USER MOD reduce.3.24.130724 H: found=0, std=0, add=1085, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 1081 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: B 326 ASN : amide:sc= 0.21 K(o=-0.22,f=-1.1) USER MOD Set 1.2: B 342 ASN : amide:sc= -0.433 K(o=-0.22,f=-1.7) USER MOD Set 2.1: B 331 MET CE :methyl 143:sc= -0.0823 (180deg=-0.481) USER MOD Set 2.2: B 336 SER OG : rot 180:sc= -0.31 USER MOD Set 3.1: B 322 GLN : amide:sc= 0.71 K(o=0.71,f=-1.3!) USER MOD Set 3.2: B 328 TYR OH : rot 67:sc= 0.00204 USER MOD Set 4.1: A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.2: B 305 ASN : amide:sc= 1.21 K(o=1.2,f=-0.34) USER MOD Set 5.1: A 68 HIS : no HE2:sc= 0.427 K(o=1.5,f=-10!) USER MOD Set 5.2: B 299 TYR OH : rot 30:sc= 1.03 USER MOD Set 6.1: A 27 LYS NZ :NH3+ 169:sc= 1.92 (180deg=0.543) USER MOD Set 6.2: A 52 ASN : amide:sc= 0.608 K(o=2.5,f=-4.5) USER MOD Set 7.1: A 9 SER OG : rot 33:sc= 0.167 USER MOD Set 7.2: A 10 SER OG : rot 180:sc= 0.102 USER MOD Single : A 1 MET CE :methyl 175:sc= 0 (180deg=-0.0159) USER MOD Single : A 1 MET N :NH3+ -166:sc= 2.43 (180deg=1.6) USER MOD Single : A 8 ASN : amide:sc= -0.115 K(o=-0.12,f=-1.6!) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot -35:sc= 0.377 USER MOD Single : A 21 THR OG1 : rot 18:sc= 2.09 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= 1 K(o=1,f=-5.6!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= 0.467 K(o=0.47,f=-5.3!) USER MOD Single : A 40 GLN : amide:sc= -0.519 K(o=-0.52,f=0) USER MOD Single : A 48 LYS NZ :NH3+ -99:sc= 1.25 (180deg=-0.561) USER MOD Single : A 51 GLN : amide:sc= -0.165 K(o=-0.16,f=-1.5!) USER MOD Single : A 53 HIS : no HE2:sc= 0.185 K(o=0.19,f=-1.2) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.00753 USER MOD Single : A 57 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 59 CYS SG : rot 80:sc= -1.96! USER MOD Single : A 63 GLN : amide:sc= -0.404 K(o=-0.4,f=-11!) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 65 SER OG : rot 68:sc= 1.78 USER MOD Single : A 71 GLN : amide:sc=-0.00729 K(o=-0.0073,f=-1.4) USER MOD Single : A 74 GLN : amide:sc= -0.901 K(o=-0.9,f=-1.9!) USER MOD Single : B 292 GLN : amide:sc= -1.01 X(o=-1,f=-1) USER MOD Single : B 294 CYS SG : rot -78:sc= 1.24 USER MOD Single : B 295 CYS SG : rot 177:sc= -3.54! USER MOD Single : B 312 LYS NZ :NH3+ -171:sc= 1.34 (180deg=1.17) USER MOD Single : B 318 THR OG1 : rot 81:sc= 0.0458 USER MOD Single : B 320 THR OG1 : rot 109:sc= 1.24 USER MOD Single : B 321 ASN : amide:sc= 0.645 K(o=0.65,f=-3!) USER MOD Single : B 333 HIS : no HD1:sc=-0.00907 X(o=-0.0091,f=0) USER MOD Single : B 335 GLN : amide:sc= -0.289 X(o=-0.29,f=-0.76) USER MOD Single : B 343 TYR OH : rot -168:sc= 2.1 USER MOD Single : B 352 HIS : no HE2:sc= 1.13 K(o=1.1,f=-3.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 23.182 -4.823 1.815 1.00 0.32 N ATOM 2 CA MET A 1 22.009 -5.207 2.628 1.00 0.32 C ATOM 3 C MET A 1 20.904 -5.726 1.722 1.00 0.30 C ATOM 4 O MET A 1 20.537 -5.072 0.748 1.00 0.35 O ATOM 5 CB MET A 1 21.496 -4.007 3.426 1.00 0.35 C ATOM 6 CG MET A 1 22.471 -3.508 4.479 1.00 0.77 C ATOM 7 SD MET A 1 21.883 -2.027 5.329 1.00 0.83 S ATOM 8 CE MET A 1 20.654 -2.731 6.428 1.00 0.82 C ATOM 0 H1 MET A 1 24.008 -4.696 2.435 1.00 0.32 H new ATOM 0 H2 MET A 1 23.382 -5.570 1.120 1.00 0.32 H new ATOM 0 H3 MET A 1 22.983 -3.932 1.318 1.00 0.32 H new ATOM 0 HA MET A 1 22.308 -5.991 3.324 1.00 0.32 H new ATOM 0 HB2 MET A 1 21.272 -3.193 2.737 1.00 0.35 H new ATOM 0 HB3 MET A 1 20.559 -4.279 3.912 1.00 0.35 H new ATOM 0 HG2 MET A 1 22.644 -4.297 5.211 1.00 0.77 H new ATOM 0 HG3 MET A 1 23.430 -3.294 4.008 1.00 0.77 H new ATOM 0 HE1 MET A 1 20.263 -1.953 7.083 1.00 0.82 H new ATOM 0 HE2 MET A 1 19.839 -3.153 5.840 1.00 0.82 H new ATOM 0 HE3 MET A 1 21.111 -3.516 7.030 1.00 0.82 H new ATOM 18 N ILE A 2 20.375 -6.896 2.044 1.00 0.33 N ATOM 19 CA ILE A 2 19.319 -7.496 1.243 1.00 0.33 C ATOM 20 C ILE A 2 17.950 -7.205 1.837 1.00 0.32 C ATOM 21 O ILE A 2 17.710 -7.423 3.029 1.00 0.36 O ATOM 22 CB ILE A 2 19.512 -9.026 1.107 1.00 0.40 C ATOM 23 CG1 ILE A 2 20.662 -9.337 0.145 1.00 0.49 C ATOM 24 CG2 ILE A 2 18.232 -9.708 0.637 1.00 0.41 C ATOM 25 CD1 ILE A 2 20.383 -8.937 -1.292 1.00 0.53 C ATOM 0 H ILE A 2 20.659 -7.448 2.853 1.00 0.33 H new ATOM 0 HA ILE A 2 19.377 -7.049 0.251 1.00 0.33 H new ATOM 0 HB ILE A 2 19.760 -9.419 2.093 1.00 0.40 H new ATOM 0 HG12 ILE A 2 21.560 -8.822 0.488 1.00 0.49 H new ATOM 0 HG13 ILE A 2 20.874 -10.406 0.180 1.00 0.49 H new ATOM 0 HG21 ILE A 2 18.402 -10.781 0.552 1.00 0.41 H new ATOM 0 HG22 ILE A 2 17.435 -9.523 1.357 1.00 0.41 H new ATOM 0 HG23 ILE A 2 17.943 -9.308 -0.335 1.00 0.41 H new ATOM 0 HD11 ILE A 2 21.243 -9.188 -1.913 1.00 0.53 H new ATOM 0 HD12 ILE A 2 19.505 -9.471 -1.654 1.00 0.53 H new ATOM 0 HD13 ILE A 2 20.201 -7.863 -1.342 1.00 0.53 H new ATOM 37 N VAL A 3 17.067 -6.690 1.000 1.00 0.29 N ATOM 38 CA VAL A 3 15.707 -6.382 1.399 1.00 0.29 C ATOM 39 C VAL A 3 14.739 -7.092 0.466 1.00 0.28 C ATOM 40 O VAL A 3 14.989 -7.193 -0.734 1.00 0.29 O ATOM 41 CB VAL A 3 15.422 -4.864 1.388 1.00 0.29 C ATOM 42 CG1 VAL A 3 16.090 -4.186 2.573 1.00 0.35 C ATOM 43 CG2 VAL A 3 15.880 -4.226 0.083 1.00 0.27 C ATOM 0 H VAL A 3 17.273 -6.474 0.025 1.00 0.29 H new ATOM 0 HA VAL A 3 15.574 -6.729 2.424 1.00 0.29 H new ATOM 0 HB VAL A 3 14.344 -4.727 1.470 1.00 0.29 H new ATOM 0 HG11 VAL A 3 15.878 -3.117 2.548 1.00 0.35 H new ATOM 0 HG12 VAL A 3 15.705 -4.611 3.500 1.00 0.35 H new ATOM 0 HG13 VAL A 3 17.167 -4.343 2.522 1.00 0.35 H new ATOM 0 HG21 VAL A 3 15.666 -3.157 0.106 1.00 0.27 H new ATOM 0 HG22 VAL A 3 16.952 -4.379 -0.040 1.00 0.27 H new ATOM 0 HG23 VAL A 3 15.350 -4.685 -0.752 1.00 0.27 H new ATOM 53 N PHE A 4 13.658 -7.611 1.016 1.00 0.30 N ATOM 54 CA PHE A 4 12.672 -8.317 0.217 1.00 0.31 C ATOM 55 C PHE A 4 11.564 -7.368 -0.211 1.00 0.30 C ATOM 56 O PHE A 4 10.790 -6.884 0.620 1.00 0.30 O ATOM 57 CB PHE A 4 12.088 -9.495 1.003 1.00 0.35 C ATOM 58 CG PHE A 4 13.127 -10.465 1.494 1.00 0.46 C ATOM 59 CD1 PHE A 4 13.759 -11.330 0.615 1.00 0.74 C ATOM 60 CD2 PHE A 4 13.466 -10.511 2.837 1.00 0.66 C ATOM 61 CE1 PHE A 4 14.713 -12.222 1.068 1.00 0.89 C ATOM 62 CE2 PHE A 4 14.418 -11.401 3.295 1.00 0.81 C ATOM 63 CZ PHE A 4 15.042 -12.258 2.410 1.00 0.82 C ATOM 0 H PHE A 4 13.440 -7.558 2.011 1.00 0.30 H new ATOM 0 HA PHE A 4 13.164 -8.706 -0.675 1.00 0.31 H new ATOM 0 HB2 PHE A 4 11.530 -9.110 1.857 1.00 0.35 H new ATOM 0 HB3 PHE A 4 11.377 -10.026 0.370 1.00 0.35 H new ATOM 0 HD1 PHE A 4 13.504 -11.307 -0.434 1.00 0.74 H new ATOM 0 HD2 PHE A 4 12.980 -9.843 3.533 1.00 0.66 H new ATOM 0 HE1 PHE A 4 15.201 -12.890 0.374 1.00 0.89 H new ATOM 0 HE2 PHE A 4 14.674 -11.427 4.344 1.00 0.81 H new ATOM 0 HZ PHE A 4 15.786 -12.955 2.766 1.00 0.82 H new ATOM 73 N VAL A 5 11.491 -7.102 -1.507 1.00 0.30 N ATOM 74 CA VAL A 5 10.485 -6.201 -2.043 1.00 0.30 C ATOM 75 C VAL A 5 9.281 -6.989 -2.546 1.00 0.31 C ATOM 76 O VAL A 5 9.417 -7.894 -3.366 1.00 0.33 O ATOM 77 CB VAL A 5 11.054 -5.338 -3.188 1.00 0.31 C ATOM 78 CG1 VAL A 5 9.943 -4.555 -3.879 1.00 0.34 C ATOM 79 CG2 VAL A 5 12.129 -4.396 -2.658 1.00 0.32 C ATOM 0 H VAL A 5 12.118 -7.499 -2.207 1.00 0.30 H new ATOM 0 HA VAL A 5 10.174 -5.538 -1.236 1.00 0.30 H new ATOM 0 HB VAL A 5 11.508 -6.000 -3.925 1.00 0.31 H new ATOM 0 HG11 VAL A 5 10.367 -3.954 -4.683 1.00 0.34 H new ATOM 0 HG12 VAL A 5 9.212 -5.249 -4.293 1.00 0.34 H new ATOM 0 HG13 VAL A 5 9.455 -3.902 -3.156 1.00 0.34 H new ATOM 0 HG21 VAL A 5 12.521 -3.794 -3.477 1.00 0.32 H new ATOM 0 HG22 VAL A 5 11.698 -3.742 -1.900 1.00 0.32 H new ATOM 0 HG23 VAL A 5 12.938 -4.978 -2.217 1.00 0.32 H new ATOM 89 N ARG A 6 8.109 -6.640 -2.046 1.00 0.33 N ATOM 90 CA ARG A 6 6.877 -7.305 -2.432 1.00 0.36 C ATOM 91 C ARG A 6 5.951 -6.321 -3.140 1.00 0.35 C ATOM 92 O ARG A 6 5.643 -5.266 -2.600 1.00 0.37 O ATOM 93 CB ARG A 6 6.198 -7.885 -1.185 1.00 0.40 C ATOM 94 CG ARG A 6 4.828 -8.486 -1.446 1.00 0.42 C ATOM 95 CD ARG A 6 4.357 -9.329 -0.272 1.00 0.52 C ATOM 96 NE ARG A 6 4.233 -8.550 0.959 1.00 0.77 N ATOM 97 CZ ARG A 6 4.043 -9.094 2.158 1.00 1.08 C ATOM 98 NH1 ARG A 6 3.946 -10.413 2.282 1.00 1.23 N ATOM 99 NH2 ARG A 6 3.935 -8.321 3.232 1.00 1.51 N ATOM 0 H ARG A 6 7.984 -5.892 -1.364 1.00 0.33 H new ATOM 0 HA ARG A 6 7.103 -8.118 -3.122 1.00 0.36 H new ATOM 0 HB2 ARG A 6 6.843 -8.652 -0.757 1.00 0.40 H new ATOM 0 HB3 ARG A 6 6.101 -7.097 -0.438 1.00 0.40 H new ATOM 0 HG2 ARG A 6 4.109 -7.688 -1.634 1.00 0.42 H new ATOM 0 HG3 ARG A 6 4.864 -9.101 -2.345 1.00 0.42 H new ATOM 0 HD2 ARG A 6 3.393 -9.777 -0.514 1.00 0.52 H new ATOM 0 HD3 ARG A 6 5.058 -10.148 -0.112 1.00 0.52 H new ATOM 0 HE ARG A 6 4.296 -7.534 0.895 1.00 0.77 H new ATOM 0 HH11 ARG A 6 4.017 -11.009 1.458 1.00 1.23 H new ATOM 0 HH12 ARG A 6 3.800 -10.829 3.202 1.00 1.23 H new ATOM 0 HH21 ARG A 6 3.998 -7.307 3.139 1.00 1.51 H new ATOM 0 HH22 ARG A 6 3.789 -8.741 4.150 1.00 1.51 H new ATOM 113 N PHE A 7 5.522 -6.664 -4.348 1.00 0.36 N ATOM 114 CA PHE A 7 4.632 -5.797 -5.118 1.00 0.38 C ATOM 115 C PHE A 7 3.292 -6.485 -5.378 1.00 0.41 C ATOM 116 O PHE A 7 3.149 -7.224 -6.353 1.00 0.43 O ATOM 117 CB PHE A 7 5.295 -5.401 -6.450 1.00 0.41 C ATOM 118 CG PHE A 7 4.418 -4.577 -7.360 1.00 0.45 C ATOM 119 CD1 PHE A 7 4.149 -3.247 -7.075 1.00 0.49 C ATOM 120 CD2 PHE A 7 3.866 -5.137 -8.502 1.00 0.50 C ATOM 121 CE1 PHE A 7 3.345 -2.492 -7.911 1.00 0.57 C ATOM 122 CE2 PHE A 7 3.062 -4.389 -9.341 1.00 0.56 C ATOM 123 CZ PHE A 7 2.800 -3.063 -9.044 1.00 0.59 C ATOM 0 H PHE A 7 5.774 -7.534 -4.817 1.00 0.36 H new ATOM 0 HA PHE A 7 4.445 -4.895 -4.535 1.00 0.38 H new ATOM 0 HB2 PHE A 7 6.205 -4.840 -6.237 1.00 0.41 H new ATOM 0 HB3 PHE A 7 5.595 -6.307 -6.977 1.00 0.41 H new ATOM 0 HD1 PHE A 7 4.572 -2.795 -6.190 1.00 0.49 H new ATOM 0 HD2 PHE A 7 4.067 -6.171 -8.739 1.00 0.50 H new ATOM 0 HE1 PHE A 7 3.144 -1.457 -7.677 1.00 0.57 H new ATOM 0 HE2 PHE A 7 2.639 -4.839 -10.227 1.00 0.56 H new ATOM 0 HZ PHE A 7 2.171 -2.476 -9.697 1.00 0.59 H new ATOM 133 N ASN A 8 2.338 -6.281 -4.464 1.00 0.43 N ATOM 134 CA ASN A 8 0.983 -6.849 -4.585 1.00 0.49 C ATOM 135 C ASN A 8 1.029 -8.368 -4.798 1.00 0.47 C ATOM 136 O ASN A 8 0.147 -8.951 -5.427 1.00 0.57 O ATOM 137 CB ASN A 8 0.235 -6.179 -5.742 1.00 0.57 C ATOM 138 CG ASN A 8 -1.272 -6.237 -5.576 1.00 0.72 C ATOM 139 OD1 ASN A 8 -1.785 -6.308 -4.462 1.00 1.35 O ATOM 140 ND2 ASN A 8 -1.994 -6.194 -6.685 1.00 1.10 N ATOM 0 H ASN A 8 2.478 -5.722 -3.623 1.00 0.43 H new ATOM 0 HA ASN A 8 0.453 -6.657 -3.652 1.00 0.49 H new ATOM 0 HB2 ASN A 8 0.548 -5.138 -5.817 1.00 0.57 H new ATOM 0 HB3 ASN A 8 0.512 -6.664 -6.678 1.00 0.57 H new ATOM 0 HD21 ASN A 8 -3.012 -6.220 -6.632 1.00 1.10 H new ATOM 0 HD22 ASN A 8 -1.532 -6.135 -7.592 1.00 1.10 H new ATOM 147 N SER A 9 2.061 -9.001 -4.259 1.00 0.47 N ATOM 148 CA SER A 9 2.240 -10.436 -4.400 1.00 0.47 C ATOM 149 C SER A 9 2.325 -11.100 -3.028 1.00 0.47 C ATOM 150 O SER A 9 2.087 -10.459 -2.006 1.00 0.48 O ATOM 151 CB SER A 9 3.506 -10.724 -5.222 1.00 0.47 C ATOM 152 OG SER A 9 3.578 -12.088 -5.613 1.00 1.39 O ATOM 0 H SER A 9 2.791 -8.538 -3.717 1.00 0.47 H new ATOM 0 HA SER A 9 1.379 -10.852 -4.924 1.00 0.47 H new ATOM 0 HB2 SER A 9 3.517 -10.090 -6.109 1.00 0.47 H new ATOM 0 HB3 SER A 9 4.388 -10.466 -4.635 1.00 0.47 H new ATOM 0 HG SER A 9 2.673 -12.433 -5.763 1.00 1.39 H new ATOM 158 N SER A 10 2.672 -12.378 -3.008 1.00 0.52 N ATOM 159 CA SER A 10 2.781 -13.122 -1.765 1.00 0.55 C ATOM 160 C SER A 10 4.194 -13.040 -1.194 1.00 0.60 C ATOM 161 O SER A 10 4.382 -12.775 -0.005 1.00 0.88 O ATOM 162 CB SER A 10 2.393 -14.583 -2.001 1.00 0.62 C ATOM 163 OG SER A 10 2.569 -14.938 -3.367 1.00 1.00 O ATOM 0 H SER A 10 2.884 -12.923 -3.844 1.00 0.52 H new ATOM 0 HA SER A 10 2.099 -12.678 -1.039 1.00 0.55 H new ATOM 0 HB2 SER A 10 3.001 -15.232 -1.371 1.00 0.62 H new ATOM 0 HB3 SER A 10 1.354 -14.739 -1.711 1.00 0.62 H new ATOM 0 HG SER A 10 2.317 -15.876 -3.496 1.00 1.00 H new ATOM 169 N TYR A 11 5.184 -13.262 -2.047 1.00 0.50 N ATOM 170 CA TYR A 11 6.581 -13.234 -1.624 1.00 0.53 C ATOM 171 C TYR A 11 7.247 -11.909 -1.978 1.00 0.46 C ATOM 172 O TYR A 11 6.585 -10.948 -2.369 1.00 0.44 O ATOM 173 CB TYR A 11 7.346 -14.390 -2.281 1.00 0.65 C ATOM 174 CG TYR A 11 7.272 -14.393 -3.795 1.00 0.75 C ATOM 175 CD1 TYR A 11 6.200 -14.982 -4.455 1.00 0.92 C ATOM 176 CD2 TYR A 11 8.272 -13.810 -4.564 1.00 0.83 C ATOM 177 CE1 TYR A 11 6.127 -14.987 -5.835 1.00 1.11 C ATOM 178 CE2 TYR A 11 8.205 -13.812 -5.943 1.00 1.03 C ATOM 179 CZ TYR A 11 7.130 -14.403 -6.573 1.00 1.16 C ATOM 180 OH TYR A 11 7.060 -14.408 -7.947 1.00 1.41 O ATOM 0 H TYR A 11 5.048 -13.464 -3.037 1.00 0.50 H new ATOM 0 HA TYR A 11 6.605 -13.344 -0.540 1.00 0.53 H new ATOM 0 HB2 TYR A 11 8.392 -14.339 -1.978 1.00 0.65 H new ATOM 0 HB3 TYR A 11 6.951 -15.334 -1.906 1.00 0.65 H new ATOM 0 HD1 TYR A 11 5.411 -15.443 -3.880 1.00 0.92 H new ATOM 0 HD2 TYR A 11 9.116 -13.347 -4.074 1.00 0.83 H new ATOM 0 HE1 TYR A 11 5.286 -15.448 -6.332 1.00 1.11 H new ATOM 0 HE2 TYR A 11 8.990 -13.353 -6.525 1.00 1.03 H new ATOM 0 HH TYR A 11 7.846 -13.954 -8.316 1.00 1.41 H new ATOM 190 N GLY A 12 8.566 -11.888 -1.854 1.00 0.44 N ATOM 191 CA GLY A 12 9.331 -10.698 -2.147 1.00 0.41 C ATOM 192 C GLY A 12 10.654 -11.026 -2.800 1.00 0.41 C ATOM 193 O GLY A 12 11.283 -12.030 -2.466 1.00 0.52 O ATOM 0 H GLY A 12 9.124 -12.686 -1.551 1.00 0.44 H new ATOM 0 HA2 GLY A 12 8.753 -10.047 -2.804 1.00 0.41 H new ATOM 0 HA3 GLY A 12 9.508 -10.144 -1.225 1.00 0.41 H new ATOM 197 N PHE A 13 11.068 -10.193 -3.740 1.00 0.34 N ATOM 198 CA PHE A 13 12.328 -10.402 -4.438 1.00 0.34 C ATOM 199 C PHE A 13 13.457 -9.737 -3.666 1.00 0.31 C ATOM 200 O PHE A 13 13.306 -8.604 -3.203 1.00 0.31 O ATOM 201 CB PHE A 13 12.276 -9.843 -5.871 1.00 0.36 C ATOM 202 CG PHE A 13 10.944 -9.264 -6.268 1.00 0.38 C ATOM 203 CD1 PHE A 13 9.914 -10.088 -6.694 1.00 0.53 C ATOM 204 CD2 PHE A 13 10.726 -7.897 -6.216 1.00 0.50 C ATOM 205 CE1 PHE A 13 8.692 -9.557 -7.059 1.00 0.71 C ATOM 206 CE2 PHE A 13 9.507 -7.361 -6.580 1.00 0.69 C ATOM 207 CZ PHE A 13 8.488 -8.193 -7.002 1.00 0.76 C ATOM 0 H PHE A 13 10.551 -9.366 -4.038 1.00 0.34 H new ATOM 0 HA PHE A 13 12.507 -11.475 -4.502 1.00 0.34 H new ATOM 0 HB2 PHE A 13 13.039 -9.071 -5.974 1.00 0.36 H new ATOM 0 HB3 PHE A 13 12.533 -10.640 -6.568 1.00 0.36 H new ATOM 0 HD1 PHE A 13 10.068 -11.156 -6.741 1.00 0.53 H new ATOM 0 HD2 PHE A 13 11.519 -7.243 -5.887 1.00 0.50 H new ATOM 0 HE1 PHE A 13 7.897 -10.209 -7.389 1.00 0.71 H new ATOM 0 HE2 PHE A 13 9.350 -6.293 -6.535 1.00 0.69 H new ATOM 0 HZ PHE A 13 7.533 -7.777 -7.287 1.00 0.76 H new ATOM 217 N PRO A 14 14.596 -10.429 -3.490 1.00 0.32 N ATOM 218 CA PRO A 14 15.734 -9.869 -2.768 1.00 0.31 C ATOM 219 C PRO A 14 16.431 -8.780 -3.573 1.00 0.29 C ATOM 220 O PRO A 14 16.856 -9.001 -4.710 1.00 0.33 O ATOM 221 CB PRO A 14 16.683 -11.062 -2.571 1.00 0.35 C ATOM 222 CG PRO A 14 15.925 -12.273 -3.007 1.00 0.53 C ATOM 223 CD PRO A 14 14.867 -11.794 -3.961 1.00 0.37 C ATOM 0 HA PRO A 14 15.425 -9.404 -1.832 1.00 0.31 H new ATOM 0 HB2 PRO A 14 17.592 -10.938 -3.160 1.00 0.35 H new ATOM 0 HB3 PRO A 14 16.989 -11.148 -1.528 1.00 0.35 H new ATOM 0 HG2 PRO A 14 16.587 -12.992 -3.491 1.00 0.53 H new ATOM 0 HG3 PRO A 14 15.476 -12.778 -2.152 1.00 0.53 H new ATOM 0 HD2 PRO A 14 15.219 -11.803 -4.993 1.00 0.37 H new ATOM 0 HD3 PRO A 14 13.975 -12.419 -3.923 1.00 0.37 H new ATOM 231 N VAL A 15 16.538 -7.605 -2.981 1.00 0.25 N ATOM 232 CA VAL A 15 17.187 -6.477 -3.624 1.00 0.24 C ATOM 233 C VAL A 15 18.398 -6.042 -2.807 1.00 0.24 C ATOM 234 O VAL A 15 18.333 -5.974 -1.578 1.00 0.24 O ATOM 235 CB VAL A 15 16.211 -5.293 -3.795 1.00 0.24 C ATOM 236 CG1 VAL A 15 16.883 -4.122 -4.495 1.00 0.28 C ATOM 237 CG2 VAL A 15 14.971 -5.731 -4.564 1.00 0.26 C ATOM 0 H VAL A 15 16.180 -7.406 -2.047 1.00 0.25 H new ATOM 0 HA VAL A 15 17.512 -6.791 -4.616 1.00 0.24 H new ATOM 0 HB VAL A 15 15.909 -4.962 -2.801 1.00 0.24 H new ATOM 0 HG11 VAL A 15 16.171 -3.304 -4.601 1.00 0.28 H new ATOM 0 HG12 VAL A 15 17.736 -3.786 -3.905 1.00 0.28 H new ATOM 0 HG13 VAL A 15 17.225 -4.435 -5.481 1.00 0.28 H new ATOM 0 HG21 VAL A 15 14.294 -4.884 -4.675 1.00 0.26 H new ATOM 0 HG22 VAL A 15 15.263 -6.094 -5.549 1.00 0.26 H new ATOM 0 HG23 VAL A 15 14.467 -6.529 -4.018 1.00 0.26 H new ATOM 247 N GLU A 16 19.499 -5.771 -3.491 1.00 0.26 N ATOM 248 CA GLU A 16 20.728 -5.360 -2.835 1.00 0.28 C ATOM 249 C GLU A 16 20.794 -3.845 -2.712 1.00 0.27 C ATOM 250 O GLU A 16 20.848 -3.130 -3.716 1.00 0.30 O ATOM 251 CB GLU A 16 21.939 -5.871 -3.614 1.00 0.34 C ATOM 252 CG GLU A 16 23.262 -5.676 -2.889 1.00 0.38 C ATOM 253 CD GLU A 16 23.379 -6.544 -1.655 1.00 0.40 C ATOM 254 OE1 GLU A 16 23.466 -7.781 -1.804 1.00 0.44 O ATOM 255 OE2 GLU A 16 23.378 -5.999 -0.532 1.00 0.54 O ATOM 0 H GLU A 16 19.565 -5.829 -4.507 1.00 0.26 H new ATOM 0 HA GLU A 16 20.740 -5.790 -1.834 1.00 0.28 H new ATOM 0 HB2 GLU A 16 21.803 -6.932 -3.824 1.00 0.34 H new ATOM 0 HB3 GLU A 16 21.983 -5.359 -4.575 1.00 0.34 H new ATOM 0 HG2 GLU A 16 24.083 -5.904 -3.569 1.00 0.38 H new ATOM 0 HG3 GLU A 16 23.366 -4.629 -2.604 1.00 0.38 H new ATOM 262 N VAL A 17 20.773 -3.365 -1.482 1.00 0.27 N ATOM 263 CA VAL A 17 20.847 -1.939 -1.208 1.00 0.29 C ATOM 264 C VAL A 17 21.890 -1.671 -0.133 1.00 0.30 C ATOM 265 O VAL A 17 22.470 -2.604 0.432 1.00 0.32 O ATOM 266 CB VAL A 17 19.491 -1.359 -0.741 1.00 0.30 C ATOM 267 CG1 VAL A 17 18.465 -1.407 -1.863 1.00 0.33 C ATOM 268 CG2 VAL A 17 18.978 -2.096 0.487 1.00 0.31 C ATOM 0 H VAL A 17 20.705 -3.948 -0.648 1.00 0.27 H new ATOM 0 HA VAL A 17 21.123 -1.449 -2.142 1.00 0.29 H new ATOM 0 HB VAL A 17 19.649 -0.315 -0.469 1.00 0.30 H new ATOM 0 HG11 VAL A 17 17.520 -0.994 -1.510 1.00 0.33 H new ATOM 0 HG12 VAL A 17 18.824 -0.821 -2.709 1.00 0.33 H new ATOM 0 HG13 VAL A 17 18.315 -2.441 -2.175 1.00 0.33 H new ATOM 0 HG21 VAL A 17 18.024 -1.669 0.795 1.00 0.31 H new ATOM 0 HG22 VAL A 17 18.843 -3.151 0.248 1.00 0.31 H new ATOM 0 HG23 VAL A 17 19.699 -1.997 1.299 1.00 0.31 H new ATOM 278 N ASP A 18 22.135 -0.403 0.147 1.00 0.31 N ATOM 279 CA ASP A 18 23.098 -0.029 1.168 1.00 0.34 C ATOM 280 C ASP A 18 22.412 0.838 2.223 1.00 0.34 C ATOM 281 O ASP A 18 21.252 1.216 2.061 1.00 0.38 O ATOM 282 CB ASP A 18 24.301 0.684 0.538 1.00 0.38 C ATOM 283 CG ASP A 18 24.180 2.191 0.547 1.00 0.49 C ATOM 284 OD1 ASP A 18 23.293 2.728 -0.144 1.00 0.80 O ATOM 285 OD2 ASP A 18 24.977 2.843 1.249 1.00 0.79 O ATOM 0 H ASP A 18 21.681 0.384 -0.317 1.00 0.31 H new ATOM 0 HA ASP A 18 23.477 -0.926 1.658 1.00 0.34 H new ATOM 0 HB2 ASP A 18 25.205 0.397 1.074 1.00 0.38 H new ATOM 0 HB3 ASP A 18 24.418 