.00 H new ATOM 0 HG SER A 20 -15.455 -4.274 4.144 1.00 0.00 H new ATOM 310 N LEU A 21 -12.459 -7.210 5.907 1.00 0.00 N ATOM 311 CA LEU A 21 -11.757 -7.847 7.009 1.00 0.00 C ATOM 312 C LEU A 21 -11.081 -6.776 7.866 1.00 0.00 C ATOM 313 O LEU A 21 -11.142 -6.828 9.093 1.00 0.00 O ATOM 314 CB LEU A 21 -10.794 -8.914 6.485 1.00 0.00 C ATOM 315 CG LEU A 21 -10.795 -10.247 7.236 1.00 0.00 C ATOM 316 CD1 LEU A 21 -11.796 -11.224 6.617 1.00 0.00 C ATOM 317 CD2 LEU A 21 -9.386 -10.838 7.308 1.00 0.00 C ATOM 0 H LEU A 21 -12.404 -6.192 5.899 1.00 0.00 H new ATOM 0 HA LEU A 21 -12.460 -8.374 7.654 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -11.033 -9.109 5.440 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -9.783 -8.506 6.510 1.00 0.00 H new ATOM 0 HG LEU A 21 -11.118 -10.061 8.260 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -11.777 -12.163 7.170 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -12.798 -10.796 6.663 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -11.528 -11.409 5.577 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -9.416 -11.785 7.847 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -9.010 -11.006 6.299 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -8.727 -10.144 7.830 1.00 0.00 H new ATOM 329 N GLN A 22 -10.453 -5.829 7.185 1.00 0.00 N ATOM 330 CA GLN A 22 -9.766 -4.746 7.869 1.00 0.00 C ATOM 331 C GLN A 22 -8.945 -3.925 6.873 1.00 0.00 C ATOM 332 O GLN A 22 -9.195 -2.734 6.689 1.00 0.00 O ATOM 333 CB GLN A 22 -8.881 -5.283 8.996 1.00 0.00 C ATOM 334 CG GLN A 22 -8.790 -4.279 10.147 1.00 0.00 C ATOM 335 CD GLN A 22 -9.363 -4.870 11.437 1.00 0.00 C ATOM 336 OE1 GLN A 22 -8.757 -5.701 12.092 1.00 0.00 O ATOM 337 NE2 GLN A 22 -10.562 -4.395 11.763 1.00 0.00 N ATOM 0 H GLN A 22 -10.405 -5.789 6.167 1.00 0.00 H new ATOM 0 HA GLN A 22 -10.515 -4.094 8.318 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -9.285 -6.226 9.363 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -7.883 -5.492 8.611 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -7.750 -3.994 10.304 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -9.334 -3.371 9.886 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -11.014 -3.699 11.169 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -11.030 -4.726 12.607 1.00 0.00 H new ATOM 346 N GLU A 23 -7.983 -4.593 6.255 1.00 0.00 N ATOM 347 CA GLU A 23 -7.124 -3.940 5.281 1.00 0.00 C ATOM 348 C GLU A 23 -7.101 -4.736 3.975 1.00 0.00 C ATOM 349 O GLU A 23 -7.697 -5.808 3.887 1.00 0.00 O ATOM 350 CB GLU A 23 -5.710 -3.754 5.835 1.00 0.00 C ATOM 351 CG GLU A 23 -5.401 -2.273 6.064 1.00 0.00 C ATOM 352 CD GLU A 23 -5.464 -1.923 7.552 1.00 0.00 C ATOM 353 OE1 GLU A 23 -5.097 -2.750 8.399 1.00 0.00 O ATOM 354 OE2 GLU A 23 -5.913 -0.742 7.816 1.00 0.00 O ATOM 0 H GLU A 23 -7.779 -5.580 6.409 1.00 0.00 H new ATOM 0 HA GLU A 23 -7.530 -2.950 5.073 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -5.609 -4.300 6.773 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -4.985 -4.177 5.140 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -4.410 -2.040 5.674 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -6.113 -1.660 5.512 1.00 0.00 H new ATOM 362 N VAL A 24 -6.406 -4.181 2.993 1.00 0.00 N ATOM 363 CA VAL A 24 -6.297 -4.826 1.695 1.00 0.00 C ATOM 364 C VAL A 24 -4.871 -4.662 1.167 1.00 0.00 C ATOM 365 O VAL A 24 -4.128 -3.798 1.632 1.00 0.00 O ATOM 366 CB VAL A 24 -7.355 -4.266 0.743 1.00 0.00 C ATOM 367 CG1 VAL A 24 -8.763 -4.464 1.309 1.00 0.00 C ATOM 368 CG2 VAL A 24 -7.091 -2.791 0.435 1.00 0.00 C ATOM 0 H VAL A 24 -5.913 -3.292 3.070 1.00 0.00 H new ATOM 0 HA VAL A 24 -6.490 -5.895 1.782 1.00 0.00 H new ATOM 0 HB VAL A 24 -7.289 -4.821 -0.193 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -9.496 -4.057 0.612 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -8.951 -5.528 1.453 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -8.846 -3.948 2.266 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -7.858 -2.418 -0.244 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -7.115 -2.216 1.361 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -6.111 -2.686 -0.032 1.00 0.00 H new ATOM 378 N HIS A 25 -4.530 -5.504 0.203 1.00 0.00 N ATOM 379 CA HIS A 25 -3.206 -5.464 -0.393 1.00 0.00 C ATOM 380 C HIS A 25 -3.299 -5.832 -1.875 1.00 0.00 C ATOM 381 O HIS A 25 -3.702 -6.942 -2.219 1.00 0.00 O ATOM 382 CB HIS A 25 -2.234 -6.358 0.380 1.00 0.00 C ATOM 383 CG HIS A 25 -1.783 -5.778 1.699 1.00 0.00 C ATOM 384 ND1 HIS A 25 -1.673 -6.535 2.852 1.00 0.00 N ATOM 385 CD2 HIS A 25 -1.414 -4.509 2.035 1.00 0.00 C ATOM 386 CE1 HIS A 25 -1.257 -5.746 3.832 1.00 0.00 C ATOM 387 NE2 HIS A 25 -1.098 -4.491 3.324 1.00 0.00 N ATOM 0 H HIS A 25 -5.149 -6.219 -0.180 1.00 0.00 H new ATOM 0 HA HIS A 25 -2.806 -4.452 -0.330 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -2.709 -7.322 0.562 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -1.358 -6.547 -0.241 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -1.384 -3.662 1.366 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -1.076 -6.045 4.854 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -0.787 -3.673 3.848 1.00 0.00 H new ATOM 395 N VAL A 26 -2.919 -4.879 -2.714 1.00 0.00 N ATOM 396 CA VAL A 26 -2.954 -5.088 -4.151 1.00 0.00 C ATOM 397 C VAL A 26 -1.527 -5.064 -4.701 1.00 0.00 C ATOM 398 O VAL A 26 -1.007 -4.002 -5.042 1.00 0.00 O ATOM 399 CB VAL A 26 -3.867 -4.051 -4.809 1.00 0.00 C ATOM 400 CG1 VAL A 26 -5.339 -4.428 -4.635 1.00 0.00 C ATOM 401 CG2 VAL A 26 -3.590 -2.650 -4.259 1.00 0.00 C ATOM 0 H VAL A 26 -2.585 -3.959 -2.425 1.00 0.00 H new ATOM 0 HA VAL A 26 -3.375 -6.066 -4.384 1.00 0.00 H new ATOM 0 HB VAL A 26 -3.648 -4.041 -5.877 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -5.966 -3.675 -5.112 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -5.523 -5.398 -5.096 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -5.578 -4.480 -3.573 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -4.252 -1.932 -4.743 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -3.767 -2.640 -3.184 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -2.553 -2.379 -4.458 1.00 0.00 H new ATOM 411 N SER A 27 -0.933 -6.246 -4.771 1.00 0.00 N ATOM 412 CA SER A 27 0.424 -6.373 -5.274 1.00 0.00 C ATOM 413 C SER A 27 0.406 -6.962 -6.686 1.00 0.00 C ATOM 414 O SER A 27 -0.430 -7.808 -6.999 1.00 0.00 O ATOM 415 CB SER A 27 1.276 -7.244 -4.347 1.00 0.00 C ATOM 416 OG SER A 27 0.486 -8.184 -3.624 1.00 0.00 O ATOM 0 H SER A 27 -1.367 -7.125 -4.488 1.00 0.00 H new ATOM 0 HA SER A 27 0.871 -5.379 -5.307 1.00 0.00 H new ATOM 0 HB2 SER A 27 2.024 -7.775 -4.935 1.00 0.00 H new ATOM 0 HB3 SER A 27 1.815 -6.607 -3.645 1.00 0.00 H new ATOM 0 HG SER A 27 1.062 -8.895 -3.275 1.00 0.00 H new ATOM 460 N HIS A 32 -1.706 -8.794 -13.994 1.00 0.00 N ATOM 461 CA HIS A 32 -1.788 -9.891 -13.045 1.00 0.00 C ATOM 462 C HIS A 32 -1.285 -9.426 -11.677 1.00 0.00 C ATOM 463 O HIS A 32 -0.096 -9.162 -11.506 1.00 0.00 O ATOM 464 CB HIS A 32 -1.036 -11.118 -13.567 1.00 0.00 C ATOM 465 CG HIS A 32 0.440 -11.113 -13.251 1.00 0.00 C ATOM 466 ND1 HIS A 32 1.345 -10.297 -13.907 1.00 0.00 N ATOM 467 CD2 HIS A 32 1.160 -11.833 -12.343 1.00 0.00 C ATOM 468 CE1 HIS A 32 2.551 -10.524 -13.409 1.00 0.00 C ATOM 469 NE2 HIS A 32 2.435 -11.477 -12.440 1.00 0.00 N ATOM 0 HA HIS A 32 -2.828 -10.196 -12.926 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -1.485 -12.015 -13.141 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -1.166 -11.179 -14.648 1.00 0.00 H new ATOM 0 HD2 HIS A 32 0.760 -12.568 -11.661 1.00 0.00 H new ATOM 0 HE1 HIS A 32 3.466 -10.039 -13.716 1.00 0.00 H new ATOM 0 HE2 HIS A 32 3.201 -11.854 -11.882 1.00 0.00 H new ATOM 477 N PHE A 33 -2.216 -9.340 -10.738 1.00 0.00 N ATOM 478 CA PHE A 33 -1.882 -8.911 -9.391 1.00 0.00 C ATOM 479 C PHE A 33 -2.681 -9.699 -8.351 1.00 0.00 C ATOM 480 O PHE A 33 -3.787 -10.159 -8.630 1.00 0.00 O ATOM 481 CB PHE A 33 -2.254 -7.430 -9.287 1.00 0.00 C ATOM 482 CG PHE A 33 -3.638 -7.096 -9.847 1.00 0.00 C ATOM 483 CD1 PHE A 33 -4.755 -7.494 -9.182 1.00 0.00 C ATOM 484 CD2 PHE A 33 -3.751 -6.401 -11.011 1.00 0.00 C ATOM 485 CE1 PHE A 33 -6.040 -7.184 -9.701 1.00 0.00 C ATOM 486 CE2 PHE A 33 -5.035 -6.090 -11.531 1.00 0.00 C ATOM 487 CZ PHE A 33 -6.153 -6.489 -10.865 1.00 0.00 C ATOM 0 H PHE A 33 -3.201 -9.560 -10.884 1.00 0.00 H new ATOM 0 HA PHE A 33 -0.822 -9.078 -9.200 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -2.214 -7.128 -8.240 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.507 -6.840 -9.817 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -4.665 -8.046 -8.258 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -2.864 -6.086 -11.540 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -6.927 -7.500 -9.172 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -5.125 -5.537 -12.454 1.00 0.00 H new ATOM 0 HZ PHE A 33 -7.130 -6.254 -11.261 1.00 0.00 H new ATOM 497 N GLN A 34 -2.090 -9.830 -7.172 1.00 0.00 N ATOM 498 CA GLN A 34 -2.732 -10.554 -6.089 1.00 0.00 C ATOM 499 C GLN A 34 -3.382 -9.576 -5.108 1.00 0.00 C ATOM 500 O GLN A 34 -2.734 -8.643 -4.636 1.00 0.00 O ATOM 501 CB GLN A 34 -1.736 -11.468 -5.373 1.00 0.00 C ATOM 502 CG GLN A 34 -2.409 -12.764 -4.918 1.00 0.00 C ATOM 503 CD GLN A 34 -3.728 -12.473 -4.198 1.00 0.00 C ATOM 504 OE1 GLN A 34 -4.810 -12.711 -4.711 1.00 0.00 O ATOM 505 NE2 GLN A 34 -3.578 -11.947 -2.986 1.00 0.00 N ATOM 0 H GLN A 34 -1.173 -9.446 -6.944 1.00 0.00 H new ATOM 0 HA GLN A 34 -3.513 -11.185 -6.514 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -0.906 -11.700 -6.040 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -1.317 -10.950 -4.511 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -2.595 -13.404 -5.781 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -1.741 -13.311 -4.253 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -2.643 -11.774 -2.617 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -4.398 -11.717 -2.425 1.00 0.00 H new ATOM 514 N VAL A 35 -4.653 -9.823 -4.830 1.00 0.00 N ATOM 515 CA VAL A 35 -5.397 -8.975 -3.914 1.00 0.00 C ATOM 516 C VAL A 35 -5.595 -9.715 -2.589 1.00 0.00 C ATOM 517 O VAL A 35 -6.528 -10.504 -2.447 1.00 0.00 O ATOM 518 CB VAL A 35 -6.715 -8.539 -4.557 1.00 0.00 C ATOM 519 CG1 VAL A 35 -7.453 -7.535 -3.670 1.00 0.00 C ATOM 520 CG2 VAL A 35 -6.479 -7.966 -5.956 1.00 0.00 C ATOM 0 H VAL A 35 -5.187 -10.598 -5.223 1.00 0.00 H new ATOM 0 HA VAL A 35 -4.839 -8.064 -3.699 1.00 0.00 H new ATOM 0 HB VAL A 35 -7.346 -9.422 -4.659 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -8.386 -7.242 -4.151 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -7.670 -7.993 -2.705 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -6.829 -6.654 -3.521 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -7.432 -7.664 -6.391 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -5.820 -7.100 -5.888 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -6.017 -8.725 -6.587 1.00 0.00 H new ATOM 530 N ILE A 36 -4.702 -9.432 -1.651 1.00 0.00 N ATOM 531 CA ILE A 36 -4.767 -10.060 -0.343 1.00 0.00 C ATOM 532 C ILE A 36 -5.662 -9.225 0.575 1.00 0.00 C ATOM 533 O ILE A 36 -5.498 -8.009 0.670 1.00 0.00 O ATOM 534 CB ILE A 36 -3.360 -10.289 0.212 1.00 0.00 C ATOM 535 CG1 ILE A 36 -3.006 -11.777 0.212 1.00 0.00 C ATOM 536 CG2 ILE A 36 -3.209 -9.664 1.600 1.00 0.00 C ATOM 537 CD1 ILE A 36 -1.506 -11.984 0.432 1.00 0.00 C ATOM 0 H ILE A 36 -3.930 -8.776 -1.772 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.220 -11.049 -0.417 1.00 0.00 H new ATOM 0 HB ILE A 36 -2.649 -9.789 -0.445 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.566 -12.288 0.995 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.303 -12.225 -0.736 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.200 -9.842 1.971 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -3.389 -8.591 1.537 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -3.931 -10.114 2.282 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.281 -13.051 0.428 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -0.950 -11.493 -0.367 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -1.217 -11.556 1.392 1.00 0.00 H new ATOM 549 N ALA A 37 -6.588 -9.910 1.229 1.00 0.00 N ATOM 550 CA ALA A 37 -7.509 -9.247 2.137 1.00 0.00 C ATOM 551 C ALA A 37 -6.955 -9.319 3.561 1.00 0.00 C ATOM 552 O ALA A 37 -6.990 -10.374 4.192 1.00 0.00 O ATOM 553 CB ALA A 37 -8.894 -9.886 2.017 1.00 0.00 C ATOM 0 H ALA A 37 -6.721 -10.918 1.148 1.00 0.00 H new ATOM 0 HA ALA A 37 -7.613 -8.194 1.877 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -9.584 -9.389 2.698 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -9.255 -9.782 0.994 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -8.830 -10.944 2.273 1.00 0.00 H new ATOM 559 N VAL A 38 -6.457 -8.182 4.026 1.00 0.00 N ATOM 560 CA VAL A 38 -5.897 -8.103 5.364 1.00 0.00 C ATOM 561 C VAL A 38 -7.030 -7.930 6.378 1.00 0.00 C ATOM 562 O VAL A 38 -8.033 -7.280 6.088 1.00 0.00 O ATOM 563 CB VAL A 38 -4.858 -6.981 5.431 1.00 0.00 C ATOM 564 CG1 VAL A 38 -4.251 -6.880 6.832 1.00 0.00 C ATOM 565 CG2 VAL A 38 -3.770 -7.178 4.374 1.00 0.00 C ATOM 0 H VAL A 38 -6.430 -7.309 3.500 1.00 0.00 H new ATOM 0 HA VAL A 38 -5.375 -9.027 5.615 1.00 0.00 H new ATOM 0 HB VAL A 38 -5.365 -6.040 5.217 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -3.516 -6.075 6.853 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -5.039 -6.671 7.556 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -3.765 -7.822 7.087 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.045 -6.367 4.443 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -3.267 -8.130 4.543 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.222 -7.177 3.382 1.00 0.00 H new ATOM 575 N GLY A 39 -6.832 -8.524 7.546 1.00 0.00 N ATOM 576 CA GLY A 39 -7.825 -8.443 8.604 1.00 0.00 C ATOM 577 C GLY A 39 -7.516 -9.440 9.722 1.00 0.00 C ATOM 578 O GLY A 39 -6.354 -9.764 9.967 1.00 0.00 O ATOM 0 H GLY A 39 -5.999 -9.063 7.783 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -7.848 -7.432 9.010 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -8.815 -8.645 8.195 1.00 0.00 H new ATOM 582 N GLU A 40 -8.575 -9.899 10.372 1.00 0.00 N ATOM 583 CA GLU A 40 -8.432 -10.852 11.459 1.00 0.00 C ATOM 584 C GLU A 40 -9.709 -11.682 11.610 1.00 0.00 C ATOM 585 O GLU A 40 -9.915 -12.330 12.635 1.00 0.00 O ATOM 586 CB GLU A 40 -8.082 -10.142 12.768 1.00 0.00 C ATOM 587 CG GLU A 40 -6.664 -10.496 13.221 1.00 0.00 C ATOM 588 CD GLU A 40 -6.475 -10.203 14.711 1.00 0.00 C ATOM 589 OE1 GLU A 40 -7.445 -10.262 15.482 1.00 0.00 O ATOM 590 OE2 GLU A 40 -5.269 -9.907 15.061 1.00 0.00 O ATOM 0 H GLU A 40 -9.537 -9.628 10.166 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.610 -11.527 11.218 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -8.167 -9.063 12.635 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -8.796 -10.425 13.542 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -6.469 -11.551 13.027 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -5.940 -9.925 12.640 1.00 0.00 H new ATOM 598 N LEU A 41 -10.532 -11.635 10.573 1.00 0.00 N ATOM 599 CA LEU A 41 -11.783 -12.374 10.577 1.00 0.00 C ATOM 600 C LEU A 41 -11.532 -13.796 10.070 1.00 0.00 C ATOM 601 O LEU A 41 -11.999 -14.764 10.669 1.00 0.00 O ATOM 602 CB LEU A 41 -12.854 -11.620 9.786 1.00 0.00 C