USER MOD reduce.3.24.130724 H: found=0, std=0, add=905, rem=0, adj=24 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 90 THR OG1 : rot -82:sc= -1.39! USER MOD Set 1.2: A 92 THR OG1 : rot 180:sc= 0.00244 USER MOD Set 1.3: A 96 GLN : amide:sc= -0.517 K(o=-1.9,f=-10!) USER MOD Set 2.1: A 18 MET CE :methyl 161:sc= -1.58 (180deg=-0.301) USER MOD Set 2.2: A 39 MET CE :methyl -130:sc= -0.469 (180deg=-0.98) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 HIS : no HE2:sc= -0.602! C(o=-0.6!,f=-4.5!) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 27 MET CE :methyl 178:sc= 0 (180deg=-0.00416) USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.149 USER MOD Single : A 29 MET CE :methyl 177:sc= 0 (180deg=-0.0258) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 36 CYS SG : rot 129:sc= -5.28! 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) USER MOD Single : A 60 SER OG : rot 28:sc= 1.08 USER MOD Single : A 62 TYR OH : rot 180:sc= -0.175 USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=0) 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= 0.0485 K(o=0.074,f=-0.51) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= 0 X(o=0,f=-0.064) USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 ASN : amide:sc= 0.841 K(o=0.84,f=-5!) USER MOD Single : A 86 SER OG : rot 180:sc= 0 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 -159:sc= -0.106 (180deg=-1.34) USER MOD Single : A 99 HIS : no HD1:sc= -0.0382 X(o=-0.038,f=0) USER MOD Single : A 104 THR OG1 : rot 180:sc= 0.362 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 CYS SG : rot 105:sc= -1.36 USER MOD Single : A 110 GLN : amide:sc= -0.0608 K(o=-0.061,f=-1.8!) USER MOD Single : A 113 CYS SG : rot -27:sc= -1.38! USER MOD Single : A 116 GLN : amide:sc= 0.107 X(o=0.11,f=0) USER MOD Single : A 117 GLN : amide:sc= -0.0542 K(o=-0.054,f=-1.2) USER MOD Single : A 119 TYR OH : rot 180:sc= 0 USER MOD Single : A 124 ASN : amide:sc= -6.4! C(o=-6.4!,f=-3.6!) USER MOD Single : A 125 HIS : no HE2:sc= -0.798 K(o=-0.8,f=-1.5) USER MOD ----------------------------------------------------------------- ATOM 102 N ILE A 11 15.753 -9.087 1.391 1.00 0.00 N ATOM 103 CA ILE A 11 15.779 -7.976 0.448 1.00 0.00 C ATOM 104 C ILE A 11 16.163 -8.451 -0.950 1.00 0.00 C ATOM 105 O ILE A 11 15.386 -8.318 -1.895 1.00 0.00 O ATOM 106 CB ILE A 11 16.766 -6.882 0.895 1.00 0.00 C ATOM 107 CG1 ILE A 11 16.311 -6.263 2.218 1.00 0.00 C ATOM 108 CG2 ILE A 11 16.893 -5.812 -0.180 1.00 0.00 C ATOM 109 CD1 ILE A 11 17.349 -5.366 2.854 1.00 0.00 C ATOM 0 HA ILE A 11 14.773 -7.558 0.424 1.00 0.00 H new ATOM 0 HB ILE A 11 17.745 -7.337 1.046 1.00 0.00 H new ATOM 0 HG12 ILE A 11 15.401 -5.688 2.047 1.00 0.00 H new ATOM 0 HG13 ILE A 11 16.057 -7.062 2.915 1.00 0.00 H new ATOM 0 HG21 ILE A 11 17.594 -5.046 0.151 1.00 0.00 H new ATOM 0 HG22 ILE A 11 17.258 -6.264 -1.102 1.00 0.00 H new ATOM 0 HG23 ILE A 11 15.918 -5.359 -0.359 1.00 0.00 H new ATOM 0 HD11 ILE A 11 16.958 -4.962 3.788 1.00 0.00 H new ATOM 0 HD12 ILE A 11 18.252 -5.942 3.057 1.00 0.00 H new ATOM 0 HD13 ILE A 11 17.586 -4.546 2.176 1.00 0.00 H new ATOM 121 N GLU A 12 17.364 -9.007 -1.072 1.00 0.00 N ATOM 122 CA GLU A 12 17.849 -9.502 -2.354 1.00 0.00 C ATOM 123 C GLU A 12 16.764 -10.294 -3.078 1.00 0.00 C ATOM 124 O GLU A 12 16.637 -10.219 -4.299 1.00 0.00 O ATOM 125 CB GLU A 12 19.087 -10.379 -2.152 1.00 0.00 C ATOM 126 CG GLU A 12 20.311 -9.608 -1.691 1.00 0.00 C ATOM 127 CD GLU A 12 21.594 -10.403 -1.843 1.00 0.00 C ATOM 128 OE1 GLU A 12 21.659 -11.254 -2.754 1.00 0.00 O ATOM 129 OE2 GLU A 12 22.531 -10.172 -1.051 1.00 0.00 O ATOM 0 H GLU A 12 18.019 -9.126 -0.299 1.00 0.00 H new ATOM 0 HA GLU A 12 18.117 -8.642 -2.968 1.00 0.00 H new ATOM 0 HB2 GLU A 12 18.858 -11.152 -1.419 1.00 0.00 H new ATOM 0 HB3 GLU A 12 19.319 -10.886 -3.088 1.00 0.00 H new ATOM 0 HG2 GLU A 12 20.391 -8.684 -2.264 1.00 0.00 H new ATOM 0 HG3 GLU A 12 20.185 -9.325 -0.646 1.00 0.00 H new ATOM 136 N GLN A 13 15.984 -11.052 -2.314 1.00 0.00 N ATOM 137 CA GLN A 13 14.910 -11.858 -2.882 1.00 0.00 C ATOM 138 C GLN A 13 13.798 -10.973 -3.434 1.00 0.00 C ATOM 139 O GLN A 13 13.264 -11.229 -4.514 1.00 0.00 O ATOM 140 CB GLN A 13 14.344 -12.809 -1.826 1.00 0.00 C ATOM 141 CG GLN A 13 15.117 -14.112 -1.704 1.00 0.00 C ATOM 142 CD GLN A 13 14.242 -15.272 -1.270 1.00 0.00 C ATOM 143 OE1 GLN A 13 13.655 -15.251 -0.188 1.00 0.00 O ATOM 144 NE2 GLN A 13 14.149 -16.292 -2.115 1.00 0.00 N ATOM 0 H GLN A 13 16.076 -11.125 -1.301 1.00 0.00 H new ATOM 0 HA GLN A 13 15.325 -12.443 -3.703 1.00 0.00 H new ATOM 0 HB2 GLN A 13 14.342 -12.305 -0.859 1.00 0.00 H new ATOM 0 HB3 GLN A 13 13.306 -13.034 -2.070 1.00 0.00 H new ATOM 0 HG2 GLN A 13 15.577 -14.348 -2.664 1.00 0.00 H new ATOM 0 HG3 GLN A 13 15.926 -13.984 -0.985 1.00 0.00 H new ATOM 0 HE21 GLN A 13 14.653 -16.267 -3.002 1.00 0.00 H new ATOM 0 HE22 GLN A 13 13.574 -17.100 -1.878 1.00 0.00 H new ATOM 153 N LEU A 14 13.453 -9.930 -2.686 1.00 0.00 N ATOM 154 CA LEU A 14 12.403 -9.005 -3.101 1.00 0.00 C ATOM 155 C LEU A 14 12.797 -8.271 -4.378 1.00 0.00 C ATOM 156 O LEU A 14 12.125 -8.385 -5.405 1.00 0.00 O ATOM 157 CB LEU A 14 12.116 -7.997 -1.987 1.00 0.00 C ATOM 158 CG LEU A 14 11.117 -8.443 -0.918 1.00 0.00 C ATOM 159 CD1 LEU A 14 11.444 -7.798 0.420 1.00 0.00 C ATOM 160 CD2 LEU A 14 9.695 -8.106 -1.343 1.00 0.00 C ATOM 0 H LEU A 14 13.884 -9.704 -1.790 1.00 0.00 H new ATOM 0 HA LEU A 14 11.501 -9.583 -3.301 1.00 0.00 H new ATOM 0 HB2 LEU A 14 13.057 -7.751 -1.496 1.00 0.00 H new ATOM 0 HB3 LEU A 14 11.745 -7.079 -2.442 1.00 0.00 H new ATOM 0 HG LEU A 14 11.193 -9.524 -0.804 1.00 0.00 H new ATOM 0 HD11 LEU A 14 10.723 -8.127 1.168 1.00 0.00 H new ATOM 0 HD12 LEU A 14 12.447 -8.091 0.730 1.00 0.00 H new ATOM 0 HD13 LEU A 14 11.397 -6.713 0.322 1.00 0.00 H new ATOM 0 HD21 LEU A 14 8.998 -8.430 -0.571 1.00 0.00 H new ATOM 0 HD22 LEU A 14 9.603 -7.029 -1.485 1.00 0.00 H new ATOM 0 HD23 LEU A 14 9.464 -8.617 -2.278 1.00 0.00 H new ATOM 172 N LEU A 15 13.890 -7.520 -4.309 1.00 0.00 N ATOM 173 CA LEU A 15 14.376 -6.769 -5.461 1.00 0.00 C ATOM 174 C LEU A 15 14.103 -7.523 -6.759 1.00 0.00 C ATOM 175 O LEU A 15 13.411 -7.023 -7.644 1.00 0.00 O ATOM 176 CB LEU A 15 15.875 -6.496 -5.323 1.00 0.00 C ATOM 177 CG LEU A 15 16.265 -5.342 -4.398 1.00 0.00 C ATOM 178 CD1 LEU A 15 16.337 -4.037 -5.176 1.00 0.00 C ATOM 179 CD2 LEU A 15 15.277 -5.225 -3.246 1.00 0.00 C ATOM 0 H LEU A 15 14.457 -7.415 -3.467 1.00 0.00 H new ATOM 0 HA LEU A 15 13.842 -5.820 -5.494 1.00 0.00 H new ATOM 0 HB2 LEU A 15 16.358 -7.404 -4.961 1.00 0.00 H new ATOM 0 HB3 LEU A 15 16.280 -6.293 -6.315 1.00 0.00 H new ATOM 0 HG LEU A 15 17.252 -5.550 -3.984 1.00 0.00 H new ATOM 0 HD11 LEU A 15 16.616 -3.227 -4.502 1.00 0.00 H new ATOM 0 HD12 LEU A 15 17.083 -4.125 -5.966 1.00 0.00 H new ATOM 0 HD13 LEU A 15 15.364 -3.823 -5.618 1.00 0.00 H new ATOM 0 HD21 LEU A 15 15.570 -4.399 -2.598 1.00 0.00 H new ATOM 0 HD22 LEU A 15 14.278 -5.040 -3.641 1.00 0.00 H new ATOM 0 HD23 LEU A 15 15.275 -6.152 -2.673 1.00 0.00 H new ATOM 191 N GLU A 16 14.650 -8.730 -6.861 1.00 0.00 N ATOM 192 CA GLU A 16 14.464 -9.554 -8.050 1.00 0.00 C ATOM 193 C GLU A 16 13.016 -9.499 -8.528 1.00 0.00 C ATOM 194 O GLU A 16 12.749 -9.366 -9.723 1.00 0.00 O ATOM 195 CB GLU A 16 14.862 -11.003 -7.761 1.00 0.00 C ATOM 196 CG GLU A 16 16.305 -11.159 -7.309 1.00 0.00 C ATOM 197 CD GLU A 16 17.277 -11.224 -8.471 1.00 0.00 C ATOM 198 OE1 GLU A 16 17.280 -10.285 -9.295 1.00 0.00 O ATOM 199 OE2 GLU A 16 18.034 -12.214 -8.557 1.00 0.00 O ATOM 0 H GLU A 16 15.225 -9.159 -6.136 1.00 0.00 H new ATOM 0 HA GLU A 16 15.105 -9.159 -8.838 1.00 0.00 H new ATOM 0 HB2 GLU A 16 14.203 -11.405 -6.991 1.00 0.00 H new ATOM 0 HB3 GLU A 16 14.705 -11.600 -8.659 1.00 0.00 H new ATOM 0 HG2 GLU A 16 16.572 -10.322 -6.663 1.00 0.00 H new ATOM 0 HG3 GLU A 16 16.398 -12.066 -6.711 1.00 0.00 H new ATOM 206 N PHE A 17 12.084 -9.604 -7.587 1.00 0.00 N ATOM 207 CA PHE A 17 10.662 -9.568 -7.911 1.00 0.00 C ATOM 208 C PHE A 17 10.233 -8.161 -8.318 1.00 0.00 C ATOM 209 O PHE A 17 9.462 -7.985 -9.261 1.00 0.00 O ATOM 210 CB PHE A 17 9.833 -10.041 -6.715 1.00 0.00 C ATOM 211 CG PHE A 17 8.454 -9.446 -6.670 1.00 0.00 C ATOM 212 CD1 PHE A 17 7.536 -9.714 -7.673 1.00 0.00 C ATOM 213 CD2 PHE A 17 8.076 -8.620 -5.624 1.00 0.00 C ATOM 214 CE1 PHE A 17 6.267 -9.169 -7.634 1.00 0.00 C ATOM 215 CE2 PHE A 17 6.807 -8.073 -5.580 1.00 0.00 C ATOM 216 CZ PHE A 17 5.902 -8.347 -6.586 1.00 0.00 C ATOM 0 H PHE A 17 12.287 -9.715 -6.594 1.00 0.00 H new ATOM 0 HA PHE A 17 10.489 -10.239 -8.752 1.00 0.00 H new ATOM 0 HB2 PHE A 17 9.751 -11.127 -6.747 1.00 0.00 H new ATOM 0 HB3 PHE A 17 10.360 -9.788 -5.795 1.00 0.00 H new ATOM 0 HD1 PHE A 17 7.816 -10.356 -8.495 1.00 0.00 H new ATOM 0 HD2 PHE A 17 8.780 -8.401 -4.835 1.00 0.00 H new ATOM 0 HE1 PHE A 17 5.561 -9.386 -8.422 1.00 0.00 H new ATOM 0 HE2 PHE A 17 6.524 -7.431 -4.759 1.00 0.00 H new ATOM 0 HZ PHE A 17 4.911 -7.919 -6.553 1.00 0.00 H new ATOM 226 N MET A 18 10.737 -7.164 -7.599 1.00 0.00 N ATOM 227 CA MET A 18 10.406 -5.773 -7.886 1.00 0.00 C ATOM 228 C MET A 18 10.875 -5.379 -9.283 1.00 0.00 C ATOM 229 O MET A 18 10.497 -4.328 -9.802 1.00 0.00 O ATOM 230 CB MET A 18 11.041 -4.850 -6.843 1.00 0.00 C ATOM 231 CG MET A 18 10.229 -4.729 -5.564 1.00 0.00 C ATOM 232 SD MET A 18 11.239 -4.280 -4.140 1.00 0.00 S ATOM 233 CE MET A 18 11.031 -2.501 -4.125 1.00 0.00 C ATOM 0 H MET A 18 11.376 -7.293 -6.814 1.00 0.00 H new ATOM 0 HA MET A 18 9.322 -5.667 -7.843 1.00 0.00 H new ATOM 0 HB2 MET A 18 12.036 -5.222 -6.598 1.00 0.00 H new ATOM 0 HB3 MET A 18 11.169 -3.859 -7.277 1.00 0.00 H new ATOM 0 HG2 MET A 18 9.450 -3.980 -5.703 1.00 0.00 H new ATOM 0 HG3 MET A 18 9.728 -5.677 -5.365 1.00 0.00 H new ATOM 0 HE1 MET A 18 11.298 -2.112 -3.143 1.00 0.00 H new ATOM 0 HE2 MET A 18 11.676 -2.053 -4.881 1.00 0.00 H new ATOM 0 HE3 MET A 18 9.992 -2.254 -4.343 1.00 0.00 H new ATOM 243 N HIS A 19 11.701 -6.228 -9.886 1.00 0.00 N ATOM 244 CA HIS A 19 12.221 -5.968 -11.224 1.00 0.00 C ATOM 245 C HIS A 19 11.243 -6.452 -12.291 1.00 0.00 C ATOM 246 O HIS A 19 11.062 -5.802 -13.320 1.00 0.00 O ATOM 247 CB HIS A 19 13.575 -6.653 -11.409 1.00 0.00 C ATOM 248 CG HIS A 19 14.281 -6.253 -12.668 1.00 0.00 C ATOM 249 ND1 HIS A 19 13.649 -6.166 -13.891 1.00 0.00 N ATOM 250 CD2 HIS A 19 15.573 -5.914 -12.889 1.00 0.00 C ATOM 251 CE1 HIS A 19 14.522 -5.793 -14.810 1.00 0.00 C ATOM 252 NE2 HIS A 19 15.696 -5.632 -14.228 1.00 0.00 N ATOM 0 H HIS A 19 12.025 -7.101 -9.470 1.00 0.00 H new ATOM 0 HA HIS A 19 12.348 -4.891 -11.335 1.00 0.00 H new ATOM 0 HB2 HIS A 19 14.211 -6.419 -10.555 1.00 0.00 H new ATOM 0 HB3 HIS A 19 13.429 -7.733 -11.411 1.00 0.00 H new ATOM 0 HD1 HIS A 19 12.662 -6.359 -14.060 1.00 0.00 H new ATOM 0 HD2 HIS A 19 16.360 -5.873 -12.151 1.00 0.00 H new ATOM 0 HE1 HIS A 19 14.311 -5.645 -15.859 1.00 0.00 H new ATOM 261 N GLN A 20 10.616 -7.596 -12.037 1.00 0.00 N ATOM 262 CA GLN A 20 9.658 -8.166 -12.976 1.00 0.00 C ATOM 263 C GLN A 20 8.377 -7.339 -13.018 1.00 0.00 C ATOM 264 O GLN A 20 7.489 -7.591 -13.833 1.00 0.00 O ATOM 265 CB GLN A 20 9.333 -9.611 -12.593 1.00 0.00 C ATOM 266 CG GLN A 20 8.457 -9.730 -11.356 1.00 0.00 C ATOM 267 CD GLN A 20 7.571 -10.960 -11.385 1.00 0.00 C ATOM 268 OE1 GLN A 20 6.360 -10.862 -11.582 1.00 0.00 O ATOM 269 NE2 GLN A 20 8.172 -12.128 -11.188 1.00 0.00 N ATOM 0 H GLN A 20 10.754 -8.146 -11.189 1.00 0.00 H new ATOM 0 HA GLN A 20 10.110 -8.153 -13.968 1.00 0.00 H new ATOM 0 HB2 GLN A 20 8.832 -10.096 -13.431 1.00 0.00 H new ATOM 0 HB3 GLN A 20 10.264 -10.151 -12.422 1.00 0.00 H new ATOM 0 HG2 GLN A 20 9.090 -9.763 -10.469 1.00 0.00 H new ATOM 0 HG3 GLN A 20 7.834 -8.840 -11.270 1.00 0.00 H new ATOM 0 HE21 GLN A 20 9.179 -12.163 -11.028 1.00 0.00 H new ATOM 0 HE22 GLN A 20 7.627 -12.990 -11.196 1.00 0.00 H new ATOM 278 N LEU A 21 8.288 -6.351 -12.134 1.00 0.00 N ATOM 279 CA LEU A 21 7.116 -5.486 -12.069 1.00 0.00 C ATOM 280 C LEU A 21 7.421 -4.111 -12.653 1.00 0.00 C ATOM 281 O LEU A 21 8.457 -3.507 -12.376 1.00 0.00 O ATOM 282 CB LEU A 21 6.642 -5.344 -10.621 1.00 0.00 C ATOM 283 CG LEU A 21 6.176 -6.630 -9.939 1.00 0.00 C ATOM 284 CD1 LEU A 21 5.540 -6.320 -8.592 1.00 0.00 C ATOM 285 CD2 LEU A 21 5.200 -7.384 -10.830 1.00 0.00 C ATOM 0 H LEU A 21 9.014 -6.129 -11.452 1.00 0.00 H new ATOM 0 HA LEU A 21 6.324 -5.944 -12.661 1.00 0.00 H new ATOM 0 HB2 LEU A 21 7.456 -4.919 -10.033 1.00 0.00 H new ATOM 0 HB3 LEU A 21 5.822 -4.626 -10.597 1.00 0.00 H new ATOM 0 HG LEU A 21 7.046 -7.264 -9.770 1.00 0.00 H new ATOM 0 HD11 LEU A 21 5.214 -7.248 -8.121 1.00 0.00 H new ATOM 0 HD12 LEU A 21 6.269 -5.824 -7.951 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.680 -5.666 -8.737 1.00 0.00 H new ATOM 0 HD21 LEU A 21 4.879 -8.297 -10.328 1.00 0.00 H new ATOM 0 HD22 LEU A 21 4.332 -6.756 -11.031 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.689 -7.640 -11.770 1.00 0.00 H new ATOM 297 N PRO A 22 6.496 -3.601 -13.481 1.00 0.00 N ATOM 298 CA PRO A 22 6.643 -2.289 -14.119 1.00 0.00 C ATOM 299 C PRO A 22 6.524 -1.142 -13.122 1.00 0.00 C ATOM 300 O PRO A 22 7.282 -0.174 -13.182 1.00 0.00 O ATOM 301 CB PRO A 22 5.484 -2.250 -15.119 1.00 0.00 C ATOM 302 CG PRO A 22 4.465 -3.179 -14.554 1.00 0.00 C ATOM 303 CD PRO A 22 5.236 -4.264 -13.856 1.00 0.00 C ATOM 0 HA PRO A 22 7.625 -2.166 -14.577 1.00 0.00 H new ATOM 0 HB2 PRO A 22 5.085 -1.241 -15.224 1.00 0.00 H new ATOM 0 HB3 PRO A 22 5.805 -2.570 -16.110 1.00 0.00 H new ATOM 0 HG2 PRO A 22 3.806 -2.659 -13.858 1.00 0.00 H new ATOM 0 HG3 PRO A 22 3.835 -3.593 -15.341 1.00 0.00 H new ATOM 0 HD2 PRO A 22 4.703 -4.637 -12.982 1.00 0.00 H new ATOM 0 HD3 PRO A 22 5.411 -5.118 -14.511 1.00 0.00 H new ATOM 311 N ALA A 23 5.570 -1.258 -12.204 1.00 0.00 N ATOM 312 CA ALA A 23 5.354 -0.231 -11.192 1.00 0.00 C ATOM 313 C ALA A 23 6.636 0.051 -10.415 1.00 0.00 C ATOM 314 O ALA A 23 6.861 1.170 -9.955 1.00 0.00 O ATOM 315 CB ALA A 23 4.242 -0.651 -10.243 1.00 0.00 C ATOM 0 H ALA A 23 4.934 -2.053 -12.140 1.00 0.00 H new ATOM 0 HA ALA A 23 5.057 0.687 -11.699 1.00 0.00 H new ATOM 0 HB1 ALA A 23 4.092 0.125 -9.493 1.00 0.00 H new ATOM 0 HB2 ALA A 23 3.319 -0.796 -10.805 1.00 0.00 H new ATOM 0 HB3 ALA A 23 4.517 -1.584 -9.750 1.00 0.00 H new ATOM 321 N PHE A 24 7.473 -0.972 -10.272 1.00 0.00 N ATOM 322 CA PHE A 24 8.732 -0.833 -9.549 1.00 0.00 C ATOM 323 C PHE A 24 9.884 -0.557 -10.510 1.00 0.00 C ATOM 324 O PHE A 24 10.668 0.369 -10.307 1.00 0.00 O ATOM 325 CB PHE A 24 9.020 -2.099 -8.739 1.00 0.00 C ATOM 326 CG PHE A 24 8.176 -2.226 -7.503 1.00 0.00 C ATOM 327 CD1 PHE A 24 8.034 -1.157 -6.632 1.00 0.00 C ATOM 328 CD2 PHE A 24 7.524 -3.413 -7.212 1.00 0.00 C ATOM 329 CE1 PHE A 24 7.259 -1.271 -5.494 1.00 0.00 C ATOM 330 CE2 PHE A 24 6.747 -3.533 -6.075 1.00 0.00 C ATOM 331 CZ PHE A 24 6.613 -2.460 -5.216 1.00 0.00 C ATOM 0 H PHE A 24 7.302 -1.905 -10.647 1.00 0.00 H new ATOM 0 HA PHE A 24 8.640 0.013 -8.868 1.00 0.00 H new ATOM 0 HB2 PHE A 24 8.856 -2.971 -9.372 1.00 0.00 H new ATOM 0 HB3 PHE A 24 10.072 -2.106 -8.453 1.00 0.00 H new ATOM 0 HD1 PHE A 24 8.535 -0.224 -6.845 1.00 0.00 H new ATOM 0 HD2 PHE A 24 7.624 -4.255 -7.881 1.00 0.00 H new ATOM 0 HE1 PHE A 24 7.158 -0.431 -4.822 1.00 0.00 H new ATOM 0 HE2 PHE A 24 6.245 -4.465 -5.859 1.00 0.00 H new ATOM 0 HZ PHE A 24 6.004 -2.550 -4.328 1.00 0.00 H new ATOM 341 N ALA A 25 9.979 -1.369 -11.558 1.00 0.00 N ATOM 342 CA ALA A 25 11.034 -1.212 -12.552 1.00 0.00 C ATOM 343 C ALA A 25 11.232 0.255 -12.915 1.00 0.00 C ATOM 344 O ALA A 25 12.335 0.675 -13.262 1.00 0.00 O ATOM 345 CB ALA A 25 10.711 -2.027 -13.796 1.00 0.00 C ATOM 0 H ALA A 25 9.339 -2.142 -11.741 1.00 0.00 H new ATOM 0 HA ALA A 25 11.965 -1.581 -12.120 1.00 0.00 H new ATOM 0 HB1 ALA A 25 11.507 -1.901 -14.530 1.00 0.00 H new ATOM 0 HB2 ALA A 25 10.627 -3.080 -13.529 1.00 0.00 H new ATOM 0 HB3 ALA A 25 9.768 -1.684 -14.221 1.00 0.00 H new ATOM 351 N ASN A 26 10.156 1.031 -12.833 1.00 0.00 N ATOM 352 CA ASN A 26 10.212 2.453 -13.155 1.00 0.00 C ATOM 353 C ASN A 26 11.405 3.117 -12.474 1.00 0.00 C ATOM 354 O ASN A 26 12.137 3.887 -13.095 1.00 0.00 O ATOM 355 CB ASN A 26 8.916 3.145 -12.728 1.00 0.00 C ATOM 356 CG ASN A 26 8.662 4.423 -13.503 1.00 0.00 C ATOM 357 OD1 ASN A 26 9.410 5.394 -13.384 1.00 0.00 O ATOM 358 ND2 ASN A 26 7.601 4.429 -14.302 1.00 0.00 N ATOM 0 H ASN A 26 9.235 0.699 -12.546 1.00 0.00 H new ATOM 0 HA ASN A 26 10.330 2.552 -14.234 1.00 0.00 H new ATOM 0 HB2 ASN A 26 8.078 2.463 -12.873 1.00 0.00 H new ATOM 0 HB3 ASN A 26 8.962 3.372 -11.663 1.00 0.00 H new ATOM 0 HD21 ASN A 26 7.379 5.261 -14.848 1.00 0.00 H new ATOM 0 HD22 ASN A 26 7.009 3.601 -14.369 1.00 0.00 H new ATOM 365 N MET A 27 11.594 2.813 -11.194 1.00 0.00 N ATOM 366 CA MET A 27 12.699 3.380 -10.430 1.00 0.00 C ATOM 367 C MET A 27 13.901 2.442 -10.435 1.00 0.00 C ATOM 368 O MET A 27 13.757 1.231 -10.609 1.00 0.00 O ATOM 369 CB MET A 27 12.261 3.659 -8.990 1.00 0.00 C ATOM 370 CG MET A 27 11.612 2.465 -8.310 1.00 0.00 C ATOM 371 SD MET A 27 9.825 2.417 -8.547 1.00 0.00 S ATOM 372 CE MET A 27 9.255 2.622 -6.861 1.00 0.00 C ATOM 0 H MET A 27 10.997 2.178 -10.665 1.00 0.00 H new ATOM 0 HA MET A 27 12.991 4.318 -10.902 1.00 0.00 H new ATOM 0 HB2 MET A 27 13.129 3.970 -8.409 1.00 0.00 H new ATOM 0 HB3 MET A 27 11.560 4.494 -8.987 1.00 0.00 H new ATOM 0 HG2 MET A 27 12.051 1.547 -8.700 1.00 0.00 H new ATOM 0 HG3 MET A 27 11.832 2.495 -7.243 1.00 0.00 H new ATOM 0 HE1 MET A 27 8.165 2.649 -6.846 1.00 0.00 H new ATOM 0 HE2 MET A 27 9.606 1.787 -6.254 1.00 0.00 H new ATOM 0 HE3 MET A 27 9.646 3.555 -6.455 1.00 0.00 H new ATOM 382 N THR A 28 15.089 3.007 -10.244 1.00 0.00 N ATOM 383 CA THR A 28 16.317 2.222 -10.229 1.00 0.00 C ATOM 384 C THR A 28 16.347 1.273 -9.036 1.00 0.00 C ATOM 385 O THR A 28 15.405 1.225 -8.245 1.00 0.00 O ATOM 386 CB THR A 28 17.562 3.126 -10.182 1.00 0.00 C ATOM 387 OG1 THR A 28 18.749 2.332 -10.287 1.00 0.00 O ATOM 388 CG2 THR A 28 17.598 3.932 -8.892 1.00 0.00 C ATOM 0 H THR A 28 15.227 4.007 -10.097 1.00 0.00 H new ATOM 0 HA THR A 28 16.333 1.643 -11.152 1.00 0.00 H new ATOM 0 HB THR A 28 17.512 3.818 -11.023 1.00 0.00 H new ATOM 0 HG1 THR A 28 19.536 2.915 -10.258 1.00 0.00 H new ATOM 0 HG21 THR A 28 18.487 4.563 -8.882 1.00 0.00 H new ATOM 0 HG22 THR A 28 16.708 4.558 -8.829 1.00 0.00 H new ATOM 0 HG23 THR A 28 17.625 3.253 -8.040 1.00 0.00 H new ATOM 396 N MET A 29 17.435 0.519 -8.912 1.00 0.00 N ATOM 397 CA MET A 29 17.587 -0.427 -7.814 1.00 0.00 C ATOM 398 C MET A 29 17.570 0.293 -6.469 1.00 0.00 C ATOM 399 O MET A 29 16.727 0.013 -5.616 1.00 0.00 O ATOM 400 CB MET A 29 18.891 -1.214 -7.967 1.00 0.00 C ATOM 401 CG MET A 29 19.101 -2.259 -6.884 1.00 0.00 C ATOM 402 SD MET A 29 20.427 -3.415 -7.282 1.00 0.00 S ATOM 403 CE MET A 29 19.548 -4.974 -7.209 1.00 0.00 C ATOM 0 H MET A 29 18.224 0.545 -9.558 1.00 0.00 H new ATOM 0 HA MET A 29 16.746 -1.120 -7.846 1.00 0.00 H new ATOM 0 HB2 MET A 29 18.897 -1.705 -8.940 1.00 0.00 H new ATOM 0 HB3 MET A 29 19.729 -0.518 -7.956 1.00 0.00 H new ATOM 0 HG2 MET A 29 19.330 -1.760 -5.942 1.00 0.00 H new ATOM 0 HG3 MET A 29 18.174 -2.813 -6.734 1.00 0.00 H new ATOM 0 HE1 MET A 29 20.222 -5.785 -7.485 1.00 0.00 H new ATOM 0 HE2 MET A 29 19.180 -5.137 -6.196 1.00 0.00 H new ATOM 0 HE3 MET A 29 18.707 -4.950 -7.901 1.00 0.00 H new ATOM 413 N SER A 30 18.504 1.220 -6.287 1.00 0.00 N ATOM 414 CA SER A 30 18.598 1.977 -5.044 1.00 0.00 C ATOM 415 C SER A 30 17.212 2.246 -4.466 1.00 0.00 C ATOM 416 O SER A 30 16.847 1.707 -3.421 1.00 0.00 O ATOM 417 CB SER A 30 19.329 3.300 -5.282 1.00 0.00 C ATOM 418 OG SER A 30 19.611 3.954 -4.057 1.00 0.00 O ATOM 0 H SER A 30 19.207 1.465 -6.984 1.00 0.00 H new ATOM 0 HA SER A 30 19.163 1.382 -4.327 1.00 0.00 H new ATOM 0 HB2 SER A 30 20.258 3.114 -5.821 1.00 0.00 H new ATOM 0 HB3 SER A 30 18.719 3.948 -5.912 1.00 0.00 H new ATOM 0 HG SER A 30 20.080 4.796 -4.236 1.00 0.00 H new ATOM 424 N VAL A 31 16.442 3.083 -5.155 1.00 0.00 N ATOM 425 CA VAL A 31 15.096 3.424 -4.711 1.00 0.00 C ATOM 426 C VAL A 31 14.401 2.218 -4.089 1.00 0.00 C ATOM 427 O VAL A 31 13.730 2.337 -3.063 1.00 0.00 O ATOM 428 CB VAL A 31 14.238 3.951 -5.877 1.00 0.00 C ATOM 429 CG1 VAL A 31 12.825 4.257 -5.405 1.00 0.00 C ATOM 430 CG2 VAL A 31 14.880 5.184 -6.495 1.00 0.00 C ATOM 0 H VAL A 31 16.728 3.537 -6.023 1.00 0.00 H new ATOM 0 HA VAL A 31 15.199 4.208 -3.961 1.00 0.00 H new ATOM 0 HB VAL A 31 14.180 3.176 -6.642 1.00 0.00 H new ATOM 0 HG11 VAL A 31 12.234 4.628 -6.242 1.00 0.00 H new ATOM 0 HG12 VAL A 31 12.368 3.349 -5.012 1.00 0.00 H new ATOM 0 HG13 VAL A 31 12.859 5.014 -4.621 1.00 0.00 H new ATOM 0 HG21 VAL A 31 14.261 5.543 -7.317 1.00 0.00 H new ATOM 0 HG22 VAL A 31 14.969 5.965 -5.740 1.00 0.00 H new ATOM 0 HG23 VAL A 31 15.870 4.928 -6.872 1.00 0.00 H new ATOM 440 N ARG A 32 14.565 1.058 -4.716 1.00 0.00 N ATOM 441 CA ARG A 32 13.953 -0.170 -4.223 1.00 0.00 C ATOM 442 C ARG A 32 14.523 -0.554 -2.861 1.00 0.00 C ATOM 443 O ARG A 32 13.785 -0.695 -1.885 1.00 0.00 O ATOM 444 CB ARG A 32 14.173 -1.310 -5.220 1.00 0.00 C ATOM 445 CG ARG A 32 13.745 -0.971 -6.638 1.00 0.00 C ATOM 446 CD ARG A 32 14.209 -2.027 -7.628 1.00 0.00 C ATOM 447 NE ARG A 32 14.376 -1.482 -8.972 1.00 0.00 N ATOM 448 CZ ARG A 32 14.573 -2.232 -10.051 1.00 0.00 C ATOM 449 NH1 ARG A 32 14.627 -3.552 -9.943 1.00 0.00 N ATOM 450 NH2 ARG A 32 14.716 -1.662 -11.240 1.00 0.00 N ATOM 0 H ARG A 32 15.116 0.943 -5.566 1.00 0.00 H new ATOM 0 HA ARG A 32 12.883 0.006 -4.112 1.00 0.00 H new ATOM 0 HB2 ARG A 32 15.229 -1.580 -5.223 1.00 0.00 H new ATOM 0 HB3 ARG A 32 13.621 -2.187 -4.883 1.00 0.00 H new ATOM 0 HG2 ARG A 32 12.659 -0.883 -6.680 1.00 0.00 H new ATOM 0 HG3 ARG A 32 14.154 -0.001 -6.921 1.00 0.00 H new ATOM 0 HD2 ARG A 32 15.154 -2.451 -7.289 1.00 0.00 H new ATOM 0 HD3 ARG A 32 13.485 -2.842 -7.655 1.00 0.00 H new ATOM 0 HE ARG A 32 14.339 -0.469 -9.089 1.00 0.00 H new ATOM 0 HH11 ARG A 32 14.517 -3.994 -9.030 1.00 0.00 H new ATOM 0 HH12 ARG A 32 14.778 -4.126 -10.773 1.00 0.00 H new ATOM 0 HH21 ARG A 32 14.675 -0.647 -11.327 1.00 0.00 H new ATOM 0 HH22 ARG A 32 14.867 -2.239 -12.067 1.00 0.00 H new ATOM 464 N ARG A 33 15.840 -0.722 -2.802 1.00 0.00 N ATOM 465 CA ARG A 33 16.509 -1.091 -1.561 1.00 0.00 C ATOM 466 C ARG A 33 16.006 -0.239 -0.399 1.00 0.00 C ATOM 467 O ARG A 33 15.732 -0.752 0.686 1.00 0.00 O ATOM 468 CB ARG A 33 18.024 -0.932 -1.706 1.00 0.00 C ATOM 469 CG ARG A 33 18.822 -1.899 -0.847 1.00 0.00 C ATOM 470 CD ARG A 33 19.035 -3.228 -1.555 1.00 0.00 C ATOM 471 NE ARG A 33 19.929 -4.109 -0.809 1.00 0.00 N ATOM 472 CZ ARG A 33 20.531 -5.167 -1.341 1.00 0.00 C ATOM 473 NH1 ARG A 33 20.335 -5.474 -2.616 1.00 0.00 N ATOM 474 NH2 ARG A 33 21.331 -5.920 -0.598 1.00 0.00 N ATOM 0 H ARG A 33 16.465 -0.608 -3.600 1.00 0.00 H new ATOM 0 HA ARG A 33 16.279 -2.135 -1.350 1.00 0.00 H new ATOM 0 HB2 ARG A 33 18.298 -1.077 -2.751 1.00 0.00 H new ATOM 0 HB3 ARG A 33 18.301 0.089 -1.442 1.00 0.00 H new ATOM 0 HG2 ARG A 33 19.788 -1.457 -0.602 1.00 0.00 H new ATOM 0 HG3 ARG A 33 18.300 -2.067 0.095 1.00 0.00 H new ATOM 0 HD2 ARG A 33 18.074 -3.722 -1.695 1.00 0.00 H new ATOM 0 HD3 ARG A 33 19.449 -3.048 -2.547 1.00 0.00 H new ATOM 0 HE ARG A 33 20.101 -3.901 0.175 1.00 0.00 H new ATOM 0 HH11 ARG A 33 19.721 -4.897 -3.191 1.00 0.00 H new ATOM 0 HH12 ARG A 33 20.799 -6.287 -3.022 1.00 0.00 H new ATOM 0 HH21 ARG A 33 21.485 -5.687 0.383 1.00 0.00 H new ATOM 0 HH22 ARG A 33 21.793 -6.732 -1.008 1.00 0.00 H new ATOM 488 N GLU A 34 15.889 1.064 -0.634 1.00 0.00 N ATOM 489 CA GLU A 34 15.420 1.986 0.394 1.00 0.00 C ATOM 490 C GLU A 34 13.988 1.660 0.806 1.00 0.00 C ATOM 491 O GLU A 34 13.649 1.687 1.990 1.00 0.00 O ATOM 492 CB GLU A 34 15.502 3.429 -0.109 1.00 0.00 C ATOM 493 CG GLU A 34 16.825 3.769 -0.773 1.00 0.00 C ATOM 494 CD GLU A 34 17.138 5.252 -0.727 1.00 0.00 C ATOM 495 OE1 GLU A 34 16.635 5.935 0.190 1.00 0.00 O ATOM 496 OE2 GLU A 34 17.885 5.729 -1.606 1.00 0.00 O ATOM 0 H GLU A 34 16.112 1.505 -1.526 1.00 0.00 H new ATOM 0 HA GLU A 34 16.064 1.875 1.266 1.00 0.00 H new ATOM 0 HB2 GLU A 34 14.694 3.604 -0.819 1.00 0.00 H new ATOM 0 HB3 GLU A 34 15.342 4.107 0.730 1.00 0.00 H new ATOM 0 HG2 GLU A 34 17.626 3.217 -0.281 1.00 0.00 H new ATOM 0 HG3 GLU A 34 16.801 3.439 -1.811 1.00 0.00 H new ATOM 503 N LEU A 35 13.151 1.351 -0.179 1.00 0.00 N ATOM 504 CA LEU A 35 11.754 1.019 0.080 1.00 0.00 C ATOM 505 C LEU A 35 11.643 -0.204 0.984 1.00 0.00 C ATOM 506 O LEU A 35 10.956 -0.174 2.005 1.00 0.00 O ATOM 507 CB LEU A 35 11.018 0.764 -1.236 1.00 0.00 C ATOM 508 CG LEU A 35 10.677 2.002 -2.066 1.00 0.00 C ATOM 509 CD1 LEU A 35 10.463 1.625 -3.524 1.00 0.00 C ATOM 510 CD2 LEU A 35 9.445 2.697 -1.506 1.00 0.00 C ATOM 0 H LEU A 35 13.415 1.323 -1.164 1.00 0.00 H new ATOM 0 HA LEU A 35 11.293 1.866 0.589 1.00 0.00 H new ATOM 0 HB2 LEU A 35 11.628 0.098 -1.847 1.00 0.00 H new ATOM 0 HB3 LEU A 35 10.092 0.234 -1.014 1.00 0.00 H new ATOM 0 HG LEU A 35 11.516 2.695 -2.011 1.00 0.00 H new ATOM 0 HD11 LEU A 35 10.221 2.519 -4.099 1.00 0.00 H new ATOM 0 HD12 LEU A 35 11.372 1.173 -3.920 1.00 0.00 H new ATOM 0 HD13 LEU A 35 9.642 0.912 -3.599 1.00 0.00 H new ATOM 0 HD21 LEU A 35 9.217 3.576 -2.109 1.00 0.00 H new ATOM 0 HD22 LEU A 35 8.598 2.011 -1.530 1.00 0.00 H new ATOM 0 HD23 LEU A 35 9.636 3.003 -0.477 1.00 0.00 H new ATOM 522 N CYS A 36 12.326 -1.278 0.603 1.00 0.00 N ATOM 523 CA CYS A 36 12.306 -2.513 1.379 1.00 0.00 C ATOM 524 C CYS A 36 12.478 -2.222 2.867 1.00 0.00 C ATOM 525 O CYS A 36 12.100 -3.030 3.715 1.00 0.00 O ATOM 526 CB CYS A 36 13.408 -3.459 0.901 1.00 0.00 C ATOM 527 SG CYS A 36 13.032 -5.211 1.140 1.00 0.00 S ATOM 0 H CYS A 36 12.901 -1.318 -0.239 1.00 0.00 H new ATOM 0 HA CYS A 36 11.338 -2.991 1.230 1.00 0.00 H new ATOM 0 HB2 CYS A 36 13.592 -3.279 -0.158 1.00 0.00 H new ATOM 0 HB3 CYS A 36 14.331 -3.221 1.430 1.00 0.00 H new ATOM 0 HG CYS A 36 13.219 -5.851 0.024 1.00 0.00 H new ATOM 533 N SER A 37 13.051 -1.063 3.175 1.00 0.00 N ATOM 534 CA SER A 37 13.278 -0.668 4.560 1.00 0.00 C ATOM 535 C SER A 37 11.961 -0.334 5.253 1.00 0.00 C ATOM 536 O SER A 37 11.757 -0.668 6.420 1.00 0.00 O ATOM 537 CB SER A 37 14.220 0.536 4.621 1.00 0.00 C ATOM 538 OG SER A 37 14.840 0.635 5.892 1.00 0.00 O ATOM 0 H SER A 37 13.366 -0.382 2.485 1.00 0.00 H new ATOM 0 HA SER A 37 13.739 -1.508 5.080 1.00 0.00 H new ATOM 0 HB2 SER A 37 14.982 0.445 3.847 1.00 0.00 H new ATOM 0 HB3 SER A 37 13.662 1.449 4.413 1.00 0.00 H new ATOM 0 HG SER A 37 15.438 1.411 5.905 1.00 0.00 H new ATOM 544 N VAL A 38 11.068 0.329 4.525 1.00 0.00 N ATOM 545 CA VAL A 38 9.769 0.709 5.067 1.00 0.00 C ATOM 546 C VAL A 38 8.636 0.031 4.306 1.00 0.00 C ATOM 547 O VAL A 38 7.499 0.500 4.317 1.00 0.00 O ATOM 548 CB VAL A 38 9.565 2.235 5.017 1.00 0.00 C ATOM 549 CG1 VAL A 38 10.495 2.931 6.000 1.00 0.00 C ATOM 550 CG2 VAL A 38 9.782 2.756 3.605 1.00 0.00 C ATOM 0 H VAL A 38 11.221 0.614 3.558 1.00 0.00 H new ATOM 0 HA VAL A 38 9.752 0.381 6.106 1.00 0.00 H new ATOM 0 HB VAL A 38 8.538 2.456 5.307 1.00 0.00 H new ATOM 0 HG11 VAL A 38 10.337 4.008 5.950 1.00 0.00 H new ATOM 0 HG12 VAL A 38 10.286 2.580 7.010 1.00 0.00 