0.343 -0.491 1.00 0.38 H new ATOM 290 N SER A 19 23.118 1.148 3.299 1.00 0.37 N ATOM 291 CA SER A 19 22.552 1.939 4.384 1.00 0.39 C ATOM 292 C SER A 19 22.213 3.371 3.953 1.00 0.38 C ATOM 293 O SER A 19 21.293 3.985 4.501 1.00 0.42 O ATOM 294 CB SER A 19 23.520 1.946 5.566 1.00 0.45 C ATOM 295 OG SER A 19 24.019 0.638 5.810 1.00 0.57 O ATOM 0 H SER A 19 24.087 0.864 3.446 1.00 0.37 H new ATOM 0 HA SER A 19 21.611 1.474 4.680 1.00 0.39 H new ATOM 0 HB2 SER A 19 24.348 2.625 5.361 1.00 0.45 H new ATOM 0 HB3 SER A 19 23.014 2.320 6.456 1.00 0.45 H new ATOM 0 HG SER A 19 23.318 -0.020 5.622 1.00 0.57 H new ATOM 301 N ASP A 20 22.940 3.901 2.972 1.00 0.38 N ATOM 302 CA ASP A 20 22.695 5.262 2.493 1.00 0.42 C ATOM 303 C ASP A 20 21.551 5.305 1.480 1.00 0.38 C ATOM 304 O ASP A 20 21.101 6.382 1.085 1.00 0.42 O ATOM 305 CB ASP A 20 23.965 5.847 1.866 1.00 0.53 C ATOM 306 CG ASP A 20 23.882 7.348 1.668 1.00 0.83 C ATOM 307 OD1 ASP A 20 23.845 8.084 2.674 1.00 1.40 O ATOM 308 OD2 ASP A 20 23.865 7.807 0.503 1.00 1.47 O ATOM 0 H ASP A 20 23.699 3.414 2.495 1.00 0.38 H new ATOM 0 HA ASP A 20 22.408 5.864 3.355 1.00 0.42 H new ATOM 0 HB2 ASP A 20 24.819 5.615 2.502 1.00 0.53 H new ATOM 0 HB3 ASP A 20 24.145 5.367 0.904 1.00 0.53 H new ATOM 313 N THR A 21 21.075 4.136 1.068 1.00 0.35 N ATOM 314 CA THR A 21 19.987 4.044 0.104 1.00 0.32 C ATOM 315 C THR A 21 18.708 4.692 0.641 1.00 0.34 C ATOM 316 O THR A 21 18.343 4.506 1.804 1.00 0.36 O ATOM 317 CB THR A 21 19.701 2.569 -0.254 1.00 0.29 C ATOM 318 OG1 THR A 21 20.870 1.965 -0.823 1.00 0.38 O ATOM 319 CG2 THR A 21 18.539 2.447 -1.230 1.00 0.41 C ATOM 0 H THR A 21 21.428 3.235 1.389 1.00 0.35 H new ATOM 0 HA THR A 21 20.301 4.581 -0.791 1.00 0.32 H new ATOM 0 HB THR A 21 19.430 2.051 0.666 1.00 0.29 H new ATOM 0 HG1 THR A 21 21.658 2.503 -0.599 1.00 0.38 H new ATOM 0 HG21 THR A 21 18.366 1.396 -1.460 1.00 0.41 H new ATOM 0 HG22 THR A 21 17.641 2.873 -0.782 1.00 0.41 H new ATOM 0 HG23 THR A 21 18.777 2.985 -2.148 1.00 0.41 H new ATOM 327 N SER A 22 18.042 5.464 -0.209 1.00 0.36 N ATOM 328 CA SER A 22 16.805 6.129 0.164 1.00 0.38 C ATOM 329 C SER A 22 15.601 5.336 -0.334 1.00 0.31 C ATOM 330 O SER A 22 15.697 4.603 -1.321 1.00 0.28 O ATOM 331 CB SER A 22 16.777 7.541 -0.420 1.00 0.47 C ATOM 332 OG SER A 22 17.836 8.327 0.093 1.00 0.80 O ATOM 0 H SER A 22 18.343 5.644 -1.167 1.00 0.36 H new ATOM 0 HA SER A 22 16.756 6.189 1.251 1.00 0.38 H new ATOM 0 HB2 SER A 22 16.851 7.490 -1.506 1.00 0.47 H new ATOM 0 HB3 SER A 22 15.823 8.015 -0.188 1.00 0.47 H new ATOM 0 HG SER A 22 17.796 9.225 -0.298 1.00 0.80 H new ATOM 338 N ILE A 23 14.477 5.481 0.363 1.00 0.30 N ATOM 339 CA ILE A 23 13.240 4.796 -0.002 1.00 0.28 C ATOM 340 C ILE A 23 12.867 5.092 -1.455 1.00 0.28 C ATOM 341 O ILE A 23 12.465 4.198 -2.201 1.00 0.28 O ATOM 342 CB ILE A 23 12.081 5.212 0.933 1.00 0.33 C ATOM 343 CG1 ILE A 23 12.392 4.812 2.380 1.00 0.40 C ATOM 344 CG2 ILE A 23 10.763 4.602 0.479 1.00 0.39 C ATOM 345 CD1 ILE A 23 12.540 3.319 2.591 1.00 0.41 C ATOM 0 H ILE A 23 14.398 6.072 1.191 1.00 0.30 H new ATOM 0 HA ILE A 23 13.408 3.725 0.108 1.00 0.28 H new ATOM 0 HB ILE A 23 11.980 6.296 0.886 1.00 0.33 H new ATOM 0 HG12 ILE A 23 13.313 5.305 2.692 1.00 0.40 H new ATOM 0 HG13 ILE A 23 11.597 5.182 3.027 1.00 0.40 H new ATOM 0 HG21 ILE A 23 9.966 4.912 1.155 1.00 0.39 H new ATOM 0 HG22 ILE A 23 10.534 4.941 -0.531 1.00 0.39 H new ATOM 0 HG23 ILE A 23 10.843 3.515 0.487 1.00 0.39 H new ATOM 0 HD11 ILE A 23 12.759 3.120 3.640 1.00 0.41 H new ATOM 0 HD12 ILE A 23 11.613 2.818 2.312 1.00 0.41 H new ATOM 0 HD13 ILE A 23 13.355 2.943 1.972 1.00 0.41 H new ATOM 357 N PHE A 24 13.013 6.356 -1.847 1.00 0.33 N ATOM 358 CA PHE A 24 12.721 6.793 -3.212 1.00 0.39 C ATOM 359 C PHE A 24 13.433 5.915 -4.244 1.00 0.35 C ATOM 360 O PHE A 24 12.820 5.459 -5.212 1.00 0.35 O ATOM 361 CB PHE A 24 13.145 8.257 -3.387 1.00 0.53 C ATOM 362 CG PHE A 24 13.186 8.731 -4.816 1.00 0.71 C ATOM 363 CD1 PHE A 24 12.055 8.678 -5.618 1.00 1.21 C ATOM 364 CD2 PHE A 24 14.358 9.244 -5.351 1.00 0.95 C ATOM 365 CE1 PHE A 24 12.094 9.127 -6.924 1.00 1.39 C ATOM 366 CE2 PHE A 24 14.402 9.693 -6.656 1.00 1.14 C ATOM 367 CZ PHE A 24 13.269 9.635 -7.442 1.00 1.18 C ATOM 0 H PHE A 24 13.335 7.103 -1.232 1.00 0.33 H new ATOM 0 HA PHE A 24 11.648 6.700 -3.377 1.00 0.39 H new ATOM 0 HB2 PHE A 24 12.457 8.890 -2.827 1.00 0.53 H new ATOM 0 HB3 PHE A 24 14.132 8.391 -2.945 1.00 0.53 H new ATOM 0 HD1 PHE A 24 11.134 8.281 -5.217 1.00 1.21 H new ATOM 0 HD2 PHE A 24 15.247 9.293 -4.740 1.00 0.95 H new ATOM 0 HE1 PHE A 24 11.207 9.081 -7.539 1.00 1.39 H new ATOM 0 HE2 PHE A 24 15.322 10.089 -7.061 1.00 1.14 H new ATOM 0 HZ PHE A 24 13.301 9.987 -8.463 1.00 1.18 H new ATOM 377 N GLN A 25 14.714 5.667 -4.013 1.00 0.35 N ATOM 378 CA GLN A 25 15.523 4.858 -4.919 1.00 0.35 C ATOM 379 C GLN A 25 15.024 3.417 -4.961 1.00 0.29 C ATOM 380 O GLN A 25 14.879 2.839 -6.040 1.00 0.31 O ATOM 381 CB GLN A 25 16.990 4.911 -4.498 1.00 0.38 C ATOM 382 CG GLN A 25 17.589 6.306 -4.601 1.00 0.58 C ATOM 383 CD GLN A 25 18.869 6.461 -3.803 1.00 0.55 C ATOM 384 OE1 GLN A 25 19.047 5.833 -2.759 1.00 0.47 O ATOM 385 NE2 GLN A 25 19.767 7.306 -4.286 1.00 0.94 N ATOM 0 H GLN A 25 15.221 6.017 -3.200 1.00 0.35 H new ATOM 0 HA GLN A 25 15.431 5.269 -5.924 1.00 0.35 H new ATOM 0 HB2 GLN A 25 17.080 4.558 -3.471 1.00 0.38 H new ATOM 0 HB3 GLN A 25 17.566 4.227 -5.122 1.00 0.38 H new ATOM 0 HG2 GLN A 25 17.790 6.533 -5.648 1.00 0.58 H new ATOM 0 HG3 GLN A 25 16.859 7.036 -4.252 1.00 0.58 H new ATOM 0 HE21 GLN A 25 19.581 7.807 -5.155 1.00 0.94 H new ATOM 0 HE22 GLN A 25 20.645 7.456 -3.789 1.00 0.94 H new ATOM 394 N LEU A 26 14.779 2.837 -3.787 1.00 0.26 N ATOM 395 CA LEU A 26 14.269 1.467 -3.690 1.00 0.26 C ATOM 396 C LEU A 26 12.943 1.322 -4.444 1.00 0.26 C ATOM 397 O LEU A 26 12.639 0.268 -5.006 1.00 0.29 O ATOM 398 CB LEU A 26 14.073 1.078 -2.222 1.00 0.29 C ATOM 399 CG LEU A 26 13.533 -0.337 -1.992 1.00 0.33 C ATOM 400 CD1 LEU A 26 14.595 -1.379 -2.301 1.00 0.39 C ATOM 401 CD2 LEU A 26 13.035 -0.492 -0.564 1.00 0.43 C ATOM 0 H LEU A 26 14.925 3.294 -2.887 1.00 0.26 H new ATOM 0 HA LEU A 26 15.002 0.801 -4.145 1.00 0.26 H new ATOM 0 HB2 LEU A 26 15.028 1.174 -1.706 1.00 0.29 H new ATOM 0 HB3 LEU A 26 13.389 1.791 -1.761 1.00 0.29 H new ATOM 0 HG LEU A 26 12.695 -0.495 -2.671 1.00 0.33 H new ATOM 0 HD11 LEU A 26 14.188 -2.375 -2.130 1.00 0.39 H new ATOM 0 HD12 LEU A 26 14.903 -1.287 -3.342 1.00 0.39 H new ATOM 0 HD13 LEU A 26 15.457 -1.223 -1.652 1.00 0.39 H new ATOM 0 HD21 LEU A 26 12.655 -1.503 -0.419 1.00 0.43 H new ATOM 0 HD22 LEU A 26 13.856 -0.310 0.129 1.00 0.43 H new ATOM 0 HD23 LEU A 26 12.236 0.226 -0.377 1.00 0.43 H new ATOM 413 N LYS A 27 12.164 2.393 -4.455 1.00 0.25 N ATOM 414 CA LYS A 27 10.881 2.396 -5.143 1.00 0.27 C ATOM 415 C LYS A 27 11.088 2.373 -6.648 1.00 0.29 C ATOM 416 O LYS A 27 10.372 1.685 -7.376 1.00 0.30 O ATOM 417 CB LYS A 27 10.065 3.618 -4.745 1.00 0.30 C ATOM 418 CG LYS A 27 9.439 3.500 -3.368 1.00 0.48 C ATOM 419 CD LYS A 27 8.837 4.821 -2.913 1.00 0.53 C ATOM 420 CE LYS A 27 8.153 5.537 -4.063 1.00 0.48 C ATOM 421 NZ LYS A 27 7.395 6.734 -3.618 1.00 0.56 N ATOM 0 H LYS A 27 12.398 3.273 -3.995 1.00 0.25 H new ATOM 0 HA LYS A 27 10.332 1.501 -4.851 1.00 0.27 H new ATOM 0 HB2 LYS A 27 10.707 4.499 -4.770 1.00 0.30 H new ATOM 0 HB3 LYS A 27 9.278 3.776 -5.482 1.00 0.30 H new ATOM 0 HG2 LYS A 27 8.665 2.733 -3.384 1.00 0.48 H new ATOM 0 HG3 LYS A 27 10.194 3.177 -2.651 1.00 0.48 H new ATOM 0 HD2 LYS A 27 8.118 4.640 -2.114 1.00 0.53 H new ATOM 0 HD3 LYS A 27 9.620 5.457 -2.499 1.00 0.53 H new ATOM 0 HE2 LYS A 27 8.901 5.837 -4.796 1.00 0.48 H new ATOM 0 HE3 LYS A 27 7.474 4.847 -4.564 1.00 0.48 H new ATOM 0 HZ1 LYS A 27 7.104 7.289 -4.448 1.00 0.56 H new ATOM 0 HZ2 LYS A 27 6.551 6.434 -3.089 1.00 0.56 H new ATOM 0 HZ3 LYS A 27 7.998 7.318 -3.004 1.00 0.56 H new ATOM 435 N GLU A 28 12.080 3.136 -7.110 1.00 0.30 N ATOM 436 CA GLU A 28 12.408 3.203 -8.524 1.00 0.34 C ATOM 437 C GLU A 28 12.755 1.820 -9.072 1.00 0.35 C ATOM 438 O GLU A 28 12.508 1.532 -10.242 1.00 0.37 O ATOM 439 CB GLU A 28 13.581 4.149 -8.756 1.00 0.40 C ATOM 440 CG GLU A 28 13.266 5.607 -8.464 1.00 0.46 C ATOM 441 CD GLU A 28 14.385 6.528 -8.897 1.00 0.88 C ATOM 442 OE1 GLU A 28 15.475 6.473 -8.289 1.00 1.39 O ATOM 443 OE2 GLU A 28 14.187 7.296 -9.864 1.00 1.22 O ATOM 0 H GLU A 28 12.671 3.718 -6.516 1.00 0.30 H new ATOM 0 HA GLU A 28 11.531 3.580 -9.050 1.00 0.34 H new ATOM 0 HB2 GLU A 28 14.416 3.836 -8.130 1.00 0.40 H new ATOM 0 HB3 GLU A 28 13.908 4.059 -9.792 1.00 0.40 H new ATOM 0 HG2 GLU A 28 12.346 5.889 -8.977 1.00 0.46 H new ATOM 0 HG3 GLU A 28 13.087 5.732 -7.396 1.00 0.46 H new ATOM 450 N VAL A 29 13.318 0.968 -8.216 1.00 0.35 N ATOM 451 CA VAL A 29 13.674 -0.393 -8.607 1.00 0.39 C ATOM 452 C VAL A 29 12.429 -1.135 -9.086 1.00 0.37 C ATOM 453 O VAL A 29 12.465 -1.872 -10.076 1.00 0.40 O ATOM 454 CB VAL A 29 14.315 -1.177 -7.437 1.00 0.42 C ATOM 455 CG1 VAL A 29 14.784 -2.549 -7.899 1.00 0.49 C ATOM 456 CG2 VAL A 29 15.469 -0.390 -6.830 1.00 0.45 C ATOM 0 H VAL A 29 13.537 1.198 -7.247 1.00 0.35 H new ATOM 0 HA VAL A 29 14.406 -0.324 -9.412 1.00 0.39 H new ATOM 0 HB VAL A 29 13.556 -1.319 -6.667 1.00 0.42 H new ATOM 0 HG11 VAL A 29 15.231 -3.082 -7.060 1.00 0.49 