USER MOD reduce.3.24.130724 H: found=0, std=0, add=905, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 906 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 27 MET CE :methyl 157:sc= -1.32 (180deg=-2.41!) USER MOD Set 1.2: A 119 TYR OH : rot 62:sc= 0.886 USER MOD Set 2.1: A 90 THR OG1 : rot 115:sc= -0.523 USER MOD Set 2.2: A 92 THR OG1 : rot 30:sc= 0.162 USER MOD Set 2.3: A 96 GLN : amide:sc= -5.73! C(o=-6.1!,f=-13!) USER MOD Set 3.1: A 60 SER OG : rot 47:sc= 1.65 USER MOD Set 3.2: A 62 TYR OH : rot -74:sc= 0.879 USER MOD Set 4.1: A 18 MET CE :methyl 177:sc= -2.05 (180deg=-1.38) USER MOD Set 4.2: A 39 MET CE :methyl 140:sc= -0.88 (180deg=-2.73!) USER MOD Set 5.1: A 28 THR OG1 : rot -107:sc= -0.235 USER MOD Set 5.2: A 30 SER OG : rot 180:sc=0.000449 USER MOD Single : A 13 GLN : amide:sc= -0.0361 X(o=-0.036,f=0) USER MOD Single : A 19 HIS : no HD1:sc= -1.29 K(o=-1.3,f=-2.6!) USER MOD Single : A 20 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 29 MET CE :methyl 144:sc= -3.43 (180deg=-4.92!) USER MOD Single : A 36 CYS SG : rot -40:sc= -3.02! USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=-0.043) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 HIS : no HE2:sc= 0.0322 K(o=0.032,f=-1.4) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -0.503 K(o=-0.5,f=-2!) USER MOD Single : A 83 MET CE :methyl 146:sc=-0.00228 (180deg=-0.813) USER MOD Single : A 85 ASN : amide:sc= 0.00466 K(o=0.0047,f=-1.7!) USER MOD Single : A 86 SER OG : rot -144:sc= -2.27 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 MET CE :methyl -134:sc= -0.32 (180deg=-3.56!) USER MOD Single : A 99 HIS : no HD1:sc= -0.0346 X(o=-0.035,f=-0.21) USER MOD Single : A 104 THR OG1 : rot 180:sc= 0.558 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 CYS SG : rot 97:sc= -0.585 USER MOD Single : A 110 GLN : amide:sc=-0.00345 K(o=-0.0034,f=-0.83) USER MOD Single : A 113 CYS SG : rot -66:sc= 0.369 USER MOD Single : A 116 GLN :FLIP amide:sc= -0.742 F(o=-1.8!,f=-0.74) USER MOD Single : A 117 GLN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 124 ASN :FLIP amide:sc= -5.54! C(o=-6.6!,f=-5.5!) USER MOD Single : A 125 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 102 N ILE A 11 15.414 -9.502 0.844 1.00 0.00 N ATOM 103 CA ILE A 11 15.455 -8.374 -0.078 1.00 0.00 C ATOM 104 C ILE A 11 15.858 -8.823 -1.479 1.00 0.00 C ATOM 105 O ILE A 11 15.182 -8.511 -2.459 1.00 0.00 O ATOM 106 CB ILE A 11 16.436 -7.289 0.403 1.00 0.00 C ATOM 107 CG1 ILE A 11 16.038 -6.793 1.795 1.00 0.00 C ATOM 108 CG2 ILE A 11 16.474 -6.133 -0.586 1.00 0.00 C ATOM 109 CD1 ILE A 11 17.157 -6.084 2.526 1.00 0.00 C ATOM 0 HA ILE A 11 14.449 -7.955 -0.109 1.00 0.00 H new ATOM 0 HB ILE A 11 17.434 -7.723 0.463 1.00 0.00 H new ATOM 0 HG12 ILE A 11 15.189 -6.116 1.702 1.00 0.00 H new ATOM 0 HG13 ILE A 11 15.705 -7.641 2.393 1.00 0.00 H new ATOM 0 HG21 ILE A 11 17.172 -5.374 -0.232 1.00 0.00 H new ATOM 0 HG22 ILE A 11 16.799 -6.498 -1.560 1.00 0.00 H new ATOM 0 HG23 ILE A 11 15.479 -5.697 -0.675 1.00 0.00 H new ATOM 0 HD11 ILE A 11 16.804 -5.760 3.505 1.00 0.00 H new ATOM 0 HD12 ILE A 11 17.999 -6.765 2.651 1.00 0.00 H new ATOM 0 HD13 ILE A 11 17.475 -5.216 1.949 1.00 0.00 H new ATOM 121 N GLU A 12 16.962 -9.558 -1.564 1.00 0.00 N ATOM 122 CA GLU A 12 17.454 -10.050 -2.845 1.00 0.00 C ATOM 123 C GLU A 12 16.358 -10.800 -3.597 1.00 0.00 C ATOM 124 O GLU A 12 16.331 -10.809 -4.827 1.00 0.00 O ATOM 125 CB GLU A 12 18.662 -10.966 -2.635 1.00 0.00 C ATOM 126 CG GLU A 12 19.942 -10.219 -2.302 1.00 0.00 C ATOM 127 CD GLU A 12 21.186 -10.972 -2.733 1.00 0.00 C ATOM 128 OE1 GLU A 12 21.433 -12.069 -2.190 1.00 0.00 O ATOM 129 OE2 GLU A 12 21.912 -10.464 -3.613 1.00 0.00 O ATOM 0 H GLU A 12 17.532 -9.826 -0.762 1.00 0.00 H new ATOM 0 HA GLU A 12 17.758 -9.191 -3.443 1.00 0.00 H new ATOM 0 HB2 GLU A 12 18.440 -11.667 -1.830 1.00 0.00 H new ATOM 0 HB3 GLU A 12 18.820 -11.557 -3.537 1.00 0.00 H new ATOM 0 HG2 GLU A 12 19.926 -9.243 -2.788 1.00 0.00 H new ATOM 0 HG3 GLU A 12 19.984 -10.039 -1.228 1.00 0.00 H new ATOM 136 N GLN A 13 15.457 -11.427 -2.848 1.00 0.00 N ATOM 137 CA GLN A 13 14.360 -12.180 -3.443 1.00 0.00 C ATOM 138 C GLN A 13 13.266 -11.244 -3.944 1.00 0.00 C ATOM 139 O GLN A 13 12.496 -11.594 -4.840 1.00 0.00 O ATOM 140 CB GLN A 13 13.779 -13.165 -2.428 1.00 0.00 C ATOM 141 CG GLN A 13 14.742 -14.275 -2.037 1.00 0.00 C ATOM 142 CD GLN A 13 14.766 -15.408 -3.044 1.00 0.00 C ATOM 143 OE1 GLN A 13 15.795 -15.684 -3.662 1.00 0.00 O ATOM 144 NE2 GLN A 13 13.629 -16.073 -3.215 1.00 0.00 N ATOM 0 H GLN A 13 15.465 -11.428 -1.828 1.00 0.00 H new ATOM 0 HA GLN A 13 14.755 -12.736 -4.293 1.00 0.00 H new ATOM 0 HB2 GLN A 13 13.484 -12.619 -1.532 1.00 0.00 H new ATOM 0 HB3 GLN A 13 12.874 -13.610 -2.843 1.00 0.00 H new ATOM 0 HG2 GLN A 13 15.746 -13.862 -1.937 1.00 0.00 H new ATOM 0 HG3 GLN A 13 14.460 -14.668 -1.060 1.00 0.00 H new ATOM 0 HE21 GLN A 13 12.800 -15.811 -2.682 1.00 0.00 H new ATOM 0 HE22 GLN A 13 13.585 -16.846 -3.879 1.00 0.00 H new ATOM 153 N LEU A 14 13.201 -10.052 -3.361 1.00 0.00 N ATOM 154 CA LEU A 14 12.200 -9.064 -3.748 1.00 0.00 C ATOM 155 C LEU A 14 12.669 -8.257 -4.954 1.00 0.00 C ATOM 156 O LEU A 14 12.043 -8.287 -6.015 1.00 0.00 O ATOM 157 CB LEU A 14 11.902 -8.125 -2.577 1.00 0.00 C ATOM 158 CG LEU A 14 10.815 -8.587 -1.606 1.00 0.00 C ATOM 159 CD1 LEU A 14 11.092 -8.061 -0.206 1.00 0.00 C ATOM 160 CD2 LEU A 14 9.444 -8.135 -2.086 1.00 0.00 C ATOM 0 H LEU A 14 13.830 -9.746 -2.618 1.00 0.00 H new ATOM 0 HA LEU A 14 11.288 -9.595 -4.022 1.00 0.00 H new ATOM 0 HB2 LEU A 14 12.823 -7.974 -2.015 1.00 0.00 H new ATOM 0 HB3 LEU A 14 11.612 -7.155 -2.980 1.00 0.00 H new ATOM 0 HG LEU A 14 10.824 -9.676 -1.571 1.00 0.00 H new ATOM 0 HD11 LEU A 14 10.308 -8.400 0.472 1.00 0.00 H new ATOM 0 HD12 LEU A 14 12.056 -8.435 0.139 1.00 0.00 H new ATOM 0 HD13 LEU A 14 11.110 -6.971 -0.224 1.00 0.00 H new ATOM 0 HD21 LEU A 14 8.683 -8.473 -1.383 1.00 0.00 H new ATOM 0 HD22 LEU A 14 9.421 -7.047 -2.150 1.00 0.00 H new ATOM 0 HD23 LEU A 14 9.244 -8.561 -3.069 1.00 0.00 H new ATOM 172 N LEU A 15 13.774 -7.540 -4.787 1.00 0.00 N ATOM 173 CA LEU A 15 14.329 -6.726 -5.863 1.00 0.00 C ATOM 174 C LEU A 15 14.101 -7.388 -7.218 1.00 0.00 C ATOM 175 O LEU A 15 13.474 -6.810 -8.104 1.00 0.00 O ATOM 176 CB LEU A 15 15.825 -6.499 -5.638 1.00 0.00 C ATOM 177 CG LEU A 15 16.209 -5.804 -4.332 1.00 0.00 C ATOM 178 CD1 LEU A 15 17.714 -5.860 -4.119 1.00 0.00 C ATOM 179 CD2 LEU A 15 15.722 -4.362 -4.332 1.00 0.00 C ATOM 0 H LEU A 15 14.304 -7.505 -3.916 1.00 0.00 H new ATOM 0 HA LEU A 15 13.818 -5.763 -5.859 1.00 0.00 H new ATOM 0 HB2 LEU A 15 16.328 -7.465 -5.674 1.00 0.00 H new ATOM 0 HB3 LEU A 15 16.211 -5.908 -6.468 1.00 0.00 H new ATOM 0 HG LEU A 15 15.727 -6.330 -3.508 1.00 0.00 H new ATOM 0 HD11 LEU A 15 17.968 -5.360 -3.184 1.00 0.00 H new ATOM 0 HD12 LEU A 15 18.037 -6.900 -4.074 1.00 0.00 H new ATOM 0 HD13 LEU A 15 18.217 -5.360 -4.946 1.00 0.00 H new ATOM 0 HD21 LEU A 15 16.004 -3.883 -3.395 1.00 0.00 H new ATOM 0 HD22 LEU A 15 16.175 -3.825 -5.165 1.00 0.00 H new ATOM 0 HD23 LEU A 15 14.637 -4.344 -4.436 1.00 0.00 H new ATOM 191 N GLU A 16 14.615 -8.605 -7.370 1.00 0.00 N ATOM 192 CA GLU A 16 14.466 -9.346 -8.618 1.00 0.00 C ATOM 193 C GLU A 16 13.032 -9.261 -9.133 1.00 0.00 C ATOM 194 O GLU A 16 12.800 -9.083 -10.329 1.00 0.00 O ATOM 195 CB GLU A 16 14.862 -10.810 -8.417 1.00 0.00 C ATOM 196 CG GLU A 16 13.768 -11.656 -7.787 1.00 0.00 C ATOM 197 CD GLU A 16 14.153 -13.118 -7.676 1.00 0.00 C ATOM 198 OE1 GLU A 16 15.179 -13.413 -7.029 1.00 0.00 O ATOM 199 OE2 GLU A 16 13.428 -13.967 -8.235 1.00 0.00 O ATOM 0 H GLU A 16 15.137 -9.098 -6.646 1.00 0.00 H new ATOM 0 HA GLU A 16 15.127 -8.897 -9.359 1.00 0.00 H new ATOM 0 HB2 GLU A 16 15.132 -11.240 -9.381 1.00 0.00 H new ATOM 0 HB3 GLU A 16 15.751 -10.854 -7.788 1.00 0.00 H new ATOM 0 HG2 GLU A 16 13.540 -11.268 -6.794 1.00 0.00 H new ATOM 0 HG3 GLU A 16 12.858 -11.568 -8.381 1.00 0.00 H new ATOM 206 N PHE A 17 12.074 -9.391 -8.222 1.00 0.00 N ATOM 207 CA PHE A 17 10.662 -9.331 -8.583 1.00 0.00 C ATOM 208 C PHE A 17 10.239 -7.897 -8.888 1.00 0.00 C ATOM 209 O PHE A 17 9.447 -7.652 -9.797 1.00 0.00 O ATOM 210 CB PHE A 17 9.800 -9.900 -7.455 1.00 0.00 C ATOM 211 CG PHE A 17 8.415 -9.321 -7.408 1.00 0.00 C ATOM 212 CD1 PHE A 17 7.541 -9.495 -8.468 1.00 0.00 C ATOM 213 CD2 PHE A 17 7.988 -8.602 -6.303 1.00 0.00 C ATOM 214 CE1 PHE A 17 6.265 -8.963 -8.428 1.00 0.00 C ATOM 215 CE2 PHE A 17 6.714 -8.068 -6.257 1.00 0.00 C ATOM 216 CZ PHE A 17 5.852 -8.248 -7.321 1.00 0.00 C ATOM 0 H PHE A 17 12.249 -9.539 -7.228 1.00 0.00 H new ATOM 0 HA PHE A 17 10.517 -9.933 -9.480 1.00 0.00 H new ATOM 0 HB2 PHE A 17 9.729 -10.981 -7.573 1.00 0.00 H new ATOM 0 HB3 PHE A 17 10.295 -9.715 -6.502 1.00 0.00 H new ATOM 0 HD1 PHE A 17 7.860 -10.053 -9.336 1.00 0.00 H new ATOM 0 HD2 PHE A 17 8.658 -8.457 -5.469 1.00 0.00 H new ATOM 0 HE1 PHE A 17 5.593 -9.106 -9.261 1.00 0.00 H new ATOM 0 HE2 PHE A 17 6.393 -7.510 -5.390 1.00 0.00 H new ATOM 0 HZ PHE A 17 4.857 -7.830 -7.287 1.00 0.00 H new ATOM 226 N MET A 18 10.774 -6.953 -8.120 1.00 0.00 N ATOM 227 CA MET A 18 10.453 -5.543 -8.308 1.00 0.00 C ATOM 228 C MET A 18 11.096 -5.004 -9.581 1.00 0.00 C ATOM 229 O MET A 18 10.773 -3.905 -10.035 1.00 0.00 O ATOM 230 CB MET A 18 10.920 -4.727 -7.101 1.00 0.00 C ATOM 231 CG MET A 18 10.252 -5.132 -5.798 1.00 0.00 C ATOM 232 SD MET A 18 11.280 -4.793 -4.356 1.00 0.00 S ATOM 233 CE MET A 18 10.958 -3.047 -4.114 1.00 0.00 C ATOM 0 H MET A 18 11.431 -7.139 -7.362 1.00 0.00 H new ATOM 0 HA MET A 18 9.371 -5.452 -8.403 1.00 0.00 H new ATOM 0 HB2 MET A 18 11.999 -4.835 -6.995 1.00 0.00 H new ATOM 0 HB3 MET A 18 10.723 -3.671 -7.288 1.00 0.00 H new ATOM 0 HG2 MET A 18 9.306 -4.600 -5.698 1.00 0.00 H new ATOM 0 HG3 MET A 18 10.017 -6.196 -5.830 1.00 0.00 H new ATOM 0 HE1 MET A 18 11.482 -2.700 -3.224 1.00 0.00 H new ATOM 0 HE2 MET A 18 11.308 -2.489 -4.982 1.00 0.00 H new ATOM 0 HE3 MET A 18 9.887 -2.888 -3.989 1.00 0.00 H new ATOM 243 N HIS A 19 12.008 -5.783 -10.154 1.00 0.00 N ATOM 244 CA HIS A 19 12.697 -5.383 -11.377 1.00 0.00 C ATOM 245 C HIS A 19 11.872 -5.745 -12.608 1.00 0.00 C ATOM 246 O HIS A 19 12.131 -5.253 -13.706 1.00 0.00 O ATOM 247 CB HIS A 19 14.070 -6.049 -11.454 1.00 0.00 C ATOM 248 CG HIS A 19 14.598 -6.172 -12.851 1.00 0.00 C ATOM 249 ND1 HIS A 19 14.707 -5.100 -13.711 1.00 0.00 N ATOM 250 CD2 HIS A 19 15.051 -7.249 -13.535 1.00 0.00 C ATOM 251 CE1 HIS A 19 15.202 -5.512 -14.864 1.00 0.00 C ATOM 252 NE2 HIS A 19 15.420 -6.812 -14.783 1.00 0.00 N ATOM 0 H HIS A 19 12.287 -6.695 -9.792 1.00 0.00 H new ATOM 0 HA HIS A 19 12.828 -4.301 -11.355 1.00 0.00 H new ATOM 0 HB2 HIS A 19 14.778 -5.475 -10.856 1.00 0.00 H new ATOM 0 HB3 HIS A 19 14.009 -7.042 -11.009 1.00 0.00 H new ATOM 0 HD2 HIS A 19 15.111 -8.263 -13.167 1.00 0.00 H new ATOM 0 HE1 HIS A 19 15.396 -4.891 -15.726 1.00 0.00 H new ATOM 0 HE2 HIS A 19 15.801 -7.397 -15.527 1.00 0.00 H new ATOM 261 N GLN A 20 10.879 -6.608 -12.417 1.00 0.00 N ATOM 262 CA GLN A 20 10.018 -7.036 -13.513 1.00 0.00 C ATOM 263 C GLN A 20 8.696 -6.278 -13.495 1.00 0.00 C ATOM 264 O GLN A 20 7.848 -6.466 -14.368 1.00 0.00 O ATOM 265 CB GLN A 20 9.758 -8.541 -13.427 1.00 0.00 C ATOM 266 CG GLN A 20 8.516 -8.899 -12.627 1.00 0.00 C ATOM 267 CD GLN A 20 8.359 -10.394 -12.429 1.00 0.00 C ATOM 268 OE1 GLN A 20 8.729 -10.936 -11.388 1.00 0.00 O ATOM 269 NE2 GLN A 20 7.808 -11.069 -13.431 1.00 0.00 N ATOM 0 H GLN A 20 10.651 -7.024 -11.514 1.00 0.00 H new ATOM 0 HA GLN A 20 10.529 -6.815 -14.450 1.00 0.00 H new ATOM 0 HB2 GLN A 20 9.659 -8.942 -14.436 1.00 0.00 H new ATOM 0 HB3 GLN A 20 10.623 -9.026 -12.975 1.00 0.00 H new ATOM 0 HG2 GLN A 20 8.562 -8.411 -11.654 1.00 0.00 H new ATOM 0 HG3 GLN A 20 7.635 -8.510 -13.137 1.00 0.00 H new ATOM 0 HE21 GLN A 20 7.516 -10.579 -14.276 1.00 0.00 H new ATOM 0 HE22 GLN A 20 7.677 -12.078 -13.355 1.00 0.00 H new ATOM 278 N LEU A 21 8.525 -5.420 -12.494 1.00 0.00 N ATOM 279 CA LEU A 21 7.304 -4.633 -12.362 1.00 0.00 C ATOM 280 C LEU A 21 7.530 -3.196 -12.822 1.00 0.00 C ATOM 281 O LEU A 21 8.591 -2.609 -12.608 1.00 0.00 O ATOM 282 CB LEU A 21 6.821 -4.645 -10.910 1.00 0.00 C ATOM 283 CG LEU A 21 6.342 -5.994 -10.374 1.00 0.00 C ATOM 284 CD1 LEU A 21 5.730 -5.832 -8.991 1.00 0.00 C ATOM 285 CD2 LEU A 21 5.342 -6.625 -11.332 1.00 0.00 C ATOM 0 H LEU A 21 9.216 -5.252 -11.763 1.00 0.00 H new ATOM 0 HA LEU A 21 6.541 -5.083 -12.997 1.00 0.00 H new ATOM 0 HB2 LEU A 21 7.633 -4.292 -10.275 1.00 0.00 H new ATOM 0 HB3 LEU A 21 6.006 -3.928 -10.813 1.00 0.00 H new ATOM 0 HG LEU A 21 7.203 -6.657 -10.292 1.00 0.00 H new ATOM 0 HD11 LEU A 21 5.395 -6.803 -8.626 1.00 0.00 H new ATOM 0 HD12 LEU A 21 6.476 -5.425 -8.308 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.880 -5.152 -9.047 1.00 0.00 H new ATOM 0 HD21 LEU A 21 5.012 -7.585 -10.934 1.00 0.00 H new ATOM 0 HD22 LEU A 21 4.482 -5.965 -11.447 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.814 -6.778 -12.302 1.00 0.00 H new ATOM 297 N PRO A 22 6.510 -2.614 -13.469 1.00 0.00 N ATOM 298 CA PRO A 22 6.572 -1.238 -13.971 1.00 0.00 C ATOM 299 C PRO A 22 6.573 -0.210 -12.844 1.00 0.00 C ATOM 300 O PRO A 22 7.335 0.756 -12.874 1.00 0.00 O ATOM 301 CB PRO A 22 5.299 -1.109 -14.811 1.00 0.00 C ATOM 302 CG PRO A 22 4.361 -2.112 -14.234 1.00 0.00 C ATOM 303 CD PRO A 22 5.216 -3.254 -13.759 1.00 0.00 C ATOM 0 HA PRO A 22 7.489 -1.049 -14.530 1.00 0.00 H new ATOM 0 HB2 PRO A 22 4.887 -0.102 -14.753 1.00 0.00 H new ATOM 0 HB3 PRO A 22 5.497 -1.312 -15.864 1.00 0.00 H new