H new ATOM 0 HG13 VAL A 38 11.530 2.704 5.744 1.00 0.00 H new ATOM 0 HG21 VAL A 38 9.634 3.836 3.589 1.00 0.00 H new ATOM 0 HG22 VAL A 38 10.797 2.524 3.284 1.00 0.00 H new ATOM 0 HG23 VAL A 38 9.071 2.282 2.929 1.00 0.00 H new ATOM 560 N MET A 39 8.955 -1.078 3.645 1.00 0.00 N ATOM 561 CA MET A 39 7.962 -1.822 2.879 1.00 0.00 C ATOM 562 C MET A 39 7.200 -2.793 3.776 1.00 0.00 C ATOM 563 O MET A 39 7.744 -3.811 4.207 1.00 0.00 O ATOM 564 CB MET A 39 8.636 -2.586 1.737 1.00 0.00 C ATOM 565 CG MET A 39 8.965 -1.716 0.535 1.00 0.00 C ATOM 566 SD MET A 39 7.632 -1.674 -0.678 1.00 0.00 S ATOM 567 CE MET A 39 8.352 -2.636 -2.006 1.00 0.00 C ATOM 0 H MET A 39 9.892 -1.480 3.625 1.00 0.00 H new ATOM 0 HA MET A 39 7.252 -1.108 2.460 1.00 0.00 H new ATOM 0 HB2 MET A 39 9.554 -3.042 2.108 1.00 0.00 H new ATOM 0 HB3 MET A 39 7.983 -3.399 1.419 1.00 0.00 H new ATOM 0 HG2 MET A 39 9.176 -0.701 0.873 1.00 0.00 H new ATOM 0 HG3 MET A 39 9.872 -2.088 0.059 1.00 0.00 H new ATOM 0 HE1 MET A 39 8.253 -2.091 -2.945 1.00 0.00 H new ATOM 0 HE2 MET A 39 9.407 -2.812 -1.797 1.00 0.00 H new ATOM 0 HE3 MET A 39 7.834 -3.592 -2.085 1.00 0.00 H new ATOM 577 N ILE A 40 5.941 -2.472 4.052 1.00 0.00 N ATOM 578 CA ILE A 40 5.106 -3.317 4.897 1.00 0.00 C ATOM 579 C ILE A 40 4.480 -4.451 4.092 1.00 0.00 C ATOM 580 O ILE A 40 4.158 -4.287 2.915 1.00 0.00 O ATOM 581 CB ILE A 40 3.986 -2.504 5.574 1.00 0.00 C ATOM 582 CG1 ILE A 40 4.563 -1.246 6.227 1.00 0.00 C ATOM 583 CG2 ILE A 40 3.261 -3.357 6.604 1.00 0.00 C ATOM 584 CD1 ILE A 40 3.511 -0.230 6.613 1.00 0.00 C ATOM 0 H ILE A 40 5.477 -1.633 3.703 1.00 0.00 H new ATOM 0 HA ILE A 40 5.756 -3.736 5.666 1.00 0.00 H new ATOM 0 HB ILE A 40 3.268 -2.199 4.813 1.00 0.00 H new ATOM 0 HG12 ILE A 40 5.124 -1.533 7.117 1.00 0.00 H new ATOM 0 HG13 ILE A 40 5.271 -0.782 5.540 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.473 -2.769 7.074 1.00 0.00 H new ATOM 0 HG22 ILE A 40 2.822 -4.226 6.113 1.00 0.00 H new ATOM 0 HG23 ILE A 40 3.968 -3.689 7.364 1.00 0.00 H new ATOM 0 HD11 ILE A 40 3.991 0.635 7.070 1.00 0.00 H new ATOM 0 HD12 ILE A 40 2.966 0.085 5.723 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.817 -0.677 7.324 1.00 0.00 H new ATOM 596 N PHE A 41 4.309 -5.601 4.736 1.00 0.00 N ATOM 597 CA PHE A 41 3.720 -6.763 4.080 1.00 0.00 C ATOM 598 C PHE A 41 2.275 -6.965 4.526 1.00 0.00 C ATOM 599 O PHE A 41 1.971 -6.922 5.718 1.00 0.00 O ATOM 600 CB PHE A 41 4.540 -8.018 4.387 1.00 0.00 C ATOM 601 CG PHE A 41 5.653 -8.261 3.408 1.00 0.00 C ATOM 602 CD1 PHE A 41 6.817 -7.511 3.461 1.00 0.00 C ATOM 603 CD2 PHE A 41 5.535 -9.239 2.434 1.00 0.00 C ATOM 604 CE1 PHE A 41 7.842 -7.733 2.561 1.00 0.00 C ATOM 605 CE2 PHE A 41 6.557 -9.466 1.531 1.00 0.00 C ATOM 606 CZ PHE A 41 7.712 -8.712 1.595 1.00 0.00 C ATOM 0 H PHE A 41 4.570 -5.753 5.710 1.00 0.00 H new ATOM 0 HA PHE A 41 3.728 -6.585 3.005 1.00 0.00 H new ATOM 0 HB2 PHE A 41 4.961 -7.931 5.389 1.00 0.00 H new ATOM 0 HB3 PHE A 41 3.877 -8.883 4.393 1.00 0.00 H new ATOM 0 HD1 PHE A 41 6.924 -6.744 4.214 1.00 0.00 H new ATOM 0 HD2 PHE A 41 4.634 -9.831 2.379 1.00 0.00 H new ATOM 0 HE1 PHE A 41 8.744 -7.141 2.613 1.00 0.00 H new ATOM 0 HE2 PHE A 41 6.452 -10.232 0.777 1.00 0.00 H new ATOM 0 HZ PHE A 41 8.512 -8.887 0.891 1.00 0.00 H new ATOM 616 N GLU A 42 1.389 -7.184 3.560 1.00 0.00 N ATOM 617 CA GLU A 42 -0.025 -7.391 3.853 1.00 0.00 C ATOM 618 C GLU A 42 -0.692 -8.218 2.757 1.00 0.00 C ATOM 619 O GLU A 42 -0.425 -8.028 1.571 1.00 0.00 O ATOM 620 CB GLU A 42 -0.740 -6.047 3.999 1.00 0.00 C ATOM 621 CG GLU A 42 -0.731 -5.504 5.419 1.00 0.00 C ATOM 622 CD GLU A 42 -1.483 -6.395 6.388 1.00 0.00 C ATOM 623 OE1 GLU A 42 -2.377 -7.141 5.936 1.00 0.00 O ATOM 624 OE2 GLU A 42 -1.179 -6.346 7.598 1.00 0.00 O ATOM 0 H GLU A 42 1.625 -7.223 2.568 1.00 0.00 H new ATOM 0 HA GLU A 42 -0.099 -7.938 4.793 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -0.268 -5.320 3.338 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -1.773 -6.156 3.667 1.00 0.00 H new ATOM 0 HG2 GLU A 42 0.300 -5.395 5.756 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -1.175 -4.509 5.426 1.00 0.00 H new ATOM 631 N VAL A 43 -1.562 -9.137 3.165 1.00 0.00 N ATOM 632 CA VAL A 43 -2.268 -9.993 2.219 1.00 0.00 C ATOM 633 C VAL A 43 -3.699 -10.253 2.677 1.00 0.00 C ATOM 634 O VAL A 43 -3.934 -10.672 3.810 1.00 0.00 O ATOM 635 CB VAL A 43 -1.547 -11.342 2.036 1.00 0.00 C ATOM 636 CG1 VAL A 43 -1.258 -11.981 3.385 1.00 0.00 C ATOM 637 CG2 VAL A 43 -2.373 -12.273 1.162 1.00 0.00 C ATOM 0 H VAL A 43 -1.794 -9.308 4.143 1.00 0.00 H new ATOM 0 HA VAL A 43 -2.284 -9.466 1.265 1.00 0.00 H new ATOM 0 HB VAL A 43 -0.596 -11.160 1.536 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -0.749 -12.933 3.235 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -0.623 -11.318 3.973 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.195 -12.151 3.915 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -1.849 -13.221 1.043 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -3.341 -12.450 1.632 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.523 -11.816 0.184 1.00 0.00 H new ATOM 647 N VAL A 44 -4.654 -10.002 1.786 1.00 0.00 N ATOM 648 CA VAL A 44 -6.063 -10.210 2.097 1.00 0.00 C ATOM 649 C VAL A 44 -6.490 -11.639 1.781 1.00 0.00 C ATOM 650 O VAL A 44 -6.308 -12.118 0.663 1.00 0.00 O ATOM 651 CB VAL A 44 -6.961 -9.233 1.315 1.00 0.00 C ATOM 652 CG1 VAL A 44 -8.429 -9.552 1.549 1.00 0.00 C ATOM 653 CG2 VAL A 44 -6.650 -7.796 1.707 1.00 0.00 C ATOM 0 H VAL A 44 -4.477 -9.654 0.844 1.00 0.00 H new ATOM 0 HA VAL A 44 -6.182 -10.026 3.165 1.00 0.00 H new ATOM 0 HB VAL A 44 -6.755 -9.349 0.251 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -9.047 -8.851 0.988 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -8.638 -10.568 1.215 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -8.655 -9.466 2.612 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -7.293 -7.118 1.145 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -6.827 -7.664 2.774 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -5.606 -7.575 1.482 1.00 0.00 H new ATOM 663 N GLU A 45 -7.061 -12.313 2.775 1.00 0.00 N ATOM 664 CA GLU A 45 -7.514 -13.689 2.602 1.00 0.00 C ATOM 665 C GLU A 45 -8.937 -13.727 2.052 1.00 0.00 C ATOM 666 O GLU A 45 -9.245 -14.514 1.156 1.00 0.00 O ATOM 667 CB GLU A 45 -7.449 -14.441 3.933 1.00 0.00 C ATOM 668 CG GLU A 45 -6.110 -15.113 4.188 1.00 0.00 C ATOM 669 CD GLU A 45 -6.029 -16.501 3.584 1.00 0.00 C ATOM 670 OE1 GLU A 45 -6.636 -17.432 4.153 1.00 0.00 O ATOM 671 OE2 GLU A 45 -5.359 -16.656 2.542 1.00 0.00 O ATOM 0 H GLU A 45 -7.221 -11.930 3.707 1.00 0.00 H new ATOM 0 HA GLU A 45 -6.853 -14.176 1.885 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -7.657 -13.744 4.745 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -8.235 -15.196 3.953 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -5.313 -14.494 3.775 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -5.939 -15.178 5.263 1.00 0.00 H new ATOM 678 N GLN A 46 -9.798 -12.874 2.595 1.00 0.00 N ATOM 679 CA GLN A 46 -11.189 -12.811 2.159 1.00 0.00 C ATOM 680 C GLN A 46 -11.342 -11.882 0.959 1.00 0.00 C ATOM 681 O GLN A 46 -11.032 -10.694 1.039 1.00 0.00 O ATOM 682 CB GLN A 46 -12.083 -12.336 3.305 1.00 0.00 C ATOM 683 CG GLN A 46 -11.793 -10.913 3.754 1.00 0.00 C ATOM 684 CD GLN A 46 -12.514 -10.547 5.036 1.00 0.00 C ATOM 685 OE1 GLN A 46 -11.897 -10.417 6.094 1.00 0.00 O ATOM 686 NE2 GLN A 46 -13.828 -10.377 4.949 1.00 0.00 N ATOM 0 H GLN A 46 -9.558 -12.217 3.337 1.00 0.00 H new ATOM 0 HA GLN A 46 -11.496 -13.813 1.860 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -13.125 -12.404 2.994 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -11.959 -13.008 4.154 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -10.719 -10.794 3.899 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -12.087 -10.220 2.966 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -14.299 -10.495 4.052 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -14.366 -10.129 5.779 1.00 0.00 H new ATOM 695 N ALA A 47 -11.823 -12.432 -0.151 1.00 0.00 N ATOM 696 CA ALA A 47 -12.019 -11.652 -1.366 1.00 0.00 C ATOM 697 C ALA A 47 -13.047 -10.547 -1.150 1.00 0.00 C ATOM 698 O ALA A 47 -13.644 -10.443 -0.079 1.00 0.00 O ATOM 699 CB ALA A 47 -12.448 -12.558 -2.511 1.00 0.00 C ATOM 0 H ALA A 47 -12.084 -13.415 -0.234 1.00 0.00 H new ATOM 0 HA ALA A 47 -11.069 -11.183 -1.624 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -12.591 -11.962 -3.412 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -11.677 -13.308 -2.690 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -13.383 -13.054 -2.252 1.00 0.00 H new ATOM 705 N GLY A 48 -13.248 -9.723 -2.174 1.00 0.00 N ATOM 706 CA GLY A 48 -14.204 -8.635 -2.074 1.00 0.00 C ATOM 707 C GLY A 48 -13.948 -7.746 -0.874 1.00 0.00 C ATOM 708 O GLY A 48 -14.834 -7.015 -0.433 1.00 0.00 O ATOM 0 H GLY A 48 -12.766 -9.789 -3.071 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -14.162 -8.034 -2.983 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -15.212 -9.046 -2.009 1.00 0.00 H new ATOM 712 N ALA A 49 -12.731 -7.809 -0.342 1.00 0.00 N ATOM 713 CA ALA A 49 -12.361 -7.002 0.815 1.00 0.00 C ATOM 714 C ALA A 49 -12.037 -5.570 0.404 1.00 0.00 C ATOM 715 O ALA A 49 -11.414 -5.337 -0.632 1.00 0.00 O ATOM 716 CB ALA A 49 -11.176 -7.627 1.536 1.00 0.00 C ATOM 0 H ALA A 49 -11.985 -8.410 -0.693 1.00 0.00 H new ATOM 0 HA ALA A 49 -13.212 -6.973 1.495 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -10.910 -7.015 2.398 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -11.442 -8.629 1.871 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -10.326 -7.685 0.856 1.00 0.00 H new ATOM 722 N ILE A 50 -12.464 -4.614 1.222 1.00 0.00 N ATOM 723 CA ILE A 50 -12.218 -3.205 0.943 1.00 0.00 C ATOM 724 C ILE A 50 -10.790 -2.813 1.307 1.00 0.00 C ATOM 725 O ILE A 50 -10.389 -2.899 2.468 1.00 0.00 O ATOM 726 CB ILE A 50 -13.199 -2.299 1.712 1.00 0.00 C ATOM 727 CG1 ILE A 50 -14.641 -2.624 1.320 1.00 0.00 C ATOM 728 CG2 ILE A 50 -12.888 -0.834 1.444 1.00 0.00 C ATOM 729 CD1 ILE A 50 -15.072 -4.022 1.705 1.00 0.00 C ATOM 0 H ILE A 50 -12.982 -4.790 2.083 1.00 0.00 H new ATOM 0 HA ILE A 50 -12.369 -3.065 -0.127 1.00 0.00 H new ATOM 0 HB ILE A 50 -13.082 -2.485 2.780 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -15.309 -1.904 1.793 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -14.752 -2.502 0.243 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -13.589 -0.207 1.994 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -11.871 -0.613 1.769 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -12.980 -0.632 0.377 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -16.105 -4.182 1.396 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -14.428 -4.750 1.211 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -14.993 -4.142 2.785 1.00 0.00 H new ATOM 741 N ILE A 51 -10.028 -2.381 0.308 1.00 0.00 N ATOM 742 CA ILE A 51 -8.645 -1.973 0.524 1.00 0.00 C ATOM 743 C ILE A 51 -8.569 -0.540 1.040 1.00 0.00 C ATOM 744 O ILE A 51 -7.784 -0.232 1.938 1.00 0.00 O ATOM 745 CB ILE A 51 -7.817 -2.086 -0.769 1.00 0.00 C ATOM 746 CG1 ILE A 51 -8.232 -3.328 -1.560 1.00 0.00 C ATOM 747 CG2 ILE A 51 -6.331 -2.130 -0.444 1.00 0.00 C ATOM 748 CD1 ILE A 51 -8.108 -4.614 -0.773 1.00 0.00 C ATOM 0 H ILE A 51 -10.345 -2.304 -0.659 1.00 0.00 H new ATOM 0 HA ILE A 51 -8.229 -2.648 1.272 1.00 0.00 H new ATOM 0 HB ILE A 51 -8.009 -1.207 -1.384 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -9.264 -3.211 -1.889 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -7.617 -3.400 -2.457 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -5.759 -2.210 -1.368 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -6.046 -1.218 0.081 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -6.122 -2.993 0.188 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -8.419 -5.453 -1.396 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -7.072 -4.754 -0.466 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -8.744 -4.563 0.111 1.00 0.00 H new ATOM 760 N LEU A 52 -9.391 0.333 0.467 1.00 0.00 N ATOM 761 CA LEU A 52 -9.419 1.735 0.870 1.00 0.00 C ATOM 762 C LEU A 52 -10.811 2.328 0.682 1.00 0.00 C ATOM 763 O LEU A 52 -11.508 2.006 -0.280 1.00 0.00 O ATOM 764 CB LEU A 52 -8.396 2.538 0.064 1.00 0.00 C ATOM 765 CG LEU A 52 -6.943 2.076 0.174 1.00 0.00 C ATOM 766 CD1 LEU A 52 -6.150 2.514 -1.048 1.00 0.00 C ATOM 767 CD2 LEU A 52 -6.306 2.615 1.447 1.00 0.00 C ATOM 0 H LEU A 52 -10.046 0.095 -0.277 1.00 0.00 H new ATOM 0 HA LEU A 52 -9.162 1.789 1.928 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -8.687 2.509 -0.986 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -8.450 3.579 0.381 1.00 0.00 H new ATOM 0 HG LEU A 52 -6.931 0.987 0.219 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -5.118 2.176 -0.952 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -6.592 2.079 -1.944 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -6.170 3.601 -1.125 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -5.272 2.276 1.508 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -6.330 3.705 1.433 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -6.859 2.251 2.313 1.00 0.00 H new ATOM 779 N GLU A 53 -11.208 3.198 1.605 1.00 0.00 N ATOM 780 CA GLU A 53 -12.517 3.837 1.539 1.00 0.00 C ATOM 781 C GLU A 53 -12.399 5.268 1.021 1.00 0.00 C ATOM 782 O GLU A 53 -11.438 5.973 1.330 1.00 0.00 O ATOM 783 CB GLU A 53 -13.181 3.835 2.917 1.00 0.00 C ATOM 784 CG GLU