H new ATOM 0 HG12 VAL A 29 13.933 -3.116 -8.277 1.00 0.49 H new ATOM 0 HG13 VAL A 29 15.524 -2.433 -8.691 1.00 0.49 H new ATOM 0 HG21 VAL A 29 15.906 -0.959 -6.009 1.00 0.45 H new ATOM 0 HG22 VAL A 29 16.228 -0.211 -7.592 1.00 0.45 H new ATOM 0 HG23 VAL A 29 15.101 0.564 -6.454 1.00 0.45 H new ATOM 466 N VAL A 30 11.325 -0.918 -8.384 1.00 0.33 N ATOM 467 CA VAL A 30 10.057 -1.542 -8.734 1.00 0.34 C ATOM 468 C VAL A 30 9.400 -0.782 -9.885 1.00 0.32 C ATOM 469 O VAL A 30 8.776 -1.378 -10.769 1.00 0.34 O ATOM 470 CB VAL A 30 9.080 -1.562 -7.536 1.00 0.35 C ATOM 471 CG1 VAL A 30 8.013 -2.632 -7.727 1.00 0.49 C ATOM 472 CG2 VAL A 30 9.831 -1.769 -6.228 1.00 0.36 C ATOM 0 H VAL A 30 11.283 -0.311 -7.565 1.00 0.33 H new ATOM 0 HA VAL A 30 10.272 -2.569 -9.029 1.00 0.34 H new ATOM 0 HB VAL A 30 8.582 -0.594 -7.488 1.00 0.35 H new ATOM 0 HG11 VAL A 30 7.337 -2.628 -6.872 1.00 0.49 H new ATOM 0 HG12 VAL A 30 7.449 -2.425 -8.637 1.00 0.49 H new ATOM 0 HG13 VAL A 30 8.488 -3.609 -7.809 1.00 0.49 H new ATOM 0 HG21 VAL A 30 9.123 -1.779 -5.400 1.00 0.36 H new ATOM 0 HG22 VAL A 30 10.365 -2.719 -6.261 1.00 0.36 H new ATOM 0 HG23 VAL A 30 10.544 -0.957 -6.085 1.00 0.36 H new ATOM 482 N ALA A 31 9.570 0.536 -9.863 1.00 0.31 N ATOM 483 CA ALA A 31 9.011 1.420 -10.878 1.00 0.32 C ATOM 484 C ALA A 31 9.462 1.018 -12.277 1.00 0.34 C ATOM 485 O ALA A 31 8.637 0.803 -13.165 1.00 0.37 O ATOM 486 CB ALA A 31 9.417 2.858 -10.592 1.00 0.33 C ATOM 0 H ALA A 31 10.100 1.021 -9.139 1.00 0.31 H new ATOM 0 HA ALA A 31 7.925 1.334 -10.839 1.00 0.32 H new ATOM 0 HB1 ALA A 31 8.996 3.513 -11.354 1.00 0.33 H new ATOM 0 HB2 ALA A 31 9.042 3.154 -9.612 1.00 0.33 H new ATOM 0 HB3 ALA A 31 10.504 2.939 -10.604 1.00 0.33 H new ATOM 492 N LYS A 32 10.771 0.888 -12.462 1.00 0.35 N ATOM 493 CA LYS A 32 11.333 0.521 -13.758 1.00 0.39 C ATOM 494 C LYS A 32 11.092 -0.953 -14.083 1.00 0.39 C ATOM 495 O LYS A 32 11.259 -1.379 -15.224 1.00 0.42 O ATOM 496 CB LYS A 32 12.839 0.806 -13.785 1.00 0.42 C ATOM 497 CG LYS A 32 13.622 0.042 -12.728 1.00 0.45 C ATOM 498 CD LYS A 32 14.894 -0.555 -13.301 1.00 0.73 C ATOM 499 CE LYS A 32 15.647 -1.354 -12.253 1.00 0.80 C ATOM 500 NZ LYS A 32 16.845 -2.032 -12.816 1.00 1.08 N ATOM 0 H LYS A 32 11.465 1.032 -11.729 1.00 0.35 H new ATOM 0 HA LYS A 32 10.829 1.125 -14.512 1.00 0.39 H new ATOM 0 HB2 LYS A 32 13.231 0.552 -14.770 1.00 0.42 H new ATOM 0 HB3 LYS A 32 13.001 1.875 -13.643 1.00 0.42 H new ATOM 0 HG2 LYS A 32 13.872 0.711 -11.904 1.00 0.45 H new ATOM 0 HG3 LYS A 32 13.000 -0.752 -12.316 1.00 0.45 H new ATOM 0 HD2 LYS A 32 14.648 -1.199 -14.145 1.00 0.73 H new ATOM 0 HD3 LYS A 32 15.533 0.242 -13.683 1.00 0.73 H new ATOM 0 HE2 LYS A 32 15.954 -0.691 -11.444 1.00 0.80 H new ATOM 0 HE3 LYS A 32 14.981 -2.099 -11.819 1.00 0.80 H new ATOM 0 HZ1 LYS A 32 17.327 -2.565 -12.065 1.00 1.08 H new ATOM 0 HZ2 LYS A 32 16.552 -2.685 -13.570 1.00 1.08 H new ATOM 0 HZ3 LYS A 32 17.495 -1.320 -13.207 1.00 1.08 H new ATOM 514 N ARG A 33 10.704 -1.732 -13.080 1.00 0.37 N ATOM 515 CA ARG A 33 10.469 -3.155 -13.277 1.00 0.39 C ATOM 516 C ARG A 33 9.059 -3.431 -13.793 1.00 0.40 C ATOM 517 O ARG A 33 8.877 -4.194 -14.743 1.00 0.47 O ATOM 518 CB ARG A 33 10.697 -3.922 -11.971 1.00 0.39 C ATOM 519 CG ARG A 33 11.461 -5.222 -12.157 1.00 0.57 C ATOM 520 CD ARG A 33 11.369 -6.104 -10.925 1.00 0.74 C ATOM 521 NE ARG A 33 10.148 -6.901 -10.919 1.00 0.95 N ATOM 522 CZ ARG A 33 10.112 -8.213 -11.183 1.00 1.18 C ATOM 523 NH1 ARG A 33 11.224 -8.860 -11.502 1.00 1.84 N ATOM 524 NH2 ARG A 33 8.959 -8.865 -11.136 1.00 1.71 N ATOM 0 H ARG A 33 10.546 -1.403 -12.127 1.00 0.37 H new ATOM 0 HA ARG A 33 11.179 -3.498 -14.030 1.00 0.39 H new ATOM 0 HB2 ARG A 33 11.243 -3.285 -11.276 1.00 0.39 H new ATOM 0 HB3 ARG A 33 9.732 -4.139 -11.513 1.00 0.39 H new ATOM 0 HG2 ARG A 33 11.064 -5.758 -13.019 1.00 0.57 H new ATOM 0 HG3 ARG A 33 12.507 -5.003 -12.371 1.00 0.57 H new ATOM 0 HD2 ARG A 33 12.235 -6.765 -10.886 1.00 0.74 H new ATOM 0 HD3 ARG A 33 11.402 -5.483 -10.030 1.00 0.74 H new ATOM 0 HE ARG A 33 9.269 -6.431 -10.701 1.00 0.95 H new ATOM 0 HH11 ARG A 33 12.111 -8.358 -11.547 1.00 1.84 H new ATOM 0 HH12 ARG A 33 11.193 -9.860 -11.702 1.00 1.84 H new ATOM 0 HH21 ARG A 33 8.101 -8.367 -10.899 1.00 1.71 H new ATOM 0 HH22 ARG A 33 8.930 -9.865 -11.337 1.00 1.71 H new ATOM 538 N GLN A 34 8.066 -2.815 -13.169 1.00 0.39 N ATOM 539 CA GLN A 34 6.676 -3.038 -13.557 1.00 0.42 C ATOM 540 C GLN A 34 6.179 -1.973 -14.529 1.00 0.43 C ATOM 541 O GLN A 34 5.187 -2.180 -15.228 1.00 0.48 O ATOM 542 CB GLN A 34 5.767 -3.066 -12.319 1.00 0.43 C ATOM 543 CG GLN A 34 6.340 -3.849 -11.144 1.00 0.55 C ATOM 544 CD GLN A 34 6.675 -5.293 -11.486 1.00 0.70 C ATOM 545 OE1 GLN A 34 7.624 -5.864 -10.945 1.00 0.95 O ATOM 546 NE2 GLN A 34 5.897 -5.900 -12.368 1.00 0.80 N ATOM 0 H GLN A 34 8.192 -2.161 -12.397 1.00 0.39 H new ATOM 0 HA GLN A 34 6.636 -4.004 -14.061 1.00 0.42 H new ATOM 0 HB2 GLN A 34 5.574 -2.042 -12.000 1.00 0.43 H new ATOM 0 HB3 GLN A 34 4.806 -3.499 -12.597 1.00 0.43 H new ATOM 0 HG2 GLN A 34 7.241 -3.349 -10.789 1.00 0.55 H new ATOM 0 HG3 GLN A 34 5.623 -3.835 -10.323 1.00 0.55 H new ATOM 0 HE21 GLN A 34 5.120 -5.395 -12.795 1.00 0.80 H new ATOM 0 HE22 GLN A 34 6.074 -6.872 -12.620 1.00 0.80 H new ATOM 555 N GLY A 35 6.868 -0.845 -14.586 1.00 0.41 N ATOM 556 CA GLY A 35 6.444 0.227 -15.461 1.00 0.44 C ATOM 557 C GLY A 35 5.387 1.077 -14.791 1.00 0.43 C ATOM 558 O GLY A 35 4.291 1.268 -15.319 1.00 0.47 O ATOM 0 H GLY A 35 7.710 -0.652 -14.044 1.00 0.41 H new ATOM 0 HA2 GLY A 35 7.301 0.846 -15.727 1.00 0.44 H new ATOM 0 HA3 GLY A 35 6.050 -0.188 -16.389 1.00 0.44 H new ATOM 562 N VAL A 36 5.712 1.552 -13.598 1.00 0.39 N ATOM 563 CA VAL A 36 4.806 2.374 -12.810 1.00 0.39 C ATOM 564 C VAL A 36 5.564 3.566 -12.231 1.00 0.39 C ATOM 565 O VAL A 36 6.662 3.393 -11.718 1.00 0.42 O ATOM 566 CB VAL A 36 4.194 1.558 -11.644 1.00 0.41 C ATOM 567 CG1 VAL A 36 3.177 2.381 -10.871 1.00 0.67 C ATOM 568 CG2 VAL A 36 3.561 0.265 -12.146 1.00 0.74 C ATOM 0 H VAL A 36 6.611 1.378 -13.149 1.00 0.39 H new ATOM 0 HA VAL A 36 4.004 2.718 -13.464 1.00 0.39 H new ATOM 0 HB VAL A 36 5.008 1.298 -10.967 1.00 0.41 H new ATOM 0 HG11 VAL A 36 2.765 1.781 -10.059 1.00 0.67 H new ATOM 0 HG12 VAL A 36 3.663 3.265 -10.459 1.00 0.67 H new ATOM 0 HG13 VAL A 36 2.373 2.687 -11.540 1.00 0.67 H new ATOM 0 HG21 VAL A 36 3.140 -0.285 -11.304 1.00 0.74 H new ATOM 0 HG22 VAL A 36 2.770 0.500 -12.858 1.00 0.74 H new ATOM 0 HG23 VAL A 36 4.320 -0.345 -12.636 1.00 0.74 H new ATOM 578 N PRO A 37 5.005 4.785 -12.328 1.00 0.40 N ATOM 579 CA PRO A 37 5.645 5.989 -11.784 1.00 0.42 C ATOM 580 C PRO A 37 5.976 5.829 -10.300 1.00 0.39 C ATOM 581 O PRO A 37 5.133 5.391 -9.510 1.00 0.38 O ATOM 582 CB PRO A 37 4.591 7.082 -11.989 1.00 0.46 C ATOM 583 CG PRO A 37 3.743 6.589 -13.109 1.00 0.52 C ATOM 584 CD PRO A 37 3.720 5.093 -12.981 1.00 0.47 C ATOM 0 HA PRO A 37 6.594 6.210 -12.272 1.00 0.42 H new ATOM 0 HB2 PRO A 37 4.001 7.237 -11.085 1.00 0.46 H new ATOM 0 HB3 PRO A 37 5.055 8.037 -12.235 1.00 0.46 H new ATOM 0 HG2 PRO A 37 2.736 7.002 -13.047 1.00 0.52 H new ATOM 0 HG3 PRO A 37 4.153 6.892 -14.072 1.00 0.52 H new ATOM 0 HD2 PRO A 37 2.874 4.754 -12.383 1.00 0.47 H new ATOM 0 HD3 PRO A 37 3.637 4.608 -13.954 1.00 0.47 H new ATOM 592 N ALA A 38 7.198 6.189 -9.930 1.00 0.41 N ATOM 593 CA ALA A 38 7.659 6.075 -8.550 1.00 0.41 C ATOM 594 C ALA A 38 6.807 6.897 -7.584 1.00 0.43 C ATOM 595 O ALA A 38 6.706 6.569 -6.402 1.00 0.48 O ATOM 596 CB ALA A 38 9.120 6.494 -8.449 1.00 0.44 C ATOM 0 H ALA A 38 7.895 6.566 -10.572 1.00 0.41 H new ATOM 0 HA ALA A 38 7.558 5.029 -8.260 1.00 0.41 H new ATOM 0 HB1 ALA A 38 9.453 6.405 -7.415 1.00 0.44 H new ATOM 0 HB2 ALA A 38 9.728 5.849 -9.083 1.00 0.44 H new ATOM 0 HB3 ALA A 38 9.225 7.528 -8.776 1.00 0.44 H new ATOM 602 N ASP A 39 6.187 7.962 -8.076 1.00 0.42 N ATOM 603 CA ASP A 39 5.352 8.816 -7.233 1.00 0.46 C ATOM 604 C ASP A 39 4.045 8.125 -6.845 1.00 0.44 C ATOM 605 O ASP A 39 3.348 8.568 -5.935 1.00 0.56 O ATOM 606 CB ASP A 39 5.053 10.152 -7.924 1.00 0.51 C ATOM 607 CG ASP A 39 4.567 9.994 -9.353 1.00 0.93 C ATOM 608 OD1 ASP A 39 5.417 9.811 -10.252 1.00 1.59 O ATOM 609 OD2 ASP A 39 3.346 10.080 -9.590 1.00 1.55 O ATOM 0 H ASP A 39 6.245 8.257 -9.051 1.00 0.42 H new ATOM 0 HA ASP A 39 5.917 9.011 -6.321 1.00 0.46 H new ATOM 0 HB2 ASP A 39 4.299 10.690 -7.349 1.00 0.51 H new ATOM 0 HB3 ASP A 39 5.954 10.765 -7.920 1.00 0.51 H new ATOM 614 N GLN A 40 3.726 7.027 -7.519 1.00 0.36 N ATOM 615 CA GLN A 40 2.501 6.288 -7.232 1.00 0.36 C ATOM 616 C GLN A 40 2.788 5.044 -6.398 1.00 0.35 C ATOM 617 O GLN A 40 1.883 4.280 -6.075 1.00 0.52 O ATOM 618 CB GLN A 40 1.805 5.888 -8.534 1.00 0.38 C ATOM 619 CG GLN A 40 0.997 7.012 -9.164 1.00 0.59 C ATOM 620 CD GLN A 40 0.554 6.696 -10.579 1.00 0.65 C ATOM 621 OE1 GLN A 40 0.396 7.593 -11.404 1.00 0.78 O ATOM 622 NE2 GLN A 40 0.351 5.421 -10.872 1.00 1.01 N ATOM 0 H GLN A 40 4.296 6.629 -8.266 1.00 0.36 H new ATOM 0 HA GLN A 40 1.845 6.942 -6.658 1.00 0.36 H new ATOM 0 HB2 GLN A 40 2.556 5.548 -9.247 1.00 0.38 H new ATOM 0 HB3 GLN A 40 1.145 5.043 -8.338 1.00 0.38 H new ATOM 0 HG2 GLN A 40 0.119 7.211 -8.549 1.00 0.59 H new ATOM 0 HG3 GLN A 40 1.595 7.923 -9.170 1.00 0.59 H new ATOM 0 HE21 GLN A 40 0.493 4.705 -10.159 