ATOM 0 HG2 PRO A 22 3.790 -1.683 -13.410 1.00 0.00 H new ATOM 0 HG3 PRO A 22 3.641 -2.448 -14.981 1.00 0.00 H new ATOM 0 HD2 PRO A 22 4.795 -3.729 -12.873 1.00 0.00 H new ATOM 0 HD3 PRO A 22 5.312 -4.028 -14.521 1.00 0.00 H new ATOM 311 N ALA A 23 5.715 -0.424 -11.853 1.00 0.00 N ATOM 312 CA ALA A 23 5.620 0.483 -10.716 1.00 0.00 C ATOM 313 C ALA A 23 6.923 0.510 -9.924 1.00 0.00 C ATOM 314 O ALA A 23 7.196 1.460 -9.190 1.00 0.00 O ATOM 315 CB ALA A 23 4.461 0.080 -9.815 1.00 0.00 C ATOM 0 H ALA A 23 5.075 -1.218 -11.814 1.00 0.00 H new ATOM 0 HA ALA A 23 5.437 1.487 -11.098 1.00 0.00 H new ATOM 0 HB1 ALA A 23 4.402 0.766 -8.970 1.00 0.00 H new ATOM 0 HB2 ALA A 23 3.530 0.119 -10.380 1.00 0.00 H new ATOM 0 HB3 ALA A 23 4.620 -0.934 -9.449 1.00 0.00 H new ATOM 321 N PHE A 24 7.724 -0.540 -10.076 1.00 0.00 N ATOM 322 CA PHE A 24 8.998 -0.637 -9.374 1.00 0.00 C ATOM 323 C PHE A 24 10.159 -0.291 -10.302 1.00 0.00 C ATOM 324 O PHE A 24 11.241 0.080 -9.848 1.00 0.00 O ATOM 325 CB PHE A 24 9.186 -2.046 -8.807 1.00 0.00 C ATOM 326 CG PHE A 24 8.526 -2.248 -7.473 1.00 0.00 C ATOM 327 CD1 PHE A 24 8.743 -1.356 -6.435 1.00 0.00 C ATOM 328 CD2 PHE A 24 7.687 -3.330 -7.257 1.00 0.00 C ATOM 329 CE1 PHE A 24 8.138 -1.540 -5.206 1.00 0.00 C ATOM 330 CE2 PHE A 24 7.079 -3.519 -6.030 1.00 0.00 C ATOM 331 CZ PHE A 24 7.303 -2.622 -5.004 1.00 0.00 C ATOM 0 H PHE A 24 7.513 -1.335 -10.679 1.00 0.00 H new ATOM 0 HA PHE A 24 8.987 0.080 -8.553 1.00 0.00 H new ATOM 0 HB2 PHE A 24 8.785 -2.771 -9.515 1.00 0.00 H new ATOM 0 HB3 PHE A 24 10.252 -2.251 -8.711 1.00 0.00 H new ATOM 0 HD1 PHE A 24 9.393 -0.507 -6.588 1.00 0.00 H new ATOM 0 HD2 PHE A 24 7.506 -4.033 -8.056 1.00 0.00 H new ATOM 0 HE1 PHE A 24 8.318 -0.839 -4.405 1.00 0.00 H new ATOM 0 HE2 PHE A 24 6.429 -4.367 -5.874 1.00 0.00 H new ATOM 0 HZ PHE A 24 6.826 -2.766 -4.046 1.00 0.00 H new ATOM 341 N ALA A 25 9.925 -0.417 -11.604 1.00 0.00 N ATOM 342 CA ALA A 25 10.949 -0.117 -12.597 1.00 0.00 C ATOM 343 C ALA A 25 11.123 1.389 -12.768 1.00 0.00 C ATOM 344 O ALA A 25 12.221 1.868 -13.050 1.00 0.00 O ATOM 345 CB ALA A 25 10.599 -0.764 -13.928 1.00 0.00 C ATOM 0 H ALA A 25 9.035 -0.725 -11.996 1.00 0.00 H new ATOM 0 HA ALA A 25 11.895 -0.528 -12.243 1.00 0.00 H new ATOM 0 HB1 ALA A 25 11.372 -0.532 -14.660 1.00 0.00 H new ATOM 0 HB2 ALA A 25 10.533 -1.845 -13.801 1.00 0.00 H new ATOM 0 HB3 ALA A 25 9.641 -0.380 -14.278 1.00 0.00 H new ATOM 351 N ASN A 26 10.033 2.129 -12.596 1.00 0.00 N ATOM 352 CA ASN A 26 10.065 3.581 -12.734 1.00 0.00 C ATOM 353 C ASN A 26 11.257 4.171 -11.986 1.00 0.00 C ATOM 354 O ASN A 26 12.027 4.953 -12.544 1.00 0.00 O ATOM 355 CB ASN A 26 8.765 4.193 -12.208 1.00 0.00 C ATOM 356 CG ASN A 26 8.564 5.619 -12.683 1.00 0.00 C ATOM 357 OD1 ASN A 26 8.513 5.883 -13.884 1.00 0.00 O ATOM 358 ND2 ASN A 26 8.450 6.546 -11.739 1.00 0.00 N ATOM 0 H ASN A 26 9.117 1.748 -12.361 1.00 0.00 H new ATOM 0 HA ASN A 26 10.168 3.819 -13.793 1.00 0.00 H new ATOM 0 HB2 ASN A 26 7.922 3.583 -12.532 1.00 0.00 H new ATOM 0 HB3 ASN A 26 8.772 4.173 -11.118 1.00 0.00 H new ATOM 0 HD21 ASN A 26 8.314 7.523 -11.998 1.00 0.00 H new ATOM 0 HD22 ASN A 26 8.498 6.281 -10.755 1.00 0.00 H new ATOM 365 N MET A 27 11.403 3.791 -10.721 1.00 0.00 N ATOM 366 CA MET A 27 12.502 4.281 -9.898 1.00 0.00 C ATOM 367 C MET A 27 13.746 3.416 -10.080 1.00 0.00 C ATOM 368 O MET A 27 13.675 2.316 -10.629 1.00 0.00 O ATOM 369 CB MET A 27 12.094 4.303 -8.424 1.00 0.00 C ATOM 370 CG MET A 27 11.210 3.134 -8.021 1.00 0.00 C ATOM 371 SD MET A 27 9.454 3.488 -8.224 1.00 0.00 S ATOM 372 CE MET A 27 8.877 3.318 -6.536 1.00 0.00 C ATOM 0 H MET A 27 10.774 3.145 -10.244 1.00 0.00 H new ATOM 0 HA MET A 27 12.737 5.296 -10.218 1.00 0.00 H new ATOM 0 HB2 MET A 27 12.992 4.298 -7.807 1.00 0.00 H new ATOM 0 HB3 MET A 27 11.568 5.235 -8.215 1.00 0.00 H new ATOM 0 HG2 MET A 27 11.472 2.262 -8.620 1.00 0.00 H new ATOM 0 HG3 MET A 27 11.407 2.877 -6.980 1.00 0.00 H new ATOM 0 HE1 MET A 27 7.952 3.880 -6.410 1.00 0.00 H new ATOM 0 HE2 MET A 27 8.695 2.266 -6.318 1.00 0.00 H new ATOM 0 HE3 MET A 27 9.633 3.705 -5.852 1.00 0.00 H new ATOM 382 N THR A 28 14.885 3.920 -9.616 1.00 0.00 N ATOM 383 CA THR A 28 16.144 3.194 -9.729 1.00 0.00 C ATOM 384 C THR A 28 16.204 2.039 -8.736 1.00 0.00 C ATOM 385 O THR A 28 15.508 2.045 -7.721 1.00 0.00 O ATOM 386 CB THR A 28 17.351 4.122 -9.493 1.00 0.00 C ATOM 387 OG1 THR A 28 18.492 3.351 -9.102 1.00 0.00 O ATOM 388 CG2 THR A 28 17.038 5.154 -8.421 1.00 0.00 C ATOM 0 H THR A 28 14.962 4.828 -9.158 1.00 0.00 H new ATOM 0 HA THR A 28 16.191 2.800 -10.744 1.00 0.00 H new ATOM 0 HB THR A 28 17.568 4.644 -10.425 1.00 0.00 H new ATOM 0 HG1 THR A 28 18.664 3.483 -8.146 1.00 0.00 H new ATOM 0 HG21 THR A 28 17.905 5.798 -8.272 1.00 0.00 H new ATOM 0 HG22 THR A 28 16.187 5.758 -8.735 1.00 0.00 H new ATOM 0 HG23 THR A 28 16.798 4.647 -7.487 1.00 0.00 H new ATOM 396 N MET A 29 17.039 1.050 -9.036 1.00 0.00 N ATOM 397 CA MET A 29 17.190 -0.112 -8.167 1.00 0.00 C ATOM 398 C MET A 29 17.487 0.317 -6.734 1.00 0.00 C ATOM 399 O MET A 29 16.880 -0.186 -5.788 1.00 0.00 O ATOM 400 CB MET A 29 18.310 -1.018 -8.683 1.00 0.00 C ATOM 401 CG MET A 29 18.552 -2.240 -7.811 1.00 0.00 C ATOM 402 SD MET A 29 19.738 -1.925 -6.489 1.00 0.00 S ATOM 403 CE MET A 29 18.893 -2.663 -5.093 1.00 0.00 C ATOM 0 H MET A 29 17.621 1.029 -9.873 1.00 0.00 H new ATOM 0 HA MET A 29 16.251 -0.666 -8.175 1.00 0.00 H new ATOM 0 HB2 MET A 29 18.065 -1.345 -9.693 1.00 0.00 H new ATOM 0 HB3 MET A 29 19.232 -0.441 -8.749 1.00 0.00 H new ATOM 0 HG2 MET A 29 17.607 -2.564 -7.376 1.00 0.00 H new ATOM 0 HG3 MET A 29 18.915 -3.059 -8.432 1.00 0.00 H new ATOM 0 HE1 MET A 29 19.623 -3.127 -4.430 1.00 0.00 H new ATOM 0 HE2 MET A 29 18.347 -1.892 -4.549 1.00 0.00 H new ATOM 0 HE3 MET A 29 18.194 -3.420 -5.449 1.00 0.00 H new ATOM 413 N SER A 30 18.423 1.247 -6.580 1.00 0.00 N ATOM 414 CA SER A 30 18.803 1.740 -5.261 1.00 0.00 C ATOM 415 C SER A 30 17.568 2.027 -4.413 1.00 0.00 C ATOM 416 O SER A 30 17.577 1.835 -3.196 1.00 0.00 O ATOM 417 CB SER A 30 19.652 3.006 -5.391 1.00 0.00 C ATOM 418 OG SER A 30 18.874 4.096 -5.855 1.00 0.00 O ATOM 0 H SER A 30 18.933 1.675 -7.353 1.00 0.00 H new ATOM 0 HA SER A 30 19.391 0.967 -4.766 1.00 0.00 H new ATOM 0 HB2 SER A 30 20.091 3.254 -4.425 1.00 0.00 H new ATOM 0 HB3 SER A 30 20.477 2.825 -6.079 1.00 0.00 H new ATOM 0 HG SER A 30 19.439 4.893 -5.928 1.00 0.00 H new ATOM 424 N VAL A 31 16.504 2.488 -5.063 1.00 0.00 N ATOM 425 CA VAL A 31 15.260 2.801 -4.371 1.00 0.00 C ATOM 426 C VAL A 31 14.571 1.533 -3.878 1.00 0.00 C ATOM 427 O VAL A 31 14.000 1.508 -2.788 1.00 0.00 O ATOM 428 CB VAL A 31 14.291 3.579 -5.281 1.00 0.00 C ATOM 429 CG1 VAL A 31 12.980 3.849 -4.558 1.00 0.00 C ATOM 430 CG2 VAL A 31 14.929 4.878 -5.750 1.00 0.00 C ATOM 0 H VAL A 31 16.479 2.653 -6.069 1.00 0.00 H new ATOM 0 HA VAL A 31 15.522 3.424 -3.516 1.00 0.00 H new ATOM 0 HB VAL A 31 14.075 2.970 -6.159 1.00 0.00 H new ATOM 0 HG11 VAL A 31 12.308 4.400 -5.216 1.00 0.00 H new ATOM 0 HG12 VAL A 31 12.518 2.903 -4.277 1.00 0.00 H new ATOM 0 HG13 VAL A 31 13.173 4.439 -3.662 1.00 0.00 H new ATOM 0 HG21 VAL A 31 14.231 5.415 -6.392 1.00 0.00 H new ATOM 0 HG22 VAL A 31 15.176 5.495 -4.886 1.00 0.00 H new ATOM 0 HG23 VAL A 31 15.838 4.656 -6.309 1.00 0.00 H new ATOM 440 N ARG A 32 14.629 0.482 -4.690 1.00 0.00 N ATOM 441 CA ARG A 32 14.010 -0.790 -4.337 1.00 0.00 C ATOM 442 C ARG A 32 14.537 -1.299 -2.999 1.00 0.00 C ATOM 443 O ARG A 32 13.805 -1.350 -2.011 1.00 0.00 O ATOM 444 CB ARG A 32 14.272 -1.829 -5.429 1.00 0.00 C ATOM 445 CG ARG A 32 13.712 -1.439 -6.787 1.00 0.00 C ATOM 446 CD ARG A 32 14.190 -2.384 -7.879 1.00 0.00 C ATOM 447 NE ARG A 32 13.960 -1.839 -9.214 1.00 0.00 N ATOM 448 CZ ARG A 32 14.653 -2.204 -10.287 1.00 0.00 C ATOM 449 NH1 ARG A 32 15.614 -3.111 -10.181 1.00 0.00 N ATOM 450 NH2 ARG A 32 14.385 -1.663 -11.468 1.00 0.00 N ATOM 0 H ARG A 32 15.098 0.486 -5.596 1.00 0.00 H new ATOM 0 HA ARG A 32 12.936 -0.630 -4.247 1.00 0.00 H new ATOM 0 HB2 ARG A 32 15.347 -1.985 -5.520 1.00 0.00 H new ATOM 0 HB3 ARG A 32 13.836 -2.781 -5.125 1.00 0.00 H new ATOM 0 HG2 ARG A 32 12.623 -1.447 -6.749 1.00 0.00 H new ATOM 0 HG3 ARG A 32 14.015 -0.420 -7.028 1.00 0.00 H new ATOM 0 HD2 ARG A 32 15.254 -2.582 -7.747 1.00 0.00 H new ATOM 0 HD3 ARG A 32 13.673 -3.339 -7.783 1.00 0.00 H new ATOM 0 HE ARG A 32 13.227 -1.139 -9.329 1.00 0.00 H new ATOM 0 HH11 ARG A 32 15.822 -3.530 -9.275 1.00 0.00 H new ATOM 0 HH12 ARG A 32 16.145 -3.390 -11.006 1.00 0.00 H new ATOM 0 HH21 ARG A 32 13.646 -0.965 -11.553 1.00 0.00 H new ATOM 0 HH22 ARG A 32 14.918 -1.945 -12.291 1.00 0.00 H new ATOM 464 N ARG A 33 15.812 -1.674 -2.975 1.00 0.00 N ATOM 465 CA ARG A 33 16.436 -2.181 -1.759 1.00 0.00 C ATOM 466 C ARG A 33 16.093 -1.298 -0.563 1.00 0.00 C ATOM 467 O ARG A 33 15.836 -1.795 0.533 1.00 0.00 O ATOM 468 CB ARG A 33 17.954 -2.255 -1.933 1.00 0.00 C ATOM 469 CG ARG A 33 18.690 -2.699 -0.679 1.00 0.00 C ATOM 470 CD ARG A 33 18.966 -1.527 0.250 1.00 0.00 C ATOM 471 NE ARG A 33 20.130 -1.765 1.100 1.00 0.00 N ATOM 472 CZ ARG A 33 20.679 -0.833 1.871 1.00 0.00 C ATOM 473 NH1 ARG A 33 20.172 0.392 1.900 1.00 0.00 N ATOM 474 NH2 ARG A 33 21.737 -1.125 2.616 1.00 0.00 N ATOM 0 H ARG A 33 16.433 -1.636 -3.784 1.00 0.00 H new ATOM 0 HA ARG A 33 16.049 -3.183 -1.572 1.00 0.00 H new ATOM 0 HB2 ARG A 33 18.185 -2.946 -2.744 1.00 0.00 H new ATOM 0 HB3 ARG A 33 18.325 -1.275 -2.234 1.00 0.00 H new ATOM 0 HG2 ARG A 33 18.098 -3.449 -0.154 1.00 0.00 H new ATOM 0 HG3 ARG A 33 19.631 -3.174 -0.957 1.00 0.00 H new ATOM 0 HD2 ARG A 33 19.127 -0.626 -0.341 1.00 0.00 H new ATOM 0 HD3 ARG A 33 18.092 -1.346 0.875 1.00 0.00 H new ATOM 0 HE ARG A 33 20.544 -2.697 1.102 1.00 0.00 H new ATOM 0 HH11 ARG A 33 19.358 0.621 1.329 1.00 0.00 H new ATOM 0 HH12 ARG A 33 20.596 1.105 2.493 1.00 0.00 H new ATOM 0 HH21 ARG A 33 22.130 -2.066 2.597 1.00 0.00 H new ATOM 0 HH22 ARG A 33 22.158 -0.408 3.208 1.00 0.00 H new ATOM 488 N GLU A 34 16.092 0.013 -0.783 1.00 0.00 N ATOM 489 CA GLU A 34 15.782 0.964 0.278 1.00 0.00 C ATOM 490 C GLU A 34 14.334 0.816 0.736 1.00 0.00 C ATOM 491 O GLU A 34 14.048 0.804 1.934 1.00 0.00 O ATOM 492 CB GLU A 34 16.032 2.396 -0.201 1.00 0.00 C ATOM 493 CG GLU A 34 17.498 2.795 -0.188 1.00 0.00 C ATOM 494 CD GLU A 34 17.694 4.296 -0.094 1.00 0.00 C ATOM 495 OE1 GLU A 34 17.269 4.886 0.921 1.00 0.00 O ATOM 496 OE2 GLU A 34 18.271 4.879 -1.035 1.00 0.00 O ATOM 0 H GLU A 34 16.302 0.440 -1.685 1.00 0.00 H new ATOM 0 HA GLU A 34 16.436 0.751 1.123 1.00 0.00 H new ATOM 0 HB2 GLU A 34 15.644 2.504 -1.214 1.00 0.00 H new ATOM 0 HB3 GLU A 34 15.471 3.085 0.431 1.00 0.00 H new ATOM 0 HG2 GLU A 34 17.994 2.314 0.655 1.00 0.00 H new ATOM 0 HG3 GLU A 34 17.979 2.426 -1.094 1.00 0.00 H new ATOM 503 N LEU A 35 13.424 0.702 -0.226 1.00 0.00 N ATOM 504 CA LEU A 35 12.005 0.555 0.077 1.00 0.00 C ATOM 505 C LEU A 35 11.773 -0.598 1.048 1.00 0.00 C ATOM 506 O LEU A 35 11.120 -0.433 2.080 1.00 0.00 O ATOM 507 CB LEU A 35 11.210 0.321 -1.209 1.00 0.00 C ATOM 508 CG LEU A 35 11.085 1.522 -2.147 1.00 0.00 C ATOM 509 CD1 LEU A 35 10.907 1.059 -3.585 1.00 0.00 C ATOM 510 CD2 LEU A 35 9.925 2.411 -1.724 1.00 0.00 C ATOM 0 H LEU A 35 13.644 0.709 -1.222 1.00 0.00 H new ATOM 0 HA LEU A 35 11.661 1.477 0.547 1.00 0.00 H new ATOM 0 HB2 LEU A 35 11.677 -0.497 -1.758 1.00 0.00 H new ATOM 0 HB3 LEU A 35 10.207 -0.009 -0.938 1.00 0.00 H new ATOM 0 HG LEU A 35 12.004 2.105 -2.085 1.00 0.00 H new ATOM 0 HD11 LEU A 35 10.820 1.927 -4.239 1.00 0.00 H new ATOM 0 HD12 LEU A 35 11.770 0.464 -3.885 1.00 0.00 H new ATOM 0 HD13 LEU A 35 10.004 0.454 -3.663 1.00 0.00 H new ATOM 0 HD21 LEU A 35 9.851 3.261 -2.403 1.00 0.00 H new ATOM 0 HD22 LEU A 35 8.998 1.839 -1.756 1.00 0.00 H new ATOM 0 HD23 LEU A 35 10.094 2.771 -0.709 1.00 0.00 H new ATOM 522 N CYS A 36 12.312 -1.765 0.713 1.00 0.00 N ATOM 523 CA CYS A 36 12.165 -2.946 1.557 1.00 0.00 C ATOM 524 C CYS A 36 12.408 -2.601 3.022 1.00 0.00 C ATOM 525 O CYS A 36 11.961 -3.315 3.920 1.00 0.00 O ATOM 526 CB CYS A 36 13.135 -4.041 1.110 1.00 0.00 C ATOM 527 SG CYS A 36 12.562 -5.721 1.458 1.00 0.00 S ATOM 0 H CYS A 36 12.855 -1.919 -0.137 1.00 0.00 H new ATOM 0 HA CYS A 36 11.143 -3.311 1.454 1.00 0.00 H new ATOM 0 HB2 CYS A 36 13.309 -3.942 0.038 1.00 0.00 H new ATOM 0 HB3 CYS A 36 14.094 -3.886 1.604 1.00 0.00 H new ATOM 0 HG CYS A 36 11.995 -5.753 2.627 1.00 0.00 H new ATOM 533 N SER A 37 13.120 -1.504 3.256 1.00 0.00 N ATOM 534 CA SER A 37 13.428 -1.067 4.613 1.00 0.00 C ATOM 535 C SER A 37 12.171 -0.570 5.322 1.00 0.00 C ATOM 536 O SER A 37 11.967 -0.834 6.507 1.00 0.00 O ATOM 537 CB SER A 37 14.484 0.039 4.589 1.00 0.00 C ATOM 538 OG SER A 37 15.123 0.161 5.847 1.00 0.00 O ATOM 0 H SER A 37 13.495 -0.901 2.524 1.00 0.00 H new ATOM 0 HA SER A 37 13.821 -1.922 5.163 1.00 0.00 H new ATOM 0 HB2 SER A 37 15.226 -0.179 3.820 1.00 0.00 H new ATOM 0 HB3 SER A 37 14.017 0.987 4.322 1.00 0.00 H new ATOM 0 HG SER A 37 15.795 0.873 5.805 1.00 0.00 H new ATOM 544 N VAL A 38 11.331 0.151 4.587 1.00 0.00 N ATOM 545 CA VAL A 38 10.093 0.685 5.143 1.00 0.00 C ATOM 546 C VAL A 38 8.875 0.095 4.439 1.00 0.00 C ATOM 547 O VAL A 38 7.804 0.700 4.420 1.00 0.00 O ATOM 548 CB VAL A 38 10.044 2.220 5.030 1.00 0.00 C ATOM 549 CG1 VAL A 38 11.133 2.853 5.883 1.00 0.00 C ATOM 550 CG2 VAL A 38 10.174 2.652 3.578 1.00 0.00 C ATOM 0 H VAL A 38 11.485 0.379 3.605 1.00 0.00 H new ATOM 0 HA VAL A 38 10.072 0.405 6.196 1.00 0.00 H new ATOM 0 HB VAL A 38 9.079 2.564 5.402 1.00 0.00 H new ATOM 0 HG11 VAL A 38 11.083 3.938 