A 53 -13.640 2.459 3.370 1.00 0.00 C ATOM 785 CD GLU A 53 -14.229 2.471 4.767 1.00 0.00 C ATOM 786 OE1 GLU A 53 -15.380 2.928 4.923 1.00 0.00 O ATOM 787 OE2 GLU A 53 -13.537 2.022 5.705 1.00 0.00 O ATOM 0 H GLU A 53 -10.642 3.476 2.407 1.00 0.00 H new ATOM 0 HA GLU A 53 -13.136 3.268 0.845 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -12.479 4.234 3.650 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -14.039 4.507 2.898 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -14.384 2.079 2.669 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -12.795 1.771 3.342 1.00 0.00 H new ATOM 794 N ASP A 54 -13.382 5.689 0.233 1.00 0.00 N ATOM 795 CA ASP A 54 -13.389 7.035 -0.328 1.00 0.00 C ATOM 796 C ASP A 54 -13.446 8.084 0.778 1.00 0.00 C ATOM 797 O ASP A 54 -14.150 7.914 1.773 1.00 0.00 O ATOM 798 CB ASP A 54 -14.577 7.209 -1.276 1.00 0.00 C ATOM 799 CG ASP A 54 -15.909 7.118 -0.557 1.00 0.00 C ATOM 800 OD1 ASP A 54 -16.140 6.107 0.139 1.00 0.00 O ATOM 801 OD2 ASP A 54 -16.719 8.058 -0.690 1.00 0.00 O ATOM 0 H ASP A 54 -14.184 5.118 -0.032 1.00 0.00 H new ATOM 0 HA ASP A 54 -12.464 7.174 -0.888 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -14.502 8.175 -1.775 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -14.534 6.445 -2.053 1.00 0.00 H new ATOM 806 N GLY A 55 -12.699 9.169 0.598 1.00 0.00 N ATOM 807 CA GLY A 55 -12.678 10.228 1.589 1.00 0.00 C ATOM 808 C GLY A 55 -11.738 9.928 2.739 1.00 0.00 C ATOM 809 O GLY A 55 -11.959 10.379 3.863 1.00 0.00 O ATOM 0 H GLY A 55 -12.108 9.333 -0.217 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -12.378 11.161 1.112 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -13.685 10.378 1.977 1.00 0.00 H new ATOM 813 N GLN A 56 -10.688 9.162 2.459 1.00 0.00 N ATOM 814 CA GLN A 56 -9.713 8.800 3.481 1.00 0.00 C ATOM 815 C GLN A 56 -8.333 9.348 3.135 1.00 0.00 C ATOM 816 O GLN A 56 -7.772 9.026 2.088 1.00 0.00 O ATOM 817 CB GLN A 56 -9.647 7.280 3.637 1.00 0.00 C ATOM 818 CG GLN A 56 -8.738 6.823 4.767 1.00 0.00 C ATOM 819 CD GLN A 56 -8.784 5.323 4.982 1.00 0.00 C ATOM 820 OE1 GLN A 56 -9.514 4.830 5.843 1.00 0.00 O ATOM 821 NE2 GLN A 56 -8.002 4.588 4.200 1.00 0.00 N ATOM 0 H GLN A 56 -10.491 8.781 1.534 1.00 0.00 H new ATOM 0 HA GLN A 56 -10.033 9.241 4.425 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -10.652 6.897 3.813 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -9.298 6.842 2.702 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -7.713 7.124 4.548 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -9.028 7.327 5.689 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -7.413 5.038 3.500 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -7.990 3.573 4.300 1.00 0.00 H new ATOM 830 N GLU A 57 -7.792 10.178 4.022 1.00 0.00 N ATOM 831 CA GLU A 57 -6.477 10.771 3.808 1.00 0.00 C ATOM 832 C GLU A 57 -5.425 9.692 3.571 1.00 0.00 C ATOM 833 O GLU A 57 -4.815 9.185 4.514 1.00 0.00 O ATOM 834 CB GLU A 57 -6.079 11.631 5.010 1.00 0.00 C ATOM 835 CG GLU A 57 -4.801 12.423 4.795 1.00 0.00 C ATOM 836 CD GLU A 57 -4.076 12.723 6.093 1.00 0.00 C ATOM 837 OE1 GLU A 57 -4.689 13.344 6.986 1.00 0.00 O ATOM 838 OE2 GLU A 57 -2.894 12.336 6.215 1.00 0.00 O ATOM 0 H GLU A 57 -8.243 10.454 4.894 1.00 0.00 H new ATOM 0 HA GLU A 57 -6.532 11.402 2.921 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -6.891 12.322 5.236 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -5.956 10.988 5.881 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -4.139 11.864 4.134 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -5.039 13.360 4.291 1.00 0.00 H new ATOM 845 N LEU A 58 -5.217 9.344 2.306 1.00 0.00 N ATOM 846 CA LEU A 58 -4.239 8.324 1.943 1.00 0.00 C ATOM 847 C LEU A 58 -2.834 8.745 2.361 1.00 0.00 C ATOM 848 O LEU A 58 -2.256 9.671 1.791 1.00 0.00 O ATOM 849 CB LEU A 58 -4.279 8.064 0.436 1.00 0.00 C ATOM 850 CG LEU A 58 -5.593 7.509 -0.114 1.00 0.00 C ATOM 851 CD1 LEU A 58 -5.791 7.941 -1.559 1.00 0.00 C ATOM 852 CD2 LEU A 58 -5.621 5.992 -0.001 1.00 0.00 C ATOM 0 H LEU A 58 -5.713 9.753 1.514 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.495 7.405 2.470 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -4.058 8.999 -0.080 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -3.480 7.366 0.187 1.00 0.00 H new ATOM 0 HG LEU A 58 -6.413 7.912 0.481 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -6.731 7.537 -1.934 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -5.817 9.029 -1.613 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -4.967 7.567 -2.167 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -6.564 5.615 -0.397 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -4.793 5.569 -0.570 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -5.526 5.703 1.046 1.00 0.00 H new ATOM 864 N ASP A 59 -2.288 8.057 3.358 1.00 0.00 N ATOM 865 CA ASP A 59 -0.948 8.357 3.851 1.00 0.00 C ATOM 866 C ASP A 59 -0.016 7.166 3.649 1.00 0.00 C ATOM 867 O ASP A 59 0.958 6.997 4.383 1.00 0.00 O ATOM 868 CB ASP A 59 -0.999 8.736 5.331 1.00 0.00 C ATOM 869 CG ASP A 59 -1.841 7.775 6.147 1.00 0.00 C ATOM 870 OD1 ASP A 59 -3.084 7.895 6.110 1.00 0.00 O ATOM 871 OD2 ASP A 59 -1.257 6.901 6.822 1.00 0.00 O ATOM 0 H ASP A 59 -2.752 7.288 3.841 1.00 0.00 H new ATOM 0 HA ASP A 59 -0.558 9.201 3.282 1.00 0.00 H new ATOM 0 HB2 ASP A 59 0.014 8.757 5.732 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -1.403 9.743 5.431 1.00 0.00 H new ATOM 876 N SER A 60 -0.323 6.343 2.652 1.00 0.00 N ATOM 877 CA SER A 60 0.484 5.165 2.357 1.00 0.00 C ATOM 878 C SER A 60 0.192 4.644 0.953 1.00 0.00 C ATOM 879 O SER A 60 -0.957 4.373 0.606 1.00 0.00 O ATOM 880 CB SER A 60 0.215 4.066 3.387 1.00 0.00 C ATOM 881 OG SER A 60 1.000 4.255 4.552 1.00 0.00 O ATOM 0 H SER A 60 -1.125 6.470 2.035 1.00 0.00 H new ATOM 0 HA SER A 60 1.534 5.452 2.408 1.00 0.00 H new ATOM 0 HB2 SER A 60 -0.842 4.064 3.653 1.00 0.00 H new ATOM 0 HB3 SER A 60 0.436 3.092 2.950 1.00 0.00 H new ATOM 0 HG SER A 60 1.198 5.209 4.662 1.00 0.00 H new ATOM 887 N TRP A 61 1.242 4.506 0.151 1.00 0.00 N ATOM 888 CA TRP A 61 1.099 4.018 -1.216 1.00 0.00 C ATOM 889 C TRP A 61 0.963 2.499 -1.240 1.00 0.00 C ATOM 890 O TRP A 61 1.739 1.786 -0.604 1.00 0.00 O ATOM 891 CB TRP A 61 2.300 4.447 -2.060 1.00 0.00 C ATOM 892 CG TRP A 61 2.349 3.786 -3.404 1.00 0.00 C ATOM 893 CD1 TRP A 61 1.317 3.652 -4.290 1.00 0.00 C ATOM 894 CD2 TRP A 61 3.486 3.166 -4.014 1.00 0.00 C ATOM 895 NE1 TRP A 61 1.745 2.987 -5.413 1.00 0.00 N ATOM 896 CE2 TRP A 61 3.072 2.678 -5.269 1.00 0.00 C ATOM 897 CE3 TRP A 61 4.814 2.977 -3.623 1.00 0.00 C ATOM 898 CZ2 TRP A 61 3.939 2.014 -6.133 1.00 0.00 C ATOM 899 CZ3 TRP A 61 5.674 2.317 -4.481 1.00 0.00 C ATOM 900 CH2 TRP A 61 5.234 1.843 -5.724 1.00 0.00 C ATOM 0 H TRP A 61 2.200 4.725 0.423 1.00 0.00 H new ATOM 0 HA TRP A 61 0.193 4.453 -1.638 1.00 0.00 H new ATOM 0 HB2 TRP A 61 2.272 5.528 -2.196 1.00 0.00 H new ATOM 0 HB3 TRP A 61 3.217 4.218 -1.517 1.00 0.00 H new ATOM 0 HD1 TRP A 61 0.313 4.016 -4.131 1.00 0.00 H new ATOM 0 HE1 TRP A 61 1.168 2.760 -6.223 1.00 0.00 H new ATOM 0 HE3 TRP A 61 5.163 3.340 -2.667 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 3.602 1.647 -7.091 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 6.702 2.164 -4.188 1.00 0.00 H new ATOM 0 HH2 TRP A 61 5.931 1.332 -6.372 1.00 0.00 H new ATOM 911 N TYR A 62 -0.028 2.011 -1.977 1.00 0.00 N ATOM 912 CA TYR A 62 -0.268 0.576 -2.082 1.00 0.00 C ATOM 913 C TYR A 62 0.153 0.052 -3.452 1.00 0.00 C ATOM 914 O TYR A 62 0.157 0.790 -4.437 1.00 0.00 O ATOM 915 CB TYR A 62 -1.745 0.265 -1.836 1.00 0.00 C ATOM 916 CG TYR A 62 -2.265 0.796 -0.519 1.00 0.00 C ATOM 917 CD1 TYR A 62 -2.430 2.160 -0.314 1.00 0.00 C ATOM 918 CD2 TYR A 62 -2.592 -0.067 0.519 1.00 0.00 C ATOM 919 CE1 TYR A 62 -2.904 2.649 0.888 1.00 0.00 C ATOM 920 CE2 TYR A 62 -3.068 0.413 1.724 1.00 0.00 C ATOM 921 CZ TYR A 62 -3.222 1.772 1.903 1.00 0.00 C ATOM 922 OH TYR A 62 -3.695 2.255 3.102 1.00 0.00 O ATOM 0 H TYR A 62 -0.678 2.588 -2.511 1.00 0.00 H new ATOM 0 HA TYR A 62 0.333 0.076 -1.322 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -2.337 0.688 -2.648 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -1.890 -0.815 -1.865 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -2.184 2.850 -1.108 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -2.472 -1.132 0.382 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -3.025 3.713 1.032 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -3.318 -0.272 2.521 1.00 0.00 H new ATOM 0 HH TYR A 62 -3.872 1.506 3.709 1.00 0.00 H new ATOM 932 N VAL A 63 0.506 -1.228 -3.505 1.00 0.00 N ATOM 933 CA VAL A 63 0.927 -1.854 -4.753 1.00 0.00 C ATOM 934 C VAL A 63 0.457 -3.302 -4.828 1.00 0.00 C ATOM 935 O VAL A 63 0.705 -4.094 -3.919 1.00 0.00 O ATOM 936 CB VAL A 63 2.459 -1.814 -4.912 1.00 0.00 C ATOM 937 CG1 VAL A 63 2.884 -2.552 -6.172 1.00 0.00 C ATOM 938 CG2 VAL A 63 2.955 -0.377 -4.932 1.00 0.00 C ATOM 0 H VAL A 63 0.509 -1.852 -2.698 1.00 0.00 H new ATOM 0 HA VAL A 63 0.470 -1.285 -5.562 1.00 0.00 H new ATOM 0 HB VAL A 63 2.909 -2.317 -4.056 1.00 0.00 H new ATOM 0 HG11 VAL A 63 3.969 -2.513 -6.268 1.00 0.00 H new ATOM 0 HG12 VAL A 63 2.562 -3.592 -6.111 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.426 -2.081 -7.042 1.00 0.00 H new ATOM 0 HG21 VAL A 63 4.039 -0.368 -5.045 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.499 0.154 -5.767 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.683 0.115 -3.998 1.00 0.00 H new ATOM 948 N ILE A 64 -0.224 -3.641 -5.918 1.00 0.00 N ATOM 949 CA ILE A 64 -0.729 -4.995 -6.112 1.00 0.00 C ATOM 950 C ILE A 64 0.413 -6.005 -6.161 1.00 0.00 C ATOM 951 O ILE A 64 1.270 -5.947 -7.044 1.00 0.00 O ATOM 952 CB ILE A 64 -1.555 -5.107 -7.407 1.00 0.00 C ATOM 953 CG1 ILE A 64 -2.694 -4.085 -7.401 1.00 0.00 C ATOM 954 CG2 ILE A 64 -2.102 -6.518 -7.565 1.00 0.00 C ATOM 955 CD1 ILE A 64 -3.245 -3.787 -8.778 1.00 0.00 C ATOM 0 H ILE A 64 -0.439 -2.997 -6.680 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.372 -5.218 -5.261 1.00 0.00 H new ATOM 0 HB ILE A 64 -0.905 -4.893 -8.256 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -3.500 -4.455 -6.768 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -2.337 -3.158 -6.953 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -2.684 -6.582 -8.485 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -1.275 -7.226 -7.609 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -2.740 -6.758 -6.715 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -4.049 -3.055 -8.698 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -2.451 -3.387 -9.409 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -3.633 -4.704 -9.221 1.00 0.00 H new ATOM 967 N LEU A 65 0.417 -6.931 -5.209 1.00 0.00 N ATOM 968 CA LEU A 65 1.452 -7.957 -5.144 1.00 0.00 C ATOM 969 C LEU A 65 0.985 -9.245 -5.814 1.00 0.00 C ATOM 970 O LEU A 65 1.769 -9.941 -6.458 1.00 0.00 O ATOM 971 CB LEU A 65 1.832 -8.234 -3.689 1.00 0.00 C ATOM 972 CG LEU A 65 2.803 -7.242 -3.048 1.00 0.00 C ATOM 973 CD1 LEU A 65 3.160 -7.680 -1.636 1.00 0.00 C ATOM 974 CD2 LEU A 65 4.058 -7.100 -3.897 1.00 0.00 C ATOM 0 H LEU A 65 -0.285 -6.993 -4.471 1.00 0.00 H new ATOM 0 HA LEU A 65 2.328 -7.589 -5.678 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.919 -8.254 -3.094 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.272 -9.230 -3.633 1.00 0.00 H new ATOM 0 HG LEU A 65 2.314 -6.270 -2.992 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.852 -6.962 -1.196 1.00 0.00 H new ATOM 0 HD12 LEU A 65 2.255 -7.730 -1.031 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.629 -8.663 -1.668 1.00 0.00 H new ATOM 0 HD21 LEU A 65 4.738 -6.390 -3.426 1.00 0.00 H new ATOM 0 HD22 LEU A 65 4.549 -8.069 -3.985 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.787 -6.739 -4.889 1.00 0.00 H new ATOM 986 N ASN A 66 -0.298 -9.555 -5.659 1.00 0.00 N ATOM 987 CA ASN A 66 -0.870 -10.759 -6.250 1.00 0.00 C ATOM 988 C ASN A 66 -2.393 -10.675 -6.288 1.00 0.00 C ATOM 989 O ASN A 66 -3.031 -10.318 -5.299 1.00 0.00 O ATOM 990 CB ASN A 66 -0.436 -11.996 -5.461 1.00 0.00 C ATOM 991 CG ASN A 66 -0.643 -13.281 -6.240 1.00 0.00 C ATOM 992 OD1 ASN A 66 0.107 -13.586 -7.167 1.00 0.00 O ATOM 993 ND2 ASN A 66 -1.666 -14.041 -5.866 1.00 0.00 N ATOM 0 H ASN A 66 -0.961 -8.989 -5.129 1.00 0.00 H new ATOM 0 HA ASN A 66 -0.502 -10.842 -7.273 1.00 0.00 H new ATOM 0 HB2 ASN A 66 0.616 -11.902 -5.193 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -0.999 -12.045 -4.529 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -1.856 -14.917 -6.353 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -2.262 -13.749 -5.092 1.00 0.00 H new ATOM 1000 N GLY A 67 -2.970 -11.009 -7.439 1.00 0.00 N ATOM 1001 CA GLY A 67 -4.414 -10.965 -7.585 1.00 0.00 C ATOM 1002 C GLY A 67 -4.882 -9.748 -8.357 1.00 0.00 C ATOM 1003 O GLY A 67 -4.073 -9.019 -8.932 1.00 0.00 O ATOM 0 H GLY A 67 -2.464 -11.309 -8.272 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -4.752 -11.867 -8.095 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -4.876 -10.965 -6.598 1.00 0.00 H new ATOM 1007 N THR A 68 -6.193 -9.527 -8.373 1.00 0.00 N ATOM 1008 CA THR A 68 -6.768 -8.392 -9.083 1.00 0.00 C ATOM 1009 C THR A 68 -7.651 -7.558 -8.162 1.00 0.00 C ATOM 1010 O THR A 68 -8.390 -8.097 -7.338 1.00 0.00 O ATOM 1011 CB THR A 68 -7.600 -8.851 -10.296 1.00 0.00 C ATOM 1012 OG1 THR A 68 -6.742 -9.419 -11.292 1.00 0.00 O ATOM 1013 CG2 THR A 68 -8.375 -7.686 -10.892 1.00 0.00 C ATOM 0 H THR A 68 -6.876 -10.120 -7.902 1.00 0.00 H new ATOM 0 HA