1.00 1.01 H new ATOM 0 HE22 GLN A 40 0.053 5.155 -11.810 1.00 1.01 H new ATOM 631 N LEU A 41 4.046 4.849 -6.035 1.00 0.30 N ATOM 632 CA LEU A 41 4.433 3.685 -5.250 1.00 0.28 C ATOM 633 C LEU A 41 4.627 4.042 -3.779 1.00 0.26 C ATOM 634 O LEU A 41 5.116 5.125 -3.449 1.00 0.27 O ATOM 635 CB LEU A 41 5.713 3.068 -5.808 1.00 0.29 C ATOM 636 CG LEU A 41 5.560 2.362 -7.157 1.00 0.32 C ATOM 637 CD1 LEU A 41 6.917 1.937 -7.681 1.00 0.37 C ATOM 638 CD2 LEU A 41 4.641 1.154 -7.030 1.00 0.41 C ATOM 0 H LEU A 41 4.814 5.478 -6.270 1.00 0.30 H new ATOM 0 HA LEU A 41 3.624 2.958 -5.319 1.00 0.28 H new ATOM 0 HB2 LEU A 41 6.462 3.853 -5.910 1.00 0.29 H new ATOM 0 HB3 LEU A 41 6.099 2.352 -5.083 1.00 0.29 H new ATOM 0 HG LEU A 41 5.112 3.061 -7.864 1.00 0.32 H new ATOM 0 HD11 LEU A 41 6.796 1.436 -8.641 1.00 0.37 H new ATOM 0 HD12 LEU A 41 7.550 2.816 -7.808 1.00 0.37 H new ATOM 0 HD13 LEU A 41 7.383 1.254 -6.971 1.00 0.37 H new ATOM 0 HD21 LEU A 41 4.545 0.666 -8.000 1.00 0.41 H new ATOM 0 HD22 LEU A 41 5.061 0.451 -6.310 1.00 0.41 H new ATOM 0 HD23 LEU A 41 3.658 1.479 -6.689 1.00 0.41 H new ATOM 650 N ARG A 42 4.229 3.130 -2.903 1.00 0.26 N ATOM 651 CA ARG A 42 4.362 3.328 -1.464 1.00 0.26 C ATOM 652 C ARG A 42 5.060 2.126 -0.847 1.00 0.25 C ATOM 653 O ARG A 42 4.967 1.019 -1.372 1.00 0.26 O ATOM 654 CB ARG A 42 2.988 3.515 -0.813 1.00 0.31 C ATOM 655 CG ARG A 42 2.129 4.579 -1.479 1.00 0.41 C ATOM 656 CD ARG A 42 2.611 5.983 -1.155 1.00 0.53 C ATOM 657 NE ARG A 42 2.268 6.371 0.209 1.00 0.55 N ATOM 658 CZ ARG A 42 1.991 7.616 0.591 1.00 0.84 C ATOM 659 NH1 ARG A 42 2.022 8.615 -0.284 1.00 1.04 N ATOM 660 NH2 ARG A 42 1.676 7.851 1.853 1.00 1.04 N ATOM 0 H ARG A 42 3.808 2.239 -3.165 1.00 0.26 H new ATOM 0 HA ARG A 42 4.953 4.227 -1.290 1.00 0.26 H new ATOM 0 HB2 ARG A 42 2.454 2.565 -0.835 1.00 0.31 H new ATOM 0 HB3 ARG A 42 3.127 3.778 0.236 1.00 0.31 H new ATOM 0 HG2 ARG A 42 2.141 4.431 -2.559 1.00 0.41 H new ATOM 0 HG3 ARG A 42 1.095 4.466 -1.154 1.00 0.41 H new ATOM 0 HD2 ARG A 42 3.692 6.036 -1.287 1.00 0.53 H new ATOM 0 HD3 ARG A 42 2.169 6.690 -1.857 1.00 0.53 H new ATOM 0 HE ARG A 42 2.238 5.639 0.918 1.00 0.55 H new ATOM 0 HH11 ARG A 42 2.260 8.432 -1.259 1.00 1.04 H new ATOM 0 HH12 ARG A 42 1.808 9.565 0.019 1.00 1.04 H new ATOM 0 HH21 ARG A 42 1.647 7.082 2.523 1.00 1.04 H new ATOM 0 HH22 ARG A 42 1.462 8.801 2.157 1.00 1.04 H new ATOM 674 N VAL A 43 5.755 2.341 0.260 1.00 0.25 N ATOM 675 CA VAL A 43 6.463 1.263 0.933 1.00 0.25 C ATOM 676 C VAL A 43 5.928 1.087 2.344 1.00 0.27 C ATOM 677 O VAL A 43 6.036 1.990 3.171 1.00 0.28 O ATOM 678 CB VAL A 43 7.985 1.524 0.997 1.00 0.25 C ATOM 679 CG1 VAL A 43 8.717 0.309 1.552 1.00 0.27 C ATOM 680 CG2 VAL A 43 8.530 1.893 -0.373 1.00 0.23 C ATOM 0 H VAL A 43 5.844 3.252 0.711 1.00 0.25 H new ATOM 0 HA VAL A 43 6.296 0.355 0.353 1.00 0.25 H new ATOM 0 HB VAL A 43 8.154 2.365 1.669 1.00 0.25 H new ATOM 0 HG11 VAL A 43 9.787 0.514 1.588 1.00 0.27 H new ATOM 0 HG12 VAL A 43 8.354 0.093 2.557 1.00 0.27 H new ATOM 0 HG13 VAL A 43 8.534 -0.551 0.908 1.00 0.27 H new ATOM 0 HG21 VAL A 43 9.603 2.072 -0.302 1.00 0.23 H new ATOM 0 HG22 VAL A 43 8.344 1.076 -1.071 1.00 0.23 H new ATOM 0 HG23 VAL A 43 8.035 2.796 -0.731 1.00 0.23 H new ATOM 690 N ILE A 44 5.350 -0.071 2.615 1.00 0.29 N ATOM 691 CA ILE A 44 4.792 -0.351 3.926 1.00 0.31 C ATOM 692 C ILE A 44 5.632 -1.391 4.653 1.00 0.34 C ATOM 693 O ILE A 44 5.786 -2.517 4.180 1.00 0.36 O ATOM 694 CB ILE A 44 3.338 -0.857 3.832 1.00 0.32 C ATOM 695 CG1 ILE A 44 2.538 -0.024 2.825 1.00 0.35 C ATOM 696 CG2 ILE A 44 2.674 -0.815 5.206 1.00 0.50 C ATOM 697 CD1 ILE A 44 1.263 -0.696 2.362 1.00 0.40 C ATOM 0 H ILE A 44 5.255 -0.833 1.943 1.00 0.29 H new ATOM 0 HA ILE A 44 4.799 0.586 4.482 1.00 0.31 H new ATOM 0 HB ILE A 44 3.354 -1.890 3.483 1.00 0.32 H new ATOM 0 HG12 ILE A 44 2.290 0.937 3.276 1.00 0.35 H new ATOM 0 HG13 ILE A 44 3.165 0.184 1.958 1.00 0.35 H new ATOM 0 HG21 ILE A 44 1.648 -1.175 5.126 1.00 0.50 H new ATOM 0 HG22 ILE A 44 3.228 -1.450 5.897 1.00 0.50 H new ATOM 0 HG23 ILE A 44 2.671 0.210 5.578 1.00 0.50 H new ATOM 0 HD11 ILE A 44 0.748 -0.050 1.651 1.00 0.40 H new ATOM 0 HD12 ILE A 44 1.505 -1.644 1.881 1.00 0.40 H new ATOM 0 HD13 ILE A 44 0.616 -0.879 3.220 1.00 0.40 H new ATOM 709 N PHE A 45 6.186 -1.003 5.790 1.00 0.37 N ATOM 710 CA PHE A 45 6.999 -1.903 6.592 1.00 0.42 C ATOM 711 C PHE A 45 6.445 -1.974 8.007 1.00 0.48 C ATOM 712 O PHE A 45 6.353 -0.954 8.690 1.00 0.50 O ATOM 713 CB PHE A 45 8.460 -1.438 6.619 1.00 0.44 C ATOM 714 CG PHE A 45 9.348 -2.299 7.477 1.00 0.48 C ATOM 715 CD1 PHE A 45 9.735 -3.559 7.051 1.00 0.48 C ATOM 716 CD2 PHE A 45 9.786 -1.850 8.712 1.00 0.64 C ATOM 717 CE1 PHE A 45 10.543 -4.355 7.839 1.00 0.51 C ATOM 718 CE2 PHE A 45 10.594 -2.642 9.504 1.00 0.70 C ATOM 719 CZ PHE A 45 10.972 -3.896 9.067 1.00 0.58 C ATOM 0 H PHE A 45 6.087 -0.066 6.180 1.00 0.37 H new ATOM 0 HA PHE A 45 6.966 -2.896 6.143 1.00 0.42 H new ATOM 0 HB2 PHE A 45 8.849 -1.430 5.601 1.00 0.44 H new ATOM 0 HB3 PHE A 45 8.500 -0.412 6.984 1.00 0.44 H new ATOM 0 HD1 PHE A 45 9.401 -3.923 6.091 1.00 0.48 H new ATOM 0 HD2 PHE A 45 9.493 -0.870 9.059 1.00 0.64 H new ATOM 0 HE1 PHE A 45 10.838 -5.335 7.494 1.00 0.51 H new ATOM 0 HE2 PHE A 45 10.930 -2.281 10.465 1.00 0.70 H new ATOM 0 HZ PHE A 45 11.603 -4.517 9.686 1.00 0.58 H new ATOM 729 N ALA A 46 6.054 -3.178 8.427 1.00 0.53 N ATOM 730 CA ALA A 46 5.500 -3.408 9.764 1.00 0.62 C ATOM 731 C ALA A 46 4.274 -2.534 10.022 1.00 0.59 C ATOM 732 O ALA A 46 4.021 -2.110 11.152 1.00 0.60 O ATOM 733 CB ALA A 46 6.562 -3.173 10.832 1.00 0.70 C ATOM 0 H ALA A 46 6.112 -4.019 7.853 1.00 0.53 H new ATOM 0 HA ALA A 46 5.179 -4.449 9.815 1.00 0.62 H new ATOM 0 HB1 ALA A 46 6.132 -3.349 11.818 1.00 0.70 H new ATOM 0 HB2 ALA A 46 7.396 -3.857 10.673 1.00 0.70 H new ATOM 0 HB3 ALA A 46 6.919 -2.145 10.770 1.00 0.70 H new ATOM 739 N GLY A 47 3.503 -2.284 8.971 1.00 0.57 N ATOM 740 CA GLY A 47 2.312 -1.463 9.099 1.00 0.56 C ATOM 741 C GLY A 47 2.626 0.024 9.141 1.00 0.53 C ATOM 742 O GLY A 47 1.797 0.828 9.561 1.00 0.58 O ATOM 0 H GLY A 47 3.681 -2.635 8.030 1.00 0.57 H new ATOM 0 HA2 GLY A 47 1.644 -1.666 8.262 1.00 0.56 H new ATOM 0 HA3 GLY A 47 1.778 -1.743 10.007 1.00 0.56 H new ATOM 746 N LYS A 48 3.822 0.377 8.711 1.00 0.49 N ATOM 747 CA LYS A 48 4.252 1.770 8.693 1.00 0.49 C ATOM 748 C LYS A 48 4.766 2.143 7.311 1.00 0.44 C ATOM 749 O LYS A 48 5.685 1.509 6.795 1.00 0.42 O ATOM 750 CB LYS A 48 5.347 2.015 9.734 1.00 0.54 C ATOM 751 CG LYS A 48 4.893 1.797 11.168 1.00 0.63 C ATOM 752 CD LYS A 48 6.014 2.062 12.160 1.00 0.71 C ATOM 753 CE LYS A 48 7.058 0.955 12.136 1.00 0.94 C ATOM 754 NZ LYS A 48 8.143 1.191 13.126 1.00 1.08 N ATOM 0 H LYS A 48 4.520 -0.283 8.367 1.00 0.49 H new ATOM 0 HA LYS A 48 3.392 2.394 8.938 1.00 0.49 H new ATOM 0 HB2 LYS A 48 6.188 1.354 9.525 1.00 0.54 H new ATOM 0 HB3 LYS A 48 5.712 3.037 9.630 1.00 0.54 H new ATOM 0 HG2 LYS A 48 4.051 2.454 11.387 1.00 0.63 H new ATOM 0 HG3 LYS A 48 4.538 0.773 11.285 1.00 0.63 H new ATOM 0 HD2 LYS A 48 6.489 3.015 11.927 1.00 0.71 H new ATOM 0 HD3 LYS A 48 5.599 2.149 13.164 1.00 0.71 H new ATOM 0 HE2 LYS A 48 6.578 -0.001 12.345 1.00 0.94 H new ATOM 0 HE3 LYS A 48 7.488 0.884 11.137 1.00 0.94 H new ATOM 0 HZ1 LYS A 48 8.967 1.605 12.646 1.00 1.08 H new ATOM 0 HZ2 LYS A 48 7.806 1.845 13.861 1.00 1.08 H new ATOM 0 HZ3 LYS A 48 8.415 0.288 13.565 1.00 1.08 H new ATOM 768 N GLU A 49 4.160 3.154 6.706 1.00 0.43 N ATOM 769 CA GLU A 49 4.585 3.605 5.393 1.00 0.40 C ATOM 770 C GLU A 49 5.820 4.486 5.523 1.00 0.40 C ATOM 771 O GLU A 49 5.795 5.515 6.203 1.00 0.48 O ATOM 772 CB GLU A 49 3.460 4.355 4.681 1.00 0.43 C ATOM 773 CG GLU A 49 2.473 3.434 3.982 1.00 0.90 C ATOM 774 CD GLU A 49 1.437 4.190 3.181 1.00 0.64 C ATOM 775 OE1 GLU A 49 1.794 5.207 2.557 1.00 1.15 O ATOM 776 OE2 GLU A 49 0.256 3.773 3.173 1.00 0.97 O ATOM 0 H GLU A 49 3.377 3.674 7.102 1.00 0.43 H new ATOM 0 HA GLU A 49 4.836 2.732 4.790 1.00 0.40 H new ATOM 0 HB2 GLU A 49 2.924 4.967 5.407 1.00 0.43 H new ATOM 0 HB3 GLU A 49 3.893 5.036 3.948 1.00 0.43 H new ATOM 0 HG2 GLU A 49 3.017 2.760 3.320 1.00 0.90 H new ATOM 0 HG3 GLU A 49 1.971 2.815 4.725 1.00 0.90 H new ATOM 783 N LEU A 50 6.897 4.067 4.881 1.00 0.34 N ATOM 784 CA LEU A 50 8.147 4.803 4.929 1.00 0.36 C ATOM 785 C LEU A 50 8.139 5.937 3.915 1.00 0.36 C ATOM 786 O LEU A 50 7.735 5.761 2.762 1.00 0.36 O ATOM 787 CB LEU A 50 9.327 3.858 4.690 1.00 0.35 C ATOM 788 CG LEU A 50 9.456 2.718 5.710 1.00 0.39 C ATOM 789 CD1 LEU A 50 10.584 1.773 5.323 1.00 0.42 C ATOM 790 CD2 LEU A 50 9.678 3.272 7.115 1.00 0.49 C ATOM 0 H LEU A 50 6.930 3.217 4.318 1.00 0.34 H new ATOM 0 HA LEU A 50 8.258 5.242 5.920 1.00 0.36 H new ATOM 0 HB2 LEU A 50 9.232 3.426 3.694 1.00 0.35 H new ATOM 0 HB3 LEU A 50 10.248 4.440 4.699 1.00 0.35 H new ATOM 0 HG LEU A 50 8.523 2.155 5.708 1.00 0.39 H new ATOM 0 HD11 LEU A 50 10.657 0.973 6.060 1.00 0.42 H new ATOM 0 HD12 LEU A 50 10.380 1.345 4.342 1.00 0.42 H new ATOM 0 HD13 LEU A 50 11.524 2.323 5.290 1.00 0.42 H new ATOM 0 HD21 LEU A 50 9.767 2.447 7.822 1.00 0.49 H new ATOM 0 HD22 LEU A 50 10.593 3.864 7.132 1.00 0.49 H new ATOM 0 HD23 LEU A 50 8.833 3.901 7.396 1.00 0.49 H new ATOM 802 N GLN A 51 8.578 7.104 4.362 1.00 0.40 N ATOM 803 CA GLN A 51 8.613 8.292 