5.791 1.00 0.00 H new ATOM 0 HG12 VAL A 38 10.989 2.571 6.926 1.00 0.00 H new ATOM 0 HG13 VAL A 38 12.109 2.505 5.545 1.00 0.00 H new ATOM 0 HG21 VAL A 38 10.137 3.740 3.517 1.00 0.00 H new ATOM 0 HG22 VAL A 38 11.124 2.298 3.177 1.00 0.00 H new ATOM 0 HG23 VAL A 38 9.354 2.228 2.998 1.00 0.00 H new ATOM 560 N MET A 39 9.048 -1.089 3.862 1.00 0.00 N ATOM 561 CA MET A 39 7.962 -1.762 3.159 1.00 0.00 C ATOM 562 C MET A 39 7.144 -2.622 4.117 1.00 0.00 C ATOM 563 O MET A 39 7.692 -3.452 4.843 1.00 0.00 O ATOM 564 CB MET A 39 8.518 -2.627 2.026 1.00 0.00 C ATOM 565 CG MET A 39 8.904 -1.834 0.789 1.00 0.00 C ATOM 566 SD MET A 39 7.553 -1.694 -0.397 1.00 0.00 S ATOM 567 CE MET A 39 8.156 -2.737 -1.722 1.00 0.00 C ATOM 0 H MET A 39 9.929 -1.602 3.867 1.00 0.00 H new ATOM 0 HA MET A 39 7.308 -0.999 2.736 1.00 0.00 H new ATOM 0 HB2 MET A 39 9.392 -3.168 2.388 1.00 0.00 H new ATOM 0 HB3 MET A 39 7.773 -3.374 1.751 1.00 0.00 H new ATOM 0 HG2 MET A 39 9.225 -0.836 1.088 1.00 0.00 H new ATOM 0 HG3 MET A 39 9.757 -2.312 0.307 1.00 0.00 H new ATOM 0 HE1 MET A 39 7.331 -3.320 -2.130 1.00 0.00 H new ATOM 0 HE2 MET A 39 8.585 -2.115 -2.508 1.00 0.00 H new ATOM 0 HE3 MET A 39 8.920 -3.411 -1.335 1.00 0.00 H new ATOM 577 N ILE A 40 5.831 -2.418 4.114 1.00 0.00 N ATOM 578 CA ILE A 40 4.939 -3.175 4.983 1.00 0.00 C ATOM 579 C ILE A 40 4.524 -4.490 4.332 1.00 0.00 C ATOM 580 O ILE A 40 4.629 -4.654 3.116 1.00 0.00 O ATOM 581 CB ILE A 40 3.675 -2.368 5.334 1.00 0.00 C ATOM 582 CG1 ILE A 40 4.055 -0.959 5.793 1.00 0.00 C ATOM 583 CG2 ILE A 40 2.871 -3.083 6.409 1.00 0.00 C ATOM 584 CD1 ILE A 40 4.477 -0.890 7.244 1.00 0.00 C ATOM 0 H ILE A 40 5.362 -1.735 3.519 1.00 0.00 H new ATOM 0 HA ILE A 40 5.492 -3.383 5.899 1.00 0.00 H new ATOM 0 HB ILE A 40 3.055 -2.284 4.441 1.00 0.00 H new ATOM 0 HG12 ILE A 40 4.868 -0.589 5.168 1.00 0.00 H new ATOM 0 HG13 ILE A 40 3.206 -0.294 5.638 1.00 0.00 H new ATOM 0 HG21 ILE A 40 1.981 -2.500 6.646 1.00 0.00 H new ATOM 0 HG22 ILE A 40 2.574 -4.067 6.047 1.00 0.00 H new ATOM 0 HG23 ILE A 40 3.481 -3.195 7.306 1.00 0.00 H new ATOM 0 HD11 ILE A 40 4.732 0.138 7.500 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.658 -1.229 7.878 1.00 0.00 H new ATOM 0 HD13 ILE A 40 5.346 -1.529 7.401 1.00 0.00 H new ATOM 596 N PHE A 41 4.050 -5.425 5.149 1.00 0.00 N ATOM 597 CA PHE A 41 3.618 -6.727 4.653 1.00 0.00 C ATOM 598 C PHE A 41 2.177 -7.014 5.065 1.00 0.00 C ATOM 599 O PHE A 41 1.888 -7.227 6.242 1.00 0.00 O ATOM 600 CB PHE A 41 4.540 -7.828 5.179 1.00 0.00 C ATOM 601 CG PHE A 41 5.932 -7.763 4.619 1.00 0.00 C ATOM 602 CD1 PHE A 41 6.155 -7.925 3.262 1.00 0.00 C ATOM 603 CD2 PHE A 41 7.018 -7.540 5.451 1.00 0.00 C ATOM 604 CE1 PHE A 41 7.435 -7.866 2.743 1.00 0.00 C ATOM 605 CE2 PHE A 41 8.300 -7.479 4.938 1.00 0.00 C ATOM 606 CZ PHE A 41 8.509 -7.643 3.582 1.00 0.00 C ATOM 0 H PHE A 41 3.955 -5.305 6.158 1.00 0.00 H new ATOM 0 HA PHE A 41 3.670 -6.709 3.564 1.00 0.00 H new ATOM 0 HB2 PHE A 41 4.591 -7.760 6.266 1.00 0.00 H new ATOM 0 HB3 PHE A 41 4.106 -8.799 4.940 1.00 0.00 H new ATOM 0 HD1 PHE A 41 5.319 -8.100 2.601 1.00 0.00 H new ATOM 0 HD2 PHE A 41 6.861 -7.413 6.512 1.00 0.00 H new ATOM 0 HE1 PHE A 41 7.595 -7.994 1.683 1.00 0.00 H new ATOM 0 HE2 PHE A 41 9.138 -7.303 5.597 1.00 0.00 H new ATOM 0 HZ PHE A 41 9.510 -7.597 3.179 1.00 0.00 H new ATOM 616 N GLU A 42 1.278 -7.018 4.086 1.00 0.00 N ATOM 617 CA GLU A 42 -0.133 -7.278 4.346 1.00 0.00 C ATOM 618 C GLU A 42 -0.720 -8.206 3.287 1.00 0.00 C ATOM 619 O GLU A 42 -0.382 -8.112 2.107 1.00 0.00 O ATOM 620 CB GLU A 42 -0.918 -5.966 4.382 1.00 0.00 C ATOM 621 CG GLU A 42 -0.833 -5.242 5.716 1.00 0.00 C ATOM 622 CD GLU A 42 -1.846 -5.752 6.722 1.00 0.00 C ATOM 623 OE1 GLU A 42 -3.001 -5.276 6.693 1.00 0.00 O ATOM 624 OE2 GLU A 42 -1.485 -6.626 7.537 1.00 0.00 O ATOM 0 H GLU A 42 1.502 -6.844 3.106 1.00 0.00 H new ATOM 0 HA GLU A 42 -0.213 -7.767 5.317 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -0.546 -5.308 3.597 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -1.964 -6.172 4.156 1.00 0.00 H new ATOM 0 HG2 GLU A 42 0.170 -5.359 6.125 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -0.990 -4.175 5.557 1.00 0.00 H new ATOM 631 N VAL A 43 -1.602 -9.103 3.716 1.00 0.00 N ATOM 632 CA VAL A 43 -2.237 -10.048 2.806 1.00 0.00 C ATOM 633 C VAL A 43 -3.706 -10.250 3.160 1.00 0.00 C ATOM 634 O VAL A 43 -4.042 -10.578 4.298 1.00 0.00 O ATOM 635 CB VAL A 43 -1.523 -11.413 2.825 1.00 0.00 C ATOM 636 CG1 VAL A 43 -2.267 -12.417 1.958 1.00 0.00 C ATOM 637 CG2 VAL A 43 -0.080 -11.265 2.368 1.00 0.00 C ATOM 0 H VAL A 43 -1.893 -9.195 4.689 1.00 0.00 H new ATOM 0 HA VAL A 43 -2.163 -9.622 1.806 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.519 -11.788 3.849 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -1.748 -13.375 1.984 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -3.281 -12.544 2.337 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.306 -12.053 0.931 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.410 -12.239 2.388 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -0.059 -10.868 1.353 1.00 0.00 H new ATOM 0 HG23 VAL A 43 0.445 -10.582 3.036 1.00 0.00 H new ATOM 647 N VAL A 44 -4.579 -10.052 2.178 1.00 0.00 N ATOM 648 CA VAL A 44 -6.013 -10.213 2.385 1.00 0.00 C ATOM 649 C VAL A 44 -6.476 -11.603 1.961 1.00 0.00 C ATOM 650 O VAL A 44 -6.266 -12.016 0.821 1.00 0.00 O ATOM 651 CB VAL A 44 -6.816 -9.156 1.604 1.00 0.00 C ATOM 652 CG1 VAL A 44 -8.309 -9.408 1.744 1.00 0.00 C ATOM 653 CG2 VAL A 44 -6.456 -7.757 2.080 1.00 0.00 C ATOM 0 H VAL A 44 -4.318 -9.780 1.230 1.00 0.00 H new ATOM 0 HA VAL A 44 -6.196 -10.081 3.451 1.00 0.00 H new ATOM 0 HB VAL A 44 -6.557 -9.234 0.548 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -8.860 -8.651 1.185 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -8.550 -10.396 1.351 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -8.589 -9.358 2.796 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -7.032 -7.022 1.518 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -6.686 -7.664 3.141 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -5.392 -7.582 1.922 1.00 0.00 H new ATOM 663 N GLU A 45 -7.108 -12.318 2.886 1.00 0.00 N ATOM 664 CA GLU A 45 -7.601 -13.662 2.607 1.00 0.00 C ATOM 665 C GLU A 45 -9.051 -13.622 2.134 1.00 0.00 C ATOM 666 O GLU A 45 -9.445 -14.378 1.246 1.00 0.00 O ATOM 667 CB GLU A 45 -7.484 -14.541 3.854 1.00 0.00 C ATOM 668 CG GLU A 45 -6.119 -15.190 4.015 1.00 0.00 C ATOM 669 CD GLU A 45 -6.117 -16.292 5.056 1.00 0.00 C ATOM 670 OE1 GLU A 45 -6.722 -17.354 4.797 1.00 0.00 O ATOM 671 OE2 GLU A 45 -5.511 -16.094 6.130 1.00 0.00 O ATOM 0 H GLU A 45 -7.291 -11.990 3.834 1.00 0.00 H new ATOM 0 HA GLU A 45 -6.989 -14.088 1.812 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -7.696 -13.936 4.736 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -8.245 -15.320 3.812 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -5.800 -15.600 3.057 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -5.390 -14.430 4.295 1.00 0.00 H new ATOM 678 N GLN A 46 -9.839 -12.735 2.733 1.00 0.00 N ATOM 679 CA GLN A 46 -11.245 -12.598 2.374 1.00 0.00 C ATOM 680 C GLN A 46 -11.407 -11.741 1.123 1.00 0.00 C ATOM 681 O GLN A 46 -11.082 -10.554 1.126 1.00 0.00 O ATOM 682 CB GLN A 46 -12.032 -11.982 3.533 1.00 0.00 C ATOM 683 CG GLN A 46 -12.459 -12.994 4.584 1.00 0.00 C ATOM 684 CD GLN A 46 -12.815 -12.346 5.907 1.00 0.00 C ATOM 685 OE1 GLN A 46 -13.823 -11.648 6.019 1.00 0.00 O ATOM 686 NE2 GLN A 46 -11.987 -12.575 6.920 1.00 0.00 N ATOM 0 H GLN A 46 -9.528 -12.101 3.469 1.00 0.00 H new ATOM 0 HA GLN A 46 -11.638 -13.593 2.165 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -11.422 -11.213 4.007 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -12.918 -11.486 3.137 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -13.318 -13.554 4.215 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -11.654 -13.712 4.740 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -11.163 -13.160 6.783 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -12.175 -12.166 7.835 1.00 0.00 H new ATOM 695 N ALA A 47 -11.909 -12.352 0.055 1.00 0.00 N ATOM 696 CA ALA A 47 -12.115 -11.644 -1.203 1.00 0.00 C ATOM 697 C ALA A 47 -13.127 -10.516 -1.039 1.00 0.00 C ATOM 698 O ALA A 47 -13.756 -10.381 0.009 1.00 0.00 O ATOM 699 CB ALA A 47 -12.571 -12.613 -2.285 1.00 0.00 C ATOM 0 H ALA A 47 -12.180 -13.335 0.035 1.00 0.00 H new ATOM 0 HA ALA A 47 -11.165 -11.202 -1.503 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -12.721 -12.071 -3.219 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -11.811 -13.381 -2.429 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -13.508 -13.081 -1.983 1.00 0.00 H new ATOM 705 N GLY A 48 -13.279 -9.707 -2.084 1.00 0.00 N ATOM 706 CA GLY A 48 -14.217 -8.600 -2.034 1.00 0.00 C ATOM 707 C GLY A 48 -13.971 -7.685 -0.851 1.00 0.00 C ATOM 708 O GLY A 48 -14.871 -6.967 -0.416 1.00 0.00 O ATOM 0 H GLY A 48 -12.770 -9.798 -2.963 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -14.144 -8.024 -2.956 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -15.233 -8.991 -1.982 1.00 0.00 H new ATOM 712 N ALA A 49 -12.750 -7.712 -0.327 1.00 0.00 N ATOM 713 CA ALA A 49 -12.389 -6.878 0.813 1.00 0.00 C ATOM 714 C ALA A 49 -12.091 -5.449 0.374 1.00 0.00 C ATOM 715 O ALA A 49 -11.457 -5.225 -0.658 1.00 0.00 O ATOM 716 CB ALA A 49 -11.192 -7.470 1.541 1.00 0.00 C ATOM 0 H ALA A 49 -11.994 -8.302 -0.674 1.00 0.00 H new ATOM 0 HA ALA A 49 -13.238 -6.850 1.496 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -10.933 -6.837 2.390 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -11.440 -8.470 1.896 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -10.343 -7.527 0.859 1.00 0.00 H new ATOM 722 N ILE A 50 -12.551 -4.484 1.164 1.00 0.00 N ATOM 723 CA ILE A 50 -12.333 -3.076 0.857 1.00 0.00 C ATOM 724 C ILE A 50 -10.932 -2.635 1.267 1.00 0.00 C ATOM 725 O ILE A 50 -10.604 -2.599 2.453 1.00 0.00 O ATOM 726 CB ILE A 50 -13.368 -2.179 1.561 1.00 0.00 C ATOM 727 CG1 ILE A 50 -14.785 -2.565 1.133 1.00 0.00 C ATOM 728 CG2 ILE A 50 -13.096 -0.714 1.253 1.00 0.00 C ATOM 729 CD1 ILE A 50 -15.197 -3.949 1.585 1.00 0.00 C ATOM 0 H ILE A 50 -13.077 -4.652 2.022 1.00 0.00 H new ATOM 0 HA ILE A 50 -12.445 -2.967 -0.222 1.00 0.00 H new ATOM 0 HB ILE A 50 -13.282 -2.326 2.638 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -15.489 -1.836 1.535 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -14.855 -2.510 0.047 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -13.836 -0.093 1.758 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -12.099 -0.448 1.603 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -13.158 -0.551 0.177 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -16.212 -4.155 1.246 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -14.516 -4.688 1.162 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -15.159 -4.003 2.673 1.00 0.00 H new ATOM 741 N ILE A 51 -10.110 -2.300 0.278 1.00 0.00 N ATOM 742 CA ILE A 51 -8.746 -1.858 0.536 1.00 0.00 C ATOM 743 C ILE A 51 -8.717 -0.408 1.006 1.00 0.00 C ATOM 744 O ILE A 51 -7.974 -0.056 1.924 1.00 0.00 O ATOM 745 CB ILE A 51 -7.862 -1.996 -0.718 1.00 0.00 C ATOM 746 CG1 ILE A 51 -8.284 -3.221 -1.533 1.00 0.00 C ATOM 747 CG2 ILE A 51 -6.396 -2.095 -0.325 1.00 0.00 C ATOM 748 CD1 ILE A 51 -8.374 -4.490 -0.714 1.00 0.00 C ATOM 0 H ILE A 51 -10.365 -2.326 -0.709 1.00 0.00 H new ATOM 0 HA ILE A 51 -8.351 -2.501 1.322 1.00 0.00 H new ATOM 0 HB ILE A 51 -7.993 -1.108 -1.336 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -9.253 -3.025 -1.993 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -7.571 -3.371 -2.344 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -5.785 -2.192 -1.222 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -6.103 -1.196 0.218 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -6.248 -2.968 0.311 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -8.678 -5.317 -1.356 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -7.401 -4.710 -0.276 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -9.108 -4.359 0.081 1.00 0.00 H new ATOM 760 N LEU A 52 -9.531 0.430 0.374 1.00 0.00 N ATOM 761 CA LEU A 52 -9.601 1.843 0.729 1.00 0.00 C ATOM 762 C LEU A 52 -11.001 2.398 0.483 1.00 0.00 C ATOM 763 O LEU A 52 -11.773 1.836 -0.293 1.00 0.00 O ATOM 764 CB LEU A 52 -8.575 2.643 -0.076 1.00 0.00 C ATOM 765 CG LEU A 52 -7.115 2.218 0.087 1.00 0.00 C ATOM 766 CD1 LEU A 52 -6.261 2.805 -1.026 1.00 0.00 C ATOM 767 CD2 LEU A 52 -6.586 2.644 1.449 1.00 0.00 C ATOM 0 H LEU A 52 -10.152 0.155 -0.387 1.00 0.00 H new ATOM 0 HA LEU A 52 -9.374 1.937 1.791 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -8.837 2.574 -1.132 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -8.661 3.693 0.205 1.00 0.00 H new ATOM 0 HG LEU A 52 -7.063 1.131 0.022 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -5.225 2.492 -0.894 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -6.627 2.451 -1.990 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -6.318 3.893 -0.993 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -5.546 2.334 1.549 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -6.652 3.728 1.542 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -7.181 2.176 2.233 1.00 0.00 H new ATOM 779 N GLU A 53 -11.319 3.504 1.148 1.00 0.00 N ATOM 780 CA GLU A 53 -12.625 4.134 1.000 1.00 0.00 C ATOM 781 C GLU A 53 -12.502 5.481 0.292 1.00 0.00 C ATOM 782 O GLU A 53 -11.400 5.995 0.099 1.00 0.00 O ATOM 783 CB GLU A 53 -13.283 