THR A 68 -5.935 -7.783 -9.433 1.00 0.00 H new ATOM 0 HB THR A 68 -8.311 -9.605 -9.957 1.00 0.00 H new ATOM 0 HG1 THR A 68 -7.279 -9.710 -12.059 1.00 0.00 H new ATOM 0 HG21 THR A 68 -8.955 -8.034 -11.747 1.00 0.00 H new ATOM 0 HG22 THR A 68 -9.048 -7.274 -10.140 1.00 0.00 H new ATOM 0 HG23 THR A 68 -7.678 -6.913 -11.217 1.00 0.00 H new ATOM 1021 N VAL A 69 -7.571 -6.239 -8.308 1.00 0.00 N ATOM 1022 CA VAL A 69 -8.365 -5.330 -7.490 1.00 0.00 C ATOM 1023 C VAL A 69 -9.221 -4.415 -8.358 1.00 0.00 C ATOM 1024 O VAL A 69 -8.746 -3.860 -9.348 1.00 0.00 O ATOM 1025 CB VAL A 69 -7.470 -4.466 -6.581 1.00 0.00 C ATOM 1026 CG1 VAL A 69 -6.788 -5.327 -5.529 1.00 0.00 C ATOM 1027 CG2 VAL A 69 -6.443 -3.709 -7.410 1.00 0.00 C ATOM 0 H VAL A 69 -6.964 -5.776 -8.985 1.00 0.00 H new ATOM 0 HA VAL A 69 -9.013 -5.948 -6.869 1.00 0.00 H new ATOM 0 HB VAL A 69 -8.098 -3.738 -6.068 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -6.160 -4.699 -4.896 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -7.543 -5.819 -4.916 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -6.171 -6.080 -6.019 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -5.819 -3.104 -6.752 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -5.818 -4.419 -7.951 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -6.956 -3.061 -8.121 1.00 0.00 H new ATOM 1037 N GLU A 70 -10.486 -4.263 -7.979 1.00 0.00 N ATOM 1038 CA GLU A 70 -11.410 -3.415 -8.725 1.00 0.00 C ATOM 1039 C GLU A 70 -11.695 -2.123 -7.966 1.00 0.00 C ATOM 1040 O GLU A 70 -12.036 -2.148 -6.783 1.00 0.00 O ATOM 1041 CB GLU A 70 -12.718 -4.162 -8.993 1.00 0.00 C ATOM 1042 CG GLU A 70 -13.727 -3.353 -9.791 1.00 0.00 C ATOM 1043 CD GLU A 70 -14.822 -4.214 -10.390 1.00 0.00 C ATOM 1044 OE1 GLU A 70 -15.685 -4.693 -9.625 1.00 0.00 O ATOM 1045 OE2 GLU A 70 -14.816 -4.409 -11.624 1.00 0.00 O ATOM 0 H GLU A 70 -10.895 -4.715 -7.161 1.00 0.00 H new ATOM 0 HA GLU A 70 -10.943 -3.161 -9.677 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -12.497 -5.084 -9.531 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -13.165 -4.448 -8.041 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -14.176 -2.599 -9.144 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -13.210 -2.821 -10.590 1.00 0.00 H new ATOM 1052 N ILE A 71 -11.552 -0.995 -8.654 1.00 0.00 N ATOM 1053 CA ILE A 71 -11.794 0.307 -8.046 1.00 0.00 C ATOM 1054 C ILE A 71 -13.102 0.911 -8.544 1.00 0.00 C ATOM 1055 O ILE A 71 -13.411 0.853 -9.735 1.00 0.00 O ATOM 1056 CB ILE A 71 -10.644 1.288 -8.338 1.00 0.00 C ATOM 1057 CG1 ILE A 71 -9.315 0.711 -7.846 1.00 0.00 C ATOM 1058 CG2 ILE A 71 -10.917 2.635 -7.686 1.00 0.00 C ATOM 1059 CD1 ILE A 71 -8.111 1.525 -8.265 1.00 0.00 C ATOM 0 H ILE A 71 -11.270 -0.957 -9.633 1.00 0.00 H new ATOM 0 HA ILE A 71 -11.857 0.146 -6.970 1.00 0.00 H new ATOM 0 HB ILE A 71 -10.578 1.436 -9.416 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -9.338 0.644 -6.758 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -9.207 -0.305 -8.226 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -10.095 3.317 -7.902 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -11.845 3.049 -8.081 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -11.007 2.506 -6.607 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -7.204 1.057 -7.881 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -8.063 1.571 -9.353 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -8.197 2.535 -7.863 1.00 0.00 H new ATOM 1071 N SER A 72 -13.867 1.493 -7.626 1.00 0.00 N ATOM 1072 CA SER A 72 -15.143 2.108 -7.972 1.00 0.00 C ATOM 1073 C SER A 72 -15.146 3.592 -7.617 1.00 0.00 C ATOM 1074 O SER A 72 -14.781 3.977 -6.506 1.00 0.00 O ATOM 1075 CB SER A 72 -16.288 1.397 -7.248 1.00 0.00 C ATOM 1076 OG SER A 72 -16.633 0.188 -7.902 1.00 0.00 O ATOM 0 H SER A 72 -13.625 1.552 -6.637 1.00 0.00 H new ATOM 0 HA SER A 72 -15.285 2.010 -9.048 1.00 0.00 H new ATOM 0 HB2 SER A 72 -15.997 1.187 -6.219 1.00 0.00 H new ATOM 0 HB3 SER A 72 -17.158 2.052 -7.206 1.00 0.00 H new ATOM 0 HG SER A 72 -17.366 -0.248 -7.419 1.00 0.00 H new ATOM 1082 N HIS A 73 -15.560 4.421 -8.570 1.00 0.00 N ATOM 1083 CA HIS A 73 -15.611 5.863 -8.359 1.00 0.00 C ATOM 1084 C HIS A 73 -17.052 6.338 -8.199 1.00 0.00 C ATOM 1085 O HIS A 73 -17.979 5.802 -8.806 1.00 0.00 O ATOM 1086 CB HIS A 73 -14.948 6.594 -9.526 1.00 0.00 C ATOM 1087 CG HIS A 73 -13.474 6.349 -9.626 1.00 0.00 C ATOM 1088 ND1 HIS A 73 -12.537 7.109 -8.958 1.00 0.00 N ATOM 1089 CD2 HIS A 73 -12.776 5.421 -10.322 1.00 0.00 C ATOM 1090 CE1 HIS A 73 -11.327 6.659 -9.239 1.00 0.00 C ATOM 1091 NE2 HIS A 73 -11.444 5.635 -10.064 1.00 0.00 N ATOM 0 H HIS A 73 -15.865 4.119 -9.495 1.00 0.00 H new ATOM 0 HA HIS A 73 -15.068 6.090 -7.442 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -15.424 6.283 -10.456 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -15.124 7.665 -9.420 1.00 0.00 H new ATOM 0 HD1 HIS A 73 -12.746 7.896 -8.343 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -13.190 4.655 -10.961 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -10.400 7.061 -8.858 1.00 0.00 H new ATOM 1100 N PRO A 74 -17.247 7.367 -7.361 1.00 0.00 N ATOM 1101 CA PRO A 74 -18.573 7.937 -7.101 1.00 0.00 C ATOM 1102 C PRO A 74 -19.128 8.686 -8.307 1.00 0.00 C ATOM 1103 O PRO A 74 -20.336 8.902 -8.414 1.00 0.00 O ATOM 1104 CB PRO A 74 -18.323 8.903 -5.940 1.00 0.00 C ATOM 1105 CG PRO A 74 -16.884 9.271 -6.057 1.00 0.00 C ATOM 1106 CD PRO A 74 -16.188 8.055 -6.603 1.00 0.00 C ATOM 0 HA PRO A 74 -19.312 7.166 -6.880 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -18.964 9.782 -6.011 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -18.534 8.432 -4.980 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -16.753 10.126 -6.720 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -16.473 9.553 -5.088 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -15.348 8.326 -7.242 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -15.792 7.427 -5.805 1.00 0.00 H new ATOM 1114 N ASP A 75 -18.240 9.080 -9.214 1.00 0.00 N ATOM 1115 CA ASP A 75 -18.642 9.804 -10.414 1.00 0.00 C ATOM 1116 C ASP A 75 -19.278 8.861 -11.430 1.00 0.00 C ATOM 1117 O ASP A 75 -20.267 9.204 -12.077 1.00 0.00 O ATOM 1118 CB ASP A 75 -17.437 10.509 -11.038 1.00 0.00 C ATOM 1119 CG ASP A 75 -16.234 9.595 -11.166 1.00 0.00 C ATOM 1120 OD1 ASP A 75 -16.283 8.662 -11.995 1.00 0.00 O ATOM 1121 OD2 ASP A 75 -15.244 9.811 -10.436 1.00 0.00 O ATOM 0 H ASP A 75 -17.237 8.910 -9.141 1.00 0.00 H new ATOM 0 HA ASP A 75 -19.381 10.552 -10.127 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -17.710 10.885 -12.024 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -17.170 11.373 -10.430 1.00 0.00 H new ATOM 1126 N GLY A 76 -18.702 7.670 -11.566 1.00 0.00 N ATOM 1127 CA GLY A 76 -19.226 6.696 -12.506 1.00 0.00 C ATOM 1128 C GLY A 76 -18.131 6.002 -13.292 1.00 0.00 C ATOM 1129 O GLY A 76 -18.332 5.613 -14.443 1.00 0.00 O ATOM 0 H GLY A 76 -17.882 7.363 -11.042 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -19.809 5.951 -11.965 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -19.907 7.193 -13.198 1.00 0.00 H new ATOM 1133 N LYS A 77 -16.966 5.848 -12.671 1.00 0.00 N ATOM 1134 CA LYS A 77 -15.833 5.197 -13.319 1.00 0.00 C ATOM 1135 C LYS A 77 -15.339 4.015 -12.491 1.00 0.00 C ATOM 1136 O LYS A 77 -15.447 4.014 -11.265 1.00 0.00 O ATOM 1137 CB LYS A 77 -14.695 6.198 -13.528 1.00 0.00 C ATOM 1138 CG LYS A 77 -13.678 5.755 -14.566 1.00 0.00 C ATOM 1139 CD LYS A 77 -12.332 6.424 -14.349 1.00 0.00 C ATOM 1140 CE LYS A 77 -12.318 7.841 -14.904 1.00 0.00 C ATOM 1141 NZ LYS A 77 -11.250 8.670 -14.280 1.00 0.00 N ATOM 0 H LYS A 77 -16.782 6.165 -11.719 1.00 0.00 H new ATOM 0 HA LYS A 77 -16.165 4.826 -14.289 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -15.117 7.157 -13.831 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -14.185 6.360 -12.578 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -13.559 4.672 -14.521 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -14.047 5.994 -15.563 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -12.104 6.447 -13.283 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -11.550 5.836 -14.830 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -12.168 7.807 -15.983 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -13.288 8.308 -14.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -11.273 9.628 -14.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -11.407 8.724 -13.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -10.322 8.238 -14.466 1.00 0.00 H new ATOM 1155 N VAL A 78 -14.796 3.009 -13.170 1.00 0.00 N ATOM 1156 CA VAL A 78 -14.282 1.822 -12.497 1.00 0.00 C ATOM 1157 C VAL A 78 -12.941 1.394 -13.084 1.00 0.00 C ATOM 1158 O VAL A 78 -12.875 0.901 -14.209 1.00 0.00 O ATOM 1159 CB VAL A 78 -15.273 0.647 -12.599 1.00 0.00 C ATOM 1160 CG1 VAL A 78 -14.722 -0.579 -11.886 1.00 0.00 C ATOM 1161 CG2 VAL A 78 -16.627 1.041 -12.029 1.00 0.00 C ATOM 0 H VAL A 78 -14.701 2.993 -14.185 1.00 0.00 H new ATOM 0 HA VAL A 78 -14.148 2.086 -11.448 1.00 0.00 H new ATOM 0 HB VAL A 78 -15.406 0.397 -13.652 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -15.435 -1.399 -11.968 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -13.777 -0.872 -12.344 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -14.558 -0.345 -10.834 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -17.315 0.199 -12.109 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -16.514 1.318 -10.981 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -17.024 1.888 -12.588 1.00 0.00 H new ATOM 1171 N GLU A 79 -11.876 1.587 -12.313 1.00 0.00 N ATOM 1172 CA GLU A 79 -10.536 1.221 -12.757 1.00 0.00 C ATOM 1173 C GLU A 79 -10.214 -0.222 -12.382 1.00 0.00 C ATOM 1174 O GLU A 79 -10.448 -0.648 -11.252 1.00 0.00 O ATOM 1175 CB GLU A 79 -9.497 2.163 -12.145 1.00 0.00 C ATOM 1176 CG GLU A 79 -9.230 3.402 -12.983 1.00 0.00 C ATOM 1177 CD GLU A 79 -8.456 4.463 -12.225 1.00 0.00 C ATOM 1178 OE1 GLU A 79 -7.290 4.201 -11.863 1.00 0.00 O ATOM 1179 OE2 GLU A 79 -9.016 5.555 -11.993 1.00 0.00 O ATOM 0 H GLU A 79 -11.915 1.994 -11.379 1.00 0.00 H new ATOM 0 HA GLU A 79 -10.503 1.312 -13.843 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -9.836 2.470 -11.155 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -8.562 1.619 -12.008 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -8.672 3.119 -13.876 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -10.179 3.820 -13.319 1.00 0.00 H new ATOM 1186 N ASN A 80 -9.675 -0.970 -13.340 1.00 0.00 N ATOM 1187 CA ASN A 80 -9.321 -2.366 -13.111 1.00 0.00 C ATOM 1188 C ASN A 80 -7.809 -2.560 -13.162 1.00 0.00 C ATOM 1189 O ASN A 80 -7.198 -2.489 -14.230 1.00 0.00 O ATOM 1190 CB ASN A 80 -9.997 -3.262 -14.152 1.00 0.00 C ATOM 1191 CG ASN A 80 -11.318 -2.695 -14.632 1.00 0.00 C ATOM 1192 OD1 ASN A 80 -12.216 -2.422 -13.835 1.00 0.00 O ATOM 1193 ND2 ASN A 80 -11.444 -2.515 -15.942 1.00 0.00 N ATOM 0 H ASN A 80 -9.474 -0.633 -14.281 1.00 0.00 H new ATOM 0 HA ASN A 80 -9.671 -2.645 -12.117 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -9.330 -3.392 -15.004 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -10.163 -4.250 -13.724 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -12.311 -2.137 -16.324 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -10.674 -2.755 -16.566 1.00 0.00 H new ATOM 1200 N LEU A 81 -7.210 -2.804 -12.002 1.00 0.00 N ATOM 1201 CA LEU A 81 -5.769 -3.009 -11.913 1.00 0.00 C ATOM 1202 C LEU A 81 -5.433 -4.495 -11.838 1.00 0.00 C ATOM 1203 O LEU A 81 -6.247 -5.304 -11.393 1.00 0.00 O ATOM 1204 CB LEU A 81 -5.205 -2.285 -10.688 1.00 0.00 C ATOM 1205 CG LEU A 81 -5.525 -0.793 -10.585 1.00 0.00 C ATOM 1206 CD1 LEU A 81 -5.343 -0.307 -9.155 1.00 0.00 C ATOM 1207 CD2 LEU A 81 -4.650 0.007 -11.538 1.00 0.00 C ATOM 0 H LEU A 81 -7.700 -2.865 -11.110 1.00 0.00 H new ATOM 0 HA LEU A 81 -5.313 -2.597 -12.813 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -5.582 -2.780 -9.793 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -4.122 -2.405 -10.687 1.00 0.00 H new ATOM 0 HG LEU A 81 -6.567 -0.643 -10.869 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -5.575 0.757 -9.100 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.012 -0.859 -8.495 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -4.311 -0.470 -8.844 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -4.891 1.066 -11.451 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -3.601 -0.148 -11.286 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.830 -0.323 -12.561 1.00 0.00 H new ATOM 1219 N PHE A 82 -4.228 -4.847 -12.275 1.00 0.00 N ATOM 1220 CA PHE A 82 -3.784 -6.236 -12.257 1.00 0.00 C ATOM 1221 C PHE A 82 -2.382 -6.351 -11.667 1.00 0.00 C ATOM 1222 O PHE A 82 -1.720 -5.345 -11.413 1.00 0.00 O ATOM 1223 CB PHE A 82 -3.804 -6.818 -13.672 1.00 0.00 C ATOM 1224 CG PHE A 82 -5.145 -6.723 -14.341 1.00 0.00 C ATOM 1225 CD1 PHE A 82 -6.112 -7.692 -14.125 1.00 0.00 C ATOM 1226 CD2 PHE A 82 -5.439 -5.665 -15.185 1.00 0.00 C ATOM 1227 CE1 PHE A 82 -7.347 -7.607 -14.740 1.00 0.00 C ATOM 1228 CE2 PHE A 82 -6.672 -5.574 -15.803 1.00 0.00 C ATOM 1229 CZ PHE A 82 -7.628 -6.546 -15.579 1.00 0.00 C ATOM 0 H PHE A 82 -3.542 -4.190 -12.646 1.00 0.00 H new ATOM 0 HA PHE A 82 -4.471 -6.803 -11.629 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -3.065 -6.297 -14.281 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -3.501 -7.864 -13.630 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -5.898 -8.523 -13.469 