3.524 1.00 0.42 C ATOM 804 C GLN A 51 9.700 8.204 2.454 1.00 0.40 C ATOM 805 O GLN A 51 10.786 7.680 2.690 1.00 0.41 O ATOM 806 CB GLN A 51 8.836 9.530 4.385 1.00 0.51 C ATOM 807 CG GLN A 51 8.500 10.830 3.678 1.00 0.83 C ATOM 808 CD GLN A 51 9.427 11.954 4.076 1.00 1.30 C ATOM 809 OE1 GLN A 51 10.607 11.735 4.337 1.00 1.77 O ATOM 810 NE2 GLN A 51 8.899 13.161 4.123 1.00 1.81 N ATOM 0 H GLN A 51 8.919 7.254 5.312 1.00 0.40 H new ATOM 0 HA GLN A 51 7.651 8.364 3.016 1.00 0.42 H new ATOM 0 HB2 GLN A 51 8.229 9.449 5.287 1.00 0.51 H new ATOM 0 HB3 GLN A 51 9.878 9.558 4.703 1.00 0.51 H new ATOM 0 HG2 GLN A 51 8.556 10.680 2.600 1.00 0.83 H new ATOM 0 HG3 GLN A 51 7.472 11.111 3.908 1.00 0.83 H new ATOM 0 HE21 GLN A 51 7.913 13.296 3.898 1.00 1.81 H new ATOM 0 HE22 GLN A 51 9.476 13.960 4.385 1.00 1.81 H new ATOM 819 N ASN A 52 9.374 8.735 1.281 1.00 0.41 N ATOM 820 CA ASN A 52 10.269 8.762 0.120 1.00 0.45 C ATOM 821 C ASN A 52 11.686 9.244 0.455 1.00 0.44 C ATOM 822 O ASN A 52 12.666 8.702 -0.053 1.00 0.44 O ATOM 823 CB ASN A 52 9.675 9.692 -0.946 1.00 0.58 C ATOM 824 CG ASN A 52 9.786 9.130 -2.349 1.00 1.25 C ATOM 825 OD1 ASN A 52 9.654 7.927 -2.559 1.00 1.26 O ATOM 826 ND2 ASN A 52 10.017 9.998 -3.322 1.00 2.45 N ATOM 0 H ASN A 52 8.467 9.167 1.103 1.00 0.41 H new ATOM 0 HA ASN A 52 10.353 7.736 -0.239 1.00 0.45 H new ATOM 0 HB2 ASN A 52 8.626 9.876 -0.716 1.00 0.58 H new ATOM 0 HB3 ASN A 52 10.184 10.655 -0.905 1.00 0.58 H new ATOM 0 HD21 ASN A 52 10.091 9.675 -4.287 1.00 2.45 H new ATOM 0 HD22 ASN A 52 10.121 10.990 -3.107 1.00 2.45 H new ATOM 833 N HIS A 53 11.790 10.252 1.316 1.00 0.47 N ATOM 834 CA HIS A 53 13.088 10.835 1.669 1.00 0.53 C ATOM 835 C HIS A 53 13.775 10.115 2.830 1.00 0.52 C ATOM 836 O HIS A 53 14.825 10.559 3.301 1.00 0.59 O ATOM 837 CB HIS A 53 12.910 12.311 2.023 1.00 0.63 C ATOM 838 CG HIS A 53 14.064 13.180 1.621 1.00 0.98 C ATOM 839 ND1 HIS A 53 15.295 13.142 2.242 1.00 1.41 N ATOM 840 CD2 HIS A 53 14.164 14.118 0.654 1.00 1.72 C ATOM 841 CE1 HIS A 53 16.098 14.020 1.672 1.00 1.97 C ATOM 842 NE2 HIS A 53 15.437 14.626 0.704 1.00 2.13 N ATOM 0 H HIS A 53 10.994 10.685 1.784 1.00 0.47 H new ATOM 0 HA HIS A 53 13.731 10.722 0.796 1.00 0.53 H new ATOM 0 HB2 HIS A 53 12.005 12.682 1.543 1.00 0.63 H new ATOM 0 HB3 HIS A 53 12.759 12.400 3.099 1.00 0.63 H new ATOM 0 HD1 HIS A 53 15.545 12.531 3.020 1.00 1.41 H new ATOM 0 HD2 HIS A 53 13.384 14.414 -0.033 1.00 1.72 H new ATOM 0 HE1 HIS A 53 17.124 14.211 1.951 1.00 1.97 H new ATOM 851 N LEU A 54 13.205 9.020 3.294 1.00 0.48 N ATOM 852 CA LEU A 54 13.801 8.281 4.397 1.00 0.52 C ATOM 853 C LEU A 54 14.910 7.358 3.899 1.00 0.46 C ATOM 854 O LEU A 54 14.847 6.836 2.785 1.00 0.46 O ATOM 855 CB LEU A 54 12.745 7.470 5.153 1.00 0.55 C ATOM 856 CG LEU A 54 12.038 8.214 6.290 1.00 0.67 C ATOM 857 CD1 LEU A 54 11.004 7.323 6.956 1.00 0.71 C ATOM 858 CD2 LEU A 54 13.044 8.703 7.317 1.00 0.90 C ATOM 0 H LEU A 54 12.338 8.623 2.931 1.00 0.48 H new ATOM 0 HA LEU A 54 14.234 9.009 5.083 1.00 0.52 H new ATOM 0 HB2 LEU A 54 11.993 7.130 4.441 1.00 0.55 H new ATOM 0 HB3 LEU A 54 13.220 6.579 5.564 1.00 0.55 H new ATOM 0 HG LEU A 54 11.528 9.077 5.862 1.00 0.67 H new ATOM 0 HD11 LEU A 54 10.515 7.872 7.760 1.00 0.71 H new ATOM 0 HD12 LEU A 54 10.260 7.017 6.221 1.00 0.71 H new ATOM 0 HD13 LEU A 54 11.494 6.440 7.366 1.00 0.71 H new ATOM 0 HD21 LEU A 54 12.522 9.229 8.116 1.00 0.90 H new ATOM 0 HD22 LEU A 54 13.582 7.851 7.734 1.00 0.90 H new ATOM 0 HD23 LEU A 54 13.752 9.380 6.839 1.00 0.90 H new ATOM 870 N THR A 55 15.927 7.175 4.726 1.00 0.44 N ATOM 871 CA THR A 55 17.045 6.313 4.386 1.00 0.41 C ATOM 872 C THR A 55 16.979 5.018 5.185 1.00 0.39 C ATOM 873 O THR A 55 16.366 4.978 6.252 1.00 0.41 O ATOM 874 CB THR A 55 18.390 7.010 4.659 1.00 0.48 C ATOM 875 OG1 THR A 55 18.236 7.986 5.697 1.00 0.66 O ATOM 876 CG2 THR A 55 18.925 7.674 3.402 1.00 0.56 C ATOM 0 H THR A 55 16.000 7.616 5.643 1.00 0.44 H new ATOM 0 HA THR A 55 16.976 6.090 3.321 1.00 0.41 H new ATOM 0 HB THR A 55 19.106 6.253 4.978 1.00 0.48 H new ATOM 0 HG1 THR A 55 19.097 8.423 5.865 1.00 0.66 H new ATOM 0 HG21 THR A 55 19.876 8.159 3.623 1.00 0.56 H new ATOM 0 HG22 THR A 55 19.073 6.921 2.628 1.00 0.56 H new ATOM 0 HG23 THR A 55 18.211 8.419 3.052 1.00 0.56 H new ATOM 884 N VAL A 56 17.611 3.968 4.670 1.00 0.36 N ATOM 885 CA VAL A 56 17.622 2.666 5.334 1.00 0.36 C ATOM 886 C VAL A 56 18.122 2.778 6.774 1.00 0.39 C ATOM 887 O VAL A 56 17.476 2.292 7.700 1.00 0.42 O ATOM 888 CB VAL A 56 18.501 1.654 4.565 1.00 0.35 C ATOM 889 CG1 VAL A 56 18.562 0.318 5.297 1.00 0.41 C ATOM 890 CG2 VAL A 56 17.972 1.465 3.150 1.00 0.33 C ATOM 0 H VAL A 56 18.126 3.993 3.790 1.00 0.36 H new ATOM 0 HA VAL A 56 16.593 2.308 5.345 1.00 0.36 H new ATOM 0 HB VAL A 56 19.514 2.053 4.509 1.00 0.35 H new ATOM 0 HG11 VAL A 56 19.187 -0.377 4.735 1.00 0.41 H new ATOM 0 HG12 VAL A 56 18.987 0.466 6.290 1.00 0.41 H new ATOM 0 HG13 VAL A 56 17.556 -0.092 5.390 1.00 0.41 H new ATOM 0 HG21 VAL A 56 18.600 0.750 2.619 1.00 0.33 H new ATOM 0 HG22 VAL A 56 16.950 1.090 3.191 1.00 0.33 H new ATOM 0 HG23 VAL A 56 17.987 2.420 2.625 1.00 0.33 H new ATOM 900 N GLN A 57 19.252 3.458 6.954 1.00 0.39 N ATOM 901 CA GLN A 57 19.859 3.632 8.277 1.00 0.43 C ATOM 902 C GLN A 57 19.021 4.518 9.201 1.00 0.47 C ATOM 903 O GLN A 57 19.306 4.628 10.395 1.00 0.53 O ATOM 904 CB GLN A 57 21.259 4.230 8.129 1.00 0.47 C ATOM 905 CG GLN A 57 21.287 5.542 7.356 1.00 0.51 C ATOM 906 CD GLN A 57 22.694 6.076 7.153 1.00 0.71 C ATOM 907 OE1 GLN A 57 23.579 5.851 7.976 1.00 0.97 O ATOM 908 NE2 GLN A 57 22.912 6.788 6.058 1.00 0.82 N ATOM 0 H GLN A 57 19.771 3.901 6.196 1.00 0.39 H new ATOM 0 HA GLN A 57 19.913 2.645 8.736 1.00 0.43 H new ATOM 0 HB2 GLN A 57 21.681 4.394 9.121 1.00 0.47 H new ATOM 0 HB3 GLN A 57 21.901 3.508 7.625 1.00 0.47 H new ATOM 0 HG2 GLN A 57 20.815 5.396 6.384 1.00 0.51 H new ATOM 0 HG3 GLN A 57 20.695 6.285 7.890 1.00 0.51 H new ATOM 0 HE21 GLN A 57 22.152 6.954 5.398 1.00 0.82 H new ATOM 0 HE22 GLN A 57 23.840 7.171 5.875 1.00 0.82 H new ATOM 917 N ASN A 58 17.994 5.153 8.655 1.00 0.51 N ATOM 918 CA ASN A 58 17.137 6.029 9.447 1.00 0.57 C ATOM 919 C ASN A 58 15.800 5.352 9.738 1.00 0.54 C ATOM 920 O ASN A 58 14.986 5.861 10.505 1.00 0.61 O ATOM 921 CB ASN A 58 16.909 7.352 8.707 1.00 0.60 C ATOM 922 CG ASN A 58 16.480 8.477 9.630 1.00 0.87 C ATOM 923 OD1 ASN A 58 15.292 8.650 9.909 1.00 1.34 O ATOM 924 ND2 ASN A 58 17.438 9.263 10.095 1.00 1.33 N ATOM 0 H ASN A 58 17.733 5.080 7.672 1.00 0.51 H new ATOM 0 HA ASN A 58 17.634 6.234 10.395 1.00 0.57 H new ATOM 0 HB2 ASN A 58 17.827 7.639 8.195 1.00 0.60 H new ATOM 0 HB3 ASN A 58 16.148 7.207 7.940 1.00 0.60 H new ATOM 0 HD21 ASN A 58 17.204 10.045 10.707 1.00 1.33 H new ATOM 0 HD22 ASN A 58 18.410 9.087 9.841 1.00 1.33 H new ATOM 931 N CYS A 59 15.590 4.188 9.142 1.00 0.54 N ATOM 932 CA CYS A 59 14.347 3.456 9.326 1.00 0.55 C ATOM 933 C CYS A 59 14.580 2.163 10.090 1.00 0.58 C ATOM 934 O CYS A 59 15.708 1.844 10.467 1.00 0.65 O ATOM 935 CB CYS A 59 13.714 3.147 7.970 1.00 0.53 C ATOM 936 SG CYS A 59 13.491 4.598 6.918 1.00 0.68 S ATOM 0 H CYS A 59 16.264 3.731 8.528 1.00 0.54 H new ATOM 0 HA CYS A 59 13.671 4.082 9.908 1.00 0.55 H new ATOM 0 HB2 CYS A 59 14.337 2.423 7.446 1.00 0.53 H new ATOM 0 HB3 CYS A 59 12.745 2.675 8.132 1.00 0.53 H new ATOM 0 HG CYS A 59 14.617 4.891 6.339 1.00 0.68 H new ATOM 942 N ASP A 60 13.501 1.421 10.302 1.00 0.64 N ATOM 943 CA ASP A 60 13.555 0.145 11.012 1.00 0.69 C ATOM 944 C ASP A 60 13.987 -0.973 10.068 1.00 0.61 C ATOM 945 O ASP A 60 13.647 -2.138 10.269 1.00 0.79 O ATOM 946 CB ASP A 60 12.182 -0.199 11.596 1.00 0.87 C ATOM 947 CG ASP A 60 11.633 0.870 12.516 1.00 0.71 C ATOM 948 OD1 ASP A 60 12.193 1.060 13.611 1.00 1.31 O ATOM 949 OD2 ASP A 60 10.628 1.516 12.151 1.00 1.27 O ATOM 0 H ASP A 60 12.566 1.683 9.989 1.00 0.64 H new ATOM 0 HA ASP A 60 14.281 0.239 11.819 1.00 0.69 H new ATOM 0 HB2 ASP A 60 11.479 -0.361 10.779 1.00 0.87 H new ATOM 0 HB3 ASP A 60 12.254 -1.138 12.145 1.00 0.87 H new ATOM 954 N LEU A 61 14.766 -0.624 9.055 1.00 0.50 N ATOM 955 CA LEU A 61 15.220 -1.592 8.073 1.00 0.45 C ATOM 956 C LEU A 61 16.570 -2.167 8.469 1.00 0.46 C ATOM 957 O LEU A 61 17.529 -1.433 8.694 1.00 0.55 O ATOM 958 CB LEU A 61 15.325 -0.945 6.691 1.00 0.43 C ATOM 959 CG LEU A 61 13.994 -0.609 6.019 1.00 0.46 C ATOM 960 CD1 LEU A 61 14.228 0.244 4.785 1.00 0.47 C ATOM 961 CD2 LEU A 61 13.245 -1.882 5.648 1.00 0.64 C ATOM 0 H LEU A 61 15.097 0.327 8.893 1.00 0.50 H new ATOM 0 HA LEU A 61 14.489 -2.400 8.035 1.00 0.45 H new ATOM 0 HB2 LEU A 61 15.908 -0.028 6.781 1.00 0.43 H new ATOM 0 HB3 LEU A 61 15.883 -1.615 6.037 1.00 0.43 H new ATOM 0 HG LEU A 61 13.384 -0.044 6.724 1.00 0.46 H new ATOM 0 HD11 LEU A 61 13.272 0.476 4.316 1.00 0.47 H new ATOM 0 HD12 LEU A 61 14.726 1.170 5.072 1.00 0.47 H new ATOM 0 HD13 LEU A 61 14.855 -0.301 4.079 1.00 0.47 H new ATOM 0 HD21 LEU A 61 12.300 -1.622 5.171 1.00 0.64 H new ATOM 0 HD22 LEU A 61 13.849 -2.472 4.959 1.00 0.64 H new ATOM 0 HD23 LEU A 61 13.049 -2.464 6.548 1.00 0.64 H new ATOM 973 N GLU A 62 16.632 -3.479 8.554 1.00 0.49 N ATOM 974 CA GLU A 62 17.856 -4.164 8.911 1.00 0.51 C ATOM 975 C GLU A 62 18.147 -5.230 7.865 1.00 0.51 C ATOM 976 O GLU A 62 17.414 -5.348 6.881 1.00 0.49 O ATOM 977 CB