ATOM 603 CG LEU A 41 -14.301 -12.044 10.043 1.00 0.00 C ATOM 604 CD1 LEU A 41 -14.592 -13.409 9.417 1.00 0.00 C ATOM 605 CD2 LEU A 41 -14.622 -12.019 11.539 1.00 0.00 C ATOM 0 H LEU A 41 -10.357 -11.097 9.724 1.00 0.00 H new ATOM 0 HA LEU A 41 -12.171 -12.460 11.592 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -12.762 -10.557 10.011 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -12.644 -11.740 8.723 1.00 0.00 H new ATOM 0 HG LEU A 41 -14.959 -11.322 9.560 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -15.627 -13.687 9.615 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -14.429 -13.358 8.340 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -13.927 -14.157 9.849 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -15.657 -12.325 11.694 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -13.958 -12.705 12.065 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -14.480 -11.009 11.925 1.00 0.00 H new ATOM 617 N PHE A 42 -10.796 -13.877 8.972 1.00 0.00 N ATOM 618 CA PHE A 42 -10.477 -15.164 8.378 1.00 0.00 C ATOM 619 C PHE A 42 -9.090 -15.641 8.815 1.00 0.00 C ATOM 620 O PHE A 42 -8.422 -16.370 8.083 1.00 0.00 O ATOM 621 CB PHE A 42 -10.481 -14.970 6.860 1.00 0.00 C ATOM 622 CG PHE A 42 -11.801 -14.430 6.306 1.00 0.00 C ATOM 623 CD1 PHE A 42 -12.978 -14.772 6.897 1.00 0.00 C ATOM 624 CD2 PHE A 42 -11.798 -13.608 5.223 1.00 0.00 C ATOM 625 CE1 PHE A 42 -14.203 -14.270 6.383 1.00 0.00 C ATOM 626 CE2 PHE A 42 -13.023 -13.107 4.708 1.00 0.00 C ATOM 627 CZ PHE A 42 -14.200 -13.449 5.299 1.00 0.00 C ATOM 0 H PHE A 42 -10.411 -13.072 8.478 1.00 0.00 H new ATOM 0 HA PHE A 42 -11.205 -15.910 8.695 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -9.678 -14.285 6.589 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -10.261 -15.924 6.381 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -12.981 -15.425 7.757 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -10.864 -13.336 4.754 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -15.137 -14.540 6.853 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -13.020 -12.455 3.847 1.00 0.00 H new ATOM 0 HZ PHE A 42 -15.132 -13.068 4.907 1.00 0.00 H new ATOM 637 N ASP A 43 -8.700 -15.212 10.006 1.00 0.00 N ATOM 638 CA ASP A 43 -7.405 -15.586 10.549 1.00 0.00 C ATOM 639 C ASP A 43 -7.501 -16.982 11.169 1.00 0.00 C ATOM 640 O ASP A 43 -7.373 -17.136 12.382 1.00 0.00 O ATOM 641 CB ASP A 43 -6.964 -14.612 11.643 1.00 0.00 C ATOM 642 CG ASP A 43 -7.853 -14.594 12.889 1.00 0.00 C ATOM 643 OD1 ASP A 43 -7.364 -14.459 14.020 1.00 0.00 O ATOM 644 OD2 ASP A 43 -9.115 -14.727 12.660 1.00 0.00 O ATOM 0 H ASP A 43 -9.258 -14.609 10.610 1.00 0.00 H new ATOM 0 HA ASP A 43 -6.680 -15.566 9.736 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -5.947 -14.863 11.944 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -6.933 -13.607 11.223 1.00 0.00 H new ATOM 650 N GLY A 44 -7.725 -17.963 10.307 1.00 0.00 N ATOM 651 CA GLY A 44 -7.840 -19.340 10.755 1.00 0.00 C ATOM 652 C GLY A 44 -8.731 -20.151 9.812 1.00 0.00 C ATOM 653 O GLY A 44 -8.663 -21.379 9.791 1.00 0.00 O ATOM 0 H GLY A 44 -7.830 -17.831 9.301 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -6.850 -19.794 10.806 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -8.254 -19.365 11.763 1.00 0.00 H new ATOM 657 N MET A 45 -9.546 -19.431 9.054 1.00 0.00 N ATOM 658 CA MET A 45 -10.449 -20.069 8.111 1.00 0.00 C ATOM 659 C MET A 45 -9.688 -21.002 7.168 1.00 0.00 C ATOM 660 O MET A 45 -8.461 -20.946 7.090 1.00 0.00 O ATOM 661 CB MET A 45 -11.174 -18.997 7.295 1.00 0.00 C ATOM 662 CG MET A 45 -12.666 -18.965 7.634 1.00 0.00 C ATOM 663 SD MET A 45 -12.965 -17.813 8.964 1.00 0.00 S ATOM 664 CE MET A 45 -14.653 -17.357 8.605 1.00 0.00 C ATOM 0 H MET A 45 -9.600 -18.413 9.074 1.00 0.00 H new ATOM 0 HA MET A 45 -11.171 -20.662 8.672 1.00 0.00 H new ATOM 0 HB2 MET A 45 -10.731 -18.021 7.495 1.00 0.00 H new ATOM 0 HB3 MET A 45 -11.043 -19.194 6.231 1.00 0.00 H new ATOM 0 HG2 MET A 45 -13.241 -18.675 6.755 1.00 0.00 H new ATOM 0 HG3 MET A 45 -13.004 -19.961 7.922 1.00 0.00 H new ATOM 0 HE1 MET A 45 -14.966 -16.560 9.279 1.00 0.00 H new ATOM 0 HE2 MET A 45 -14.725 -17.010 7.574 1.00 0.00 H new ATOM 0 HE3 MET A 45 -15.301 -18.223 8.742 1.00 0.00 H new ATOM 674 N SER A 46 -10.446 -21.838 6.474 1.00 0.00 N ATOM 675 CA SER A 46 -9.859 -22.781 5.539 1.00 0.00 C ATOM 676 C SER A 46 -9.601 -22.095 4.196 1.00 0.00 C ATOM 677 O SER A 46 -10.514 -21.528 3.599 1.00 0.00 O ATOM 678 CB SER A 46 -10.761 -24.002 5.347 1.00 0.00 C ATOM 679 OG SER A 46 -10.554 -24.626 4.083 1.00 0.00 O ATOM 0 H SER A 46 -11.463 -21.881 6.541 1.00 0.00 H new ATOM 0 HA SER A 46 -8.911 -23.126 5.952 1.00 0.00 H new ATOM 0 HB2 SER A 46 -10.570 -24.722 6.142 1.00 0.00 H new ATOM 0 HB3 SER A 46 -11.804 -23.699 5.435 1.00 0.00 H new ATOM 0 HG SER A 46 -11.147 -25.402 4.000 1.00 0.00 H new ATOM 685 N ARG A 47 -8.352 -22.170 3.760 1.00 0.00 N ATOM 686 CA ARG A 47 -7.962 -21.563 2.498 1.00 0.00 C ATOM 687 C ARG A 47 -9.089 -21.701 1.472 1.00 0.00 C ATOM 688 O ARG A 47 -9.294 -20.813 0.647 1.00 0.00 O ATOM 689 CB ARG A 47 -6.694 -22.214 1.942 1.00 0.00 C ATOM 690 CG ARG A 47 -6.198 -21.474 0.698 1.00 0.00 C ATOM 691 CD ARG A 47 -4.715 -21.756 0.448 1.00 0.00 C ATOM 692 NE ARG A 47 -4.564 -22.737 -0.649 1.00 0.00 N ATOM 693 CZ ARG A 47 -3.434 -23.434 -0.892 1.00 0.00 C ATOM 694 NH1 ARG A 47 -2.343 -23.262 -0.115 1.00 0.00 N ATOM 695 NH2 ARG A 47 -3.410 -24.285 -1.900 1.00 0.00 N ATOM 0 H ARG A 47 -7.597 -22.642 4.258 1.00 0.00 H new ATOM 0 HA ARG A 47 -7.763 -20.508 2.685 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -5.916 -22.212 2.705 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -6.895 -23.256 1.694 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -6.782 -21.782 -0.170 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -6.352 -20.402 0.822 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -4.198 -20.831 0.193 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -4.251 -22.140 1.357 1.00 0.00 H new ATOM 0 HE ARG A 47 -5.365 -22.897 -1.260 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -2.369 -22.602 0.662 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -1.493 -23.792 -0.305 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -4.238 -24.409 -2.483 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -2.564 -24.819 -2.096 1.00 0.00 H new ATOM 708 N VAL A 48 -9.791 -22.822 1.558 1.00 0.00 N ATOM 709 CA VAL A 48 -10.892 -23.087 0.648 1.00 0.00 C ATOM 710 C VAL A 48 -12.109 -22.264 1.074 1.00 0.00 C ATOM 711 O VAL A 48 -12.480 -21.304 0.400 1.00 0.00 O ATOM 712 CB VAL A 48 -11.175 -24.590 0.594 1.00 0.00 C ATOM 713 CG1 VAL A 48 -12.236 -24.910 -0.462 1.00 0.00 C ATOM 714 CG2 VAL A 48 -9.891 -25.381 0.338 1.00 0.00 C ATOM 0 H VAL A 48 -9.618 -23.557 2.244 1.00 0.00 H new ATOM 0 HA VAL A 48 -10.632 -22.782 -0.366 1.00 0.00 H new ATOM 0 HB VAL A 48 -11.566 -24.892 1.565 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -12.419 -25.984 -0.480 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -13.161 -24.389 -0.218 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -11.884 -24.585 -1.441 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -10.120 -26.446 0.304 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -9.457 -25.073 -0.613 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -9.179 -25.188 1.140 1.00 0.00 H new ATOM 724 N LYS A 49 -12.697 -22.670 2.189 1.00 0.00 N ATOM 725 CA LYS A 49 -13.865 -21.982 2.713 1.00 0.00 C ATOM 726 C LYS A 49 -13.679 -20.472 2.547 1.00 0.00 C ATOM 727 O LYS A 49 -14.651 -19.739 2.369 1.00 0.00 O ATOM 728 CB LYS A 49 -14.140 -22.413 4.155 1.00 0.00 C ATOM 729 CG LYS A 49 -15.595 -22.853 4.328 1.00 0.00 C ATOM 730 CD LYS A 49 -16.380 -21.838 5.161 1.00 0.00 C ATOM 731 CE LYS A 49 -17.845 -22.255 5.297 1.00 0.00 C ATOM 732 NZ LYS A 49 -18.091 -22.859 6.626 1.00 0.00 N ATOM 0 H LYS A 49 -12.387 -23.467 2.745 1.00 0.00 H new ATOM 0 HA LYS A 49 -14.755 -22.258 2.148 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -13.474 -23.232 4.427 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -13.923 -21.587 4.833 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -16.063 -22.966 3.350 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -15.628 -23.829 4.812 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -15.930 -21.749 6.150 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -16.320 -20.855 4.694 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -18.490 -21.387 5.160 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -18.100 -22.969 4.