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -4.696 -4.902 -15.362 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -8.092 -8.369 -14.565 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -6.888 -4.744 -16.460 1.00 0.00 H new ATOM 0 HZ PHE A 82 -8.593 -6.477 -16.059 1.00 0.00 H new ATOM 1239 N MET A 83 -1.936 -7.584 -11.451 1.00 0.00 N ATOM 1240 CA MET A 83 -0.613 -7.831 -10.891 1.00 0.00 C ATOM 1241 C MET A 83 0.434 -6.946 -11.560 1.00 0.00 C ATOM 1242 O MET A 83 0.658 -7.036 -12.766 1.00 0.00 O ATOM 1243 CB MET A 83 -0.233 -9.304 -11.055 1.00 0.00 C ATOM 1244 CG MET A 83 1.181 -9.621 -10.596 1.00 0.00 C ATOM 1245 SD MET A 83 1.448 -11.386 -10.339 1.00 0.00 S ATOM 1246 CE MET A 83 3.050 -11.373 -9.538 1.00 0.00 C ATOM 0 H MET A 83 -2.472 -8.428 -11.655 1.00 0.00 H new ATOM 0 HA MET A 83 -0.644 -7.588 -9.829 1.00 0.00 H new ATOM 0 HB2 MET A 83 -0.936 -9.917 -10.491 1.00 0.00 H new ATOM 0 HB3 MET A 83 -0.337 -9.583 -12.103 1.00 0.00 H new ATOM 0 HG2 MET A 83 1.891 -9.254 -11.338 1.00 0.00 H new ATOM 0 HG3 MET A 83 1.386 -9.087 -9.668 1.00 0.00 H new ATOM 0 HE1 MET A 83 3.353 -12.396 -9.315 1.00 0.00 H new ATOM 0 HE2 MET A 83 3.784 -10.913 -10.200 1.00 0.00 H new ATOM 0 HE3 MET A 83 2.989 -10.802 -8.611 1.00 0.00 H new ATOM 1256 N GLY A 84 1.073 -6.090 -10.768 1.00 0.00 N ATOM 1257 CA GLY A 84 2.089 -5.201 -11.302 1.00 0.00 C ATOM 1258 C GLY A 84 1.695 -3.741 -11.196 1.00 0.00 C ATOM 1259 O GLY A 84 2.547 -2.874 -11.010 1.00 0.00 O ATOM 0 H GLY A 84 0.905 -5.996 -9.766 1.00 0.00 H new ATOM 0 HA2 GLY A 84 3.025 -5.361 -10.767 1.00 0.00 H new ATOM 0 HA3 GLY A 84 2.272 -5.450 -12.347 1.00 0.00 H new ATOM 1263 N ASN A 85 0.399 -3.469 -11.316 1.00 0.00 N ATOM 1264 CA ASN A 85 -0.105 -2.103 -11.234 1.00 0.00 C ATOM 1265 C ASN A 85 0.170 -1.502 -9.859 1.00 0.00 C ATOM 1266 O ASN A 85 0.721 -2.165 -8.980 1.00 0.00 O ATOM 1267 CB ASN A 85 -1.607 -2.074 -11.524 1.00 0.00 C ATOM 1268 CG ASN A 85 -1.909 -2.049 -13.010 1.00 0.00 C ATOM 1269 OD1 ASN A 85 -2.452 -3.006 -13.561 1.00 0.00 O ATOM 1270 ND2 ASN A 85 -1.557 -0.949 -13.666 1.00 0.00 N ATOM 0 H ASN A 85 -0.320 -4.176 -11.470 1.00 0.00 H new ATOM 0 HA ASN A 85 0.415 -1.505 -11.982 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -2.078 -2.949 -11.075 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -2.049 -1.197 -11.052 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -1.735 -0.874 -14.668 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -1.109 -0.180 -13.168 1.00 0.00 H new ATOM 1277 N SER A 86 -0.217 -0.243 -9.681 1.00 0.00 N ATOM 1278 CA SER A 86 -0.009 0.448 -8.414 1.00 0.00 C ATOM 1279 C SER A 86 -1.163 1.401 -8.120 1.00 0.00 C ATOM 1280 O SER A 86 -1.861 1.849 -9.029 1.00 0.00 O ATOM 1281 CB SER A 86 1.311 1.222 -8.442 1.00 0.00 C ATOM 1282 OG SER A 86 1.153 2.477 -9.080 1.00 0.00 O ATOM 0 H SER A 86 -0.676 0.319 -10.398 1.00 0.00 H new ATOM 0 HA SER A 86 0.033 -0.300 -7.623 1.00 0.00 H new ATOM 0 HB2 SER A 86 1.670 1.371 -7.424 1.00 0.00 H new ATOM 0 HB3 SER A 86 2.068 0.637 -8.965 1.00 0.00 H new ATOM 0 HG SER A 86 2.010 2.952 -9.083 1.00 0.00 H new ATOM 1288 N PHE A 87 -1.359 1.706 -6.841 1.00 0.00 N ATOM 1289 CA PHE A 87 -2.429 2.605 -6.424 1.00 0.00 C ATOM 1290 C PHE A 87 -2.268 3.000 -4.959 1.00 0.00 C ATOM 1291 O PHE A 87 -1.774 2.220 -4.145 1.00 0.00 O ATOM 1292 CB PHE A 87 -3.792 1.943 -6.639 1.00 0.00 C ATOM 1293 CG PHE A 87 -4.029 0.756 -5.749 1.00 0.00 C ATOM 1294 CD1 PHE A 87 -4.485 0.927 -4.452 1.00 0.00 C ATOM 1295 CD2 PHE A 87 -3.796 -0.529 -6.209 1.00 0.00 C ATOM 1296 CE1 PHE A 87 -4.703 -0.163 -3.630 1.00 0.00 C ATOM 1297 CE2 PHE A 87 -4.013 -1.623 -5.393 1.00 0.00 C ATOM 1298 CZ PHE A 87 -4.468 -1.440 -4.102 1.00 0.00 C ATOM 0 H PHE A 87 -0.791 1.344 -6.075 1.00 0.00 H new ATOM 0 HA PHE A 87 -2.370 3.507 -7.033 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -4.576 2.680 -6.465 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -3.874 1.629 -7.680 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -4.672 1.923 -4.079 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -3.440 -0.678 -7.218 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -5.057 -0.016 -2.620 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -3.827 -2.620 -5.764 1.00 0.00 H new ATOM 0 HZ PHE A 87 -4.640 -2.293 -3.463 1.00 0.00 H new ATOM 1308 N GLY A 88 -2.689 4.218 -4.631 1.00 0.00 N ATOM 1309 CA GLY A 88 -2.582 4.696 -3.265 1.00 0.00 C ATOM 1310 C GLY A 88 -2.312 6.186 -3.192 1.00 0.00 C ATOM 1311 O GLY A 88 -3.224 6.978 -2.958 1.00 0.00 O ATOM 0 H GLY A 88 -3.102 4.882 -5.286 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -3.505 4.470 -2.731 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -1.781 4.159 -2.757 1.00 0.00 H new ATOM 1315 N ILE A 89 -1.055 6.568 -3.392 1.00 0.00 N ATOM 1316 CA ILE A 89 -0.667 7.972 -3.347 1.00 0.00 C ATOM 1317 C ILE A 89 0.568 8.229 -4.203 1.00 0.00 C ATOM 1318 O ILE A 89 1.247 7.295 -4.631 1.00 0.00 O ATOM 1319 CB ILE A 89 -0.383 8.432 -1.905 1.00 0.00 C ATOM 1320 CG1 ILE A 89 0.867 7.737 -1.361 1.00 0.00 C ATOM 1321 CG2 ILE A 89 -1.583 8.149 -1.013 1.00 0.00 C ATOM 1322 CD1 ILE A 89 1.579 8.528 -0.286 1.00 0.00 C ATOM 0 H ILE A 89 -0.288 5.924 -3.587 1.00 0.00 H new ATOM 0 HA ILE A 89 -1.506 8.544 -3.743 1.00 0.00 H new ATOM 0 HB ILE A 89 -0.204 9.507 -1.911 1.00 0.00 H new ATOM 0 HG12 ILE A 89 0.586 6.764 -0.958 1.00 0.00 H new ATOM 0 HG13 ILE A 89 1.558 7.554 -2.184 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -1.367 8.480 0.003 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -2.453 8.686 -1.392 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -1.790 7.079 -1.010 1.00 0.00 H new ATOM 0 HD11 ILE A 89 2.455 7.975 0.053 1.00 0.00 H new ATOM 0 HD12 ILE A 89 1.892 9.491 -0.690 1.00 0.00 H new ATOM 0 HD13 ILE A 89 0.904 8.689 0.555 1.00 0.00 H new ATOM 1334 N THR A 90 0.857 9.503 -4.448 1.00 0.00 N ATOM 1335 CA THR A 90 2.011 9.885 -5.252 1.00 0.00 C ATOM 1336 C THR A 90 3.249 10.073 -4.382 1.00 0.00 C ATOM 1337 O THR A 90 3.162 10.253 -3.168 1.00 0.00 O ATOM 1338 CB THR A 90 1.746 11.184 -6.036 1.00 0.00 C ATOM 1339 OG1 THR A 90 0.820 12.008 -5.319 1.00 0.00 O ATOM 1340 CG2 THR A 90 1.194 10.878 -7.420 1.00 0.00 C ATOM 0 H THR A 90 0.307 10.289 -4.101 1.00 0.00 H new ATOM 0 HA THR A 90 2.186 9.073 -5.958 1.00 0.00 H new ATOM 0 HB THR A 90 2.692 11.714 -6.149 1.00 0.00 H new ATOM 0 HG1 THR A 90 -0.094 11.700 -5.492 1.00 0.00 H new ATOM 0 HG21 THR A 90 1.015 11.811 -7.955 1.00 0.00 H new ATOM 0 HG22 THR A 90 1.914 10.275 -7.974 1.00 0.00 H new ATOM 0 HG23 THR A 90 0.257 10.329 -7.325 1.00 0.00 H new ATOM 1348 N PRO A 91 4.431 10.032 -5.016 1.00 0.00 N ATOM 1349 CA PRO A 91 5.709 10.198 -4.319 1.00 0.00 C ATOM 1350 C PRO A 91 5.916 11.623 -3.818 1.00 0.00 C ATOM 1351 O PRO A 91 6.965 11.952 -3.263 1.00 0.00 O ATOM 1352 CB PRO A 91 6.745 9.852 -5.391 1.00 0.00 C ATOM 1353 CG PRO A 91 6.063 10.137 -6.684 1.00 0.00 C ATOM 1354 CD PRO A 91 4.609 9.822 -6.463 1.00 0.00 C ATOM 0 HA PRO A 91 5.772 9.573 -3.428 1.00 0.00 H new ATOM 0 HB2 PRO A 91 7.647 10.454 -5.278 1.00 0.00 H new ATOM 0 HB3 PRO A 91 7.048 8.807 -5.326 1.00 0.00 H new ATOM 0 HG2 PRO A 91 6.197 11.179 -6.975 1.00 0.00 H new ATOM 0 HG3 PRO A 91 6.477 9.527 -7.487 1.00 0.00 H new ATOM 0 HD2 PRO A 91 3.963 10.477 -7.047 1.00 0.00 H new ATOM 0 HD3 PRO A 91 4.371 8.799 -6.753 1.00 0.00 H new ATOM 1362 N THR A 92 4.909 12.468 -4.018 1.00 0.00 N ATOM 1363 CA THR A 92 4.981 13.859 -3.588 1.00 0.00 C ATOM 1364 C THR A 92 4.460 14.021 -2.165 1.00 0.00 C ATOM 1365 O THR A 92 3.597 13.265 -1.718 1.00 0.00 O ATOM 1366 CB THR A 92 4.176 14.779 -4.525 1.00 0.00 C ATOM 1367 OG1 THR A 92 2.855 14.258 -4.707 1.00 0.00 O ATOM 1368 CG2 THR A 92 4.865 14.912 -5.875 1.00 0.00 C ATOM 0 H THR A 92 4.034 12.213 -4.475 1.00 0.00 H new ATOM 0 HA THR A 92 6.032 14.147 -3.623 1.00 0.00 H new ATOM 0 HB THR A 92 4.116 15.766 -4.066 1.00 0.00 H new ATOM 0 HG1 THR A 92 2.349 14.849 -5.303 1.00 0.00 H new ATOM 0 HG21 THR A 92 4.278 15.566 -6.520 1.00 0.00 H new ATOM 0 HG22 THR A 92 5.859 15.336 -5.736 1.00 0.00 H new ATOM 0 HG23 THR A 92 4.952 13.929 -6.338 1.00 0.00 H new ATOM 1376 N LEU A 93 4.989 15.012 -1.456 1.00 0.00 N ATOM 1377 CA LEU A 93 4.577 15.275 -0.081 1.00 0.00 C ATOM 1378 C LEU A 93 3.129 15.753 -0.029 1.00 0.00 C ATOM 1379 O LEU A 93 2.475 15.670 1.011 1.00 0.00 O ATOM 1380 CB LEU A 93 5.494 16.320 0.556 1.00 0.00 C ATOM 1381 CG LEU A 93 6.814 15.797 1.125 1.00 0.00 C ATOM 1382 CD1 LEU A 93 7.481 16.858 1.987 1.00 0.00 C ATOM 1383 CD2 LEU A 93 6.583 14.524 1.926 1.00 0.00 C ATOM 0 H LEU A 93 5.704 15.647 -1.810 1.00 0.00 H new ATOM 0 HA LEU A 93 4.654 14.344 0.480 1.00 0.00 H new ATOM 0 HB2 LEU A 93 5.720 17.080 -0.192 1.00 0.00 H new ATOM 0 HB3 LEU A 93 4.946 16.814 1.358 1.00 0.00 H new ATOM 0 HG LEU A 93 7.479 15.563 0.293 1.00 0.00 H new ATOM 0 HD11 LEU A 93 8.419 16.468 2.383 1.00 0.00 H new ATOM 0 HD12 LEU A 93 7.682 17.743 1.384 1.00 0.00 H new ATOM 0 HD13 LEU A 93 6.821 17.124 2.813 1.00 0.00 H new ATOM 0 HD21 LEU A 93 7.533 14.166 2.323 1.00 0.00 H new ATOM 0 HD22 LEU A 93 5.900 14.731 2.750 1.00 0.00 H new ATOM 0 HD23 LEU A 93 6.150 13.761 1.279 1.00 0.00 H new ATOM 1395 N ASP A 94 2.635 16.251 -1.157 1.00 0.00 N ATOM 1396 CA ASP A 94 1.263 16.738 -1.241 1.00 0.00 C ATOM 1397 C ASP A 94 0.276 15.661 -0.805 1.00 0.00 C ATOM 1398 O ASP A 94 0.343 14.520 -1.263 1.00 0.00 O ATOM 1399 CB ASP A 94 0.947 17.191 -2.667 1.00 0.00 C ATOM 1400 CG ASP A 94 1.324 18.639 -2.912 1.00 0.00 C ATOM 1401 OD1 ASP A 94 0.757 19.523 -2.235 1.00 0.00 O ATOM 1402 OD2 ASP A 94 2.186 18.889 -3.780 1.00 0.00 O ATOM 0 H ASP A 94 3.164 16.328 -2.026 1.00 0.00 H new ATOM 0 HA ASP A 94 1.164 17.589 -0.567 1.00 0.00 H new ATOM 0 HB2 ASP A 94 1.481 16.555 -3.374 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -0.118 17.058 -2.860 1.00 0.00 H new ATOM 1407 N LYS A 95 -0.641 16.030 0.083 1.00 0.00 N ATOM 1408 CA LYS A 95 -1.643 15.096 0.582 1.00 0.00 C ATOM 1409 C LYS A 95 -2.638 14.729 -0.514 1.00 0.00 C ATOM 1410 O LYS A 95 -2.870 15.507 -1.439 1.00 0.00 O ATOM 1411 CB LYS A 95 -2.384 15.701 1.776 1.00 0.00 C ATOM 1412 CG LYS A 95 -1.622 15.590 3.085 1.00 0.00 C ATOM 1413 CD LYS A 95 -0.737 16.803 3.320 1.00 0.00 C ATOM 1414 CE LYS A 95 -1.475 17.892 4.082 1.00 0.00 C ATOM 1415 NZ LYS A 95 -1.310 17.748 5.555 1.00 0.00 N ATOM 0 H LYS A 95 -0.711 16.970 0.472 1.00 0.00 H new ATOM 0 HA LYS A 95 -1.130 14.189 0.902 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -2.587 16.752 1.572 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -3.348 15.205 1.884 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -2.327 15.488 3.910 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -1.010 14.688 3.075 1.00 0.00 H new ATOM 0 HD2 LYS A 95 0.150 16.505 3.878 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -0.394 17.196 2.363 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -1.105 18.868 3.769 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -2.535 17.857 3.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -1.828 18.509 6.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -1.686 16.827 5.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -0.301 17.807 5.799 1.00 0.00 H new ATOM 1429 N GLN A 96 -3.222 13.540 -0.403 1.00 0.00 N ATOM 1430 CA GLN A 96 -4.193 13.072 -1.386 1.00 0.00 C ATOM 1431 C GLN A 96 -5.309 12.279 -0.713 1.00 0.00 C ATOM 1432 O GLN A 96 -5.058 11.472 0.182 1.00 0.00 O ATOM 1433 CB GLN A 96 -3.503 12.208 -2.443 1.00 0.00 C ATOM 1434 CG GLN A 96 -2.437 12.950 -3.233 1.00 0.00 C ATOM 1435 CD GLN A 96 -1.262 12.065 -3.601 1.00 0.00 C ATOM 1436 OE1 GLN A 96 -1.355 11.235 -4.507 1.00 0.00 O ATOM 1437 NE2 GLN A 96 -0.148 12.237 -2.900 1.00 0.00 N ATOM 0 H GLN A 96 -3.040 12.884 0.357 1.00 0.00 H new ATOM 0 HA GLN A 96 -4.633 13.944 -1.870 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -3.048 11.346 -1.955 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -4.254 11.824 -3.133 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -2.880 13.356 -4.142 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -2.080 13.797 -2.647 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -0.115 12.936 -2.158 1.00 0.00 H new ATOM 0 HE22 GLN A 96 0.675 11.670 -3.103 1.00 0.00 H new ATOM 1446 N TYR A 97 -6.541 12.514 -1.150 1.00 0.00 N ATOM 1447 CA TYR A 97 -7.696 11.824 -0.589 1.00 0.00 C ATOM 1448 C TYR A 97 -8.254 10.803 -1.576 1.00 0.00 C ATOM 1449 O TYR A 97 -8.369 11.078 -2.770 1.00 0.00 O ATOM 1450 CB TYR A 97 -8.783 12.830 -0.210 1.00 0.00 C ATOM 1451 CG TYR A 97 -8.248 14.078 0.457 1.00 0.00 C ATOM 1452 CD1 TYR A 97 -7.475 13.997 1.608 1.00 0.00 C ATOM 1453 CD2 TYR A 97 -8.514 15.337 -0.067 1.00 0.00 C ATOM 1454 CE1 TYR A 97 -6.984 15.134 2.220 1.00 0.00 C ATOM 1455 CE2 TYR A 97 -8.027 16.480 0.538 1.00 0.00 C ATOM 1456 CZ TYR A 97 -7.263 16.373 1.681 1.00 0.00 C ATOM 1457 OH TYR A 97 -6.775 17.508 2.287 1.00 0.00 O ATOM 0 H TYR A 97 -6.766 13.177 -1.891 1.00 0.00 H new ATOM 0 HA TYR A 97 -7.371 11.296 0.307 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -9.332 13.115 -1.108 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -9.495 12.348 0.459 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -7.254 13.029 2.032 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -9.112 15.424 -0.962 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -6.385 15.053 3.115 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -8.243 17.451 0.118 1.00 0.00 H new ATOM 0 HH TYR A 97 -7.061 18.297 1.782 1.00 0.00 H new ATOM 1467 N MET A 98 -8.598 9.625 -1.068 1.00 0.00 N ATOM 