GLU A 62 17.730 -4.794 10.301 1.00 0.57 C ATOM 978 CG GLU A 62 16.536 -5.722 10.451 1.00 0.73 C ATOM 979 CD GLU A 62 16.509 -6.412 11.795 1.00 0.94 C ATOM 980 OE1 GLU A 62 17.244 -7.408 11.970 1.00 1.36 O ATOM 981 OE2 GLU A 62 15.759 -5.967 12.687 1.00 1.59 O ATOM 0 H GLU A 62 15.840 -4.098 8.379 1.00 0.49 H new ATOM 0 HA GLU A 62 18.679 -3.450 8.940 1.00 0.51 H new ATOM 0 HB2 GLU A 62 18.641 -5.351 10.520 1.00 0.57 H new ATOM 0 HB3 GLU A 62 17.656 -4.000 11.044 1.00 0.57 H new ATOM 0 HG2 GLU A 62 15.617 -5.151 10.320 1.00 0.73 H new ATOM 0 HG3 GLU A 62 16.561 -6.472 9.661 1.00 0.73 H new ATOM 988 N GLN A 63 19.221 -5.982 8.053 1.00 0.54 N ATOM 989 CA GLN A 63 19.566 -7.043 7.117 1.00 0.55 C ATOM 990 C GLN A 63 18.435 -8.062 7.034 1.00 0.54 C ATOM 991 O GLN A 63 18.021 -8.616 8.053 1.00 0.56 O ATOM 992 CB GLN A 63 20.868 -7.721 7.548 1.00 0.60 C ATOM 993 CG GLN A 63 21.255 -8.927 6.698 1.00 0.65 C ATOM 994 CD GLN A 63 21.703 -8.558 5.294 1.00 0.63 C ATOM 995 OE1 GLN A 63 21.219 -7.590 4.701 1.00 0.74 O ATOM 996 NE2 GLN A 63 22.628 -9.328 4.752 1.00 0.95 N ATOM 0 H GLN A 63 19.864 -5.879 8.838 1.00 0.54 H new ATOM 0 HA GLN A 63 19.711 -6.608 6.128 1.00 0.55 H new ATOM 0 HB2 GLN A 63 21.675 -6.990 7.510 1.00 0.60 H new ATOM 0 HB3 GLN A 63 20.773 -8.038 8.587 1.00 0.60 H new ATOM 0 HG2 GLN A 63 22.058 -9.471 7.196 1.00 0.65 H new ATOM 0 HG3 GLN A 63 20.404 -9.605 6.633 1.00 0.65 H new ATOM 0 HE21 GLN A 63 23.003 -10.119 5.275 1.00 0.95 H new ATOM 0 HE22 GLN A 63 22.967 -9.132 3.810 1.00 0.95 H new ATOM 1005 N GLN A 64 17.926 -8.263 5.819 1.00 0.53 N ATOM 1006 CA GLN A 64 16.847 -9.214 5.553 1.00 0.54 C ATOM 1007 C GLN A 64 15.512 -8.734 6.122 1.00 0.54 C ATOM 1008 O GLN A 64 14.965 -9.325 7.054 1.00 0.75 O ATOM 1009 CB GLN A 64 17.199 -10.609 6.082 1.00 0.58 C ATOM 1010 CG GLN A 64 18.198 -11.344 5.206 1.00 0.63 C ATOM 1011 CD GLN A 64 18.718 -12.614 5.850 1.00 1.07 C ATOM 1012 OE1 GLN A 64 18.059 -13.217 6.697 1.00 1.59 O ATOM 1013 NE2 GLN A 64 19.901 -13.035 5.443 1.00 1.17 N ATOM 0 H GLN A 64 18.252 -7.769 4.988 1.00 0.53 H new ATOM 0 HA GLN A 64 16.734 -9.279 4.471 1.00 0.54 H new ATOM 0 HB2 GLN A 64 17.606 -10.517 7.089 1.00 0.58 H new ATOM 0 HB3 GLN A 64 16.288 -11.202 6.160 1.00 0.58 H new ATOM 0 HG2 GLN A 64 17.728 -11.591 4.254 1.00 0.63 H new ATOM 0 HG3 GLN A 64 19.037 -10.684 4.986 1.00 0.63 H new ATOM 0 HE21 GLN A 64 20.416 -12.506 4.739 1.00 1.17 H new ATOM 0 HE22 GLN A 64 20.300 -13.889 5.833 1.00 1.17 H new ATOM 1022 N SER A 65 15.008 -7.643 5.562 1.00 0.41 N ATOM 1023 CA SER A 65 13.723 -7.092 5.973 1.00 0.41 C ATOM 1024 C SER A 65 12.743 -7.177 4.807 1.00 0.37 C ATOM 1025 O SER A 65 13.134 -6.979 3.654 1.00 0.37 O ATOM 1026 CB SER A 65 13.870 -5.634 6.427 1.00 0.43 C ATOM 1027 OG SER A 65 14.826 -5.510 7.464 1.00 0.50 O ATOM 0 H SER A 65 15.471 -7.120 4.819 1.00 0.41 H new ATOM 0 HA SER A 65 13.347 -7.672 6.816 1.00 0.41 H new ATOM 0 HB2 SER A 65 14.167 -5.016 5.580 1.00 0.43 H new ATOM 0 HB3 SER A 65 12.906 -5.260 6.772 1.00 0.43 H new ATOM 0 HG SER A 65 15.719 -5.704 7.110 1.00 0.50 H new ATOM 1033 N ILE A 66 11.488 -7.493 5.091 1.00 0.38 N ATOM 1034 CA ILE A 66 10.484 -7.587 4.043 1.00 0.37 C ATOM 1035 C ILE A 66 9.611 -6.337 4.028 1.00 0.34 C ATOM 1036 O ILE A 66 9.128 -5.890 5.067 1.00 0.36 O ATOM 1037 CB ILE A 66 9.610 -8.859 4.186 1.00 0.44 C ATOM 1038 CG1 ILE A 66 8.628 -8.967 3.010 1.00 0.45 C ATOM 1039 CG2 ILE A 66 8.873 -8.875 5.522 1.00 0.52 C ATOM 1040 CD1 ILE A 66 7.843 -10.262 2.990 1.00 0.70 C ATOM 0 H ILE A 66 11.143 -7.687 6.031 1.00 0.38 H new ATOM 0 HA ILE A 66 11.012 -7.662 3.092 1.00 0.37 H new ATOM 0 HB ILE A 66 10.267 -9.729 4.165 1.00 0.44 H new ATOM 0 HG12 ILE A 66 7.931 -8.130 3.052 1.00 0.45 H new ATOM 0 HG13 ILE A 66 9.182 -8.874 2.076 1.00 0.45 H new ATOM 0 HG21 ILE A 66 8.268 -9.779 5.593 1.00 0.52 H new ATOM 0 HG22 ILE A 66 9.597 -8.857 6.337 1.00 0.52 H new ATOM 0 HG23 ILE A 66 8.227 -8.000 5.592 1.00 0.52 H new ATOM 0 HD11 ILE A 66 7.171 -10.267 2.132 1.00 0.70 H new ATOM 0 HD12 ILE A 66 8.532 -11.104 2.916 1.00 0.70 H new ATOM 0 HD13 ILE A 66 7.261 -10.349 3.908 1.00 0.70 H new ATOM 1052 N VAL A 67 9.428 -5.771 2.847 1.00 0.31 N ATOM 1053 CA VAL A 67 8.630 -4.567 2.694 1.00 0.29 C ATOM 1054 C VAL A 67 7.574 -4.762 1.618 1.00 0.28 C ATOM 1055 O VAL A 67 7.768 -5.529 0.674 1.00 0.29 O ATOM 1056 CB VAL A 67 9.496 -3.337 2.332 1.00 0.28 C ATOM 1057 CG1 VAL A 67 10.450 -2.995 3.466 1.00 0.31 C ATOM 1058 CG2 VAL A 67 10.271 -3.569 1.036 1.00 0.28 C ATOM 0 H VAL A 67 9.823 -6.128 1.977 1.00 0.31 H new ATOM 0 HA VAL A 67 8.153 -4.380 3.656 1.00 0.29 H new ATOM 0 HB VAL A 67 8.824 -2.493 2.178 1.00 0.28 H new ATOM 0 HG11 VAL A 67 11.048 -2.127 3.189 1.00 0.31 H new ATOM 0 HG12 VAL A 67 9.879 -2.769 4.366 1.00 0.31 H new ATOM 0 HG13 VAL A 67 11.108 -3.843 3.657 1.00 0.31 H new ATOM 0 HG21 VAL A 67 10.870 -2.688 0.808 1.00 0.28 H new ATOM 0 HG22 VAL A 67 10.926 -4.433 1.153 1.00 0.28 H new ATOM 0 HG23 VAL A 67 9.571 -3.753 0.221 1.00 0.28 H new ATOM 1068 N HIS A 68 6.460 -4.069 1.755 1.00 0.28 N ATOM 1069 CA HIS A 68 5.396 -4.168 0.777 1.00 0.29 C ATOM 1070 C HIS A 68 5.307 -2.873 -0.013 1.00 0.25 C ATOM 1071 O HIS A 68 4.925 -1.833 0.523 1.00 0.28 O ATOM 1072 CB HIS A 68 4.057 -4.480 1.447 1.00 0.37 C ATOM 1073 CG HIS A 68 3.086 -5.177 0.535 1.00 0.53 C ATOM 1074 ND1 HIS A 68 1.967 -5.846 0.973 1.00 1.15 N ATOM 1075 CD2 HIS A 68 3.095 -5.313 -0.818 1.00 0.78 C ATOM 1076 CE1 HIS A 68 1.346 -6.358 -0.097 1.00 1.11 C ATOM 1077 NE2 HIS A 68 1.990 -6.063 -1.209 1.00 0.79 N ATOM 0 H HIS A 68 6.269 -3.434 2.530 1.00 0.28 H new ATOM 0 HA HIS A 68 5.625 -4.989 0.097 1.00 0.29 H new ATOM 0 HB2 HIS A 68 4.233 -5.103 2.324 1.00 0.37 H new ATOM 0 HB3 HIS A 68 3.610 -3.551 1.801 1.00 0.37 H new ATOM 0 HD1 HIS A 68 1.664 -5.936 1.943 1.00 1.15 H new ATOM 0 HD2 HIS A 68 3.841 -4.904 -1.483 1.00 0.78 H new ATOM 0 HE1 HIS A 68 0.436 -6.937 -0.055 1.00 1.11 H new ATOM 1085 N ILE A 69 5.677 -2.946 -1.276 1.00 0.23 N ATOM 1086 CA ILE A 69 5.639 -1.795 -2.153 1.00 0.21 C ATOM 1087 C ILE A 69 4.477 -1.937 -3.115 1.00 0.23 C ATOM 1088 O ILE A 69 4.543 -2.696 -4.082 1.00 0.24 O ATOM 1089 CB ILE A 69 6.958 -1.626 -2.940 1.00 0.20 C ATOM 1090 CG1 ILE A 69 8.143 -1.543 -1.971 1.00 0.21 C ATOM 1091 CG2 ILE A 69 6.890 -0.387 -3.827 1.00 0.24 C ATOM 1092 CD1 ILE A 69 9.440 -1.093 -2.615 1.00 0.22 C ATOM 0 H ILE A 69 6.011 -3.801 -1.721 1.00 0.23 H new ATOM 0 HA ILE A 69 5.510 -0.904 -1.538 1.00 0.21 H new ATOM 0 HB ILE A 69 7.102 -2.495 -3.582 1.00 0.20 H new ATOM 0 HG12 ILE A 69 7.892 -0.853 -1.165 1.00 0.21 H new ATOM 0 HG13 ILE A 69 8.296 -2.522 -1.517 1.00 0.21 H new ATOM 0 HG21 ILE A 69 7.826 -0.280 -4.375 1.00 0.24 H new ATOM 0 HG22 ILE A 69 6.066 -0.489 -4.533 1.00 0.24 H new ATOM 0 HG23 ILE A 69 6.730 0.496 -3.208 1.00 0.24 H new ATOM 0 HD11 ILE A 69 10.228 -1.061 -1.862 1.00 0.22 H new ATOM 0 HD12 ILE A 69 9.718 -1.794 -3.402 1.00 0.22 H new ATOM 0 HD13 ILE A 69 9.308 -0.100 -3.045 1.00 0.22 H new ATOM 1104 N VAL A 70 3.399 -1.231 -2.829 1.00 0.31 N ATOM 1105 CA VAL A 70 2.210 -1.284 -3.660 1.00 0.36 C ATOM 1106 C VAL A 70 1.887 0.085 -4.231 1.00 0.36 C ATOM 1107 O VAL A 70 2.360 1.108 -3.727 1.00 0.35 O ATOM 1108 CB VAL A 70 0.981 -1.807 -2.884 1.00 0.42 C ATOM 1109 CG1 VAL A 70 0.780 -3.290 -3.144 1.00 0.44 C ATOM 1110 CG2 VAL A 70 1.121 -1.537 -1.391 1.00 0.46 C ATOM 0 H VAL A 70 3.322 -0.611 -2.023 1.00 0.31 H new ATOM 0 HA VAL A 70 2.429 -1.979 -4.470 1.00 0.36 H new ATOM 0 HB VAL A 70 0.102 -1.271 -3.241 1.00 0.42 H new ATOM 0 HG11 VAL A 70 -0.090 -3.642 -2.590 1.00 0.44 H new ATOM 0 HG12 VAL A 70 0.622 -3.454 -4.210 1.00 0.44 H new ATOM 0 HG13 VAL A 70 1.664 -3.839 -2.819 1.00 0.44 H new ATOM 0 HG21 VAL A 70 0.242 -1.915 -0.869 1.00 0.46 H new ATOM 0 HG22 VAL A 70 2.012 -2.038 -1.013 1.00 0.46 H new ATOM 0 HG23 VAL A 70 1.209 -0.464 -1.222 1.00 0.46 H new ATOM 1120 N GLN A 71 1.090 0.100 -5.287 1.00 0.40 N ATOM 1121 CA GLN A 71 0.698 1.340 -5.927 1.00 0.41 C ATOM 1122 C GLN A 71 -0.474 1.964 -5.183 1.00 0.42 C ATOM 1123 O GLN A 71 -1.478 1.300 -4.926 1.00 0.51 O ATOM 1124 CB GLN A 71 0.317 1.090 -7.394 1.00 0.49 C ATOM 1125 CG GLN A 71 -0.378 2.274 -8.057 1.00 0.56 C ATOM 1126 CD GLN A 71 -0.571 2.086 -9.550 1.00 0.70 C ATOM 1127 OE1 GLN A 71 0.210 1.403 -10.209 1.00 1.48 O ATOM 1128 NE2 GLN A 71 -1.612 2.695 -10.096 1.00 1.03 N ATOM 0 H GLN A 71 0.701 -0.738 -5.719 1.00 0.40 H new ATOM 0 HA GLN A 71 1.543 2.028 -5.899 1.00 0.41 H new ATOM 0 HB2 GLN A 71 1.218 0.847 -7.958 1.00 0.49 H new ATOM 0 HB3 GLN A 71 -0.337 0.220 -7.447 1.00 0.49 H new ATOM 0 HG2 GLN A 71 -1.349 2.428 -7.587 1.00 0.56 H new ATOM 0 HG3 GLN A 71 0.208 3.177 -7.882 1.00 0.56 H new ATOM 0 HE21 GLN A 71 -2.238 3.253 -9.516 1.00 1.03 H new ATOM 0 HE22 GLN A 71 -1.788 2.606 -11.097 1.00 1.03 H new ATOM 1137 N ARG A 72 -0.332 3.222 -4.809 1.00 0.41 N ATOM 1138 CA ARG A 72 -1.397 3.922 -4.118 1.00 0.46 C ATOM 1139 C ARG A 72 -1.980 4.976 -5.044 1.00 0.51 C ATOM 1140 O ARG A 72 -1.303 5.942 -5.398 1.00 0.70 O ATOM 1141 CB ARG A 72 -0.899 4.575 -2.827 1.00 0.63 C ATOM 1142 CG ARG A 72 -1.995 5.296 -2.052 1.00 0.75 C ATOM 1143 CD ARG A 72 -1.428 6.337 -1.103 1.00 0.81 C ATOM 1144 NE ARG A 72 -1.233 5.814 0.249 1.00 1.19 N ATOM 1145 CZ ARG A 72 -1.436 6.530 1.357 1.00 1.35 C ATOM 1146 NH1 ARG A 