4.323 2.368 1.00 0.00 C ATOM 784 CG GLU A 53 -14.035 3.096 2.856 1.00 0.00 C ATOM 785 CD GLU A 53 -15.071 3.428 3.913 1.00 0.00 C ATOM 786 OE1 GLU A 53 -14.675 3.867 5.013 1.00 0.00 O ATOM 787 OE2 GLU A 53 -16.276 3.250 3.639 1.00 0.00 O ATOM 0 H GLU A 53 -10.691 3.982 1.794 1.00 0.00 H new ATOM 0 HA GLU A 53 -13.249 3.479 0.392 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -12.516 4.583 3.098 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -13.973 5.165 2.317 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -14.526 2.615 2.010 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -13.324 2.377 3.263 1.00 0.00 H new ATOM 794 N ASP A 54 -13.641 6.047 -0.092 1.00 0.00 N ATOM 795 CA ASP A 54 -13.663 7.333 -0.778 1.00 0.00 C ATOM 796 C ASP A 54 -13.581 8.483 0.222 1.00 0.00 C ATOM 797 O ASP A 54 -14.211 8.447 1.278 1.00 0.00 O ATOM 798 CB ASP A 54 -14.931 7.465 -1.622 1.00 0.00 C ATOM 799 CG ASP A 54 -16.194 7.310 -0.797 1.00 0.00 C ATOM 800 OD1 ASP A 54 -16.605 6.156 -0.552 1.00 0.00 O ATOM 801 OD2 ASP A 54 -16.771 8.342 -0.396 1.00 0.00 O ATOM 0 H ASP A 54 -14.561 5.635 0.060 1.00 0.00 H new ATOM 0 HA ASP A 54 -12.794 7.381 -1.434 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -14.938 8.438 -2.112 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -14.920 6.711 -2.409 1.00 0.00 H new ATOM 806 N GLY A 55 -12.798 9.502 -0.119 1.00 0.00 N ATOM 807 CA GLY A 55 -12.646 10.648 0.759 1.00 0.00 C ATOM 808 C GLY A 55 -11.880 10.311 2.024 1.00 0.00 C ATOM 809 O GLY A 55 -12.273 10.711 3.119 1.00 0.00 O ATOM 0 H GLY A 55 -12.266 9.554 -0.988 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -12.128 11.445 0.225 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -13.631 11.031 1.025 1.00 0.00 H new ATOM 813 N GLN A 56 -10.785 9.574 1.872 1.00 0.00 N ATOM 814 CA GLN A 56 -9.964 9.182 3.011 1.00 0.00 C ATOM 815 C GLN A 56 -8.510 9.591 2.800 1.00 0.00 C ATOM 816 O GLN A 56 -7.880 9.193 1.821 1.00 0.00 O ATOM 817 CB GLN A 56 -10.054 7.672 3.237 1.00 0.00 C ATOM 818 CG GLN A 56 -9.075 7.153 4.278 1.00 0.00 C ATOM 819 CD GLN A 56 -9.323 5.702 4.639 1.00 0.00 C ATOM 820 OE1 GLN A 56 -10.460 5.297 4.885 1.00 0.00 O ATOM 821 NE2 GLN A 56 -8.258 4.910 4.674 1.00 0.00 N ATOM 0 H GLN A 56 -10.446 9.236 0.971 1.00 0.00 H new ATOM 0 HA GLN A 56 -10.343 9.697 3.894 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -11.068 7.419 3.546 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -9.872 7.160 2.292 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -8.058 7.261 3.901 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -9.148 7.765 5.177 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -7.334 5.288 4.463 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -8.363 3.924 4.912 1.00 0.00 H new ATOM 830 N GLU A 57 -7.984 10.388 3.725 1.00 0.00 N ATOM 831 CA GLU A 57 -6.604 10.851 3.639 1.00 0.00 C ATOM 832 C GLU A 57 -5.639 9.672 3.558 1.00 0.00 C ATOM 833 O GLU A 57 -5.381 8.996 4.555 1.00 0.00 O ATOM 834 CB GLU A 57 -6.259 11.725 4.847 1.00 0.00 C ATOM 835 CG GLU A 57 -4.861 12.316 4.791 1.00 0.00 C ATOM 836 CD GLU A 57 -4.562 13.220 5.971 1.00 0.00 C ATOM 837 OE1 GLU A 57 -5.502 13.872 6.473 1.00 0.00 O ATOM 838 OE2 GLU A 57 -3.388 13.276 6.393 1.00 0.00 O ATOM 0 H GLU A 57 -8.492 10.726 4.542 1.00 0.00 H new ATOM 0 HA GLU A 57 -6.503 11.444 2.730 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -6.984 12.536 4.917 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -6.357 11.130 5.755 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -4.130 11.508 4.763 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -4.747 12.882 3.866 1.00 0.00 H new ATOM 845 N LEU A 58 -5.108 9.431 2.365 1.00 0.00 N ATOM 846 CA LEU A 58 -4.171 8.333 2.152 1.00 0.00 C ATOM 847 C LEU A 58 -2.771 8.713 2.622 1.00 0.00 C ATOM 848 O LEU A 58 -2.188 9.687 2.145 1.00 0.00 O ATOM 849 CB LEU A 58 -4.136 7.945 0.672 1.00 0.00 C ATOM 850 CG LEU A 58 -5.462 7.477 0.070 1.00 0.00 C ATOM 851 CD1 LEU A 58 -5.525 7.819 -1.410 1.00 0.00 C ATOM 852 CD2 LEU A 58 -5.645 5.982 0.282 1.00 0.00 C ATOM 0 H LEU A 58 -5.310 9.981 1.530 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.512 7.479 2.737 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -3.783 8.803 0.100 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -3.401 7.151 0.542 1.00 0.00 H new ATOM 0 HG LEU A 58 -6.274 7.998 0.577 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -6.475 7.479 -1.822 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -5.440 8.898 -1.538 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -4.706 7.326 -1.933 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -6.593 5.666 -0.153 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -4.828 5.444 -0.199 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -5.644 5.763 1.350 1.00 0.00 H new ATOM 864 N ASP A 59 -2.237 7.938 3.559 1.00 0.00 N ATOM 865 CA ASP A 59 -0.903 8.191 4.093 1.00 0.00 C ATOM 866 C ASP A 59 -0.009 6.967 3.924 1.00 0.00 C ATOM 867 O ASP A 59 0.967 6.793 4.653 1.00 0.00 O ATOM 868 CB ASP A 59 -0.986 8.578 5.570 1.00 0.00 C ATOM 869 CG ASP A 59 -1.154 7.373 6.475 1.00 0.00 C ATOM 870 OD1 ASP A 59 -2.239 6.754 6.445 1.00 0.00 O ATOM 871 OD2 ASP A 59 -0.201 7.048 7.213 1.00 0.00 O ATOM 0 H ASP A 59 -2.707 7.129 3.965 1.00 0.00 H new ATOM 0 HA ASP A 59 -0.466 9.018 3.534 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -0.082 9.118 5.853 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -1.824 9.259 5.718 1.00 0.00 H new ATOM 876 N SER A 60 -0.350 6.120 2.958 1.00 0.00 N ATOM 877 CA SER A 60 0.419 4.909 2.696 1.00 0.00 C ATOM 878 C SER A 60 0.189 4.416 1.271 1.00 0.00 C ATOM 879 O SER A 60 -0.933 4.078 0.893 1.00 0.00 O ATOM 880 CB SER A 60 0.040 3.813 3.694 1.00 0.00 C ATOM 881 OG SER A 60 -1.359 3.587 3.696 1.00 0.00 O ATOM 0 H SER A 60 -1.154 6.250 2.344 1.00 0.00 H new ATOM 0 HA SER A 60 1.476 5.148 2.813 1.00 0.00 H new ATOM 0 HB2 SER A 60 0.560 2.890 3.440 1.00 0.00 H new ATOM 0 HB3 SER A 60 0.367 4.098 4.694 1.00 0.00 H new ATOM 0 HG SER A 60 -1.680 3.512 2.773 1.00 0.00 H new ATOM 887 N TRP A 61 1.259 4.378 0.485 1.00 0.00 N ATOM 888 CA TRP A 61 1.174 3.927 -0.899 1.00 0.00 C ATOM 889 C TRP A 61 0.953 2.420 -0.968 1.00 0.00 C ATOM 890 O TRP A 61 1.631 1.652 -0.286 1.00 0.00 O ATOM 891 CB TRP A 61 2.448 4.303 -1.658 1.00 0.00 C ATOM 892 CG TRP A 61 2.449 3.840 -3.084 1.00 0.00 C ATOM 893 CD1 TRP A 61 1.422 3.942 -3.979 1.00 0.00 C ATOM 894 CD2 TRP A 61 3.526 3.201 -3.777 1.00 0.00 C ATOM 895 NE1 TRP A 61 1.797 3.405 -5.187 1.00 0.00 N ATOM 896 CE2 TRP A 61 3.083 2.944 -5.090 1.00 0.00 C ATOM 897 CE3 TRP A 61 4.823 2.823 -3.418 1.00 0.00 C ATOM 898 CZ2 TRP A 61 3.891 2.326 -6.040 1.00 0.00 C ATOM 899 CZ3 TRP A 61 5.623 2.209 -4.363 1.00 0.00 C ATOM 900 CH2 TRP A 61 5.156 1.966 -5.661 1.00 0.00 C ATOM 0 H TRP A 61 2.195 4.654 0.782 1.00 0.00 H new ATOM 0 HA TRP A 61 0.322 4.422 -1.365 1.00 0.00 H new ATOM 0 HB2 TRP A 61 2.570 5.386 -1.635 1.00 0.00 H new ATOM 0 HB3 TRP A 61 3.308 3.875 -1.144 1.00 0.00 H new ATOM 0 HD1 TRP A 61 0.458 4.380 -3.768 1.00 0.00 H new ATOM 0 HE1 TRP A 61 1.212 3.357 -6.021 1.00 0.00 H new ATOM 0 HE3 TRP A 61 5.193 3.007 -2.420 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 3.532 2.137 -7.041 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 6.626 1.911 -4.096 1.00 0.00 H new ATOM 0 HH2 TRP A 61 5.807 1.485 -6.377 1.00 0.00 H new ATOM 911 N TYR A 62 0.000 2.004 -1.796 1.00 0.00 N ATOM 912 CA TYR A 62 -0.312 0.588 -1.951 1.00 0.00 C ATOM 913 C TYR A 62 0.107 0.087 -3.330 1.00 0.00 C ATOM 914 O TYR A 62 -0.009 0.802 -4.325 1.00 0.00 O ATOM 915 CB TYR A 62 -1.808 0.348 -1.742 1.00 0.00 C ATOM 916 CG TYR A 62 -2.325 0.869 -0.420 1.00 0.00 C ATOM 917 CD1 TYR A 62 -2.610 2.218 -0.245 1.00 0.00 C ATOM 918 CD2 TYR A 62 -2.531 0.012 0.654 1.00 0.00 C ATOM 919 CE1 TYR A 62 -3.082 2.698 0.961 1.00 0.00 C ATOM 920 CE2 TYR A 62 -3.005 0.483 1.864 1.00 0.00 C ATOM 921 CZ TYR A 62 -3.278 1.827 2.012 1.00 0.00 C ATOM 922 OH TYR A 62 -3.749 2.301 3.215 1.00 0.00 O ATOM 0 H TYR A 62 -0.569 2.627 -2.369 1.00 0.00 H new ATOM 0 HA TYR A 62 0.247 0.034 -1.197 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -2.361 0.824 -2.552 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -2.008 -0.722 -1.805 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -2.460 2.903 -1.066 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -2.317 -1.041 0.541 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -3.296 3.750 1.080 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -3.161 -0.197 2.688 1.00 0.00 H new ATOM 0 HH TYR A 62 -3.034 2.785 3.678 1.00 0.00 H new ATOM 932 N VAL A 63 0.594 -1.149 -3.380 1.00 0.00 N ATOM 933 CA VAL A 63 1.029 -1.749 -4.635 1.00 0.00 C ATOM 934 C VAL A 63 0.521 -3.181 -4.765 1.00 0.00 C ATOM 935 O VAL A 63 0.726 -4.006 -3.873 1.00 0.00 O ATOM 936 CB VAL A 63 2.564 -1.747 -4.756 1.00 0.00 C ATOM 937 CG1 VAL A 63 2.997 -2.380 -6.070 1.00 0.00 C ATOM 938 CG2 VAL A 63 3.106 -0.331 -4.633 1.00 0.00 C ATOM 0 H VAL A 63 0.697 -1.754 -2.565 1.00 0.00 H new ATOM 0 HA VAL A 63 0.608 -1.143 -5.438 1.00 0.00 H new ATOM 0 HB VAL A 63 2.976 -2.342 -3.941 1.00 0.00 H new ATOM 0 HG11 VAL A 63 4.085 -2.370 -6.138 1.00 0.00 H new ATOM 0 HG12 VAL A 63 2.641 -3.409 -6.113 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.576 -1.815 -6.902 1.00 0.00 H new ATOM 0 HG21 VAL A 63 4.192 -0.348 -4.721 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.688 0.289 -5.426 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.827 0.083 -3.664 1.00 0.00 H new ATOM 948 N ILE A 64 -0.140 -3.470 -5.881 1.00 0.00 N ATOM 949 CA ILE A 64 -0.675 -4.803 -6.127 1.00 0.00 C ATOM 950 C ILE A 64 0.446 -5.825 -6.284 1.00 0.00 C ATOM 951 O ILE A 64 1.143 -5.849 -7.299 1.00 0.00 O ATOM 952 CB ILE A 64 -1.559 -4.831 -7.388 1.00 0.00 C ATOM 953 CG1 ILE A 64 -2.719 -3.844 -7.246 1.00 0.00 C ATOM 954 CG2 ILE A 64 -2.080 -6.238 -7.639 1.00 0.00 C ATOM 955 CD1 ILE A 64 -3.421 -3.543 -8.552 1.00 0.00 C ATOM 0 H ILE A 64 -0.318 -2.799 -6.629 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.283 -5.064 -5.261 1.00 0.00 H new ATOM 0 HB ILE A 64 -0.955 -4.531 -8.244 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -3.443 -4.247 -6.538 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -2.343 -2.913 -6.822 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -2.703 -6.241 -8.533 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -1.239 -6.918 -7.780 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -2.671 -6.565 -6.784 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -4.232 -2.836 -8.375 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -2.710 -3.110 -9.256 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -3.828 -4.465 -8.968 1.00 0.00 H new ATOM 967 N LEU A 65 0.614 -6.670 -5.272 1.00 0.00 N ATOM 968 CA LEU A 65 1.649 -7.697 -5.297 1.00 0.00 C ATOM 969 C LEU A 65 1.097 -9.015 -5.831 1.00 0.00 C ATOM 970 O LEU A 65 1.806 -9.777 -6.486 1.00 0.00 O ATOM 971 CB LEU A 65 2.225 -7.903 -3.895 1.00 0.00 C ATOM 972 CG LEU A 65 2.930 -6.696 -3.275 1.00 0.00 C ATOM 973 CD1 LEU A 65 3.220 -6.945 -1.803 1.00 0.00 C ATOM 974 CD2 LEU A 65 4.215 -6.384 -4.028 1.00 0.00 C ATOM 0 H LEU A 65 0.047 -6.664 -4.424 1.00 0.00 H new ATOM 0 HA LEU A 65 2.443 -7.361 -5.964 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.415 -8.205 -3.232 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.932 -8.732 -3.933 1.00 0.00 H new ATOM 0 HG LEU A 65 2.268 -5.834 -3.353 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.722 -6.075 -1.379 1.00 0.00 H new ATOM 0 HD12 LEU A 65 2.284 -7.119 -1.272 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.862 -7.820 -1.702 1.00 0.00 H new ATOM 0 HD21 LEU A 65 4.703 -5.522 -3.573 1.00 0.00 H new ATOM 0 HD22 LEU A 65 4.882 -7.245 -3.982 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.982 -6.161 -5.069 1.00 0.00 H new ATOM 986 N ASN A 66 -0.175 -9.275 -5.547 1.00 0.00 N ATOM 987 CA ASN A 66 -0.824 -10.500 -6.000 1.00 0.00 C ATOM 988 C ASN A 66 -2.341 -10.335 -6.025 1.00 0.00 C ATOM 989 O ASN A 66 -2.910 -9.608 -5.213 1.00 0.00 O ATOM 990 CB ASN A 66 -0.443 -11.671 -5.091 1.00 0.00 C ATOM 991 CG ASN A 66 -0.747 -13.016 -5.722 1.00 0.00 C ATOM 992 OD1 ASN A 66 -0.283 -13.317 -6.822 1.00 0.00 O ATOM 993 ND2 ASN A 66 -1.530 -13.831 -5.026 1.00 0.00 N ATOM 0 H ASN A 66 -0.777 -8.654 -5.006 1.00 0.00 H new ATOM 0 HA ASN A 66 -0.482 -10.709 -7.014 1.00 0.00 H new ATOM 0 HB2 ASN A 66 0.620 -11.615 -4.857 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -0.982 -11.585 -4.148 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -1.770 -14.750 -5.399 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -1.892 -13.539 -4.118 1.00 0.00 H new ATOM 1000 N GLY A 67 -2.989 -11.017 -6.965 1.00 0.00 N ATOM 1001 CA GLY A 67 -4.434 -10.933 -7.079 1.00 0.00 C ATOM 1002 C GLY A 67 -4.882 -9.741 -7.901 1.00 0.00 C ATOM 1003 O GLY A 67 -4.057 -8.981 -8.410 1.00 0.00 O ATOM 0 H GLY A 67 -2.540 -11.626 -7.649 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -4.813 -11.848 -7.534 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -4.871 -10.868 -6.082 1.00 0.00 H new ATOM 1007 N THR A 68 -6.195 -9.575 -8.033 1.00 0.00 N ATOM 1008 CA THR A 68 -6.752 -8.469 -8.801 1.00 0.00 C ATOM 1009 C THR A 68 -7.624 -7.576 -7.926 1.00 0.00 C ATOM 1010 O THR A 68 -8.424 -8.063 -7.127 1.00 0.00 O ATOM 1011 CB THR A 68 -7.588 -8.976 -9.991 1.00 0.00 C ATOM 1012 OG1 THR A 68 -6.746 -9.659 -10.926 1.00 0.00 O ATOM 1013 CG2 THR A 68 -8.295 -7.822 -10.686 1.00 0.00 C ATOM 0 H THR A 68 -6.892 -10.193 -7.618 1.00 0.00 H new ATOM 0 HA THR A 68 -5.909 -7.891 -9.179 1.00 0.00 H new ATOM 0 HB THR A 68 -8.341 -9.666 -9.610 1.00 0.00 H new ATOM 0 HG1 THR A 68 -7.286 -9.979 -11.679 1.00 0.00 H new ATOM 0 HG21 THR A 68 -8.879 -8.204 -11.523 1.00 0.00 H new ATOM 0 HG22 THR A 68 -8.958 -7.323 -9.979 1.00 0.00 H new ATOM 0 HG23 THR A 68 -7.555 -7.111 -11.054 1.00 0.00 H new ATOM 1021 N VAL A 69 -7.464 -6.265 -8.081 1.00 0.00 N ATOM 1022 CA VAL A 69 -8.238 -5.303 -7.306 1.00 0.00 C ATOM 1023 C VAL A 69 -9.097 -4.430 -8.213 1.00 0.00 C ATOM 1024 O VAL A 69 -8.622 -3.913 -9.224 1.00 0.00 O ATOM 1025 CB VAL A 69 -7.323 -4.400 -6.458 1.00 0.00 C ATOM 1026 CG1 VAL A 69 -6.592 -5.218 -5.405 1.00 0.00 C ATOM 1027 CG2 VAL A 69 -6.338 -3.656 -7.347 1.00 0.00 C ATOM 0 H VAL A 69 -6.805 -5.845 -8.737 1.00 0.00 H new ATOM 0 HA VAL A 69 -8.884 -5.878 -6.643 1.00 0.00 H new ATOM 0 HB VAL A 69 -7.942 -3.664 -5.945 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -5.950 -4.563 -4.816 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -7.318 -5.700 -4.750 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -5.983 -5.979 -5.893 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -5.699 -3.023 -6.732 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -5.723 -4.374 -7.889 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -6.885 -3.037 -8.058 1.00 0.00 H new ATOM 1037 N GLU A 70 -10.364 -4.270 -7.845 1.00 0.00 N ATOM 1038 CA GLU A 70 -11.290 -3.458 -8.627 1.00 0.00 C ATOM 1039 C GLU A 70 -11.649 -2.174 -7.885 1.00 0.00 C ATOM 1040 O GLU A 70 -12.003 -2.205 -6.706 1.00 0.00 O ATOM 1041 CB GLU A 70 -12.560 -4.252 -8.939 1.00 0.00 C ATOM 1042 CG GLU A 70 -13.616 -3.445 -9.675 1.00 0.00 C ATOM 1043 CD GLU A 70 -14.921 -4.201 -9.836 1.00 0.00 C ATOM 1044 OE1 GLU A 70 -15.484 -4.637 -8.809 1.00 0.00 O ATOM 1045 OE2 GLU A 70 -15.379 -4.357 -10.986 1.00 0.00 O ATOM 0 H GLU A 70 -10.773 -4.691 -7.011 1.00 0.00 H new ATOM 0 HA GLU A 70 -10.798 -3.191 -9.562 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -12.296 -5.123 -9.539 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -12.984 -4.625 -8.006 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -13.802 -2.518 -9.133 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -13.237 -3.169 -10.659 1.00 0.00 H new ATOM 1052 N ILE A 71 -11.553 -1.048 -8.583 1.00 0.00 N ATOM 1053 CA ILE A 71 -11.868 0.246 -7.991 1.00 0.00 C ATOM 1054 C ILE A 71 -13.182 0.795 -8.537 1.00 0.00 C ATOM 1055 O ILE A 71 -13.456 0.702 -9.733 1.00 0.00 O ATOM 1056 CB ILE A 71 -10.749 1.272 -8.252 1.00 0.00 C ATOM 1057 CG1 ILE A 71 -9.418 0.758 -7.698 1.00 0.00 C ATOM 1058 CG2 ILE A 71 -11.105 2.614 -7.630 1.00 0.00 C ATOM 1059 CD1 ILE A 71 -8.209 1.433 -8.308 1.00 0.00 C ATOM 0 H ILE A 71 -11.260 -1.005 -9.559 1.00 0.00 H new ATOM 0 HA ILE A 71 -11.961 0.087 -6.917 1.00 0.00 H new ATOM 0 HB ILE A 71 -10.645 1.409 -9.328 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -9.401 0.907 -6.618 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -9.351 -0.316 -7.873 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -10.305 3.328 -7.823 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -12.033 2.983 -8.067 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -11.233 2.494 -6.554 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -7.301 1.019 -7.869 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -8.202 1.262 -9.385 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -8.252 2.504 -8.111 1.00 0.00 H new ATOM 1071 N SER A 72 -13.990 1.369 -7.652 1.00 0.00 N ATOM 1072 CA SER A 72 -15.277 1.932 -8.044 1.00 0.00 C ATOM 1073 C SER A 72 -15.336 3.424 -7.729 1.00 0.00 C ATOM 1074 O SER A 72 -14.966 3.855 -6.636 1.00 0.00 O ATOM 1075 CB SER A 72 -16.416 1.204 -7.328 1.00 0.00 C ATOM 1076 OG SER A 72 -17.644 1.380 -8.012 1.00 0.00 O ATOM 0 H SER A 72 -13.776 1.457 -6.658 1.00 0.00 H new ATOM 0 HA SER A 72 -15.390 1.800 -9.120 1.00 0.00 H new ATOM 0 HB2 SER A 72 -16.185 0.141 -7.257 1.00 0.00 H new ATOM 0 HB3 SER A 72 -16.507 1.579 -6.309 1.00 0.00 H new ATOM 0 HG SER A 72 -18.355 0.904 -7.535 1.00 0.00 H new ATOM 1082 N HIS A 73 -15.802 4.208 -8.696 1.00 0.00 N ATOM 1083 CA HIS A 73 -15.911 5.653 -8.524 1.00 0.00 C ATOM 1084 C HIS A 73 -17.367 6.070 -8.341 1.00 0.00 C ATOM 1085 O HIS A 73 -18.284 5.478 -8.910 1.00 0.00 O ATOM 1086 CB HIS A 73 -15.307 6.378 -9.726 1.00 0.00 C ATOM 1087 CG HIS A 73 -13.823 6.213 -9.842 1.00 0.00 C ATOM 1088 ND1 HIS A 73 -12.923 6.975 -9.128 1.00 0.00 N ATOM 1089 CD2 HIS A 73 -13.082 5.364 -10.594 1.00 0.00 C ATOM 1090 CE1 HIS A 73 -11.693 6.605 -9.437 1.00 0.00 C ATOM 1091 NE2 HIS A 73 -11.762 5.628 -10.324 1.00 0.00 N ATOM 0 H HIS A 73 -16.110 3.867 -9.607 1.00 0.00 H new ATOM 0 HA HIS A 73 -15.357 5.930 -7.627 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -15.778 6.008 -10.637 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -15.542 7.440 -9.655 1.00 0.00 H new ATOM 0 HD1 HIS A 73 -13.168 7.710 -8.465 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -13.459 4.618 -11.278 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -10.785 7.029 -9.033 1.00 0.00 H new ATOM 1100 N PRO A 74 -17.586 7.114 -7.528 1.00 0.00 N ATOM 1101 CA PRO A 74 -18.928 7.634 -7.251 1.00 0.00 C ATOM 1102 C PRO A 74 -19.544 8.324 -8.464 1.00 0.00 C ATOM 1103 O PRO A 74 -20.752 8.559 -8.510 1.00 0.00 O ATOM 1104 CB PRO A 74 -18.693 8.642 -6.124 1.00 0.00 C ATOM 1105 CG PRO A 74 -17.275 9.068 -6.286 1.00 0.00 C ATOM 1106 CD PRO A 74 -16.540 7.868 -6.815 1.00 0.00 C ATOM 0 HA PRO A 74 -19.627 6.839 -6.991 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -19.373 9.490 -6.204 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -18.861 8.189 -5.147 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -17.196 9.909 -6.975 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -16.855 9.395 -5.335 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -15.727 8.156 -7.482 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -16.099 7.280 -6.010 1.00 0.00 H new ATOM 1114 N ASP A 75 -18.707 8.646 -9.443 1.00 0.00 N ATOM 1115 CA ASP A 75 -19.169 9.309 -10.657 1.00 0.00 C ATOM 1116 C ASP A 75 -19.834 8.311 -11.601 1.00 0.00 C ATOM 1117 O ASP A 75 -20.888 8.589 -12.171 1.00 0.00 O ATOM 1118 CB ASP A 75 -18.001 9.998 -11.365 1.00 0.00 C ATOM 1119 CG ASP A 75 -18.293 10.280 -12.825 1.00 0.00 C ATOM 1120 OD1 ASP A 75 -18.863 11.352 -13.119 1.00 0.00 O ATOM 1121 OD2 ASP A 75 -17.954 9.429 -13.674 1.00 0.00 O ATOM 0 H ASP A 75 -17.705 8.459 -9.420 1.00 0.00 H new ATOM 0 HA ASP A 75 -19.905 10.061 -10.373 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -17.773 10.934 -10.856 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -17.113 9.370 -11.290 1.00 0.00 H new ATOM 1126 N GLY A 76 -19.209 7.148 -11.761 1.00 0.00 N ATOM 1127 CA GLY A 76 -19.755 6.128 -12.637 1.00 0.00 C ATOM 1128 C GLY A 76 -18.682 5.419 -13.439 1.00 0.00 C ATOM 1129 O GLY A 76 -18.894 5.066 -14.599 1.00 0.00 O ATOM 0 H GLY A 76 -18.335 6.894 -11.300 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -20.302 5.397 -12.042 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -20.472 6.585 -13.319 1.00 0.00 H new ATOM 1133 N LYS A 77 -17.524 5.210 -12.821 1.00 0.00 N ATOM 1134 CA LYS A 77 -16.412 4.538 -13.484 1.00 0.00 C ATOM 1135 C LYS A 77 -15.824 3.450 -12.591 1.00 0.00 C ATOM 1136 O LYS A 77 -15.872 3.546 -11.365 1.00 0.00 O ATOM 1137 CB LYS A 77 -15.327 5.551 -13.855 1.00 0.00 C ATOM 1138 CG LYS A 77 -14.425 5.088 -14.986 1.00 0.00 C ATOM 1139 CD LYS A 77 -15.185 4.979 -16.297 1.00 0.00 C ATOM 1140 CE LYS A 77 -14.280 5.245 -17.490 1.00 0.00 C ATOM 1141 NZ LYS A 77 -15.058 5.617 -18.704 1.00 0.00 N ATOM 0 H LYS A 77 -17.331 5.497 -11.861 1.00 0.00 H new ATOM 0 HA LYS A 77 -16.791 4.071 -14.393 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -15.801 6.490 -14.140 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -14.717 5.756 -12.975 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -13.597 5.787 -15.102 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -13.992 4.120 -14.734 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -15.621 3.984 -16.384 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -16.011 5.690 -16.300 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -13.583 6.047 -17.246 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -13.684 4.357 -17.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -14.405 5.790 -19.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -15.705 4.842 -18.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -15.608 6.479 -18.513 1.00 0.00 H new ATOM 1155 N VAL A 78 -15.268 2.416 -13.215 1.00 0.00 N ATOM 1156 CA VAL A 78 -14.668 1.311 -12.477 1.00 0.00 C ATOM 1157 C VAL A 78 -13.326 0.912 -13.081 1.00 0.00 C ATOM 1158 O VAL A 78 -13.269 0.350 -14.174 1.00 0.00 O ATOM 1159 CB VAL A 78 -15.595 0.081 -12.456 1.00 0.00 C ATOM 1160 CG1 VAL A 78 -14.982 -1.035 -11.625 1.00 0.00 C ATOM 1161 CG2 VAL A 78 -16.969 0.460 -11.925 1.00 0.00 C ATOM 0 H VAL A 78 -15.221 2.321 -14.229 1.00 0.00 H new ATOM 0 HA VAL A 78 -14.515 1.659 -11.455 1.00 0.00 H new ATOM 0 HB VAL A 78 -15.713 -0.282 -13.477 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -15.651 -1.896 -11.622 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -14.022 -1.323 -12.054 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -14.833 -0.688 -10.603 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -17.611 -0.420 -11.917 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -16.873 0.848 -10.911 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -17.409 1.224 -12.566 1.00 0.00 H new ATOM 1171 N GLU A 79 -12.248 1.206 -12.360 1.00 0.00 N ATOM 1172 CA GLU A 79 -10.906 0.878 -12.826 1.00 0.00 C ATOM 1173 C GLU A 79 -10.505 -0.527 -12.384 1.00 0.00 C ATOM 1174 O GLU A 79 -10.786 -0.939 -11.259 1.00 0.00 O ATOM 1175 CB GLU A 79 -9.895 1.898 -12.298 1.00 0.00 C ATOM 1176 CG GLU A 79 -9.750 3.125 -13.183 1.00 0.00 C ATOM 1177 CD GLU A 79 -9.373 4.367 -12.401 1.00 0.00 C ATOM 1178 OE1 GLU A 79 -8.534 4.257 -11.482 1.00 0.00 O ATOM 1179 OE2 GLU A 79 -9.916 5.449 -12.707 1.00 0.00 O ATOM 0 H GLU A 79 -12.278 1.670 -11.452 1.00 0.00 H new ATOM 0 HA GLU A 79 -10.909 0.911 -13.915 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -10.198 2.214 -11.300 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -8.923 1.415 -12.198 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -8.991 2.934 -13.941 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -10.688 3.302 -13.709 1.00 0.00 H new ATOM 1186 N ASN A 80 -9.847 -1.257 -13.278 1.00 0.00 N ATOM 1187 CA ASN A 80 -9.408 -2.616 -12.982 1.00 0.00 C ATOM 1188 C ASN A 80 -7.889 -2.727 -13.063 1.00 0.00 C ATOM 1189 O ASN A 80 -7.298 -2.549 -14.129 1.00 0.00 O ATOM 1190 CB ASN A 80 -10.056 -3.607 -13.952 1.00 0.00 C ATOM 1191 CG ASN A 80 -11.459 -3.192 -14.350 1.00 0.00 C ATOM 1192 OD1 ASN A 80 -11.654 -2.162 -14.995 1.00 0.00 O ATOM 1193 ND2 ASN A 80 -12.444 -3.995 -13.966 1.00 0.00 N ATOM 0 H ASN A 80 -9.606 -0.930 -14.214 1.00 0.00 H new ATOM 0 HA ASN A 80 -9.718 -2.858 -11.965 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -9.438 -3.693 -14.846 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -10.089 -4.594 -13.491 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -13.409 -3.768 -14.205 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -12.235 -4.839 -13.432 1.00 0.00 H new ATOM 1200 N LEU A 81 -7.262 -3.023 -11.930 1.00 0.00 N ATOM 1201 CA LEU A 81 -5.810 -3.159 -11.872 1.00 0.00 C ATOM 1202 C LEU A 81 -5.405 -4.623 -11.734 1.00 0.00 C ATOM 1203 O LEU A 81 -6.202 -5.461 -11.310 1.00 0.00 O ATOM 1204 CB LEU A 81 -5.249 -2.350 -10.701 1.00 0.00 C ATOM 1205 CG LEU A 81 -5.617 -0.866 -10.672 1.00 0.00 C ATOM 1206 CD1 LEU A 81 -5.577 -0.334 -9.248 1.00 0.00 C ATOM 1207 CD2 LEU A 81 -4.683 -0.068 -11.568 1.00 0.00 C ATOM 0 H LEU A 81 -7.736 -3.173 -11.039 1.00 0.00 H new ATOM 0 HA LEU A 81 -5.396 -2.773 -12.804 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -5.592 -2.807 -9.773 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -4.162 -2.434 -10.715 1.00 0.00 H new ATOM 0 HG LEU A 81 -6.633 -0.756 -11.050 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -5.842 0.723 -9.247 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.288 -0.886 -8.633 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -4.573 -0.457 -8.842 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -4.960 0.986 -11.535 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -3.657 -0.185 -11.220 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.762 -0.432 -12.592 1.00 0.00 H new ATOM 1219 N PHE A 82 -4.162 -4.924 -12.093 1.00 0.00 N ATOM 1220 CA PHE A 82 -3.650 -6.287 -12.009 1.00 0.00 C ATOM 1221 C PHE A 82 -2.213 -6.297 -11.496 1.00 0.00 C ATOM 1222 O PHE A 82 -1.580 -5.249 -11.370 1.00 0.00 O ATOM 1223 CB PHE A 82 -3.721 -6.966 -13.378 1.00 0.00 C ATOM 1224 CG PHE A 82 -5.037 -6.775 -14.075 1.00 0.00 C ATOM 1225 CD1 PHE A 82 -6.117 -7.591 -13.781 1.00 0.00 C ATOM 1226 CD2 PHE A 82 -5.195 -5.778 -15.024 1.00 0.00 C ATOM 1227 CE1 PHE A 82 -7.329 -7.417 -14.422 1.00 0.00 C ATOM 1228 CE2 PHE A 82 -6.405 -5.599 -15.668 1.00 0.00 C ATOM 1229 CZ PHE A 82 -7.474 -6.419 -15.366 1.00 0.00 C ATOM 0 H PHE A 82 -3.490 -4.242 -12.445 1.00 0.00 H new ATOM 0 HA PHE A 82 -4.272 -6.840 -11.305 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -2.924 -6.575 -14.010 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -3.536 -8.033 -13.255 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -6.011 -8.372 -13.043 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -4.363 -5.133 -15.264 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -8.163 -8.061 -14.185 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -6.514 -4.819 -16.407 1.00 0.00 H new ATOM 0 HZ PHE A 82 -8.421 -6.281 -15.866 1.00 0.00 H new ATOM 1239 N MET A 83 -1.705 -7.490 -11.203 1.00 0.00 N ATOM 1240 CA MET A 83 -0.342 -7.638 -10.705 1.00 0.00 C ATOM 1241 C MET A 83 0.605 -6.680 -11.421 1.00 0.00 C ATOM 1242 O MET A 83 0.761 -6.742 -12.640 1.00 0.00 O ATOM 1243 CB MET A 83 0.137 -9.079 -10.887 1.00 0.00 C ATOM 1244 CG MET A 83 1.472 -9.365 -10.220 1.00 0.00 C ATOM 1245 SD MET A 83 2.163 -10.959 -10.702 1.00 0.00 S ATOM 1246 CE MET A 83 3.710 -10.945 -9.800 1.00 0.00 C ATOM 0 H MET A 83 -2.216 -8.367 -11.302 1.00 0.00 H new ATOM 0 HA MET A 83 -0.341 -7.395 -9.642 1.00 0.00 H new ATOM 0 HB2 MET A 83 -0.615 -9.757 -10.482 1.00 0.00 H new ATOM 0 HB3 MET A 83 0.219 -9.294 -11.952 1.00 0.00 H new ATOM 0 HG2 MET A 83 2.178 -8.575 -10.476 1.00 0.00 H new ATOM 0 HG3 MET A 83 1.345 -9.341 -9.138 1.00 0.00 H new ATOM 0 HE1 MET A 83 3.955 -11.959 -9.483 1.00 0.00 H new ATOM 0 HE2 MET A 83 4.503 -10.564 -10.444 1.00 0.00 H new ATOM 0 HE3 MET A 83 3.614 -10.304 -8.924 1.00 0.00 H new ATOM 1256 N GLY A 84 1.236 -5.795 -10.655 1.00 0.00 N ATOM 1257 CA GLY A 84 2.160 -4.838 -11.235 1.00 0.00 C ATOM 1258 C GLY A 84 1.726 -3.403 -11.008 1.00 0.00 C ATOM 1259 O GLY A 84 2.541 -2.548 -10.667 1.00 0.00 O ATOM 0 H GLY A 84 1.124 -5.724 -9.644 1.00 0.00 H new ATOM 0 HA2 GLY A 84 3.150 -4.987 -10.805 1.00 0.00 H new ATOM 0 HA3 GLY A 84 2.246 -5.023 -12.306 1.00 0.00 H new ATOM 1263 N ASN A 85 0.437 -3.139 -11.200 1.00 0.00 N ATOM 1264 CA ASN A 85 -0.103 -1.797 -11.016 1.00 0.00 C ATOM 1265 C ASN A 85 0.014 -1.358 -9.560 1.00 0.00 C ATOM 1266 O ASN A 85 0.243 -2.177 -8.670 1.00 0.00 O ATOM 1267 CB ASN A 85 -1.567 -1.750 -11.459 1.00 0.00 C ATOM 1268 CG ASN A 85 -1.714 -1.711 -12.968 1.00 0.00 C ATOM 1269 OD1 ASN A 85 -2.112 -2.697 -13.589 1.00 0.00 O ATOM 1270 ND2 ASN A 85 -1.392 -0.570 -13.565 1.00 0.00 N ATOM 0 H ASN A 85 -0.252 -3.836 -11.483 1.00 0.00 H new ATOM 0 HA ASN A 85 0.479 -1.110 -11.631 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -2.090 -2.623 -11.068 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -2.046 -0.871 -11.027 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -1.470 -0.485 -14.578 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -1.067 0.222 -13.010 1.00 0.00 H new ATOM 1277 N SER A 86 -0.146 -0.060 -9.324 1.00 0.00 N ATOM 1278 CA SER A 86 -0.055 0.490 -7.977 1.00 0.00 C ATOM 1279 C SER A 86 -1.145 1.530 -7.739 1.00 0.00 C ATOM 1280 O SER A 86 -1.692 2.100 -8.684 1.00 0.00 O ATOM 1281 CB SER A 86 1.322 1.117 -7.750 1.00 0.00 C ATOM 1282 OG SER A 86 2.357 0.204 -8.072 1.00 0.00 O ATOM 0 H SER A 86 -0.339 0.631 -10.049 1.00 0.00 H new ATOM 0 HA SER A 86 -0.196 -0.327 -7.269 1.00 0.00 H new ATOM 0 HB2 SER A 86 1.422 2.015 -8.360 1.00 0.00 H new ATOM 0 HB3 SER A 86 1.417 1.427 -6.709 1.00 0.00 H new ATOM 0 HG SER A 86 3.106 0.326 -7.451 1.00 0.00 H new ATOM 1288 N PHE A 87 -1.457 1.773 -6.471 1.00 0.00 N ATOM 1289 CA PHE A 87 -2.482 2.744 -6.107 1.00 0.00 C ATOM 1290 C PHE A 87 -2.279 3.242 -4.679 1.00 0.00 C ATOM 1291 O PHE A 87 -1.622 2.588 -3.870 1.00 0.00 O ATOM 1292 CB PHE A 87 -3.874 2.125 -6.250 1.00 0.00 C ATOM 1293 CG PHE A 87 -4.102 0.947 -5.347 1.00 0.00 C ATOM 1294 CD1 PHE A 87 -4.440 1.133 -4.016 1.00 0.00 C ATOM 1295 CD2 PHE A 87 -3.979 -0.346 -5.829 1.00 0.00 C ATOM 1296 CE1 PHE A 87 -4.649 0.051 -3.183 1.00 0.00 C ATOM 1297 CE2 PHE A 87 -4.188 -1.432 -5.000 1.00 0.00 C ATOM 1298 CZ PHE A 87 -4.525 -1.233 -3.676 1.00 0.00 C ATOM 0 H PHE A 87 -1.014 1.310 -5.677 1.00 0.00 H new ATOM 0 HA PHE A 87 -2.398 3.594 -6.784 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -4.625 2.886 -6.038 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -4.020 1.813 -7.284 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -4.541 2.135 -3.626 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -3.717 -0.507 -6.864 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -4.909 0.209 -2.147 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -4.088 -2.435 -5.387 1.00 0.00 H new ATOM 0 HZ PHE A 87 -4.691 -2.080 -3.027 1.00 0.00 H new ATOM 1308 N GLY A 88 -2.847 4.405 -4.377 1.00 0.00 N ATOM 1309 CA GLY A 88 -2.717 4.972 -3.048 1.00 0.00 C ATOM 1310 C GLY A 88 -2.339 6.439 -3.077 1.00 0.00 C ATOM 1311 O GLY A 88 -3.170 7.295 -3.386 1.00 0.00 O ATOM 0 H GLY A 88 -3.395 4.965 -5.030 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -3.659 4.853 -2.512 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -1.962 4.417 -2.492 1.00 0.00 H new ATOM 1315 N ILE A 89 -1.084 6.733 -2.754 1.00 0.00 N ATOM 1316 CA ILE A 89 -0.599 8.107 -2.745 1.00 0.00 C ATOM 1317 C ILE A 89 0.573 8.283 -3.704 1.00 0.00 C ATOM 1318 O ILE A 89 0.990 7.337 -4.373 1.00 0.00 O ATOM 1319 CB ILE A 89 -0.163 8.540 -1.333 1.00 0.00 C ATOM 1320 CG1 ILE A 89 1.035 7.709 -0.868 1.00 0.00 C ATOM 1321 CG2 ILE A 89 -1.320 8.405 -0.355 1.00 0.00 C ATOM 1322 CD1 ILE A 89 1.937 8.438 0.102 1.00 0.00 C ATOM 0 H ILE A 89 -0.384 6.037 -2.495 1.00 0.00 H new ATOM 0 HA ILE A 89 -1.428 8.737 -3.070 1.00 0.00 H new ATOM 0 HB ILE A 89 0.136 9.587 -1.367 1.00 0.00 H new ATOM 0 HG12 ILE A 89 0.672 6.795 -0.397 1.00 0.00 H new ATOM 0 HG13 ILE A 89 1.618 7.409 -1.739 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -0.995 8.715 0.638 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -2.147 9.037 -0.680 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -1.649 7.366 -0.321 1.00 0.00 H new ATOM 0 HD11 ILE A 89 2.764 7.788 0.388 1.00 0.00 H new ATOM 0 HD12 ILE A 89 2.330 9.338 -0.372 1.00 0.00 H new ATOM 0 HD13 ILE A 89 1.369 8.714 0.990 1.00 0.00 H new ATOM 1334 N THR A 90 1.102 9.501 -3.766 1.00 0.00 N ATOM 1335 CA THR A 90 2.227 9.802 -4.642 1.00 0.00 C ATOM 1336 C THR A 90 3.508 10.008 -3.842 1.00 0.00 C ATOM 1337 O THR A 90 3.481 10.289 -2.643 1.00 0.00 O ATOM 1338 CB THR A 90 1.958 11.060 -5.490 1.00 0.00 C ATOM 1339 OG1 THR A 90 1.126 11.971 -4.765 1.00 0.00 O ATOM 1340 CG2 THR A 90 1.289 10.691 -6.806 1.00 0.00 C ATOM 0 H THR A 90 0.769 10.295 -3.220 1.00 0.00 H new ATOM 0 HA THR A 90 2.349 8.945 -5.304 1.00 0.00 H new ATOM 0 HB THR A 90 2.914 11.537 -5.707 1.00 0.00 H new ATOM 0 HG1 THR A 90 1.630 12.788 -4.568 1.00 0.00 H new ATOM 0 HG21 THR A 90 1.109 11.595 -7.388 1.00 0.00 H new ATOM 0 HG22 THR A 90 1.938 10.020 -7.369 1.00 0.00 H new ATOM 0 HG23 THR A 90 0.340 10.193 -6.605 1.00 0.00 H new ATOM 1348 N PRO A 91 4.658 9.866 -4.517 1.00 0.00 N ATOM 1349 CA PRO A 91 5.972 10.034 -3.888 1.00 0.00 C ATOM 1350 C PRO A 91 6.255 11.485 -3.516 1.00 0.00 C ATOM 1351 O PRO A 91 7.336 11.811 -3.025 1.00 0.00 O ATOM 1352 CB PRO A 91 6.946 9.558 -4.969 1.00 0.00 C ATOM 1353 CG PRO A 91 6.219 9.766 -6.252 1.00 0.00 C ATOM 1354 CD PRO A 91 4.765 9.532 -5.947 1.00 0.00 C ATOM 0 HA PRO A 91 6.050 9.481 -2.952 1.00 0.00 H new ATOM 0 HB2 PRO A 91 7.875 10.128 -4.944 1.00 0.00 H new ATOM 0 HB3 PRO A 91 7.211 8.510 -4.829 1.00 0.00 H new ATOM 0 HG2 PRO A 91 6.380 10.774 -6.633 1.00 0.00 H new ATOM 0 HG3 PRO A 91 6.573 9.076 -7.018 1.00 0.00 H new ATOM 0 HD2 PRO A 91 4.120 10.165 -6.557 1.00 0.00 H new ATOM 0 HD3 PRO A 91 4.475 8.499 -6.141 1.00 0.00 H new ATOM 1362 N THR A 92 5.277 12.354 -3.753 1.00 0.00 N ATOM 1363 CA THR A 92 5.422 13.771 -3.443 1.00 0.00 C ATOM 1364 C THR A 92 4.911 14.082 -2.041 1.00 0.00 C ATOM 1365 O THR A 92 3.823 13.650 -1.656 1.00 0.00 O ATOM 1366 CB THR A 92 4.667 14.648 -4.460 1.00 0.00 C ATOM 1367 OG1 THR A 92 3.278 14.301 -4.469 1.00 0.00 O ATOM 1368 CG2 THR A 92 5.247 14.479 -5.856 1.00 0.00 C ATOM 0 H THR A 92 4.376 12.101 -4.159 1.00 0.00 H new ATOM 0 HA THR A 92 6.486 14.000 -3.497 1.00 0.00 H new ATOM 0 HB THR A 92 4.779 15.690 -4.162 1.00 0.00 H new ATOM 0 HG1 THR A 92 3.014 13.984 -3.580 1.00 0.00 H new ATOM 0 HG21 THR A 92 4.698 15.108 -6.557 1.00 0.00 H new ATOM 0 HG22 THR A 92 6.297 14.772 -5.852 1.00 0.00 H new ATOM 0 HG23 THR A 92 5.162 13.436 -6.161 1.00 0.00 H new ATOM 1376 N LEU A 93 5.699 14.835 -1.282 1.00 0.00 N ATOM 1377 CA LEU A 93 5.325 15.206 0.078 1.00 0.00 C ATOM 1378 C LEU A 93 3.857 15.614 0.147 1.00 0.00 C ATOM 1379 O LEU A 93 3.231 15.537 1.204 1.00 0.00 O ATOM 1380 CB LEU A 93 6.209 16.351 0.577 1.00 0.00 C ATOM 1381 CG LEU A 93 7.627 15.968 1.002 1.00 0.00 C ATOM 1382 CD1 LEU A 93 8.445 17.212 1.312 1.00 0.00 C ATOM 1383 CD2 LEU A 93 7.590 15.039 2.207 1.00 0.00 C ATOM 0 H LEU A 93 6.601 15.201 -1.585 1.00 0.00 H new ATOM 0 HA LEU A 93 5.472 14.337 0.719 1.00 0.00 H new ATOM 0 HB2 LEU A 93 6.277 17.101 -0.211 1.00 0.00 H new ATOM 0 HB3 LEU A 93 5.713 16.824 1.424 1.00 0.00 H new ATOM 0 HG LEU A 93 8.103 15.441 0.176 1.00 0.00 H new ATOM 0 HD11 LEU A 93 9.451 16.920 1.613 1.00 0.00 H new ATOM 0 HD12 LEU A 93 8.500 17.842 0.424 1.00 0.00 H new ATOM 0 HD13 LEU A 93 7.971 17.767 2.122 1.00 0.00 H new ATOM 0 HD21 LEU A 93 8.608 14.777 2.496 1.00 0.00 H new ATOM 0 HD22 LEU A 93 7.095 15.541 3.038 1.00 0.00 H new ATOM 0 HD23 LEU A 93 7.041 14.133 1.951 1.00 0.00 H new ATOM 1395 N ASP A 94 3.315 16.045 -0.986 1.00 0.00 N ATOM 1396 CA ASP A 94 1.919 16.462 -1.055 1.00 0.00 C ATOM 1397 C ASP A 94 1.000 15.379 -0.499 1.00 0.00 C ATOM 1398 O ASP A 94 1.437 14.262 -0.218 1.00 0.00 O ATOM 1399 CB ASP A 94 1.532 16.784 -2.499 1.00 0.00 C ATOM 1400 CG ASP A 94 2.011 18.155 -2.935 1.00 0.00 C ATOM 1401 OD1 ASP A 94 3.235 18.325 -3.117 1.00 0.00 O ATOM 1402 OD2 ASP A 94 1.163 19.058 -3.094 1.00 0.00 O ATOM 0 H ASP A 94 3.820 16.115 -1.869 1.00 0.00 H new ATOM 0 HA ASP A 94 1.803 17.359 -0.447 1.00 0.00 H new ATOM 0 HB2 ASP A 94 1.952 16.028 -3.162 1.00 0.00 H new ATOM 0 HB3 ASP A 94 0.448 16.731 -2.602 1.00 0.00 H new ATOM 1407 N LYS A 95 -0.275 15.716 -0.340 1.00 0.00 N ATOM 1408 CA LYS A 95 -1.257 14.773 0.182 1.00 0.00 C ATOM 1409 C LYS A 95 -2.455 14.659 -0.755 1.00 0.00 C ATOM 1410 O LYS A 95 -2.905 15.653 -1.324 1.00 0.00 O ATOM 1411 CB LYS A 95 -1.724 15.210 1.573 1.00 0.00 C ATOM 1412 CG LYS A 95 -2.623 16.434 1.556 1.00 0.00 C ATOM 1413 CD LYS A 95 -2.441 17.277 2.808 1.00 0.00 C ATOM 1414 CE LYS A 95 -3.095 16.626 4.017 1.00 0.00 C ATOM 1415 NZ LYS A 95 -2.986 17.480 5.232 1.00 0.00 N ATOM 0 H LYS A 95 -0.653 16.636 -0.565 1.00 0.00 H new ATOM 0 HA LYS A 95 -0.781 13.795 0.255 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -2.257 14.384 2.044 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -0.851 15.419 2.191 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -2.402 17.037 0.675 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -3.664 16.121 1.475 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -1.378 17.420 3.001 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -2.871 18.266 2.648 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -4.146 16.433 3.802 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -2.626 15.661 4.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -3.443 17.002 6.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -1.983 17.644 5.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -3.456 18.392 5.059 1.00 0.00 H new ATOM 1429 N GLN A 96 -2.967 13.442 -0.909 1.00 0.00 N ATOM 1430 CA GLN A 96 -4.113 13.201 -1.777 1.00 0.00 C ATOM 1431 C GLN A 96 -5.213 12.454 -1.031 1.00 0.00 C ATOM 1432 O GLN A 96 -4.953 11.779 -0.034 1.00 0.00 O ATOM 1433 CB GLN A 96 -3.686 12.404 -3.011 1.00 0.00 C ATOM 1434 CG GLN A 96 -2.359 12.856 -3.598 1.00 0.00 C ATOM 1435 CD GLN A 96 -1.176 12.112 -3.009 1.00 0.00 C ATOM 1436 OE1 GLN A 96 -0.898 10.972 -3.381 1.00 0.00 O ATOM 1437 NE2 GLN A 96 -0.473 12.756 -2.085 1.00 0.00 N ATOM 0 H GLN A 96 -2.607 12.609 -0.444 1.00 0.00 H new ATOM 0 HA GLN A 96 -4.506 14.167 -2.095 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -3.616 11.349 -2.746 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -4.459 12.490 -3.774 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -2.375 12.709 -4.678 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -2.234 13.925 -3.424 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -0.740 13.700 -1.807 1.00 0.00 H new ATOM 0 HE22 GLN A 96 0.334 12.306 -1.653 1.00 0.00 H new ATOM 1446 N TYR A 97 -6.443 12.580 -1.518 1.00 0.00 N ATOM 1447 CA TYR A 97 -7.583 11.919 -0.895 1.00 0.00 C ATOM 1448 C TYR A 97 -8.286 10.996 -1.886 1.00 0.00 C ATOM 1449 O TYR A 97 -8.682 11.419 -2.972 1.00 0.00 O ATOM 1450 CB TYR A 97 -8.571 12.957 -0.359 1.00 0.00 C ATOM 1451 CG TYR A 97 -7.904 14.134 0.317 1.00 0.00 C ATOM 1452 CD1 TYR A 97 -6.851 13.946 1.203 1.00 0.00 C ATOM 1453 CD2 TYR A 97 -8.328 15.434 0.069 1.00 0.00 C ATOM 1454 CE1 TYR A 97 -6.240 15.018 1.824 1.00 0.00 C ATOM 1455 CE2 TYR A 97 -7.722 16.512 0.684 1.00 0.00 C ATOM 1456 CZ TYR A 97 -6.679 16.299 1.561 1.00 0.00 C ATOM 1457 OH TYR A 97 -6.072 17.370 2.176 1.00 0.00 O ATOM 0 H TYR A 97 -6.675 13.134 -2.342 1.00 0.00 H new ATOM 0 HA TYR A 97 -7.213 11.317 -0.065 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -9.185 13.322 -1.183 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -9.243 12.474 0.350 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -6.504 12.944 1.410 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -9.145 15.604 -0.616 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -5.423 14.854 2.511 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -8.063 17.516 0.479 1.00 0.00 H new ATOM 0 HH TYR A 97 -6.499 18.201 1.882 1.00 0.00 H new ATOM 1467 N MET A 98 -8.438 9.733 -1.503 1.00 0.00 N ATOM 1468 CA MET A 98 -9.095 8.749 -2.356 1.00 0.00 C ATOM 1469 C MET A 98 -10.369 9.324 -2.966 1.00 0.00 C ATOM 1470 O MET A 98 -11.169 9.956 -2.276 1.00 0.00 O ATOM 1471 CB MET A 98 -9.422 7.487 -1.556 1.00 0.00 C ATOM 1472 CG MET A 98 -9.558 6.241 -2.417 1.00 0.00 C ATOM 1473 SD MET A 98 -8.075 5.901 -3.385 1.00 0.00 S ATOM 1474 CE MET A 98 -8.697 4.681 -4.539 1.00 0.00 C ATOM 0 H MET A 98 -8.115 9.366 -0.608 1.00 0.00 H new ATOM 0 HA MET A 98 -8.411 8.490 -3.164 1.00 0.00 H new ATOM 0 HB2 MET A 98 -8.640 7.323 -0.815 1.00 0.00 H new ATOM 0 HB3 MET A 98 -10.351 7.644 -1.009 1.00 0.00 H new ATOM 0 HG2 MET A 98 -9.775 5.385 -1.778 1.00 0.00 H new ATOM 0 HG3 MET A 98 -10.407 6.360 -3.090 1.00 0.00 H new ATOM 0 HE1 MET A 98 -7.994 3.850 -4.604 1.00 0.00 H new ATOM 0 HE2 MET A 98 -9.663 4.313 -4.194 1.00 0.00 H new ATOM 0 HE3 MET A 98 -8.813 5.136 -5.523 1.00 0.00 H new ATOM 1484 N HIS A 99 -10.552 9.100 -4.264 1.00 0.00 N ATOM 1485 CA HIS A 99 -11.730 9.596 -4.967 1.00 0.00 C ATOM 1486 C HIS A 99 -12.643 8.444 -5.376 1.00 0.00 C ATOM 1487 O HIS A 99 -13.401 8.552 -6.339 1.00 0.00 O ATOM 1488 CB HIS A 99 -11.314 10.396 -6.201 1.00 0.00 C ATOM 1489 CG HIS A 99 -11.073 11.848 -5.921 1.00 0.00 C ATOM 1490 ND1 HIS A 99 -12.007 12.662 -5.315 1.00 0.00 N ATOM 1491 CD2 HIS A 99 -9.996 12.630 -6.166 1.00 0.00 C ATOM 1492 CE1 HIS A 99 -11.515 13.883 -5.201 1.00 0.00 C ATOM 1493 NE2 HIS A 99 -10.296 13.890 -5.709 1.00 0.00 N ATOM 0 H HIS A 99 -9.900 8.578 -4.850 1.00 0.00 H new ATOM 0 HA HIS A 99 -12.280 10.249 -4.289 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -10.406 9.959 -6.618 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -12.090 10.305 -6.961 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -9.073 12.321 -6.634 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -12.023 14.731 -4.766 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -9.678 14.700 -5.755 1.00 0.00 H new ATOM 1502 N GLY A 100 -12.563 7.341 -4.638 1.00 0.00 N ATOM 1503 CA GLY A 100 -13.387 6.185 -4.941 1.00 0.00 C ATOM 1504 C GLY A 100 -13.293 5.111 -3.875 1.00 0.00 C ATOM 1505 O GLY A 100 -12.922 5.390 -2.735 1.00 0.00 O ATOM 0 H GLY A 100 -11.943 7.227 -3.836 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -14.425 6.500 -5.045 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -13.083 5.768 -5.901 1.00 0.00 H new ATOM 1509 N ILE A 101 -13.630 3.880 -4.246 1.00 0.00 N ATOM 1510 CA ILE A 101 -13.582 2.761 -3.314 1.00 0.00 C ATOM 1511 C ILE A 101 -12.882 1.558 -3.934 1.00 0.00 C ATOM 1512 O ILE A 101 -13.274 1.078 -4.998 1.00 0.00 O ATOM 1513 CB ILE A 101 -14.995 2.343 -2.863 1.00 0.00 C ATOM 1514 CG1 ILE A 101 -15.702 3.513 -2.176 1.00 0.00 C ATOM 1515 CG2 ILE A 101 -14.919 1.143 -1.932 1.00 0.00 C ATOM 1516 CD1 ILE A 101 -17.210 3.392 -2.177 1.00 0.00 C ATOM 0 H ILE A 101 -13.939 3.633 -5.186 1.00 0.00 H new ATOM 0 HA ILE A 101 -13.017 3.098 -2.445 1.00 0.00 H new ATOM 0 HB ILE A 101 -15.573 2.060 -3.743 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -15.352 3.585 -1.146 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -15.420 4.441 -2.674 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -15.925 0.859 -1.622 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -14.450 0.308 -2.453 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -14.327 1.401 -1.054 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -17.645 4.256 -1.674 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -17.571 3.351 -3.205 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -17.502 2.482 -1.653 1.00 0.00 H new ATOM 1528 N VAL A 102 -11.843 1.072 -3.262 1.00 0.00 N ATOM 1529 CA VAL A 102 -11.089 -0.078 -3.745 1.00 0.00 C ATOM 1530 C VAL A 102 -11.585 -1.369 -3.104 1.00 0.00 C ATOM 1531 O VAL A 102 -11.812 -1.427 -1.895 1.00 0.00 O ATOM 1532 CB VAL A 102 -9.583 0.078 -3.461 1.00 0.00 C ATOM 1533 CG1 VAL A 102 -8.793 -1.023 -4.150 1.00 0.00 C ATOM 1534 CG2 VAL A 102 -9.098 1.451 -3.902 1.00 0.00 C ATOM 0 H VAL A 102 -11.504 1.458 -2.381 1.00 0.00 H new ATOM 0 HA VAL A 102 -11.244 -0.128 -4.823 1.00 0.00 H new ATOM 0 HB VAL A 102 -9.422 -0.011 -2.387 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -7.731 -0.896 -3.938 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -9.124 -1.994 -3.781 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -8.957 -0.969 -5.226 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -8.032 1.544 -3.694 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -9.271 1.572 -4.971 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -9.643 2.222 -3.357 1.00 0.00 H new ATOM 1544 N ARG A 103 -11.750 -2.404 -3.922 1.00 0.00 N ATOM 1545 CA ARG A 103 -12.220 -3.695 -3.434 1.00 0.00 C ATOM 1546 C ARG A 103 -11.579 -4.837 -4.218 1.00 0.00 C ATOM 1547 O ARG A 103 -11.562 -4.828 -5.449 1.00 0.00 O ATOM 1548 CB ARG A 103 -13.743 -3.781 -3.541 1.00 0.00 C ATOM 1549 CG ARG A 103 -14.473 -2.796 -2.642 1.00 0.00 C ATOM 1550 CD ARG A 103 -15.837 -3.326 -2.226 1.00 0.00 C ATOM 1551 NE ARG A 103 -16.770 -2.247 -1.911 1.00 0.00 N ATOM 1552 CZ ARG A 103 -17.990 -2.450 -1.427 1.00 0.00 C ATOM 1553 NH1 ARG A 103 -18.422 -3.683 -1.204 1.00 0.00 N ATOM 1554 NH2 ARG A 103 -18.781 -1.417 -1.164 1.00 0.00 N ATOM 0 H ARG A 103 -11.565 -2.373 -4.925 1.00 0.00 H new ATOM 0 HA ARG A 103 -11.931 -3.787 -2.387 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -14.037 -3.603 -4.575 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -14.060 -4.793 -3.290 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -13.872 -2.598 -1.754 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -14.594 -1.847 -3.163 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -16.248 -3.938 -3.029 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -15.725 -3.974 -1.357 1.00 0.00 H new ATOM 0 HE ARG A 103 -16.468 -1.286 -2.071 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -17.817 -4.479 -1.404 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -19.360 -3.835 -0.832 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -18.452 -0.467 -1.334 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -19.718 -1.574 -0.792 1.00 0.00 H new ATOM 1568 N THR A 104 -11.053 -5.822 -3.496 1.00 0.00 N ATOM 1569 CA THR A 104 -10.410 -6.970 -4.122 1.00 0.00 C ATOM 1570 C THR A 104 -11.414 -7.796 -4.917 1.00 0.00 C ATOM 1571 O THR A 104 -12.606 -7.809 -4.609 1.00 0.00 O ATOM 1572 CB THR A 104 -9.733 -7.874 -3.075 1.00 0.00 C ATOM 1573 OG1 THR A 104 -10.665 -8.210 -2.041 1.00 0.00 O ATOM 1574 CG2 THR A 104 -8.520 -7.185 -2.468 1.00 0.00 C ATOM 0 H THR A 104 -11.060 -5.847 -2.476 1.00 0.00 H new ATOM 0 HA THR A 104 -9.650 -6.578 -4.798 1.00 0.00 H new ATOM 0 HB THR A 104 -9.402 -8.785 -3.574 1.00 0.00 H new ATOM 0 HG1 THR A 104 -10.227 -8.786 -1.380 1.00 0.00 H new ATOM 0 HG21 THR A 104 -8.059 -7.843 -1.731 1.00 0.00 H new ATOM 0 HG22 THR A 104 -7.799 -6.958 -3.254 1.00 0.00 H new ATOM 0 HG23 THR A 104 -8.832 -6.260 -1.983 1.00 0.00 H new ATOM 1582 N LYS A 105 -10.926 -8.486 -5.942 1.00 0.00 N ATOM 1583 CA LYS A 105 -11.780 -9.318 -6.782 1.00 0.00 C ATOM 1584 C LYS A 105 -11.655 -10.788 -6.397 1.00 0.00 C ATOM 1585 O LYS A 105 -12.569 -11.580 -6.628 1.00 0.00 O ATOM 1586 CB LYS A 105 -11.415 -9.133 -8.257 1.00 0.00 C ATOM 1587 CG LYS A 105 -12.097 -7.942 -8.908 1.00 0.00 C ATOM 1588 CD LYS A 105 -13.440 -8.328 -9.506 1.00 0.00 C ATOM 1589 CE LYS A 105 -13.274 -9.009 -10.855 1.00 0.00 C ATOM 1590 NZ LYS A 105 -14.584 -9.414 -11.437 1.00 0.00 N ATOM 0 H LYS A 105 -9.942 -8.486 -6.212 1.00 0.00 H new ATOM 0 HA LYS A 105 -12.813 -9.007 -6.628 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -10.335 -9.014 -8.343 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -11.681 -10.037 -8.805 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -12.240 -7.154 -8.169 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -11.454 -7.534 -9.688 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -13.965 -8.995 -8.823 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -14.058 -7.437 -9.620 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -12.764 -8.334 -11.542 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -12.639 -9.888 -10.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -14.428 -9.875 -12.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -15.059 -10.078 -10.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -15.181 -8.572 -11.568 1.00 0.00 H new ATOM 1604 N VAL A 106 -10.520 -11.147 -5.807 1.00 0.00 N ATOM 1605 CA VAL A 106 -10.277 -12.522 -5.387 1.00 0.00 C ATOM 1606 C VAL A 106 -9.691 -12.572 -3.980 1.00 0.00 C ATOM 1607 O VAL A 106 -9.460 -11.536 -3.356 1.00 0.00 O ATOM 1608 CB VAL A 106 -9.322 -13.244 -6.355 1.00 0.00 C ATOM 1609 CG1 VAL A 106 -9.847 -13.167 -7.781 1.00 0.00 C ATOM 1610 CG2 VAL A 106 -7.922 -12.655 -6.261 1.00 0.00 C ATOM 0 H VAL A 106 -9.753 -10.504 -5.609 1.00 0.00 H new ATOM 0 HA VAL A 106 -11.241 -13.030 -5.394 1.00 0.00 H new ATOM 0 HB VAL A 106 -9.269 -14.295 -6.069 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -9.159 -13.683 -8.450 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -10.828 -13.640 -7.834 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -9.931 -12.123 -8.082 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -7.260 -13.177 -6.952 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -7.954 -11.597 -6.520 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -7.547 -12.769 -5.244 1.00 0.00 H new ATOM 1620 N ASP A 107 -9.453 -13.782 -3.487 1.00 0.00 N ATOM 1621 CA ASP A 107 -8.892 -13.968 -2.154 1.00 0.00 C ATOM 1622 C ASP A 107 -7.390 -14.224 -2.227 1.00 0.00 C ATOM 1623 O ASP A 107 -6.844 -14.472 -3.303 1.00 0.00 O ATOM 1624 CB ASP A 107 -9.586 -15.131 -1.443 1.00 0.00 C ATOM 1625 CG ASP A 107 -9.977 -16.242 -2.397 1.00 0.00 C ATOM 1626 OD1 ASP A 107 -10.806 -15.989 -3.297 1.00 0.00 O ATOM 1627 OD2 ASP A 107 -9.454 -17.366 -2.245 1.00 0.00 O ATOM 0 H ASP A 107 -9.640 -14.649 -3.991 1.00 0.00 H new ATOM 0 HA ASP A 107 -9.059 -13.053 -1.586 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -8.923 -15.531 -0.676 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -10.477 -14.763 -0.934 1.00 0.00 H new ATOM 1632 N ASP A 108 -6.728 -14.160 -1.078 1.00 0.00 N ATOM 1633 CA ASP A 108 -5.288 -14.385 -1.011 1.00 0.00 C ATOM 1634 C ASP A 108 -4.531 -13.269 -1.724 1.00 0.00 C ATOM 1635 O ASP A 108 -3.477 -13.501 -2.317 1.00 0.00 O ATOM 1636 CB ASP A 108 -4.932 -15.736 -1.631 1.00 0.00 C ATOM 1637 CG ASP A 108 -3.600 -16.266 -1.139 1.00 0.00 C ATOM 1638 OD1 ASP A 108 -3.273 -16.043 0.046 1.00 0.00 O ATOM 1639 OD2 ASP A 108 -2.884 -16.905 -1.938 1.00 0.00 O ATOM 0 H ASP A 108 -7.165 -13.954 -0.180 1.00 0.00 H new ATOM 0 HA ASP A 108 -4.994 -14.387 0.038 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -5.715 -16.457 -1.398 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -4.902 -15.638 -2.716 1.00 0.00 H new ATOM 1644 N CYS A 109 -5.075 -12.058 -1.662 1.00 0.00 N ATOM 1645 CA CYS A 109 -4.451 -10.906 -2.303 1.00 0.00 C ATOM 1646 C CYS A 109 -3.309 -10.362 -1.451 1.00 0.00 C ATOM 1647 O CYS A 109 -3.418 -10.285 -0.227 1.00 0.00 O ATOM 1648 CB CYS A 109 -5.489 -9.809 -2.548 1.00 0.00 C ATOM 1649 SG CYS A 109 -6.438 -10.019 -4.072 1.00 0.00 S ATOM 0 H CYS A 109 -5.946 -11.849 -1.175 1.00 0.00 H new ATOM 0 HA CYS A 109 -4.043 -11.230 -3.260 1.00 0.00 H new ATOM 0 HB2 CYS A 109 -6.178 -9.781 -1.704 1.00 0.00 H new ATOM 0 HB3 CYS A 109 -4.982 -8.844 -2.578 1.00 0.00 H new ATOM 0 HG CYS A 109 -7.573 -10.591 -3.801 1.00 0.00 H new ATOM 1655 N GLN A 110 -2.216 -9.987 -2.106 1.00 0.00 N ATOM 1656 CA GLN A 110 -1.053 -9.452 -1.408 1.00 0.00 C ATOM 1657 C GLN A 110 -0.851 -7.977 -1.737 1.00 0.00 C ATOM 1658 O GLN A 110 -0.878 -7.581 -2.903 1.00 0.00 O ATOM 1659 CB GLN A 110 0.201 -10.246 -1.779 1.00 0.00 C ATOM 1660 CG GLN A 110 0.331 -11.563 -1.031 1.00 0.00 C ATOM 1661 CD GLN A 110 1.268 -12.535 -1.719 1.00 0.00 C ATOM 1662 OE1 GLN A 110 2.013 -12.161 -2.626 1.00 0.00 O ATOM 1663 NE2 GLN A 110 1.236 -13.792 -1.292 1.00 0.00 N ATOM 0 H GLN A 110 -2.111 -10.044 -3.119 1.00 0.00 H new ATOM 0 HA GLN A 110 -1.230 -9.545 -0.336 1.00 0.00 H new ATOM 0 HB2 GLN A 110 0.191 -10.446 -2.850 1.00 0.00 H new ATOM 0 HB3 GLN A 110 1.081 -9.635 -1.577 1.00 0.00 H new ATOM 0 HG2 GLN A 110 0.693 -11.369 -0.021 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -0.654 -12.020 -0.934 1.00 0.00 H new ATOM 0 HE21 GLN A 110 0.603 -14.058 -0.538 1.00 0.00 H new ATOM 0 HE22 GLN A 110 1.844 -14.491 -1.718 1.00 0.00 H new ATOM 1672 N PHE A 111 -0.648 -7.167 -0.703 1.00 0.00 N ATOM 1673 CA PHE A 111 -0.443 -5.735 -0.882 1.00 0.00 C ATOM 1674 C PHE A 111 0.659 -5.223 0.040 1.00 0.00 C ATOM 1675 O PHE A 111 0.929 -5.810 1.089 1.00 0.00 O ATOM 1676 CB PHE A 111 -1.743 -4.974 -0.613 1.00 0.00 C ATOM 1677 CG PHE A 111 -2.916 -5.496 -1.392 1.00 0.00 C ATOM 1678 CD1 PHE A 111 -2.995 -5.305 -2.762 1.00 0.00 C ATOM 1679 CD2 PHE A 111 -3.940 -6.179 -0.755 1.00 0.00 C ATOM 1680 CE1 PHE A 111 -4.073 -5.784 -3.482 1.00 0.00 C ATOM 1681 CE2 PHE A 111 -5.021 -6.661 -1.469 1.00 0.00 C ATOM 1682 CZ PHE A 111 -5.087 -6.464 -2.835 1.00 0.00 C ATOM 0 H PHE A 111 -0.621 -7.479 0.268 1.00 0.00 H new ATOM 0 HA PHE A 111 -0.137 -5.564 -1.914 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -1.972 -5.027 0.451 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -1.595 -3.922 -0.856 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -2.205 -4.775 -3.273 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -3.893 -6.337 0.312 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -4.123 -5.627 -4.549 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -5.813 -7.191 -0.960 1.00 0.00 H new ATOM 0 HZ PHE A 111 -5.930 -6.841 -3.396 1.00 0.00 H new ATOM 1692 N VAL A 112 1.294 -4.125 -0.358 1.00 0.00 N ATOM 1693 CA VAL A 112 2.367 -3.534 0.433 1.00 0.00 C ATOM 1694 C VAL A 112 2.095 -2.060 0.712 1.00 0.00 C ATOM 1695 O VAL A 112 1.590 -1.337 -0.147 1.00 0.00 O ATOM 1696 CB VAL A 112 3.727 -3.667 -0.278 1.00 0.00 C ATOM 1697 CG1 VAL A 112 3.680 -3.012 -1.650 1.00 0.00 C ATOM 1698 CG2 VAL A 112 4.834 -3.063 0.573 1.00 0.00 C ATOM 0 H VAL A 112 1.084 -3.627 -1.223 1.00 0.00 H new ATOM 0 HA VAL A 112 2.403 -4.080 1.376 1.00 0.00 H new ATOM 0 HB VAL A 112 3.943 -4.726 -0.416 1.00 0.00 H new ATOM 0 HG11 VAL A 112 4.650 -3.116 -2.136 1.00 0.00 H new ATOM 0 HG12 VAL A 112 2.915 -3.495 -2.258 1.00 0.00 H new ATOM 0 HG13 VAL A 112 3.441 -1.954 -1.540 1.00 0.00 H new ATOM 0 HG21 VAL A 112 5.788 -3.166 0.056 1.00 0.00 H new ATOM 0 HG22 VAL A 112 4.626 -2.007 0.744 1.00 0.00 H new ATOM 0 HG23 VAL A 112 4.882 -3.583 1.530 1.00 0.00 H new ATOM 1708 N CYS A 113 2.433 -1.621 1.920 1.00 0.00 N ATOM 1709 CA CYS A 113 2.225 -0.232 2.314 1.00 0.00 C ATOM 1710 C CYS A 113 3.556 0.459 2.594 1.00 0.00 C ATOM 1711 O CYS A 113 4.522 -0.180 3.013 1.00 0.00 O ATOM 1712 CB CYS A 113 1.329 -0.160 3.551 1.00 0.00 C ATOM 1713 SG CYS A 113 -0.385 -0.652 3.250 1.00 0.00 S ATOM 0 H CYS A 113 2.852 -2.206 2.643 1.00 0.00 H new ATOM 0 HA CYS A 113 1.735 0.285 1.489 1.00 0.00 H new ATOM 0 HB2 CYS A 113 1.748 -0.799 4.328 1.00 0.00 H new ATOM 0 HB3 CYS A 113 1.341 0.860 3.936 1.00 0.00 H new ATOM 0 HG CYS A 113 -0.950 0.207 2.454 1.00 0.00 H new ATOM 1719 N ILE A 114 3.599 1.766 2.359 1.00 0.00 N ATOM 1720 CA ILE A 114 4.811 2.543 2.585 1.00 0.00 C ATOM 1721 C ILE A 114 4.480 3.954 3.058 1.00 0.00 C ATOM 1722 O ILE A 114 3.726 4.677 2.408 1.00 0.00 O ATOM 1723 CB ILE A 114 5.671 2.630 1.310 1.00 0.00 C ATOM 1724 CG1 ILE A 114 6.105 1.232 0.866 1.00 0.00 C ATOM 1725 CG2 ILE A 114 6.884 3.517 1.549 1.00 0.00 C ATOM 1726 CD1 ILE A 114 6.564 1.171 -0.575 1.00 0.00 C ATOM 0 H ILE A 114 2.808 2.309 2.012 1.00 0.00 H new ATOM 0 HA ILE A 114 5.376 2.026 3.360 1.00 0.00 H new ATOM 0 HB ILE A 114 5.072 3.074 0.514 1.00 0.00 H new ATOM 0 HG12 ILE A 114 6.914 0.889 1.511 1.00 0.00 H new ATOM 0 HG13 ILE A 114 5.273 0.541 1.003 1.00 0.00 H new ATOM 0 HG21 ILE A 114 7.482 3.569 0.639 1.00 0.00 H new ATOM 0 HG22 ILE A 114 6.554 4.519 1.824 1.00 0.00 H new ATOM 0 HG23 ILE A 114 7.487 3.100 2.356 1.00 0.00 H new ATOM 0 HD11 ILE A 114 6.857 0.150 -0.821 1.00 0.00 H new ATOM 0 HD12 ILE A 114 5.750 1.483 -1.230 1.00 0.00 H new ATOM 0 HD13 ILE A 114 7.416 1.836 -0.714 1.00 0.00 H new ATOM 1738 N ALA A 115 5.050 4.340 4.195 1.00 0.00 N ATOM 1739 CA ALA A 115 4.818 5.666 4.754 1.00 0.00 C ATOM 1740 C ALA A 115 5.221 6.756 3.767 1.00 0.00 C ATOM 1741 O ALA A 115 6.256 6.657 3.109 1.00 0.00 O ATOM 1742 CB ALA A 115 5.578 5.829 6.062 1.00 0.00 C ATOM 0 H ALA A 115 5.676 3.753 4.747 1.00 0.00 H new ATOM 0 HA ALA A 115 3.751 5.767 4.952 1.00 0.00 H new ATOM 0 HB1 ALA A 115 5.395 6.824 6.468 1.00 0.00 H new ATOM 0 HB2 ALA A 115 5.239 5.078 6.776 1.00 0.00 H new ATOM 0 HB3 ALA A 115 6.645 5.702 5.881 1.00 0.00 H new ATOM 1748 N GLN A 116 4.397 7.794 3.669 1.00 0.00 N ATOM 1749 CA GLN A 116 4.669 8.902 2.760 1.00 0.00 C ATOM 1750 C GLN A 116 6.094 9.415 2.938 1.00 0.00 C ATOM 1751 O GLN A 116 6.917 9.313 2.029 1.00 0.00 O ATOM 1752 CB GLN A 116 3.672 10.038 2.994 1.00 0.00 C ATOM 1753 CG GLN A 116 4.041 11.329 2.281 1.00 0.00 C ATOM 1754 CD GLN A 116 3.128 12.481 2.649 1.00 0.00 C ATOM 1755 OE1 GLN A 116 2.260 12.868 1.722 1.00 0.00 O flip ATOM 1756 NE2 GLN A 116 3.201 13.018 3.755 1.00 0.00 N flip ATOM 0 H GLN A 116 3.536 7.891 4.207 1.00 0.00 H new ATOM 0 HA GLN A 116 4.559 8.537 1.739 1.00 0.00 H new ATOM 0 HB2 GLN A 116 2.685 9.718 2.660 1.00 0.00 H new ATOM 0 HB3 GLN A 116 3.600 10.232 4.064 1.00 0.00 H new ATOM 0 HG2 GLN A 116 5.070 11.593 2.526 1.00 0.00 H new ATOM 0 HG3 GLN A 116 4.001 11.169 1.204 1.00 0.00 H new ATOM 0 HE21 GLN A 116 3.883 12.688 4.438 1.00 0.00 H new ATOM 0 HE22 GLN A 116 2.579 13.792 3.988 1.00 0.00 H new ATOM 1765 N GLN A 117 6.376 9.966 4.114 1.00 0.00 N ATOM 1766 CA GLN A 117 7.702 10.496 4.410 1.00 0.00 C ATOM 1767 C GLN A 117 8.790 9.585 3.850 1.00 0.00 C ATOM 1768 O GLN A 117 9.618 10.013 3.046 1.00 0.00 O ATOM 1769 CB GLN A 117 7.884 10.660 5.920 1.00 0.00 C ATOM 1770 CG GLN A 117 7.383 11.993 6.452 1.00 0.00 C ATOM 1771 CD GLN A 117 8.418 13.094 6.333 1.00 0.00 C ATOM 1772 OE1 GLN A 117 9.547 12.956 6.805 1.00 0.00 O ATOM 1773 NE2 GLN A 117 8.038 14.198 5.699 1.00 0.00 N ATOM 0 H GLN A 117 5.705 10.057 4.877 1.00 0.00 H new ATOM 0 HA GLN A 117 7.790 11.472 3.933 1.00 0.00 H new ATOM 0 HB2 GLN A 117 7.358 9.854 6.431 1.00 0.00 H new ATOM 0 HB3 GLN A 117 8.941 10.555 6.164 1.00 0.00 H new ATOM 0 HG2 GLN A 117 6.485 12.283 5.907 1.00 0.00 H new ATOM 0 HG3 GLN A 117 7.098 11.879 7.498 1.00 0.00 H new ATOM 0 HE21 GLN A 117 7.093 14.270 5.323 1.00 0.00 H new ATOM 0 HE22 GLN A 117 8.692 14.973 5.588 1.00 0.00 H new ATOM 1782 N ASP A 118 8.782 8.329 4.281 1.00 0.00 N ATOM 1783 CA ASP A 118 9.767 7.357 3.823 1.00 0.00 C ATOM 1784 C ASP A 118 9.671 7.155 2.314 1.00 0.00 C ATOM 1785 O ASP A 118 10.651 6.796 1.662 1.00 0.00 O ATOM 1786 CB ASP A 118 9.571 6.021 4.542 1.00 0.00 C ATOM 1787 CG ASP A 118 9.715 6.147 6.046 1.00 0.00 C ATOM 1788 OD1 ASP A 118 8.855 6.800 6.672 1.00 0.00 O ATOM 1789 OD2 ASP A 118 10.689 5.592 6.597 1.00 0.00 O ATOM 0 H ASP A 118 8.104 7.960 4.947 1.00 0.00 H new ATOM 0 HA ASP A 118 10.758 7.745 4.057 1.00 0.00 H new ATOM 0 HB2 ASP A 118 8.583 5.626 4.306 1.00 0.00 H new ATOM 0 HB3 ASP A 118 10.299 5.301 4.169 1.00 0.00 H new ATOM 1794 N TYR A 119 8.483 7.387 1.766 1.00 0.00 N ATOM 1795 CA TYR A 119 8.258 7.228 0.335 1.00 0.00 C ATOM 1796 C TYR A 119 8.868 8.388 -0.446 1.00 0.00 C ATOM 1797 O TYR A 119 9.233 8.242 -1.612 1.00 0.00 O ATOM 1798 CB TYR A 119 6.759 7.133 0.041 1.00 0.00 C ATOM 1799 CG TYR A 119 6.446 6.662 -1.362 1.00 0.00 C ATOM 1800 CD1 TYR A 119 7.144 5.604 -1.932 1.00 0.00 C ATOM 1801 CD2 TYR A 119 5.454 7.274 -2.116 1.00 0.00 C ATOM 1802 CE1 TYR A 119 6.862 5.171 -3.213 1.00 0.00 C ATOM 1803 CE2 TYR A 119 5.164 6.847 -3.397 1.00 0.00 C ATOM 1804 CZ TYR A 119 5.871 5.795 -3.942 1.00 0.00 C ATOM 1805 OH TYR A 119 5.586 5.367 -5.218 1.00 0.00 O ATOM 0 H TYR A 119 7.661 7.686 2.292 1.00 0.00 H new ATOM 0 HA TYR A 119 8.744 6.305 0.017 1.00 0.00 H new ATOM 0 HB2 TYR A 119 6.300 6.450 0.756 1.00 0.00 H new ATOM 0 HB3 TYR A 119 6.304 8.111 0.197 1.00 0.00 H new ATOM 0 HD1 TYR A 119 7.920 5.112 -1.364 1.00 0.00 H new ATOM 0 HD2 TYR A 119 4.899 8.099 -1.693 1.00 0.00 H new ATOM 0 HE1 TYR A 119 7.415 4.348 -3.642 1.00 0.00 H new ATOM 0 HE2 TYR A 119 4.388 7.334 -3.969 1.00 0.00 H new ATOM 0 HH TYR A 119 5.280 4.436 -5.190 1.00 0.00 H new ATOM 1815 N TRP A 120 8.975 9.540 0.207 1.00 0.00 N ATOM 1816 CA TRP A 120 9.541 10.726 -0.424 1.00 0.00 C ATOM 1817 C TRP A 120 10.982 10.945 0.023 1.00 0.00 C ATOM 1818 O TRP A 120 11.595 11.962 -0.304 1.00 0.00 O ATOM 1819 CB TRP A 120 8.698 11.958 -0.091 1.00 0.00 C ATOM 1820 CG TRP A 120 9.345 13.248 -0.496 1.00 0.00 C ATOM 1821 CD1 TRP A 120 9.247 13.869 -1.708 1.00 0.00 C ATOM 1822 CD2 TRP A 120 10.191 14.073 0.313 1.00 0.00 C ATOM 1823 NE1 TRP A 120 9.981 15.030 -1.702 1.00 0.00 N ATOM 1824 CE2 TRP A 120 10.569 15.179 -0.474 1.00 0.00 C ATOM 1825 CE3 TRP A 120 10.663 13.987 1.625 1.00 0.00 C ATOM 1826 CZ2 TRP A 120 11.398 16.187 0.010 1.00 0.00 C ATOM 1827 CZ3 TRP A 120 11.486 14.988 2.103 1.00 0.00 C ATOM 1828 CH2 TRP A 120 11.846 16.077 1.298 1.00 0.00 C ATOM 0 H TRP A 120 8.677 9.677 1.173 1.00 0.00 H new ATOM 0 HA TRP A 120 9.534 10.571 -1.503 1.00 0.00 H new ATOM 0 HB2 TRP A 120 7.731 11.873 -0.588 1.00 0.00 H new ATOM 0 HB3 TRP A 120 8.505 11.978 0.982 1.00 0.00 H new ATOM 0 HD1 TRP A 120 8.676 13.501 -2.548 1.00 0.00 H new ATOM 0 HE1 TRP A 120 10.073 15.677 -2.485 1.00 0.00 H new ATOM 0 HE3 TRP A 120 10.389 13.153 2.254 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 11.678 17.026 -0.609 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 11.859 14.930 3.115 1.00 0.00 H new ATOM 0 HH2 TRP A 120 12.490 16.844 1.702 1.00 0.00 H new ATOM 1839 N ARG A 121 11.517 9.986 0.772 1.00 0.00 N ATOM 1840 CA ARG A 121 12.887 10.076 1.264 1.00 0.00 C ATOM 1841 C ARG A 121 13.829 9.235 0.408 1.00 0.00 C ATOM 1842 O ARG A 121 15.036 9.473 0.379 1.00 0.00 O ATOM 1843 CB ARG A 121 12.958 9.617 2.722 1.00 0.00 C ATOM 1844 CG ARG A 121 12.669 10.723 3.724 1.00 0.00 C ATOM 1845 CD ARG A 121 13.369 10.470 5.050 1.00 0.00 C ATOM 1846 NE ARG A 121 12.926 9.227 5.674 1.00 0.00 N ATOM 1847 CZ ARG A 121 13.256 8.867 6.910 1.00 0.00 C ATOM 1848 NH1 ARG A 121 14.028 9.651 7.649 1.00 0.00 N ATOM 1849 NH2 ARG A 121 12.813 7.719 7.408 1.00 0.00 N ATOM 0 H ARG A 121 11.023 9.138 1.051 1.00 0.00 H new ATOM 0 HA ARG A 121 13.201 11.118 1.202 1.00 0.00 H new ATOM 0 HB2 ARG A 121 12.246 8.806 2.874 1.00 0.00 H new ATOM 0 HB3 ARG A 121 13.950 9.211 2.918 1.00 0.00 H new ATOM 0 HG2 ARG A 121 12.995 11.680 3.316 1.00 0.00 H new ATOM 0 HG3 ARG A 121 11.594 10.796 3.887 1.00 0.00 H new ATOM 0 HD2 ARG A 121 14.446 10.431 4.889 1.00 0.00 H new ATOM 0 HD3 ARG A 121 13.177 11.303 5.726 1.00 0.00 H new ATOM 0 HE ARG A 121 12.331 8.601 5.132 1.00 0.00 H new ATOM 0 HH11 ARG A 121 14.371 10.534 7.269 1.00 0.00 H new ATOM 0 HH12 ARG A 121 14.279 9.372 8.597 1.00 0.00 H new ATOM 0 HH21 ARG A 121 12.219 7.113 6.842 1.00 0.00 H new ATOM 0 HH22 ARG A 121 13.066 7.443 8.357 1.00 0.00 H new ATOM 1863 N ILE A 122 13.268 8.251 -0.287 1.00 0.00 N ATOM 1864 CA ILE A 122 14.058 7.375 -1.143 1.00 0.00 C ATOM 1865 C ILE A 122 14.021 7.845 -2.593 1.00 0.00 C ATOM 1866 O ILE A 122 15.011 8.357 -3.117 1.00 0.00 O ATOM 1867 CB ILE A 122 13.558 5.920 -1.074 1.00 0.00 C ATOM 1868 CG1 ILE A 122 13.488 5.450 0.380 1.00 0.00 C ATOM 1869 CG2 ILE A 122 14.466 5.009 -1.888 1.00 0.00 C ATOM 1870 CD1 ILE A 122 12.871 4.078 0.543 1.00 0.00 C ATOM 0 H ILE A 122 12.270 8.041 -0.274 1.00 0.00 H new ATOM 0 HA ILE A 122 15.084 7.416 -0.776 1.00 0.00 H new ATOM 0 HB ILE A 122 12.555 5.875 -1.499 1.00 0.00 H new ATOM 0 HG12 ILE A 122 14.494 5.439 0.799 1.00 0.00 H new ATOM 0 HG13 ILE A 122 12.910 6.170 0.959 1.00 0.00 H new ATOM 0 HG21 ILE A 122 14.100 3.984 -1.830 1.00 0.00 H new ATOM 0 HG22 ILE A 122 14.470 5.334 -2.928 1.00 0.00 H new ATOM 0 HG23 ILE A 122 15.480 5.055 -1.490 1.00 0.00 H new ATOM 0 HD11 ILE A 122 12.854 3.810 1.599 1.00 0.00 H new ATOM 0 HD12 ILE A 122 11.852 4.089 0.155 1.00 0.00 H new ATOM 0 HD13 ILE A 122 13.461 3.346 -0.008 1.00 0.00 H new ATOM 1882 N LEU A 123 12.872 7.670 -3.237 1.00 0.00 N ATOM 1883 CA LEU A 123 12.704 8.079 -4.627 1.00 0.00 C ATOM 1884 C LEU A 123 13.301 9.462 -4.864 1.00 0.00 C ATOM 1885 O LEU A 123 13.981 9.693 -5.863 1.00 0.00 O ATOM 1886 CB LEU A 123 11.221 8.079 -5.004 1.00 0.00 C ATOM 1887 CG LEU A 123 10.589 6.707 -5.243 1.00 0.00 C ATOM 1888 CD1 LEU A 123 10.027 6.145 -3.946 1.00 0.00 C ATOM 1889 CD2 LEU A 123 9.501 6.798 -6.303 1.00 0.00 C ATOM 0 H LEU A 123 12.043 7.248 -2.819 1.00 0.00 H new ATOM 0 HA LEU A 123 13.232 7.363 -5.257 1.00 0.00 H new ATOM 0 HB2 LEU A 123 10.665 8.580 -4.211 1.00 0.00 H new ATOM 0 HB3 LEU A 123 11.096 8.677 -5.907 1.00 0.00 H new ATOM 0 HG LEU A 123 11.363 6.029 -5.603 1.00 0.00 H new ATOM 0 HD11 LEU A 123 9.581 5.168 -4.136 1.00 0.00 H new ATOM 0 HD12 LEU A 123 10.830 6.042 -3.216 1.00 0.00 H new ATOM 0 HD13 LEU A 123 9.266 6.821 -3.556 1.00 0.00 H new ATOM 0 HD21 LEU A 123 9.063 5.812 -6.460 1.00 0.00 H new ATOM 0 HD22 LEU A 123 8.727 7.491 -5.972 1.00 0.00 H new ATOM 0 HD23 LEU A 123 9.933 7.156 -7.238 1.00 0.00 H new ATOM 1901 N ASN A 124 13.042 10.379 -3.938 1.00 0.00 N ATOM 1902 CA ASN A 124 13.555 11.740 -4.045 1.00 0.00 C ATOM 1903 C ASN A 124 15.045 11.787 -3.720 1.00 0.00 C ATOM 1904 O ASN A 124 15.678 10.753 -3.505 1.00 0.00 O ATOM 1905 CB ASN A 124 12.787 12.672 -3.106 1.00 0.00 C ATOM 1906 CG ASN A 124 11.333 12.828 -3.506 1.00 0.00 C ATOM 1907 OD1 ASN A 124 10.541 11.788 -3.274 1.00 0.00 O flip ATOM 1908 ND2 ASN A 124 10.927 13.871 -4.019 1.00 0.00 N flip ATOM 0 H ASN A 124 12.480 10.205 -3.105 1.00 0.00 H new ATOM 0 HA ASN A 124 13.415 12.075 -5.073 1.00 0.00 H new ATOM 0 HB2 ASN A 124 12.841 12.283 -2.089 1.00 0.00 H new ATOM 0 HB3 ASN A 124 13.266 13.651 -3.099 1.00 0.00 H new ATOM 0 HD21 ASN A 124 11.571 14.645 -4.179 1.00 0.00 H new ATOM 0 HD22 ASN A 124 9.946 13.961 -4.284 1.00 0.00 H new ATOM 1915 N HIS A 125 15.600 12.995 -3.686 1.00 0.00 N ATOM 1916 CA HIS A 125 17.016 13.177 -3.387 1.00 0.00 C ATOM 1917 C HIS A 125 17.201 14.052 -2.151 1.00 0.00 C ATOM 1918 O HIS A 125 17.966 15.016 -2.169 1.00 0.00 O ATOM 1919 CB HIS A 125 17.735 13.803 -4.582 1.00 0.00 C ATOM 1920 CG HIS A 125 17.912 12.863 -5.734 1.00 0.00 C ATOM 1921 ND1 HIS A 125 19.021 12.058 -5.885 1.00 0.00 N ATOM 1922 CD2 HIS A 125 17.112 12.602 -6.794 1.00 0.00 C ATOM 1923 CE1 HIS A 125 18.897 11.343 -6.988 1.00 0.00 C ATOM 1924 NE2 HIS A 125 17.747 11.654 -7.559 1.00 0.00 N ATOM 0 H HIS A 125 15.091 13.861 -3.862 1.00 0.00 H new ATOM 0 HA HIS A 125 17.449 12.197 -3.185 1.00 0.00 H new ATOM 0 HB2 HIS A 125 17.173 14.674 -4.918 1.00 0.00 H new ATOM 0 HB3 HIS A 125 18.714 14.159 -4.261 1.00 0.00 H new ATOM 0 HD2 HIS A 125 16.153 13.055 -7.000 1.00 0.00 H new ATOM 0 HE1 HIS A 125 19.614 10.626 -7.360 1.00 0.00 H new ATOM 0 HE2 HIS A 125 17.389 11.255 -8.427 1.00 0.00 H new