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -19.090 -23.136 6.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -17.489 -23.699 6.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -17.867 -22.167 7.369 1.00 0.00 H new ATOM 745 N LYS A 50 -12.425 -20.052 2.613 1.00 0.00 N ATOM 746 CA LYS A 50 -12.099 -18.643 2.472 1.00 0.00 C ATOM 747 C LYS A 50 -12.243 -18.234 1.005 1.00 0.00 C ATOM 748 O LYS A 50 -12.931 -17.264 0.692 1.00 0.00 O ATOM 749 CB LYS A 50 -10.716 -18.352 3.058 1.00 0.00 C ATOM 750 CG LYS A 50 -10.275 -16.922 2.740 1.00 0.00 C ATOM 751 CD LYS A 50 -8.791 -16.874 2.372 1.00 0.00 C ATOM 752 CE LYS A 50 -8.567 -17.352 0.936 1.00 0.00 C ATOM 753 NZ LYS A 50 -7.808 -18.622 0.924 1.00 0.00 N ATOM 0 H LYS A 50 -11.622 -20.663 2.762 1.00 0.00 H new ATOM 0 HA LYS A 50 -12.798 -18.032 3.044 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -10.737 -18.498 4.138 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -9.990 -19.058 2.655 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -10.870 -16.529 1.916 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -10.460 -16.281 3.602 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -8.418 -15.856 2.483 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -8.222 -17.499 3.060 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -9.527 -17.491 0.439 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -8.024 -16.592 0.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -7.240 -18.679 0.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -7.179 -18.658 1.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -8.471 -19.423 0.957 1.00 0.00 H new ATOM 766 N GLN A 51 -11.584 -18.996 0.144 1.00 0.00 N ATOM 767 CA GLN A 51 -11.631 -18.725 -1.283 1.00 0.00 C ATOM 768 C GLN A 51 -13.044 -18.955 -1.821 1.00 0.00 C ATOM 769 O GLN A 51 -13.381 -18.491 -2.909 1.00 0.00 O ATOM 770 CB GLN A 51 -10.611 -19.580 -2.037 1.00 0.00 C ATOM 771 CG GLN A 51 -9.232 -18.917 -2.038 1.00 0.00 C ATOM 772 CD GLN A 51 -8.743 -18.671 -3.467 1.00 0.00 C ATOM 773 OE1 GLN A 51 -8.952 -19.468 -4.367 1.00 0.00 O ATOM 774 NE2 GLN A 51 -8.082 -17.528 -3.624 1.00 0.00 N ATOM 0 H GLN A 51 -11.015 -19.801 0.407 1.00 0.00 H new ATOM 0 HA GLN A 51 -11.369 -17.679 -1.443 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -10.544 -20.565 -1.575 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -10.946 -19.732 -3.063 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -9.279 -17.971 -1.498 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -8.519 -19.551 -1.510 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -7.942 -16.906 -2.828 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -7.715 -17.273 -4.541 1.00 0.00 H new ATOM 783 N GLN A 52 -13.833 -19.671 -1.033 1.00 0.00 N ATOM 784 CA GLN A 52 -15.203 -19.968 -1.417 1.00 0.00 C ATOM 785 C GLN A 52 -16.122 -18.801 -1.050 1.00 0.00 C ATOM 786 O GLN A 52 -16.981 -18.410 -1.840 1.00 0.00 O ATOM 787 CB GLN A 52 -15.684 -21.269 -0.771 1.00 0.00 C ATOM 788 CG GLN A 52 -14.594 -22.342 -0.824 1.00 0.00 C ATOM 789 CD GLN A 52 -15.083 -23.582 -1.575 1.00 0.00 C ATOM 790 OE1 GLN A 52 -15.141 -23.619 -2.793 1.00 0.00 O ATOM 791 NE2 GLN A 52 -15.429 -24.593 -0.783 1.00 0.00 N ATOM 0 H GLN A 52 -13.550 -20.054 -0.131 1.00 0.00 H new ATOM 0 HA GLN A 52 -15.235 -20.104 -2.498 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -15.966 -21.082 0.265 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -16.577 -21.626 -1.285 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -13.707 -21.941 -1.315 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -14.300 -22.618 0.189 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -15.356 -24.496 0.230 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -15.767 -25.466 -1.188 1.00 0.00 H new ATOM 800 N THR A 53 -15.911 -18.277 0.148 1.00 0.00 N ATOM 801 CA THR A 53 -16.710 -17.163 0.630 1.00 0.00 C ATOM 802 C THR A 53 -16.168 -15.842 0.081 1.00 0.00 C ATOM 803 O THR A 53 -16.890 -14.848 0.020 1.00 0.00 O ATOM 804 CB THR A 53 -16.731 -17.223 2.158 1.00 0.00 C ATOM 805 OG1 THR A 53 -17.854 -16.423 2.521 1.00 0.00 O ATOM 806 CG2 THR A 53 -15.539 -16.501 2.790 1.00 0.00 C ATOM 0 H THR A 53 -15.198 -18.603 0.800 1.00 0.00 H new ATOM 0 HA THR A 53 -17.738 -17.230 0.274 1.00 0.00 H new ATOM 0 HB THR A 53 -16.736 -18.264 2.480 1.00 0.00 H new ATOM 0 HG1 THR A 53 -17.943 -16.408 3.497 1.00 0.00 H new ATOM 0 HG21 THR A 53 -15.603 -16.574 3.876 1.00 0.00 H new ATOM 0 HG22 THR A 53 -14.612 -16.962 2.449 1.00 0.00 H new ATOM 0 HG23 THR A 53 -15.552 -15.452 2.496 1.00 0.00 H new ATOM 814 N VAL A 54 -14.901 -15.874 -0.305 1.00 0.00 N ATOM 815 CA VAL A 54 -14.254 -14.691 -0.847 1.00 0.00 C ATOM 816 C VAL A 54 -14.513 -14.618 -2.353 1.00 0.00 C ATOM 817 O VAL A 54 -14.899 -13.571 -2.870 1.00 0.00 O ATOM 818 CB VAL A 54 -12.764 -14.702 -0.497 1.00 0.00 C ATOM 819 CG1 VAL A 54 -11.997 -13.676 -1.332 1.00 0.00 C ATOM 820 CG2 VAL A 54 -12.551 -14.462 0.999 1.00 0.00 C ATOM 0 H VAL A 54 -14.305 -16.700 -0.253 1.00 0.00 H new ATOM 0 HA VAL A 54 -14.673 -13.789 -0.401 1.00 0.00 H new ATOM 0 HB VAL A 54 -12.371 -15.690 -0.737 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -10.941 -13.705 -1.063 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -12.109 -13.912 -2.390 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -12.394 -12.679 -1.138 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -11.484 -14.475 1.221 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -12.968 -13.493 1.275 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -13.049 -15.247 1.568 1.00 0.00 H new ATOM 830 N TYR A 55 -14.290 -15.744 -3.015 1.00 0.00 N ATOM 831 CA TYR A 55 -14.495 -15.821 -4.451 1.00 0.00 C ATOM 832 C TYR A 55 -15.961 -16.109 -4.782 1.00 0.00 C ATOM 833 O TYR A 55 -16.411 -15.855 -5.898 1.00 0.00 O ATOM 834 CB TYR A 55 -13.635 -16.989 -4.938 1.00 0.00 C ATOM 835 CG TYR A 55 -13.205 -16.878 -6.402 1.00 0.00 C ATOM 836 CD1 TYR A 55 -12.154 -16.055 -6.751 1.00 0.00 C ATOM 837 CD2 TYR A 55 -13.868 -17.601 -7.373 1.00 0.00 C ATOM 838 CE1 TYR A 55 -11.748 -15.950 -8.129 1.00 0.00 C ATOM 839 CE2 TYR A 55 -13.463 -17.496 -8.751 1.00 0.00 C ATOM 840 CZ TYR A 55 -12.423 -16.676 -9.061 1.00 0.00 C ATOM 841 OH TYR A 55 -12.040 -16.577 -10.362 1.00 0.00 O ATOM 0 H TYR A 55 -13.969 -16.611 -2.583 1.00 0.00 H new ATOM 0 HA TYR A 55 -14.228 -14.878 -4.927 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -12.745 -17.057 -4.313 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -14.191 -17.917 -4.803 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -11.636 -15.489 -5.991 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -14.690 -18.245 -7.099 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -10.927 -15.310 -8.416 