1468 CA MET A 98 -9.146 8.563 -1.904 1.00 0.00 C ATOM 1469 C MET A 98 -10.439 9.013 -2.577 1.00 0.00 C ATOM 1470 O MET A 98 -11.486 9.104 -1.934 1.00 0.00 O ATOM 1471 CB MET A 98 -9.403 7.308 -1.068 1.00 0.00 C ATOM 1472 CG MET A 98 -9.673 6.066 -1.902 1.00 0.00 C ATOM 1473 SD MET A 98 -8.173 5.378 -2.628 1.00 0.00 S ATOM 1474 CE MET A 98 -8.803 4.765 -4.189 1.00 0.00 C ATOM 0 H MET A 98 -8.507 9.381 -0.082 1.00 0.00 H new ATOM 0 HA MET A 98 -8.415 8.331 -2.679 1.00 0.00 H new ATOM 0 HB2 MET A 98 -8.540 7.125 -0.428 1.00 0.00 H new ATOM 0 HB3 MET A 98 -10.255 7.487 -0.412 1.00 0.00 H new ATOM 0 HG2 MET A 98 -10.150 5.310 -1.278 1.00 0.00 H new ATOM 0 HG3 MET A 98 -10.377 6.313 -2.697 1.00 0.00 H new ATOM 0 HE1 MET A 98 -8.126 4.006 -4.582 1.00 0.00 H new ATOM 0 HE2 MET A 98 -9.790 4.328 -4.037 1.00 0.00 H new ATOM 0 HE3 MET A 98 -8.877 5.588 -4.900 1.00 0.00 H new ATOM 1484 N HIS A 99 -10.359 9.294 -3.873 1.00 0.00 N ATOM 1485 CA HIS A 99 -11.524 9.735 -4.633 1.00 0.00 C ATOM 1486 C HIS A 99 -12.327 8.540 -5.137 1.00 0.00 C ATOM 1487 O HIS A 99 -12.916 8.586 -6.217 1.00 0.00 O ATOM 1488 CB HIS A 99 -11.090 10.606 -5.812 1.00 0.00 C ATOM 1489 CG HIS A 99 -12.083 11.668 -6.170 1.00 0.00 C ATOM 1490 ND1 HIS A 99 -12.622 11.800 -7.432 1.00 0.00 N ATOM 1491 CD2 HIS A 99 -12.638 12.650 -5.421 1.00 0.00 C ATOM 1492 CE1 HIS A 99 -13.463 12.819 -7.445 1.00 0.00 C ATOM 1493 NE2 HIS A 99 -13.491 13.352 -6.237 1.00 0.00 N ATOM 0 H HIS A 99 -9.500 9.224 -4.419 1.00 0.00 H new ATOM 0 HA HIS A 99 -12.158 10.324 -3.970 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -10.137 11.077 -5.573 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -10.922 9.970 -6.681 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -12.446 12.845 -4.376 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -14.031 13.158 -8.299 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -14.054 14.154 -5.956 1.00 0.00 H new ATOM 1502 N GLY A 100 -12.347 7.470 -4.348 1.00 0.00 N ATOM 1503 CA GLY A 100 -13.080 6.278 -4.732 1.00 0.00 C ATOM 1504 C GLY A 100 -12.937 5.158 -3.720 1.00 0.00 C ATOM 1505 O GLY A 100 -12.328 5.340 -2.665 1.00 0.00 O ATOM 0 H GLY A 100 -11.868 7.408 -3.449 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -14.135 6.526 -4.848 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -12.724 5.934 -5.703 1.00 0.00 H new ATOM 1509 N ILE A 101 -13.501 3.999 -4.040 1.00 0.00 N ATOM 1510 CA ILE A 101 -13.434 2.846 -3.150 1.00 0.00 C ATOM 1511 C ILE A 101 -12.743 1.668 -3.828 1.00 0.00 C ATOM 1512 O ILE A 101 -13.075 1.305 -4.957 1.00 0.00 O ATOM 1513 CB ILE A 101 -14.837 2.408 -2.689 1.00 0.00 C ATOM 1514 CG1 ILE A 101 -15.444 3.461 -1.759 1.00 0.00 C ATOM 1515 CG2 ILE A 101 -14.768 1.056 -1.994 1.00 0.00 C ATOM 1516 CD1 ILE A 101 -16.938 3.313 -1.572 1.00 0.00 C ATOM 0 H ILE A 101 -14.009 3.833 -4.908 1.00 0.00 H new ATOM 0 HA ILE A 101 -12.854 3.153 -2.280 1.00 0.00 H new ATOM 0 HB ILE A 101 -15.478 2.312 -3.565 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -14.956 3.399 -0.786 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -15.233 4.453 -2.159 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -15.767 0.760 -1.674 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -14.373 0.311 -2.685 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -14.115 1.127 -1.124 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -17.300 4.092 -0.901 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -17.436 3.405 -2.537 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -17.156 2.335 -1.143 1.00 0.00 H new ATOM 1528 N VAL A 102 -11.781 1.072 -3.131 1.00 0.00 N ATOM 1529 CA VAL A 102 -11.045 -0.068 -3.663 1.00 0.00 C ATOM 1530 C VAL A 102 -11.539 -1.375 -3.054 1.00 0.00 C ATOM 1531 O VAL A 102 -11.832 -1.444 -1.861 1.00 0.00 O ATOM 1532 CB VAL A 102 -9.533 0.068 -3.401 1.00 0.00 C ATOM 1533 CG1 VAL A 102 -8.763 -1.015 -4.141 1.00 0.00 C ATOM 1534 CG2 VAL A 102 -9.045 1.452 -3.805 1.00 0.00 C ATOM 0 H VAL A 102 -11.493 1.360 -2.196 1.00 0.00 H new ATOM 0 HA VAL A 102 -11.220 -0.083 -4.739 1.00 0.00 H new ATOM 0 HB VAL A 102 -9.354 -0.058 -2.333 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -7.697 -0.903 -3.944 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -9.094 -1.995 -3.798 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -8.945 -0.924 -5.212 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -7.975 1.531 -3.613 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -9.236 1.610 -4.866 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -9.574 2.208 -3.225 1.00 0.00 H new ATOM 1544 N ARG A 103 -11.629 -2.411 -3.882 1.00 0.00 N ATOM 1545 CA ARG A 103 -12.089 -3.716 -3.425 1.00 0.00 C ATOM 1546 C ARG A 103 -11.486 -4.833 -4.274 1.00 0.00 C ATOM 1547 O ARG A 103 -11.517 -4.779 -5.504 1.00 0.00 O ATOM 1548 CB ARG A 103 -13.616 -3.790 -3.477 1.00 0.00 C ATOM 1549 CG ARG A 103 -14.305 -2.831 -2.520 1.00 0.00 C ATOM 1550 CD ARG A 103 -15.700 -3.314 -2.156 1.00 0.00 C ATOM 1551 NE ARG A 103 -16.553 -2.223 -1.690 1.00 0.00 N ATOM 1552 CZ ARG A 103 -17.872 -2.320 -1.575 1.00 0.00 C ATOM 1553 NH1 ARG A 103 -18.487 -3.451 -1.890 1.00 0.00 N ATOM 1554 NH2 ARG A 103 -18.580 -1.283 -1.145 1.00 0.00 N ATOM 0 H ARG A 103 -11.389 -2.371 -4.873 1.00 0.00 H new ATOM 0 HA ARG A 103 -11.761 -3.848 -2.394 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -13.947 -3.576 -4.493 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -13.930 -4.808 -3.247 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -13.707 -2.727 -1.615 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -14.368 -1.843 -2.976 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -16.158 -3.787 -3.025 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -15.629 -4.076 -1.379 1.00 0.00 H new ATOM 0 HE ARG A 103 -16.111 -1.339 -1.439 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -17.947 -4.250 -2.222 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -19.501 -3.522 -1.801 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -18.111 -0.410 -0.903 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -19.593 -1.359 -1.057 1.00 0.00 H new ATOM 1568 N THR A 104 -10.937 -5.844 -3.608 1.00 0.00 N ATOM 1569 CA THR A 104 -10.326 -6.972 -4.300 1.00 0.00 C ATOM 1570 C THR A 104 -11.338 -7.686 -5.189 1.00 0.00 C ATOM 1571 O THR A 104 -12.547 -7.510 -5.036 1.00 0.00 O ATOM 1572 CB THR A 104 -9.729 -7.985 -3.305 1.00 0.00 C ATOM 1573 OG1 THR A 104 -10.677 -8.273 -2.272 1.00 0.00 O ATOM 1574 CG2 THR A 104 -8.447 -7.445 -2.688 1.00 0.00 C ATOM 0 H THR A 104 -10.903 -5.905 -2.590 1.00 0.00 H new ATOM 0 HA THR A 104 -9.525 -6.567 -4.919 1.00 0.00 H new ATOM 0 HB THR A 104 -9.495 -8.901 -3.848 1.00 0.00 H new ATOM 0 HG1 THR A 104 -10.291 -8.919 -1.644 1.00 0.00 H new ATOM 0 HG21 THR A 104 -8.043 -8.177 -1.989 1.00 0.00 H new ATOM 0 HG22 THR A 104 -7.717 -7.254 -3.475 1.00 0.00 H new ATOM 0 HG23 THR A 104 -8.661 -6.517 -2.158 1.00 0.00 H new ATOM 1582 N LYS A 105 -10.837 -8.494 -6.117 1.00 0.00 N ATOM 1583 CA LYS A 105 -11.698 -9.238 -7.029 1.00 0.00 C ATOM 1584 C LYS A 105 -11.639 -10.733 -6.735 1.00 0.00 C ATOM 1585 O LYS A 105 -12.558 -11.479 -7.073 1.00 0.00 O ATOM 1586 CB LYS A 105 -11.285 -8.976 -8.480 1.00 0.00 C ATOM 1587 CG LYS A 105 -11.856 -7.690 -9.052 1.00 0.00 C ATOM 1588 CD LYS A 105 -13.214 -7.920 -9.694 1.00 0.00 C ATOM 1589 CE LYS A 105 -13.083 -8.603 -11.046 1.00 0.00 C ATOM 1590 NZ LYS A 105 -14.410 -8.967 -11.615 1.00 0.00 N ATOM 0 H LYS A 105 -9.839 -8.650 -6.258 1.00 0.00 H new ATOM 0 HA LYS A 105 -12.723 -8.897 -6.881 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -10.197 -8.938 -8.538 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -11.608 -9.814 -9.098 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -11.948 -6.948 -8.259 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -11.167 -7.282 -9.792 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -13.830 -8.531 -9.035 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -13.726 -6.966 -9.815 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -12.560 -7.942 -11.738 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -12.474 -9.501 -10.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -14.277 -9.430 -12.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -14.899 -9.618 -10.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -14.982 -8.107 -11.739 1.00 0.00 H new ATOM 1604 N VAL A 106 -10.553 -11.165 -6.103 1.00 0.00 N ATOM 1605 CA VAL A 106 -10.375 -12.572 -5.761 1.00 0.00 C ATOM 1606 C VAL A 106 -9.781 -12.727 -4.366 1.00 0.00 C ATOM 1607 O VAL A 106 -9.532 -11.741 -3.672 1.00 0.00 O ATOM 1608 CB VAL A 106 -9.465 -13.286 -6.777 1.00 0.00 C ATOM 1609 CG1 VAL A 106 -9.967 -13.061 -8.195 1.00 0.00 C ATOM 1610 CG2 VAL A 106 -8.027 -12.810 -6.631 1.00 0.00 C ATOM 0 H VAL A 106 -9.782 -10.561 -5.817 1.00 0.00 H new ATOM 0 HA VAL A 106 -11.363 -13.031 -5.785 1.00 0.00 H new ATOM 0 HB VAL A 106 -9.493 -14.356 -6.573 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -9.311 -13.573 -8.899 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -10.979 -13.455 -8.290 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -9.971 -11.993 -8.414 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -7.398 -13.325 -7.357 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -7.980 -11.735 -6.808 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -7.672 -13.028 -5.624 1.00 0.00 H new ATOM 1620 N ASP A 107 -9.556 -13.972 -3.960 1.00 0.00 N ATOM 1621 CA ASP A 107 -8.989 -14.258 -2.647 1.00 0.00 C ATOM 1622 C ASP A 107 -7.481 -14.467 -2.740 1.00 0.00 C ATOM 1623 O ASP A 107 -6.925 -14.565 -3.834 1.00 0.00 O ATOM 1624 CB ASP A 107 -9.652 -15.495 -2.040 1.00 0.00 C ATOM 1625 CG ASP A 107 -9.095 -16.787 -2.606 1.00 0.00 C ATOM 1626 OD1 ASP A 107 -9.549 -17.204 -3.692 1.00 0.00 O ATOM 1627 OD2 ASP A 107 -8.204 -17.380 -1.963 1.00 0.00 O ATOM 0 H ASP A 107 -9.758 -14.799 -4.521 1.00 0.00 H new ATOM 0 HA ASP A 107 -9.179 -13.400 -2.002 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -9.512 -15.485 -0.959 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -10.726 -15.455 -2.223 1.00 0.00 H new ATOM 1632 N ASP A 108 -6.826 -14.535 -1.587 1.00 0.00 N ATOM 1633 CA ASP A 108 -5.382 -14.733 -1.538 1.00 0.00 C ATOM 1634 C ASP A 108 -4.652 -13.577 -2.214 1.00 0.00 C ATOM 1635 O ASP A 108 -3.554 -13.749 -2.745 1.00 0.00 O ATOM 1636 CB ASP A 108 -5.004 -16.054 -2.208 1.00 0.00 C ATOM 1637 CG ASP A 108 -3.756 -16.671 -1.609 1.00 0.00 C ATOM 1638 OD1 ASP A 108 -2.871 -15.909 -1.168 1.00 0.00 O ATOM 1639 OD2 ASP A 108 -3.664 -17.917 -1.581 1.00 0.00 O ATOM 0 H ASP A 108 -7.272 -14.456 -0.673 1.00 0.00 H new ATOM 0 HA ASP A 108 -5.080 -14.767 -0.491 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -5.833 -16.755 -2.115 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -4.847 -15.886 -3.273 1.00 0.00 H new ATOM 1644 N CYS A 109 -5.269 -12.401 -2.193 1.00 0.00 N ATOM 1645 CA CYS A 109 -4.678 -11.216 -2.806 1.00 0.00 C ATOM 1646 C CYS A 109 -3.621 -10.602 -1.895 1.00 0.00 C ATOM 1647 O CYS A 109 -3.868 -10.368 -0.712 1.00 0.00 O ATOM 1648 CB CYS A 109 -5.763 -10.184 -3.118 1.00 0.00 C ATOM 1649 SG CYS A 109 -6.586 -10.435 -4.709 1.00 0.00 S ATOM 0 H CYS A 109 -6.178 -12.242 -1.758 1.00 0.00 H new ATOM 0 HA CYS A 109 -4.197 -11.519 -3.736 1.00 0.00 H new ATOM 0 HB2 CYS A 109 -6.512 -10.209 -2.326 1.00 0.00 H new ATOM 0 HB3 CYS A 109 -5.318 -9.189 -3.104 1.00 0.00 H new ATOM 0 HG CYS A 109 -7.773 -10.927 -4.511 1.00 0.00 H new ATOM 1655 N GLN A 110 -2.443 -10.344 -2.454 1.00 0.00 N ATOM 1656 CA GLN A 110 -1.347 -9.760 -1.690 1.00 0.00 C ATOM 1657 C GLN A 110 -1.199 -8.274 -2.001 1.00 0.00 C ATOM 1658 O GLN A 110 -1.595 -7.810 -3.071 1.00 0.00 O ATOM 1659 CB GLN A 110 -0.038 -10.489 -1.995 1.00 0.00 C ATOM 1660 CG GLN A 110 0.208 -11.696 -1.104 1.00 0.00 C ATOM 1661 CD GLN A 110 1.229 -12.653 -1.686 1.00 0.00 C ATOM 1662 OE1 GLN A 110 1.718 -12.456 -2.799 1.00 0.00 O ATOM 1663 NE2 GLN A 110 1.559 -13.697 -0.935 1.00 0.00 N ATOM 0 H GLN A 110 -2.223 -10.530 -3.433 1.00 0.00 H new ATOM 0 HA GLN A 110 -1.577 -9.871 -0.630 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -0.046 -10.812 -3.036 1.00 0.00 H new ATOM 0 HB3 GLN A 110 0.792 -9.791 -1.884 1.00 0.00 H new ATOM 0 HG2 GLN A 110 0.550 -11.357 -0.126 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -0.732 -12.225 -0.948 1.00 0.00 H new ATOM 0 HE21 GLN A 110 1.129 -13.822 -0.018 1.00 0.00 H new ATOM 0 HE22 GLN A 110 2.242 -14.374 -1.275 1.00 0.00 H new ATOM 1672 N PHE A 111 -0.627 -7.531 -1.059 1.00 0.00 N ATOM 1673 CA PHE A 111 -0.429 -6.097 -1.231 1.00 0.00 C ATOM 1674 C PHE A 111 0.694 -5.591 -0.330 1.00 0.00 C ATOM 1675 O PHE A 111 1.173 -6.310 0.547 1.00 0.00 O ATOM 1676 CB PHE A 111 -1.723 -5.340 -0.926 1.00 0.00 C ATOM 1677 CG PHE A 111 -2.905 -5.832 -1.711 1.00 0.00 C ATOM 1678 CD1 PHE A 111 -3.104 -5.420 -3.019 1.00 0.00 C ATOM 1679 CD2 PHE A 111 -3.816 -6.708 -1.143 1.00 0.00 C ATOM 1680 CE1 PHE A 111 -4.191 -5.870 -3.744 1.00 0.00 C ATOM 1681 CE2 PHE A 111 -4.905 -7.162 -1.863 1.00 0.00 C ATOM 1682 CZ PHE A 111 -5.092 -6.743 -3.166 1.00 0.00 C ATOM 0 H PHE A 111 -0.292 -7.899 -0.168 1.00 0.00 H new ATOM 0 HA PHE A 111 -0.148 -5.917 -2.269 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -1.943 -5.426 0.138 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -1.573 -4.281 -1.136 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -2.402 -4.739 -3.477 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -3.673 -7.040 -0.125 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -4.336 -5.539 -4.762 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -5.609 -7.843 -1.408 1.00 0.00 H new ATOM 0 HZ PHE A 111 -5.941 -7.097 -3.732 1.00 0.00 H new ATOM 1692 N VAL A 112 1.111 -4.349 -0.555 1.00 0.00 N ATOM 1693 CA VAL A 112 2.177 -3.746 0.235 1.00 0.00 C ATOM 1694 C VAL A 112 1.854 -2.296 0.578 1.00 0.00 C ATOM 1695 O VAL A 112 1.215 -1.590 -0.203 1.00 0.00 O ATOM 1696 CB VAL A 112 3.525 -3.798 -0.508 1.00 0.00 C ATOM 1697 CG1 VAL A 112 3.518 -2.848 -1.696 1.00 0.00 C ATOM 1698 CG2 VAL A 112 4.669 -3.469 0.440 1.00 0.00 C ATOM 0 H VAL A 112 0.726 -3.741 -1.278 1.00 0.00 H new ATOM 0 HA VAL A 112 2.255 -4.325 1.155 1.00 0.00 H new ATOM 0 HB VAL A 112 3.673 -4.810 -0.884 1.00 0.00 H new ATOM 0 HG11 VAL A 112 4.479 -2.899 -2.208 1.00 0.00 H new ATOM 0 HG12 VAL A 112 2.724 -3.134 -2.386 1.00 0.00 H new ATOM 0 HG13 VAL A 112 3.347 -1.830 -1.347 1.00 0.00 H new ATOM 0 HG21 VAL A 112 5.614 -3.510 -0.102 1.00 0.00 H new ATOM 0 HG22 VAL A 112 4.528 -2.468 0.847 1.00 0.00 H new ATOM 0 HG23 VAL A 112 4.686 -4.193 1.255 1.00 0.00 H new ATOM 1708 N CYS A 113 2.299 -1.858 1.751 1.00 0.00 N ATOM 1709 CA CYS A 113 2.057 -0.490 2.198 1.00 0.00 C ATOM 1710 C CYS A 113 3.372 0.253 2.410 1.00 0.00 C ATOM 1711 O CYS A 113 4.368 -0.336 2.832 1.00 0.00 O ATOM 1712 CB CYS A 113 1.243 -0.492 3.492 1.00 0.00 C ATOM 1713 SG CYS A 113 -0.547 -0.491 3.239 1.00 0.00 S ATOM 0 H CYS A 113 2.829 -2.429 2.409 1.00 0.00 H new ATOM 0 HA CYS A 113 1.491 0.026 1.422 1.00 0.00 H new ATOM 0 HB2 CYS A 113 1.516 -1.369 4.079 1.00 0.00 H new ATOM 0 HB3 CYS A 113 1.516 0.383 4.082 1.00 0.00 H new ATOM 0 HG CYS A 113 -0.824 0.070 2.100 1.00 0.00 H new ATOM 1719 N ILE A 114 3.368 1.548 2.114 1.00 0.00 N ATOM 1720 CA ILE A 114 4.560 2.371 2.272 1.00 0.00 C ATOM 1721 C ILE A 114 4.198 3.784 2.718 1.00 0.00 C ATOM 1722 O ILE A 114 3.466 4.494 2.031 1.00 0.00 O ATOM 1723 CB ILE A 114 5.367 2.450 0.963 1.00 0.00 C ATOM 1724 CG1 ILE A 114 5.851 1.058 0.551 1.00 0.00 C ATOM 1725 CG2 ILE A 114 6.545 3.400 1.123 1.00 0.00 C ATOM 1726 CD1 ILE A 114 6.194 0.947 -0.918 1.00 0.00 C ATOM 0 H ILE A 114 2.552 2.050 1.763 1.00 0.00 H new ATOM 0 HA ILE A 114 5.172 1.896 3.039 1.00 0.00 H new ATOM 0 HB ILE A 114 4.718 2.836 0.177 1.00 0.00 H new ATOM 0 HG12 ILE A 114 6.730 0.798 1.141 1.00 0.00 H new ATOM 0 HG13 ILE A 114 5.078 0.328 0.791 1.00 0.00 H new ATOM 0 HG21 ILE A 114 7.106 3.445 0.189 1.00 0.00 H new ATOM 0 HG22 ILE A 114 6.178 4.395 1.374 1.00 0.00 H new ATOM 0 HG23 ILE A 114 7.196 3.041 1.920 1.00 0.00 H new ATOM 0 HD11 ILE A 114 6.529 -0.067 -1.138 1.00 0.00 H new ATOM 0 HD12 ILE A 114 5.312 1.175 -1.516 1.00 0.00 H new ATOM 0 HD13 ILE A 114 6.989 1.653 -1.160 1.00 0.00 H new ATOM 1738 N ALA A 115 4.717 4.184 3.874 1.00 0.00 N ATOM 1739 CA ALA A 115 4.452 5.513 4.411 1.00 0.00 C ATOM 1740 C ALA A 115 4.696 6.589 3.359 1.00 0.00 C ATOM 1741 O ALA A 115 5.561 6.441 2.496 1.00 0.00 O ATOM 1742 CB ALA A 115 5.314 5.768 5.639 1.00 0.00 C ATOM 0 H ALA A 115 5.323 3.607 4.457 1.00 0.00 H new ATOM 0 HA ALA A 115 3.402 5.557 4.702 1.00 0.00 H new ATOM 0 HB1 ALA A 115 5.106 6.764 6.029 1.00 0.00 H new ATOM 0 HB2 ALA A 115 5.088 5.024 6.403 1.00 0.00 H new ATOM 0 HB3 ALA A 115 6.367 5.699 5.365 1.00 0.00 H new ATOM 1748 N GLN A 116 3.927 7.671 3.436 1.00 0.00 N ATOM 1749 CA GLN A 116 4.060 8.771 2.488 1.00 0.00 C ATOM 1750 C GLN A 116 5.406 9.468 2.648 1.00 0.00 C ATOM 1751 O GLN A 116 6.117 9.696 1.670 1.00 0.00 O ATOM 1752 CB GLN A 116 2.924 9.778 2.681 1.00 0.00 C ATOM 1753 CG GLN A 116 3.224 11.151 2.102 1.00 0.00 C ATOM 1754 CD GLN A 116 1.969 11.913 1.726 1.00 0.00 C ATOM 1755 OE1 GLN A 116 1.129 12.207 2.578 1.00 0.00 O ATOM 1756 NE2 GLN A 116 1.833 12.238 0.446 1.00 0.00 N ATOM 0 H GLN A 116 3.206 7.809 4.144 1.00 0.00 H new ATOM 0 HA GLN A 116 4.003 8.358 1.481 1.00 0.00 H new ATOM 0 HB2 GLN A 116 2.019 9.386 2.216 1.00 0.00 H new ATOM 0 HB3 GLN A 116 2.716 9.879 3.746 1.00 0.00 H new ATOM 0 HG2 GLN A 116 3.793 11.731 2.829 1.00 0.00 H new ATOM 0 HG3 GLN A 116 3.854 11.039 1.220 1.00 0.00 H new ATOM 0 HE21 GLN A 116 2.553 11.975 -0.226 1.00 0.00 H new ATOM 0 HE22 GLN A 116 1.008 12.751 0.135 1.00 0.00 H new ATOM 1765 N GLN A 117 5.750 9.804 3.887 1.00 0.00 N ATOM 1766 CA GLN A 117 7.011 10.477 4.175 1.00 0.00 C ATOM 1767 C GLN A 117 8.182 9.730 3.544 1.00 0.00 C ATOM 1768 O GLN A 117 9.102 10.343 3.002 1.00 0.00 O ATOM 1769 CB GLN A 117 7.219 10.593 5.686 1.00 0.00 C ATOM 1770 CG GLN A 117 6.608 11.847 6.289 1.00 0.00 C ATOM 1771 CD GLN A 117 7.374 13.103 5.925 1.00 0.00 C ATOM 1772 OE1 GLN A 117 8.567 13.051 5.622 1.00 0.00 O ATOM 1773 NE2 GLN A 117 6.692 14.242 5.951 1.00 0.00 N ATOM 0 H GLN A 117 5.173 9.621 4.708 1.00 0.00 H new ATOM 0 HA GLN A 117 6.967 11.477 3.745 1.00 0.00 H new ATOM 0 HB2 GLN A 117 6.787 9.718 6.172 1.00 0.00 H new ATOM 0 HB3 GLN A 117 8.288 10.581 5.899 1.00 0.00 H new ATOM 0 HG2 GLN A 117 5.577 11.944 5.949 1.00 0.00 H new ATOM 0 HG3 GLN A 117 6.578 11.746 7.374 1.00 0.00 H new ATOM 0 HE21 GLN A 117 5.705 14.240 6.208 1.00 0.00 H new ATOM 0 HE22 GLN A 117 7.155 15.119 5.714 1.00 0.00 H new ATOM 1782 N ASP A 118 8.141 8.405 3.619 1.00 0.00 N ATOM 1783 CA ASP A 118 9.198 7.574 3.055 1.00 0.00 C ATOM 1784 C ASP A 118 9.075 7.494 1.536 1.00 0.00 C ATOM 1785 O ASP A 118 10.075 7.380 0.827 1.00 0.00 O ATOM 1786 CB ASP A 118 9.149 6.169 3.657 1.00 0.00 C ATOM 1787 CG ASP A 118 9.021 6.191 5.167 1.00 0.00 C ATOM 1788 OD1 ASP A 118 9.494 7.166 5.789 1.00 0.00 O ATOM 1789 OD2 ASP A 118 8.448 5.233 5.728 1.00 0.00 O ATOM 0 H ASP A 118 7.387 7.883 4.065 1.00 0.00 H new ATOM 0 HA ASP A 118 10.156 8.033 3.301 1.00 0.00 H new ATOM 0 HB2 ASP A 118 8.306 5.624 3.232 1.00 0.00 H new ATOM 0 HB3 ASP A 118 10.053 5.626 3.380 1.00 0.00 H new ATOM 1794 N TYR A 119 7.843 7.555 1.044 1.00 0.00 N ATOM 1795 CA TYR A 119 7.589 7.487 -0.390 1.00 0.00 C ATOM 1796 C TYR A 119 8.102 8.739 -1.095 1.00 0.00 C ATOM 1797 O TYR A 119 8.140 8.801 -2.324 1.00 0.00 O ATOM 1798 CB TYR A 119 6.092 7.316 -0.656 1.00 0.00 C ATOM 1799 CG TYR A 119 5.769 6.956 -2.089 1.00 0.00 C ATOM 1800 CD1 TYR A 119 6.521 6.011 -2.775 1.00 0.00 C ATOM 1801 CD2 TYR A 119 4.712 7.563 -2.757 1.00 0.00 C ATOM 1802 CE1 TYR A 119 6.231 5.680 -4.085 1.00 0.00 C ATOM 1803 CE2 TYR A 119 4.413 7.237 -4.066 1.00 0.00 C ATOM 1804 CZ TYR A 119 5.175 6.295 -4.725 1.00 0.00 C ATOM 1805 OH TYR A 119 4.882 5.969 -6.029 1.00 0.00 O ATOM 0 H TYR A 119 7.005 7.651 1.617 1.00 0.00 H new ATOM 0 HA TYR A 119 8.124 6.624 -0.787 1.00 0.00 H new ATOM 0 HB2 TYR A 119 5.701 6.540 0.002 1.00 0.00 H new ATOM 0 HB3 TYR A 119 5.578 8.242 -0.398 1.00 0.00 H new ATOM 0 HD1 TYR A 119 7.347 5.526 -2.276 1.00 0.00 H new ATOM 0 HD2 TYR A 119 4.114 8.302 -2.244 1.00 0.00 H new ATOM 0 HE1 TYR A 119 6.827 4.944 -4.604 1.00 0.00 H new ATOM 0 HE2 TYR A 119 3.587 7.717 -4.570 1.00 0.00 H new ATOM 0 HH TYR A 119 4.109 6.491 -6.331 1.00 0.00 H new ATOM 1815 N TRP A 120 8.496 9.733 -0.308 1.00 0.00 N ATOM 1816 CA TRP A 120 9.008 10.984 -0.855 1.00 0.00 C ATOM 1817 C TRP A 120 10.435 11.242 -0.382 1.00 0.00 C ATOM 1818 O TRP A 120 11.039 12.256 -0.728 1.00 0.00 O ATOM 1819 CB TRP A 120 8.105 12.149 -0.450 1.00 0.00 C ATOM 1820 CG TRP A 120 8.775 13.486 -0.557 1.00 0.00 C ATOM 1821 CD1 TRP A 120 8.828 14.290 -1.660 1.00 0.00 C ATOM 1822 CD2 TRP A 120 9.489 14.172 0.477 1.00 0.00 C ATOM 1823 NE1 TRP A 120 9.533 15.435 -1.373 1.00 0.00 N ATOM 1824 CE2 TRP A 120 9.948 15.387 -0.069 1.00 0.00 C ATOM 1825 CE3 TRP A 120 9.783 13.879 1.811 1.00 0.00 C ATOM 1826 CZ2 TRP A 120 10.685 16.305 0.675 1.00 0.00 C ATOM 1827 CZ3 TRP A 120 10.515 14.791 2.547 1.00 0.00 C ATOM 1828 CH2 TRP A 120 10.959 15.992 1.978 1.00 0.00 C ATOM 0 H TRP A 120 8.471 9.697 0.711 1.00 0.00 H new ATOM 0 HA TRP A 120 9.015 10.900 -1.942 1.00 0.00 H new ATOM 0 HB2 TRP A 120 7.215 12.145 -1.079 1.00 0.00 H new ATOM 0 HB3 TRP A 120 7.770 12.000 0.576 1.00 0.00 H new ATOM 0 HD1 TRP A 120 8.382 14.060 -2.616 1.00 0.00 H new ATOM 0 HE1 TRP A 120 9.717 16.197 -2.026 1.00 0.00 H new ATOM 0 HE3 TRP A 120 9.444 12.956 2.259 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 11.028 17.231 0.239 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 10.749 14.574 3.579 1.00 0.00 H new ATOM 0 HH2 TRP A 120 11.529 16.684 2.580 1.00 0.00 H new ATOM 1839 N ARG A 121 10.966 10.317 0.411 1.00 0.00 N ATOM 1840 CA ARG A 121 12.322 10.446 0.933 1.00 0.00 C ATOM 1841 C ARG A 121 13.305 9.628 0.101 1.00 0.00 C ATOM 1842 O ARG A 121 14.499 9.923 0.065 1.00 0.00 O ATOM 1843 CB ARG A 121 12.374 9.995 2.393 1.00 0.00 C ATOM 1844 CG ARG A 121 12.594 8.500 2.561 1.00 0.00 C ATOM 1845 CD ARG A 121 12.478 8.081 4.018 1.00 0.00 C ATOM 1846 NE ARG A 121 13.763 8.142 4.710 1.00 0.00 N ATOM 1847 CZ ARG A 121 13.992 7.573 5.888 1.00 0.00 C ATOM 1848 NH1 ARG A 121 13.027 6.903 6.503 1.00 0.00 N ATOM 1849 NH2 ARG A 121 15.188 7.674 6.453 1.00 0.00 N ATOM 0 H ARG A 121 10.479 9.471 0.706 1.00 0.00 H new ATOM 0 HA ARG A 121 12.609 11.496 0.874 1.00 0.00 H new ATOM 0 HB2 ARG A 121 13.175 10.531 2.902 1.00 0.00 H new ATOM 0 HB3 ARG A 121 11.442 10.274 2.884 1.00 0.00 H new ATOM 0 HG2 ARG A 121 11.863 7.954 1.965 1.00 0.00 H new ATOM 0 HG3 ARG A 121 13.580 8.231 2.181 1.00 0.00 H new ATOM 0 HD2 ARG A 121 11.762 8.728 4.525 1.00 0.00 H new ATOM 0 HD3 ARG A 121 12.085 7.066 4.073 1.00 0.00 H new ATOM 0 HE ARG A 121 14.527 8.650 4.264 1.00 0.00 H new ATOM 0 HH11 ARG A 121 12.106 6.824 6.071 1.00 0.00 H new ATOM 0 HH12 ARG A 121 13.206 6.467 7.408 1.00 0.00 H new ATOM 0 HH21 ARG A 121 15.932 8.189 5.983 1.00 0.00 H new ATOM 0 HH22 ARG A 121 15.363 7.237 7.358 1.00 0.00 H new ATOM 1863 N ILE A 122 12.793 8.598 -0.566 1.00 0.00 N ATOM 1864 CA ILE A 122 13.625 7.738 -1.398 1.00 0.00 C ATOM 1865 C ILE A 122 13.711 8.269 -2.825 1.00 0.00 C ATOM 1866 O ILE A 122 14.791 8.613 -3.307 1.00 0.00 O ATOM 1867 CB ILE A 122 13.087 6.295 -1.431 1.00 0.00 C ATOM 1868 CG1 ILE A 122 12.929 5.754 -0.008 1.00 0.00 C ATOM 1869 CG2 ILE A 122 14.014 5.403 -2.243 1.00 0.00 C ATOM 1870 CD1 ILE A 122 12.183 4.440 0.059 1.00 0.00 C ATOM 0 H ILE A 122 11.807 8.339 -0.546 1.00 0.00 H new ATOM 0 HA ILE A 122 14.620 7.736 -0.953 1.00 0.00 H new ATOM 0 HB ILE A 122 12.107 6.298 -1.909 1.00 0.00 H new ATOM 0 HG12 ILE A 122 13.917 5.625 0.435 1.00 0.00 H new ATOM 0 HG13 ILE A 122 12.403 6.493 0.597 1.00 0.00 H new ATOM 0 HG21 ILE A 122 13.621 4.387 -2.257 1.00 0.00 H new ATOM 0 HG22 ILE A 122 14.081 5.781 -3.263 1.00 0.00 H new ATOM 0 HG23 ILE A 122 15.006 5.402 -1.791 1.00 0.00 H new ATOM 0 HD11 ILE A 122 12.109 4.116 1.097 1.00 0.00 H new ATOM 0 HD12 ILE A 122 11.182 4.568 -0.354 1.00 0.00 H new ATOM 0 HD13 ILE A 122 12.720 3.687 -0.518 1.00 0.00 H new ATOM 1882 N LEU A 123 12.566 8.335 -3.496 1.00 0.00 N ATOM 1883 CA LEU A 123 12.511 8.827 -4.868 1.00 0.00 C ATOM 1884 C LEU A 123 13.138 10.213 -4.976 1.00 0.00 C ATOM 1885 O LEU A 123 14.179 10.387 -5.608 1.00 0.00 O ATOM 1886 CB LEU A 123 11.062 8.870 -5.357 1.00 0.00 C ATOM 1887 CG LEU A 123 10.463 7.535 -5.800 1.00 0.00 C ATOM 1888 CD1 LEU A 123 9.781 6.842 -4.631 1.00 0.00 C ATOM 1889 CD2 LEU A 123 9.481 7.745 -6.944 1.00 0.00 C ATOM 0 H LEU A 123 11.664 8.054 -3.112 1.00 0.00 H new ATOM 0 HA LEU A 123 13.080 8.142 -5.496 1.00 0.00 H new ATOM 0 HB2 LEU A 123 10.442 9.276 -4.558 1.00 0.00 H new ATOM 0 HB3 LEU A 123 11.002 9.567 -6.193 1.00 0.00 H new ATOM 0 HG LEU A 123 11.271 6.895 -6.154 1.00 0.00 H new ATOM 0 HD11 LEU A 123 9.361 5.894 -4.965 1.00 0.00 H new ATOM 0 HD12 LEU A 123 10.510 6.658 -3.842 1.00 0.00 H new ATOM 0 HD13 LEU A 123 8.983 7.477 -4.247 1.00 0.00 H new ATOM 0 HD21 LEU A 123 9.064 6.784 -7.247 1.00 0.00 H new ATOM 0 HD22 LEU A 123 8.676 8.403 -6.616 1.00 0.00 H new ATOM 0 HD23 LEU A 123 9.999 8.198 -7.789 1.00 0.00 H new ATOM 1901 N ASN A 124 12.497 11.196 -4.352 1.00 0.00 N ATOM 1902 CA ASN A 124 12.993 12.568 -4.376 1.00 0.00 C ATOM 1903 C ASN A 124 14.474 12.617 -4.012 1.00 0.00 C ATOM 1904 O ASN A 124 15.093 11.587 -3.743 1.00 0.00 O ATOM 1905 CB ASN A 124 12.190 13.440 -3.409 1.00 0.00 C ATOM 1906 CG ASN A 124 10.740 13.583 -3.828 1.00 0.00 C ATOM 1907 OD1 ASN A 124 10.353 14.583 -4.433 1.00 0.00 O ATOM 1908 ND2 ASN A 124 9.930 12.581 -3.507 1.00 0.00 N ATOM 0 H ASN A 124 11.634 11.069 -3.824 1.00 0.00 H new ATOM 0 HA ASN A 124 12.872 12.954 -5.388 1.00 0.00 H new ATOM 0 HB2 ASN A 124 12.236 13.007 -2.410 1.00 0.00 H new ATOM 0 HB3 ASN A 124 12.647 14.428 -3.349 1.00 0.00 H new ATOM 0 HD21 ASN A 124 8.943 12.621 -3.762 1.00 0.00 H new ATOM 0 HD22 ASN A 124 10.294 11.771 -3.005 1.00 0.00 H new ATOM 1915 N HIS A 125 15.037 13.821 -4.007 1.00 0.00 N ATOM 1916 CA HIS A 125 16.445 14.006 -3.675 1.00 0.00 C ATOM 1917 C HIS A 125 16.611 14.408 -2.213 1.00 0.00 C ATOM 1918 O HIS A 125 17.375 15.318 -1.891 1.00 0.00 O ATOM 1919 CB HIS A 125 17.070 15.066 -4.582 1.00 0.00 C ATOM 1920 CG HIS A 125 16.469 16.428 -4.413 1.00 0.00 C ATOM 1921 ND1 HIS A 125 17.019 17.398 -3.601 1.00 0.00 N ATOM 1922 CD2 HIS A 125 15.361 16.980 -4.959 1.00 0.00 C ATOM 1923 CE1 HIS A 125 16.273 18.487 -3.654 1.00 0.00 C ATOM 1924 NE2 HIS A 125 15.261 18.260 -4.471 1.00 0.00 N ATOM 0 H HIS A 125 14.540 14.683 -4.229 1.00 0.00 H new ATOM 0 HA HIS A 125 16.957 13.057 -3.832 1.00 0.00 H new ATOM 0 HB2 HIS A 125 18.139 15.122 -4.379 1.00 0.00 H new ATOM 0 HB3 HIS A 125 16.959 14.755 -5.621 1.00 0.00 H new ATOM 0 HD1 HIS A 125 17.868 17.291 -3.047 1.00 0.00 H new ATOM 0 HD2 HIS A 125 14.682 16.503 -5.650 1.00 0.00 H new ATOM 0 HE1 HIS A 125 16.459 19.407 -3.120 1.00 0.00 H new