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -13.973 -18.056 -9.521 1.00 0.00 H new ATOM 0 HH TYR A 55 -12.610 -17.151 -10.915 1.00 0.00 H new ATOM 851 N GLY A 56 -16.665 -16.635 -3.791 1.00 0.00 N ATOM 852 CA GLY A 56 -18.071 -16.961 -3.962 1.00 0.00 C ATOM 853 C GLY A 56 -18.867 -15.733 -4.410 1.00 0.00 C ATOM 854 O GLY A 56 -19.577 -15.782 -5.413 1.00 0.00 O ATOM 0 H GLY A 56 -16.288 -16.844 -2.866 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -18.177 -17.757 -4.700 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -18.477 -17.340 -3.024 1.00 0.00 H new ATOM 858 N PRO A 57 -18.718 -14.633 -3.624 1.00 0.00 N ATOM 859 CA PRO A 57 -19.415 -13.395 -3.929 1.00 0.00 C ATOM 860 C PRO A 57 -18.765 -12.679 -5.115 1.00 0.00 C ATOM 861 O PRO A 57 -19.441 -12.339 -6.085 1.00 0.00 O ATOM 862 CB PRO A 57 -19.360 -12.586 -2.644 1.00 0.00 C ATOM 863 CG PRO A 57 -18.241 -13.195 -1.815 1.00 0.00 C ATOM 864 CD PRO A 57 -17.885 -14.539 -2.428 1.00 0.00 C ATOM 0 HA PRO A 57 -20.448 -13.558 -4.237 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -19.163 -11.534 -2.853 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -20.310 -12.633 -2.112 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -17.372 -12.538 -1.806 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -18.558 -13.320 -0.779 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -16.825 -14.592 -2.678 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -18.091 -15.356 -1.737 1.00 0.00 H new ATOM 872 N LEU A 58 -17.462 -12.470 -4.998 1.00 0.00 N ATOM 873 CA LEU A 58 -16.714 -11.800 -6.048 1.00 0.00 C ATOM 874 C LEU A 58 -16.285 -12.827 -7.098 1.00 0.00 C ATOM 875 O LEU A 58 -15.165 -12.774 -7.602 1.00 0.00 O ATOM 876 CB LEU A 58 -15.549 -11.007 -5.453 1.00 0.00 C ATOM 877 CG LEU A 58 -14.336 -11.827 -5.009 1.00 0.00 C ATOM 878 CD1 LEU A 58 -13.239 -11.804 -6.075 1.00 0.00 C ATOM 879 CD2 LEU A 58 -13.822 -11.353 -3.648 1.00 0.00 C ATOM 0 H LEU A 58 -16.905 -12.753 -4.192 1.00 0.00 H new ATOM 0 HA LEU A 58 -17.342 -11.068 -6.555 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -15.218 -10.277 -6.191 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -15.918 -10.447 -4.594 1.00 0.00 H new ATOM 0 HG LEU A 58 -14.650 -12.864 -4.891 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -12.388 -12.394 -5.734 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -13.625 -12.225 -7.003 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -12.921 -10.776 -6.248 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -12.960 -11.952 -3.356 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -13.530 -10.305 -3.714 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -14.610 -11.463 -2.903 1.00 0.00 H new ATOM 891 N MET A 59 -17.200 -13.739 -7.395 1.00 0.00 N ATOM 892 CA MET A 59 -16.931 -14.776 -8.376 1.00 0.00 C ATOM 893 C MET A 59 -17.234 -14.284 -9.793 1.00 0.00 C ATOM 894 O MET A 59 -16.484 -14.568 -10.726 1.00 0.00 O ATOM 895 CB MET A 59 -17.789 -16.005 -8.068 1.00 0.00 C ATOM 896 CG MET A 59 -16.954 -17.285 -8.124 1.00 0.00 C ATOM 897 SD MET A 59 -17.631 -18.404 -9.339 1.00 0.00 S ATOM 898 CE MET A 59 -19.227 -18.728 -8.607 1.00 0.00 C ATOM 0 H MET A 59 -18.128 -13.781 -6.973 1.00 0.00 H new ATOM 0 HA MET A 59 -15.874 -15.036 -8.321 1.00 0.00 H new ATOM 0 HB2 MET A 59 -18.237 -15.902 -7.080 1.00 0.00 H new ATOM 0 HB3 MET A 59 -18.608 -16.070 -8.784 1.00 0.00 H new ATOM 0 HG2 MET A 59 -15.921 -17.044 -8.375 1.00 0.00 H new ATOM 0 HG3 MET A 59 -16.941 -17.763 -7.145 1.00 0.00 H new ATOM 0 HE1 MET A 59 -19.572 -19.717 -8.910 1.00 0.00 H new ATOM 0 HE2 MET A 59 -19.144 -18.689 -7.521 1.00 0.00 H new ATOM 0 HE3 MET A 59 -19.941 -17.976 -8.943 1.00 0.00 H new ATOM 908 N GLU A 60 -18.333 -13.554 -9.909 1.00 0.00 N ATOM 909 CA GLU A 60 -18.744 -13.019 -11.196 1.00 0.00 C ATOM 910 C GLU A 60 -17.779 -11.921 -11.647 1.00 0.00 C ATOM 911 O GLU A 60 -17.134 -12.045 -12.687 1.00 0.00 O ATOM 912 CB GLU A 60 -20.181 -12.497 -11.139 1.00 0.00 C ATOM 913 CG GLU A 60 -21.186 -13.644 -11.255 1.00 0.00 C ATOM 914 CD GLU A 60 -22.414 -13.387 -10.379 1.00 0.00 C ATOM 915 OE1 GLU A 60 -22.608 -14.076 -9.366 1.00 0.00 O ATOM 916 OE2 GLU A 60 -23.182 -12.433 -10.783 1.00 0.00 O ATOM 0 H GLU A 60 -18.952 -13.320 -9.133 1.00 0.00 H new ATOM 0 HA GLU A 60 -18.714 -13.825 -11.929 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -20.341 -11.962 -10.203 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -20.344 -11.783 -11.946 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -21.494 -13.759 -12.294 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -20.712 -14.579 -10.958 1.00 0.00 H new ATOM 924 N TYR A 61 -17.710 -10.871 -10.842 1.00 0.00 N ATOM 925 CA TYR A 61 -16.834 -9.751 -11.145 1.00 0.00 C ATOM 926 C TYR A 61 -15.478 -10.240 -11.658 1.00 0.00 C ATOM 927 O TYR A 61 -14.949 -9.704 -12.630 1.00 0.00 O ATOM 928 CB TYR A 61 -16.629 -9.006 -9.825 1.00 0.00 C ATOM 929 CG TYR A 61 -15.630 -7.851 -9.910 1.00 0.00 C ATOM 930 CD1 TYR A 61 -15.837 -6.825 -10.809 1.00 0.00 C ATOM 931 CD2 TYR A 61 -14.521 -7.836 -9.089 1.00 0.00 C ATOM 932 CE1 TYR A 61 -14.896 -5.738 -10.890 1.00 0.00 C ATOM 933 CE2 TYR A 61 -13.580 -6.749 -9.169 1.00 0.00 C ATOM 934 CZ TYR A 61 -13.814 -5.754 -10.066 1.00 0.00 C ATOM 935 OH TYR A 61 -12.925 -4.727 -10.142 1.00 0.00 O ATOM 0 H TYR A 61 -18.246 -10.772 -9.980 1.00 0.00 H new ATOM 0 HA TYR A 61 -17.272 -9.119 -11.917 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -17.589 -8.618 -9.486 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -16.287 -9.714 -9.070 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -16.705 -6.837 -11.452 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -14.359 -8.640 -8.386 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -15.046 -4.929 -11.589 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -12.709 -6.724 -8.531 1.00 0.00 H new ATOM 0 HH TYR A 61 -12.203 -4.870 -9.495 1.00 0.00 H new ATOM 945 N ILE A 62 -14.954 -11.250 -10.980 1.00 0.00 N ATOM 946 CA ILE A 62 -13.670 -11.817 -11.354 1.00 0.00 C ATOM 947 C ILE A 62 -13.821 -12.591 -12.665 1.00 0.00 C ATOM 948 O ILE A 62 -12.936 -12.552 -13.519 1.00 0.00 O ATOM 949 CB ILE A 62 -13.099 -12.654 -10.208 1.00 0.00 C ATOM 950 CG1 ILE A 62 -12.255 -11.792 -9.267 1.00 0.00 C ATOM 951 CG2 ILE A 62 -12.315 -13.854 -10.743 1.00 0.00 C ATOM 952 CD1 ILE A 62 -12.887 -10.413 -9.071 1.00 0.00 C ATOM 0 H ILE A 62 -15.396 -11.691 -10.173 1.00 0.00 H new ATOM 0 HA ILE A 62 -12.942 -11.025 -11.533 1.00 0.00 H new ATOM 0 HB ILE A 62 -13.932 -13.047 -9.625 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -12.155 -12.291 -8.303 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -11.250 -11.681 -9.674 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -11.920 -14.432 -9.908 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -12.975 -14.483 -11.340 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -11.490 -13.503 -11.363 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -12.267 -9.821 -8.398 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -12.963 -9.907 -10.034 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -13.882 -10.527 -8.642 1.00 0.00 H new ATOM 964 N ALA A 63 -14.949 -13.276 -12.784 1.00 0.00 N ATOM 965 CA ALA A 63 -15.228 -14.058 -13.976 1.00 0.00 C ATOM 966 C ALA A 63 -15.106 -13.160 -15.209 1.00 0.00 C ATOM 967 O ALA A 63 -14.678 -13.612 -16.271 1.00 0.00 O ATOM 968 CB ALA A 63 -16.612 -14.698 -13.855 1.00 0.00 C ATOM 0 H ALA A 63 -15.681 -13.305 -12.074 1.00 0.00 H new ATOM 0 HA ALA A 63 -14.504 -14.866 -14.083 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -16.821 -15.285 -14.750 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -16.637 -15.348 -12.981 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -17.366 -13.918 -13.749 1.00 0.00 H new ATOM 974 N ASP A 64 -15.491 -11.905 -15.029 1.00 0.00 N ATOM 975 CA ASP A 64 -15.430 -10.940 -16.113 1.00 0.00 C ATOM 976 C ASP A 64 -14.021 -10.350 -16.187 1.00 0.00 C ATOM 977 O ASP A 64 -13.440 -10.252 -17.267 1.00 0.00 O ATOM 978 CB ASP A 64 -16.413 -9.790 -15.883 1.00 0.00 C ATOM 979 CG ASP A 64 -17.345 -9.491 -17.059 1.00 0.00 C ATOM 980 OD1 ASP A 64 -17.193 -10.053 -18.154 1.00 0.00 O ATOM 981 OD2 ASP A 64 -18.272 -8.628 -16.814 1.00 0.00 O ATOM 0 H ASP A 64 -15.847 -11.534 -14.148 1.00 0.00 H new ATOM 0 HA ASP A 64 -15.688 -11.456 -17.038 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -17.020 -10.020 -15.007 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -15.846 -8.889 -15.650 1.00 0.00 H new ATOM 987 N ASN A 65 -13.510 -9.972 -15.024 1.00 0.00 N ATOM 988 CA ASN A 65 -12.180 -9.394 -14.943 1.00 0.00 C ATOM 989 C ASN A 65 -11.163 -10.384 -15.515 1.00 0.00 C ATOM 990 O ASN A 65 -10.037 -10.007 -15.836 1.00 0.00 O ATOM 991 CB ASN A 65 -11.793 -9.103 -13.492 1.00 0.00 C ATOM 992 CG ASN A 65 -10.721 -8.014 -13.418 1.00 0.00 C ATOM 993 OD1 ASN A 65 -10.921 -6.947 -12.863 1.00 0.00 O ATOM 994 ND2 ASN A 65 -9.574 -8.342 -14.007 1.00 0.00 N ATOM 0 H ASN A 65 -13.994 -10.055 -14.130 1.00 0.00 H new ATOM 0 HA ASN A 65 -12.182 -8.462 -15.509 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -12.674 -8.789 -12.933 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -11.424 -10.014 -13.021 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -8.796 -7.682 -14.011 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -9.473 -9.253 -14.454 1.00 0.00 H new ATOM 1001 N ARG A 66 -11.596 -11.631 -15.624 1.00 0.00 N ATOM 1002 CA ARG A 66 -10.737 -12.678 -16.151 1.00 0.00 C ATOM 1003 C ARG A 66 -9.792 -12.106 -17.210 1.00 0.00 C ATOM 1004 O ARG A 66 -8.643 -12.533 -17.317 1.00 0.00 O ATOM 1005 CB ARG A 66 -11.563 -13.807 -16.771 1.00 0.00 C ATOM 1006 CG ARG A 66 -10.656 -14.902 -17.338 1.00 0.00 C ATOM 1007 CD ARG A 66 -11.265 -15.520 -18.598 1.00 0.00 C ATOM 1008 NE ARG A 66 -10.707 -16.873 -18.818 1.00 0.00 N ATOM 1009 CZ ARG A 66 -11.002 -17.947 -18.054 1.00 0.00 C ATOM 1010 NH1 ARG A 66 -11.853 -17.834 -17.012 1.00 0.00 N ATOM 1011 NH2 ARG A 66 -10.445 -19.109 -18.342 1.00 0.00 N ATOM 0 H ARG A 66 -12.530 -11.940 -15.356 1.00 0.00 H new ATOM 0 HA ARG A 66 -10.157 -13.081 -15.321 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -12.226 -14.233 -16.018 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -12.195 -13.407 -17.564 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -9.677 -14.484 -17.571 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -10.502 -15.677 -16.587 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -12.349 -15.576 -18.498 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -11.057 -14.887 -19.461 1.00 0.00 H new ATOM 0 HE ARG A 66 -10.059 -17.002 -19.595 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -12.279 -16.932 -16.797 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -12.070 -18.650 -16.440 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -9.803 -19.185 -19.131 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -10.657 -19.930 -17.775 1.00 0.00 H new ATOM 1024 N ILE A 67 -10.310 -11.149 -17.965 1.00 0.00 N ATOM 1025 CA ILE A 67 -9.527 -10.515 -19.012 1.00 0.00 C ATOM 1026 C ILE A 67 -8.088 -10.331 -18.525 1.00 0.00 C ATOM 1027 O ILE A 67 -7.151 -10.367 -19.320 1.00 0.00 O ATOM 1028 CB ILE A 67 -10.193 -9.215 -19.466 1.00 0.00 C ATOM 1029 CG1 ILE A 67 -10.459 -8.290 -18.277 1.00 0.00 C ATOM 1030 CG2 ILE A 67 -11.467 -9.502 -20.265 1.00 0.00 C ATOM 1031 CD1 ILE A 67 -10.881 -6.897 -18.749 1.00 0.00 C ATOM 0 H ILE A 67 -11.263 -10.797 -17.873 1.00 0.00 H new ATOM 0 HA ILE A 67 -9.487 -11.151 -19.896 1.00 0.00 H new ATOM 0 HB ILE A 67 -9.505 -8.693 -20.132 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -11.240 -8.717 -17.648 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -9.561 -8.213 -17.663 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -11.921 -8.561 -20.576 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -11.218 -10.094 -21.146 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -12.170 -10.056 -19.643 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -11.064 -6.260 -17.884 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -10.088 -6.463 -19.358 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -11.792 -6.974 -19.342 1.00 0.00 H new ATOM 1043 N HIS A 68 -7.959 -10.137 -17.221 1.00 0.00 N ATOM 1044 CA HIS A 68 -6.650 -9.947 -16.619 1.00 0.00 C ATOM 1045 C HIS A 68 -6.376 -11.073 -15.620 1.00 0.00 C ATOM 1046 O HIS A 68 -6.815 -12.205 -15.820 1.00 0.00 O ATOM 1047 CB HIS A 68 -6.538 -8.557 -15.990 1.00 0.00 C ATOM 1048 CG HIS A 68 -7.181 -7.460 -16.805 1.00 0.00 C ATOM 1049 ND1 HIS A 68 -7.974 -6.475 -16.242 1.00 0.00 N ATOM 1050 CD2 HIS A 68 -7.140 -7.204 -18.144 1.00 0.00 C ATOM 1051 CE1 HIS A 68 -8.387 -5.668 -17.208 1.00 0.00 C ATOM 1052 NE2 HIS A 68 -7.870 -6.122 -18.386 1.00 0.00 N ATOM 0 H HIS A 68 -8.739 -10.107 -16.564 1.00 0.00 H new ATOM 0 HA HIS A 68 -5.881 -9.997 -17.390 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -6.998 -8.579 -15.002 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -5.484 -8.318 -15.846 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -6.605 -7.783 -18.882 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -9.021 -4.803 -17.085 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -8.020 -5.699 -19.302 1.00 0.00 H new ATOM 1060 N ALA A 69 -5.652 -10.724 -14.567 1.00 0.00 N ATOM 1061 CA ALA A 69 -5.314 -11.691 -13.537 1.00 0.00 C ATOM 1062 C ALA A 69 -5.470 -11.040 -12.161 1.00 0.00 C ATOM 1063 O ALA A 69 -4.512 -10.491 -11.619 1.00 0.00 O ATOM 1064 CB ALA A 69 -3.898 -12.219 -13.776 1.00 0.00 C ATOM 0 H ALA A 69 -5.290 -9.784 -14.405 1.00 0.00 H new ATOM 0 HA ALA A 69 -5.990 -12.545 -13.576 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -3.645 -12.944 -13.003 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.849 -12.698 -14.754 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -3.190 -11.391 -13.742 1.00 0.00 H new ATOM 1070 N VAL A 70 -6.684 -11.123 -11.636 1.00 0.00 N ATOM 1071 CA VAL A 70 -6.977 -10.549 -10.334 1.00 0.00 C ATOM 1072 C VAL A 70 -7.249 -11.675 -9.334 1.00 0.00 C ATOM 1073 O VAL A 70 -8.313 -12.291 -9.363 1.00 0.00 O ATOM 1074 CB VAL A 70 -8.137 -9.558 -10.449 1.00 0.00 C ATOM 1075 CG1 VAL A 70 -9.065 -9.932 -11.606 1.00 0.00 C ATOM 1076 CG2 VAL A 70 -8.910 -9.465 -9.132 1.00 0.00 C ATOM 0 H VAL A 70 -7.476 -11.579 -12.089 1.00 0.00 H new ATOM 0 HA VAL A 70 -6.121 -9.986 -9.963 1.00 0.00 H new ATOM 0 HB VAL A 70 -7.718 -8.574 -10.661 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -9.881 -9.212 -11.666 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -8.504 -9.923 -12.540 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -9.473 -10.929 -11.438 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -9.729 -8.754 -9.240 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -9.312 -10.445 -8.876 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -8.241 -9.129 -8.340 1.00 0.00 H new ATOM 1086 N SER A 71 -6.269 -11.909 -8.474 1.00 0.00 N ATOM 1087 CA SER A 71 -6.389 -12.950 -7.468 1.00 0.00 C ATOM 1088 C SER A 71 -6.902 -12.352 -6.156 1.00 0.00 C ATOM 1089 O SER A 71 -6.736 -11.159 -5.906 1.00 0.00 O ATOM 1090 CB SER A 71 -5.050 -13.655 -7.242 1.00 0.00 C ATOM 1091 OG SER A 71 -4.738 -14.558 -8.299 1.00 0.00 O ATOM 0 H SER A 71 -5.388 -11.395 -8.453 1.00 0.00 H new ATOM 0 HA SER A 71 -7.103 -13.692 -7.826 1.00 0.00 H new ATOM 0 HB2 SER A 71 -4.258 -12.911 -7.155 1.00 0.00 H new ATOM 0 HB3 SER A 71 -5.081 -14.199 -6.298 1.00 0.00 H new ATOM 0 HG SER A 71 -3.875 -14.987 -8.119 1.00 0.00 H new ATOM 1097 N ILE A 72 -7.516 -13.209 -5.352 1.00 0.00 N ATOM 1098 CA ILE A 72 -8.054 -12.780 -4.073 1.00 0.00 C ATOM 1099 C ILE A 72 -7.753 -13.845 -3.016 1.00 0.00 C ATOM 1100 O ILE A 72 -8.231 -14.974 -3.113 1.00 0.00 O ATOM 1101 CB ILE A 72 -9.542 -12.446 -4.202 1.00 0.00 C ATOM 1102 CG1 ILE A 72 -9.936 -11.322 -3.242 1.00 0.00 C ATOM 1103 CG2 ILE A 72 -10.404 -13.695 -4.008 1.00 0.00 C ATOM 1104 CD1 ILE A 72 -9.562 -9.954 -3.816 1.00 0.00 C ATOM 0 H ILE A 72 -7.652 -14.198 -5.562 1.00 0.00 H new ATOM 0 HA ILE A 72 -7.571 -11.859 -3.746 1.00 0.00 H new ATOM 0 HB ILE A 72 -9.725 -12.084 -5.214 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -11.009 -11.360 -3.053 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -9.438 -11.467 -2.283 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -11.457 -13.429 -4.105 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -10.146 -14.436 -4.764 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -10.224 -14.111 -3.016 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -9.853 -9.173 -3.114 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -8.485 -9.911 -3.981 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -10.081 -9.802 -4.763 1.00 0.00 H new ATOM 1116 N LYS A 73 -6.962 -13.447 -2.030 1.00 0.00 N ATOM 1117 CA LYS A 73 -6.592 -14.353 -0.956 1.00 0.00 C ATOM 1118 C LYS A 73 -6.694 -13.618 0.382 1.00 0.00 C ATOM 1119 O LYS A 73 -5.888 -12.736 0.674 1.00 0.00 O ATOM 1120 CB LYS A 73 -5.213 -14.961 -1.220 1.00 0.00 C ATOM 1121 CG LYS A 73 -5.219 -15.799 -2.500 1.00 0.00 C ATOM 1122 CD LYS A 73 -4.687 -17.209 -2.235 1.00 0.00 C ATOM 1123 CE LYS A 73 -4.479 -17.971 -3.545 1.00 0.00 C ATOM 1124 NZ LYS A 73 -5.003 -19.351 -3.431 1.00 0.00 N ATOM 0 H LYS A 73 -6.567 -12.510 -1.953 1.00 0.00 H new ATOM 0 HA LYS A 73 -7.283 -15.195 -0.912 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -4.472 -14.167 -1.305 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -4.918 -15.583 -0.375 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -6.233 -15.857 -2.896 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -4.608 -15.313 -3.260 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -3.744 -17.150 -1.691 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -5.387 -17.753 -1.601 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -4.983 -17.450 -4.359 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -3.418 -17.998 -3.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -4.854 -19.854 -4.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -4.504 -19.850 -2.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -6.020 -19.320 -3.217 1.00 0.00 H new ATOM 1137 N ALA A 74 -7.692 -14.010 1.161 1.00 0.00 N ATOM 1138 CA ALA A 74 -7.910 -13.400 2.462 1.00 0.00 C ATOM 1139 C ALA A 74 -6.857 -13.916 3.445 1.00 0.00 C ATOM 1140 O ALA A 74 -6.865 -15.091 3.809 1.00 0.00 O ATOM 1141 CB ALA A 74 -9.337 -13.692 2.930 1.00 0.00 C ATOM 0 H ALA A 74 -8.358 -14.742 0.916 1.00 0.00 H new ATOM 0 HA ALA A 74 -7.802 -12.317 2.401 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -9.501 -13.235 3.906 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -10.047 -13.280 2.213 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -9.482 -14.770 3.006 1.00 0.00 H new ATOM 1147 N TYR A 75 -5.976 -13.012 3.848 1.00 0.00 N ATOM 1148 CA TYR A 75 -4.919 -13.361 4.782 1.00 0.00 C ATOM 1149 C TYR A 75 -4.609 -12.193 5.720 1.00 0.00 C ATOM 1150 O TYR A 75 -5.249 -11.145 5.645 1.00 0.00 O ATOM 1151 CB TYR A 75 -3.683 -13.656 3.929 1.00 0.00 C ATOM 1152 CG TYR A 75 -3.754 -14.981 3.168 1.00 0.00 C ATOM 1153 CD1 TYR A 75 -4.318 -16.090 3.766 1.00 0.00 C ATOM 1154 CD2 TYR A 75 -3.254 -15.068 1.885 1.00 0.00 C ATOM 1155 CE1 TYR A 75 -4.385 -17.338 3.050 1.00 0.00 C ATOM 1156 CE2 TYR A 75 -3.321 -16.316 1.170 1.00 0.00 C ATOM 1157 CZ TYR A 75 -3.883 -17.389 1.787 1.00 0.00 C ATOM 1158 OH TYR A 75 -3.946 -18.568 1.111 1.00 0.00 O ATOM 0 H TYR A 75 -5.973 -12.038 3.545 1.00 0.00 H new ATOM 0 HA TYR A 75 -5.215 -14.211 5.397 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -3.546 -12.845 3.214 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -2.804 -13.665 4.573 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -4.709 -16.022 4.770 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -2.813 -14.200 1.417 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -4.824 -18.213 3.506 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -2.933 -16.398 0.165 1.00 0.00 H new ATOM 0 HH TYR A 75 -3.551 -18.456 0.221 1.00 0.00 H new ATOM 1168 N THR A 76 -3.628 -12.413 6.583 1.00 0.00 N ATOM 1169 CA THR A 76 -3.226 -11.392 7.535 1.00 0.00 C ATOM 1170 C THR A 76 -2.153 -10.487 6.926 1.00 0.00 C ATOM 1171 O THR A 76 -1.797 -10.640 5.758 1.00 0.00 O ATOM 1172 CB THR A 76 -2.773 -12.093 8.817 1.00 0.00 C ATOM 1173 OG1 THR A 76 -1.374 -12.289 8.630 1.00 0.00 O ATOM 1174 CG2 THR A 76 -3.335 -13.511 8.939 1.00 0.00 C ATOM 0 H THR A 76 -3.100 -13.284 6.643 1.00 0.00 H new ATOM 0 HA THR A 76 -4.059 -10.734 7.784 1.00 0.00 H new ATOM 0 HB THR A 76 -3.082 -11.505 9.681 1.00 0.00 H new ATOM 0 HG1 THR A 76 -0.998 -12.737 9.417 1.00 0.00 H new ATOM 0 HG21 THR A 76 -2.983 -13.963 9.866 1.00 0.00 H new ATOM 0 HG22 THR A 76 -4.424 -13.471 8.945 1.00 0.00 H new ATOM 0 HG23 THR A 76 -2.999 -14.110 8.093 1.00 0.00 H new ATOM 1182 N PRO A 77 -1.653 -9.541 7.765 1.00 0.00 N ATOM 1183 CA PRO A 77 -0.628 -8.612 7.322 1.00 0.00 C ATOM 1184 C PRO A 77 0.735 -9.302 7.233 1.00 0.00 C ATOM 1185 O PRO A 77 1.506 -9.044 6.309 1.00 0.00 O ATOM 1186 CB PRO A 77 -0.656 -7.481 8.336 1.00 0.00 C ATOM 1187 CG PRO A 77 -1.366 -8.037 9.560 1.00 0.00 C ATOM 1188 CD PRO A 77 -2.051 -9.332 9.155 1.00 0.00 C ATOM 0 HA PRO A 77 -0.811 -8.232 6.317 1.00 0.00 H new ATOM 0 HB2 PRO A 77 0.354 -7.154 8.585 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -1.183 -6.613 7.939 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -0.654 -8.218 10.365 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -2.096 -7.320 9.936 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -1.735 -10.162 9.787 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -3.134 -9.254 9.250 1.00 0.00 H new ATOM 1196 N ALA A 78 0.991 -10.165 8.205 1.00 0.00 N ATOM 1197 CA ALA A 78 2.247 -10.893 8.248 1.00 0.00 C ATOM 1198 C ALA A 78 2.164 -12.100 7.311 1.00 0.00 C ATOM 1199 O ALA A 78 3.188 -12.609 6.857 1.00 0.00 O ATOM 1200 CB ALA A 78 2.555 -11.296 9.692 1.00 0.00 C ATOM 0 H ALA A 78 0.349 -10.376 8.969 1.00 0.00 H new ATOM 0 HA ALA A 78 3.067 -10.263 7.903 1.00 0.00 H new ATOM 0 HB1 ALA A 78 3.498 -11.842 9.724 1.00 0.00 H new ATOM 0 HB2 ALA A 78 2.633 -10.402 10.311 1.00 0.00 H new ATOM 0 HB3 ALA A 78 1.754 -11.931 10.071 1.00 0.00 H new ATOM 1206 N GLU A 79 0.936 -12.523 7.050 1.00 0.00 N ATOM 1207 CA GLU A 79 0.707 -13.660 6.176 1.00 0.00 C ATOM 1208 C GLU A 79 1.252 -13.372 4.775 1.00 0.00 C ATOM 1209 O GLU A 79 1.630 -14.291 4.051 1.00 0.00 O ATOM 1210 CB GLU A 79 -0.780 -14.020 6.122 1.00 0.00 C ATOM 1211 CG GLU A 79 -1.014 -15.256 5.252 1.00 0.00 C ATOM 1212 CD GLU A 79 -2.075 -16.169 5.870 1.00 0.00 C ATOM 1213 OE1 GLU A 79 -1.951 -17.401 5.797 1.00 0.00 O ATOM 1214 OE2 GLU A 79 -3.054 -15.556 6.444 1.00 0.00 O ATOM 0 H GLU A 79 0.089 -12.099 7.429 1.00 0.00 H new ATOM 0 HA GLU A 79 1.241 -14.519 6.583 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -1.150 -14.206 7.130 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -1.347 -13.178 5.724 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -1.330 -14.949 4.255 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -0.080 -15.805 5.135 1.00 0.00 H new ATOM 1222 N TRP A 80 1.274 -12.091 4.436 1.00 0.00 N ATOM 1223 CA TRP A 80 1.767 -11.670 3.136 1.00 0.00 C ATOM 1224 C TRP A 80 3.265 -11.976 3.076 1.00 0.00 C ATOM 1225 O TRP A 80 3.683 -12.922 2.409 1.00 0.00 O ATOM 1226 CB TRP A 80 1.447 -10.197 2.879 1.00 0.00 C ATOM 1227 CG TRP A 80 0.837 -9.923 1.503 1.00 0.00 C ATOM 1228 CD1 TRP A 80 -0.037 -8.965 1.163 1.00 0.00 C ATOM 1229 CD2 TRP A 80 1.092 -10.658 0.287 1.00 0.00 C ATOM 1230 NE1 TRP A 80 -0.362 -9.029 -0.176 1.00 0.00 N ATOM 1231 CE2 TRP A 80 0.346 -10.091 -0.726 1.00 0.00 C ATOM 1232 CE3 TRP A 80 1.925 -11.766 0.052 1.00 0.00 C ATOM 1233 CZ2 TRP A 80 0.359 -10.564 -2.044 1.00 0.00 C ATOM 1234 CZ3 TRP A 80 1.927 -12.226 -1.270 1.00 0.00 C ATOM 1235 CH2 TRP A 80 1.182 -11.666 -2.302 1.00 0.00 C ATOM 0 H TRP A 80 0.958 -11.331 5.039 1.00 0.00 H new ATOM 0 HA TRP A 80 1.268 -12.219 2.338 1.00 0.00 H new ATOM 0 HB2 TRP A 80 0.757 -9.846 3.647 1.00 0.00 H new ATOM 0 HB3 TRP A 80 2.362 -9.614 2.982 1.00 0.00 H new ATOM 0 HD1 TRP A 80 -0.437 -8.235 1.851 1.00 0.00 H new ATOM 0 HE1 TRP A 80 -1.004 -8.410 -0.672 1.00 0.00 H new ATOM 0 HE3 TRP A 80 2.516 -12.226 0.830 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -0.234 -10.103 -2.820 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 2.551 -13.076 -1.505 1.00 0.00 H new ATOM 0 HH2 TRP A 80 1.238 -12.080 -3.298 1.00 0.00 H new ATOM 1246 N ALA A 81 4.032 -11.158 3.781 1.00 0.00 N ATOM 1247 CA ALA A 81 5.474 -11.329 3.816 1.00 0.00 C ATOM 1248 C ALA A 81 5.806 -12.822 3.832 1.00 0.00 C ATOM 1249 O ALA A 81 6.588 -13.296 3.009 1.00 0.00 O ATOM 1250 CB ALA A 81 6.046 -10.592 5.029 1.00 0.00 C ATOM 0 H ALA A 81 3.682 -10.375 4.333 1.00 0.00 H new ATOM 0 HA ALA A 81 5.933 -10.899 2.926 1.00 0.00 H new ATOM 0 HB1 ALA A 81 7.128 -10.720 5.056 1.00 0.00 H new ATOM 0 HB2 ALA A 81 5.808 -9.531 4.956 1.00 0.00 H new ATOM 0 HB3 ALA A 81 5.610 -10.999 5.941 1.00 0.00 H new ATOM 1256 N ARG A 82 5.195 -13.522 4.776 1.00 0.00 N ATOM 1257 CA ARG A 82 5.416 -14.952 4.909 1.00 0.00 C ATOM 1258 C ARG A 82 4.978 -15.678 3.636 1.00 0.00 C ATOM 1259 O ARG A 82 5.661 -16.588 3.169 1.00 0.00 O ATOM 1260 CB ARG A 82 4.645 -15.520 6.103 1.00 0.00 C ATOM 1261 CG ARG A 82 4.903 -17.020 6.258 1.00 0.00 C ATOM 1262 CD ARG A 82 3.587 -17.795 6.352 1.00 0.00 C ATOM 1263 NE ARG A 82 2.985 -17.611 7.692 1.00 0.00 N ATOM 1264 CZ ARG A 82 1.999 -18.385 8.191 1.00 0.00 C ATOM 1265 NH1 ARG A 82 1.493 -19.405 7.464 1.00 0.00 N ATOM 1266 NH2 ARG A 82 1.536 -18.131 9.401 1.00 0.00 N ATOM 0 H ARG A 82 4.547 -13.126 5.456 1.00 0.00 H new ATOM 0 HA ARG A 82 6.482 -15.109 5.072 1.00 0.00 H new ATOM 0 HB2 ARG A 82 4.943 -15.000 7.014 1.00 0.00 H new ATOM 0 HB3 ARG A 82 3.578 -15.343 5.969 1.00 0.00 H new ATOM 0 HG2 ARG A 82 5.483 -17.383 5.409 1.00 0.00 H new ATOM 0 HG3 ARG A 82 5.500 -17.200 7.152 1.00 0.00 H new ATOM 0 HD2 ARG A 82 2.896 -17.449 5.583 1.00 0.00 H new ATOM 0 HD3 ARG A 82 3.765 -18.854 6.167 1.00 0.00 H new ATOM 0 HE ARG A 82 3.338 -16.852 8.274 1.00 0.00 H new ATOM 0 HH11 ARG A 82 1.856 -19.595 6.530 1.00 0.00 H new ATOM 0 HH12 ARG A 82 0.748 -19.985 7.849 1.00 0.00 H new ATOM 0 HH21 ARG A 82 1.924 -17.359 9.944 1.00 0.00 H new ATOM 0 HH22 ARG A 82 0.791 -18.707 9.793 1.00 0.00 H new ATOM 1279 N ASP A 83 3.840 -15.247 3.110 1.00 0.00 N ATOM 1280 CA ASP A 83 3.303 -15.845 1.899 1.00 0.00 C ATOM 1281 C ASP A 83 4.293 -15.640 0.751 1.00 0.00 C ATOM 1282 O ASP A 83 4.604 -16.579 0.020 1.00 0.00 O ATOM 1283 CB ASP A 83 1.978 -15.190 1.503 1.00 0.00 C ATOM 1284 CG ASP A 83 0.724 -15.923 1.985 1.00 0.00 C ATOM 1285 OD1 ASP A 83 0.644 -16.358 3.144 1.00 0.00 O ATOM 1286 OD2 ASP A 83 -0.209 -16.044 1.103 1.00 0.00 O ATOM 0 H ASP A 83 3.276 -14.492 3.500 1.00 0.00 H new ATOM 0 HA ASP A 83 3.139 -16.905 2.091 1.00 0.00 H new ATOM 0 HB2 ASP A 83 1.960 -14.174 1.897 1.00 0.00 H new ATOM 0 HB3 ASP A 83 1.939 -15.111 0.417 1.00 0.00 H new ATOM 1292 N ARG A 84 4.761 -14.407 0.629 1.00 0.00 N ATOM 1293 CA ARG A 84 5.710 -14.067 -0.418 1.00 0.00 C ATOM 1294 C ARG A 84 7.065 -14.719 -0.138 1.00 0.00 C ATOM 1295 O ARG A 84 7.832 -14.987 -1.062 1.00 0.00 O ATOM 1296 CB ARG A 84 5.893 -12.551 -0.525 1.00 0.00 C ATOM 1297 CG ARG A 84 5.886 -12.100 -1.986 1.00 0.00 C ATOM 1298 CD ARG A 84 4.860 -10.988 -2.212 1.00 0.00 C ATOM 1299 NE ARG A 84 5.467 -9.891 -2.999 1.00 0.00 N ATOM 1300 CZ ARG A 84 6.562 -9.201 -2.616 1.00 0.00 C ATOM 1301 NH1 ARG A 84 7.181 -9.489 -1.452 1.00 0.00 N ATOM 1302 NH2 ARG A 84 7.019 -8.240 -3.398 1.00 0.00 N ATOM 0 H ARG A 84 4.501 -13.631 1.238 1.00 0.00 H new ATOM 0 HA ARG A 84 5.311 -14.441 -1.361 1.00 0.00 H new ATOM 0 HB2 ARG A 84 5.095 -12.046 0.019 1.00 0.00 H new ATOM 0 HB3 ARG A 84 6.833 -12.261 -0.055 1.00 0.00 H new ATOM 0 HG2 ARG A 84 6.878 -11.746 -2.266 1.00 0.00 H new ATOM 0 HG3 ARG A 84 5.656 -12.948 -2.631 1.00 0.00 H new ATOM 0 HD2 ARG A 84 3.991 -11.385 -2.736 1.00 0.00 H new ATOM 0 HD3 ARG A 84 4.507 -10.607 -1.254 1.00 0.00 H new ATOM 0 HE ARG A 84 5.030 -9.641 -3.886 1.00 0.00 H new ATOM 0 HH11 ARG A 84 6.822 -10.233 -0.854 1.00 0.00 H new ATOM 0 HH12 ARG A 84 8.008 -8.963 -1.170 1.00 0.00 H new ATOM 0 HH21 ARG A 84 6.546 -8.029 -4.276 1.00 0.00 H new ATOM 0 HH22 ARG A 84 7.845 -7.709 -3.124 1.00 0.00 H new ATOM 1315 N LYS A 85 7.320 -14.955 1.141 1.00 0.00 N ATOM 1316 CA LYS A 85 8.569 -15.570 1.554 1.00 0.00 C ATOM 1317 C LYS A 85 8.433 -17.092 1.477 1.00 0.00 C ATOM 1318 O LYS A 85 9.431 -17.810 1.496 1.00 0.00 O ATOM 1319 CB LYS A 85 8.988 -15.059 2.934 1.00 0.00 C ATOM 1320 CG LYS A 85 9.969 -13.891 2.811 1.00 0.00 C ATOM 1321 CD LYS A 85 9.367 -12.607 3.386 1.00 0.00 C ATOM 1322 CE LYS A 85 8.949 -11.649 2.269 1.00 0.00 C ATOM 1323 NZ LYS A 85 10.136 -10.989 1.681 1.00 0.00 N ATOM 0 H LYS A 85 6.682 -14.731 1.905 1.00 0.00 H new ATOM 0 HA LYS A 85 9.375 -15.287 0.877 1.00 0.00 H new ATOM 0 HB2 LYS A 85 8.107 -14.741 3.491 1.00 0.00 H new ATOM 0 HB3 LYS A 85 9.449 -15.868 3.501 1.00 0.00 H new ATOM 0 HG2 LYS A 85 10.893 -14.131 3.337 1.00 0.00 H new ATOM 0 HG3 LYS A 85 10.228 -13.738 1.763 1.00 0.00 H new ATOM 0 HD2 LYS A 85 8.502 -12.851 4.003 1.00 0.00 H new ATOM 0 HD3 LYS A 85 10.094 -12.119 4.035 1.00 0.00 H new ATOM 0 HE2 LYS A 85 8.409 -12.196 1.496 1.00 0.00 H new ATOM 0 HE3 LYS A 85 8.266 -10.897 2.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 9.830 -10.281 0.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 10.681 -10.521 2.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 10.732 -11.701 1.212 1.00 0.00 H new ATOM 1336 N LEU A 86 7.188 -17.539 1.393 1.00 0.00 N ATOM 1337 CA LEU A 86 6.909 -18.963 1.313 1.00 0.00 C ATOM 1338 C LEU A 86 7.355 -19.491 -0.052 1.00 0.00 C ATOM 1339 O LEU A 86 8.162 -18.859 -0.732 1.00 0.00 O ATOM 1340 CB LEU A 86 5.437 -19.238 1.627 1.00 0.00 C ATOM 1341 CG LEU A 86 5.153 -19.923 2.966 1.00 0.00 C ATOM 1342 CD1 LEU A 86 3.706 -20.416 3.034 1.00 0.00 C ATOM 1343 CD2 LEU A 86 6.155 -21.050 3.228 1.00 0.00 C ATOM 0 H LEU A 86 6.362 -16.941 1.379 1.00 0.00 H new ATOM 0 HA LEU A 86 7.480 -19.506 2.067 1.00 0.00 H new ATOM 0 HB2 LEU A 86 4.898 -18.291 1.605 1.00 0.00 H new ATOM 0 HB3 LEU A 86 5.026 -19.858 0.830 1.00 0.00 H new ATOM 0 HG LEU A 86 5.280 -19.187 3.760 1.00 0.00 H new ATOM 0 HD11 LEU A 86 3.531 -20.899 3.995 1.00 0.00 H new ATOM 0 HD12 LEU A 86 3.028 -19.570 2.924 1.00 0.00 H new ATOM 0 HD13 LEU A 86 3.527 -21.131 2.231 1.00 0.00 H new ATOM 0 HD21 LEU A 86 5.931 -21.520 4.185 1.00 0.00 H new ATOM 0 HD22 LEU A 86 6.083 -21.793 2.433 1.00 0.00 H new ATOM 0 HD23 LEU A 86 7.165 -20.641 3.252 1.00 0.00 H new