72 -1.872 7.785 1.273 1.00 1.56 N ATOM 1147 NH2 ARG A 72 -1.195 5.999 2.548 1.00 2.08 N ATOM 0 H ARG A 72 0.508 3.778 -4.972 1.00 0.41 H new ATOM 0 HA ARG A 72 -2.164 3.198 -3.843 1.00 0.46 H new ATOM 0 HB2 ARG A 72 -0.456 3.810 -2.189 1.00 0.63 H new ATOM 0 HB3 ARG A 72 -0.108 5.285 -3.069 1.00 0.63 H new ATOM 0 HG2 ARG A 72 -2.678 5.777 -2.752 1.00 0.75 H new ATOM 0 HG3 ARG A 72 -2.578 4.569 -1.487 1.00 0.75 H new ATOM 0 HD2 ARG A 72 -0.475 6.697 -1.491 1.00 0.81 H new ATOM 0 HD3 ARG A 72 -2.101 7.194 -1.064 1.00 0.81 H new ATOM 0 HE ARG A 72 -0.924 4.847 0.351 1.00 1.19 H new ATOM 0 HH11 ARG A 72 -2.052 8.202 0.360 1.00 1.56 H new ATOM 0 HH12 ARG A 72 -2.026 8.329 2.122 1.00 1.56 H new ATOM 0 HH21 ARG A 72 -0.853 5.041 2.619 1.00 2.08 H new ATOM 0 HH22 ARG A 72 -1.351 6.549 3.393 1.00 2.08 H new ATOM 1161 N PRO A 73 -3.236 4.794 -5.458 1.00 0.46 N ATOM 1162 CA PRO A 73 -3.904 5.724 -6.360 1.00 0.61 C ATOM 1163 C PRO A 73 -4.116 7.085 -5.714 1.00 0.62 C ATOM 1164 O PRO A 73 -4.619 7.180 -4.595 1.00 0.64 O ATOM 1165 CB PRO A 73 -5.248 5.050 -6.647 1.00 0.71 C ATOM 1166 CG PRO A 73 -5.475 4.149 -5.484 1.00 0.72 C ATOM 1167 CD PRO A 73 -4.112 3.681 -5.060 1.00 0.46 C ATOM 0 HA PRO A 73 -3.317 5.917 -7.258 1.00 0.61 H new ATOM 0 HB2 PRO A 73 -6.048 5.785 -6.741 1.00 0.71 H new ATOM 0 HB3 PRO A 73 -5.219 4.490 -7.582 1.00 0.71 H new ATOM 0 HG2 PRO A 73 -5.978 4.676 -4.673 1.00 0.72 H new ATOM 0 HG3 PRO A 73 -6.110 3.307 -5.759 1.00 0.72 H new ATOM 0 HD2 PRO A 73 -4.066 3.496 -3.987 1.00 0.46 H new ATOM 0 HD3 PRO A 73 -3.833 2.751 -5.556 1.00 0.46 H new ATOM 1175 N GLN A 74 -3.706 8.129 -6.405 1.00 0.71 N ATOM 1176 CA GLN A 74 -3.879 9.479 -5.909 1.00 0.81 C ATOM 1177 C GLN A 74 -5.057 10.110 -6.630 1.00 0.86 C ATOM 1178 O GLN A 74 -4.986 10.375 -7.832 1.00 0.95 O ATOM 1179 CB GLN A 74 -2.607 10.304 -6.124 1.00 0.95 C ATOM 1180 CG GLN A 74 -2.651 11.677 -5.464 1.00 1.57 C ATOM 1181 CD GLN A 74 -1.382 12.478 -5.682 1.00 2.27 C ATOM 1182 OE1 GLN A 74 -1.422 13.703 -5.802 1.00 2.66 O ATOM 1183 NE2 GLN A 74 -0.246 11.798 -5.726 1.00 3.14 N ATOM 0 H GLN A 74 -3.249 8.068 -7.315 1.00 0.71 H new ATOM 0 HA GLN A 74 -4.074 9.454 -4.837 1.00 0.81 H new ATOM 0 HB2 GLN A 74 -1.754 9.749 -5.733 1.00 0.95 H new ATOM 0 HB3 GLN A 74 -2.442 10.430 -7.194 1.00 0.95 H new ATOM 0 HG2 GLN A 74 -3.500 12.236 -5.857 1.00 1.57 H new ATOM 0 HG3 GLN A 74 -2.818 11.555 -4.394 1.00 1.57 H new ATOM 0 HE21 GLN A 74 -0.255 10.783 -5.622 1.00 3.14 H new ATOM 0 HE22 GLN A 74 0.637 12.289 -5.863 1.00 3.14 H new ATOM 1192 N ARG A 75 -6.146 10.327 -5.907 1.00 0.92 N ATOM 1193 CA ARG A 75 -7.339 10.910 -6.503 1.00 1.04 C ATOM 1194 C ARG A 75 -7.164 12.409 -6.697 1.00 1.31 C ATOM 1195 O ARG A 75 -7.499 13.207 -5.819 1.00 1.44 O ATOM 1196 CB ARG A 75 -8.565 10.625 -5.637 1.00 1.11 C ATOM 1197 CG ARG A 75 -9.878 10.920 -6.343 1.00 1.25 C ATOM 1198 CD ARG A 75 -10.910 9.831 -6.099 1.00 1.05 C ATOM 1199 NE ARG A 75 -11.408 9.268 -7.352 1.00 1.20 N ATOM 1200 CZ ARG A 75 -12.666 9.371 -7.777 1.00 1.45 C ATOM 1201 NH1 ARG A 75 -13.578 10.022 -7.053 1.00 1.77 N ATOM 1202 NH2 ARG A 75 -13.009 8.823 -8.936 1.00 1.93 N ATOM 0 H ARG A 75 -6.228 10.110 -4.914 1.00 0.92 H new ATOM 0 HA ARG A 75 -7.491 10.452 -7.480 1.00 1.04 H new ATOM 0 HB2 ARG A 75 -8.551 9.579 -5.332 1.00 1.11 H new ATOM 0 HB3 ARG A 75 -8.506 11.223 -4.728 1.00 1.11 H new ATOM 0 HG2 ARG A 75 -10.270 11.876 -5.996 1.00 1.25 H new ATOM 0 HG3 ARG A 75 -9.700 11.018 -7.414 1.00 1.25 H new ATOM 0 HD2 ARG A 75 -10.468 9.039 -5.495 1.00 1.05 H new ATOM 0 HD3 ARG A 75 -11.743 10.240 -5.527 1.00 1.05 H new ATOM 0 HE ARG A 75 -10.747 8.762 -7.941 1.00 1.20 H new ATOM 0 HH11 ARG A 75 -13.315 10.447 -6.164 1.00 1.77 H new ATOM 0 HH12 ARG A 75 -14.539 10.095 -7.388 1.00 1.77 H new ATOM 0 HH21 ARG A 75 -12.312 8.328 -9.492 1.00 1.93 H new ATOM 0 HH22 ARG A 75 -13.970 8.896 -9.270 1.00 1.93 H new ATOM 1216 N LYS A 76 -6.636 12.770 -7.856 1.00 1.64 N ATOM 1217 CA LYS A 76 -6.393 14.156 -8.214 1.00 2.04 C ATOM 1218 C LYS A 76 -6.561 14.318 -9.716 1.00 2.24 C ATOM 1219 O LYS A 76 -5.578 14.095 -10.454 1.00 2.46 O ATOM 1220 CB LYS A 76 -4.982 14.589 -7.788 1.00 2.53 C ATOM 1221 CG LYS A 76 -4.829 14.801 -6.290 1.00 2.96 C ATOM 1222 CD LYS A 76 -5.626 16.005 -5.813 1.00 3.69 C ATOM 1223 CE LYS A 76 -6.171 15.791 -4.406 1.00 4.33 C ATOM 1224 NZ LYS A 76 -6.907 16.980 -3.897 1.00 4.96 N ATOM 1225 OXT LYS A 76 -7.685 14.626 -10.155 1.00 2.68 O ATOM 0 H LYS A 76 -6.363 12.104 -8.579 1.00 1.64 H new ATOM 0 HA LYS A 76 -7.111 14.790 -7.694 1.00 2.04 H new ATOM 0 HB2 LYS A 76 -4.267 13.833 -8.113 1.00 2.53 H new ATOM 0 HB3 LYS A 76 -4.725 15.514 -8.304 1.00 2.53 H new ATOM 0 HG2 LYS A 76 -5.163 13.909 -5.759 1.00 2.96 H new ATOM 0 HG3 LYS A 76 -3.776 14.941 -6.047 1.00 2.96 H new ATOM 0 HD2 LYS A 76 -4.992 16.892 -5.828 1.00 3.69 H new ATOM 0 HD3 LYS A 76 -6.452 16.192 -6.500 1.00 3.69 H new ATOM 0 HE2 LYS A 76 -6.836 14.927 -4.404 1.00 4.33 H new ATOM 0 HE3 LYS A 76 -5.347 15.561 -3.731 1.00 4.33 H new ATOM 0 HZ1 LYS A 76 -7.258 16.786 -2.938 1.00 4.96 H new ATOM 0 HZ2 LYS A 76 -6.268 17.800 -3.873 1.00 4.96 H new ATOM 0 HZ3 LYS A 76 -7.710 17.186 -4.525 1.00 4.96 H new TER 1239 LYS A 76 ATOM 1240 N ASP B 291 -23.171 -13.233 3.369 1.00 1.03 N ATOM 1241 CA ASP B 291 -23.558 -12.726 2.027 1.00 0.72 C ATOM 1242 C ASP B 291 -23.239 -11.240 1.876 1.00 0.59 C ATOM 1243 O ASP B 291 -23.117 -10.740 0.758 1.00 0.61 O ATOM 1244 CB ASP B 291 -25.054 -12.947 1.783 1.00 1.14 C ATOM 1245 CG ASP B 291 -25.921 -12.128 2.720 1.00 1.63 C ATOM 1246 OD1 ASP B 291 -26.194 -12.604 3.841 1.00 1.81 O ATOM 1247 OD2 ASP B 291 -26.325 -11.007 2.346 1.00 2.21 O ATOM 0 HA ASP B 291 -22.979 -13.283 1.290 1.00 0.72 H new ATOM 0 HB2 ASP B 291 -25.293 -12.688 0.752 1.00 1.14 H new ATOM 0 HB3 ASP B 291 -25.287 -14.004 1.908 1.00 1.14 H new ATOM 1252 N GLN B 292 -23.103 -10.539 2.996 1.00 0.55 N ATOM 1253 CA GLN B 292 -22.813 -9.112 2.978 1.00 0.51 C ATOM 1254 C GLN B 292 -21.366 -8.853 2.555 1.00 0.43 C ATOM 1255 O GLN B 292 -20.432 -9.332 3.201 1.00 0.42 O ATOM 1256 CB GLN B 292 -23.074 -8.512 4.364 1.00 0.64 C ATOM 1257 CG GLN B 292 -22.832 -7.014 4.442 1.00 0.70 C ATOM 1258 CD GLN B 292 -23.686 -6.230 3.465 1.00 0.78 C ATOM 1259 OE1 GLN B 292 -24.805 -6.627 3.135 1.00 0.87 O ATOM 1260 NE2 GLN B 292 -23.161 -5.112 2.989 1.00 0.86 N ATOM 0 H GLN B 292 -23.190 -10.938 3.931 1.00 0.55 H new ATOM 0 HA GLN B 292 -23.469 -8.635 2.250 1.00 0.51 H new ATOM 0 HB2 GLN B 292 -24.105 -8.719 4.650 1.00 0.64 H new ATOM 0 HB3 GLN B 292 -22.435 -9.012 5.092 1.00 0.64 H new ATOM 0 HG2 GLN B 292 -23.038 -6.669 5.455 1.00 0.70 H new ATOM 0 HG3 GLN B 292 -21.780 -6.810 4.243 1.00 0.70 H new ATOM 0 HE21 GLN B 292 -22.231 -4.818 3.287 1.00 0.86 H new ATOM 0 HE22 GLN B 292 -23.686 -4.545 2.324 1.00 0.86 H new ATOM 1269 N PRO B 293 -21.167 -8.113 1.450 1.00 0.42 N ATOM 1270 CA PRO B 293 -19.831 -7.779 0.948 1.00 0.40 C ATOM 1271 C PRO B 293 -19.004 -7.017 1.983 1.00 0.36 C ATOM 1272 O PRO B 293 -19.414 -5.961 2.473 1.00 0.39 O ATOM 1273 CB PRO B 293 -20.106 -6.896 -0.275 1.00 0.47 C ATOM 1274 CG PRO B 293 -21.497 -7.230 -0.683 1.00 0.54 C ATOM 1275 CD PRO B 293 -22.226 -7.564 0.588 1.00 0.51 C ATOM 0 HA PRO B 293 -19.251 -8.672 0.714 1.00 0.40 H new ATOM 0 HB2 PRO B 293 -20.010 -5.839 -0.029 1.00 0.47 H new ATOM 0 HB3 PRO B 293 -19.398 -7.102 -1.078 1.00 0.47 H new ATOM 0 HG2 PRO B 293 -21.967 -6.390 -1.195 1.00 0.54 H new ATOM 0 HG3 PRO B 293 -21.510 -8.072 -1.375 1.00 0.54 H new ATOM 0 HD2 PRO B 293 -22.688 -6.682 1.031 1.00 0.51 H new ATOM 0 HD3 PRO B 293 -23.022 -8.289 0.417 1.00 0.51 H new ATOM 1283 N CYS B 294 -17.847 -7.562 2.323 1.00 0.34 N ATOM 1284 CA CYS B 294 -16.971 -6.940 3.305 1.00 0.31 C ATOM 1285 C CYS B 294 -15.507 -7.239 3.002 1.00 0.29 C ATOM 1286 O CYS B 294 -15.187 -8.244 2.352 1.00 0.33 O ATOM 1287 CB CYS B 294 -17.331 -7.429 4.711 1.00 0.35 C ATOM 1288 SG CYS B 294 -17.898 -9.146 4.770 1.00 0.45 S ATOM 0 H CYS B 294 -17.492 -8.435 1.933 1.00 0.34 H new ATOM 0 HA CYS B 294 -17.112 -5.860 3.254 1.00 0.31 H new ATOM 0 HB2 CYS B 294 -16.459 -7.323 5.356 1.00 0.35 H new ATOM 0 HB3 CYS B 294 -18.110 -6.786 5.120 1.00 0.35 H new ATOM 0 HG CYS B 294 -19.137 -9.207 4.381 1.00 0.45 H new ATOM 1294 N CYS B 295 -14.628 -6.359 3.456 1.00 0.27 N ATOM 1295 CA CYS B 295 -13.200 -6.523 3.244 1.00 0.28 C ATOM 1296 C CYS B 295 -12.436 -6.377 4.558 1.00 0.30 C ATOM 1297 O CYS B 295 -12.908 -5.736 5.498 1.00 0.31 O ATOM 1298 CB CYS B 295 -12.700 -5.504 2.219 1.00 0.27 C ATOM 1299 SG CYS B 295 -13.414 -3.854 2.411 1.00 0.63 S ATOM 0 H CYS B 295 -14.882 -5.519 3.977 1.00 0.27 H new ATOM 0 HA CYS B 295 -13.022 -7.527 2.858 1.00 0.28 H new ATOM 0 HB2 CYS B 295 -11.615 -5.430 2.295 1.00 0.27 H new ATOM 0 HB3 CYS B 295 -12.925 -5.871 1.218 1.00 0.27 H new ATOM 0 HG CYS B 295 -12.879 -3.046 1.544 1.00 0.63 H new ATOM 1305 N ARG B 296 -11.256 -6.978 4.609 1.00 0.33 N ATOM 1306 CA ARG B 296 -10.410 -6.937 5.793 1.00 0.37 C ATOM 1307 C ARG B 296 -9.245 -5.972 5.595 1.00 0.36 C ATOM 1308 O ARG B 296 -8.483 -6.096 4.636 1.00 0.38 O ATOM 1309 CB ARG B 296 -9.887 -8.346 6.093 1.00 0.43 C ATOM 1310 CG ARG B 296 -8.659 -8.384 6.991 1.00 0.54 C ATOM 1311 CD ARG B 296 -8.172 -9.809 7.198 1.00 0.63 C ATOM 1312 NE ARG B 296 -9.135 -10.610 7.959 1.00 0.76 N ATOM 1313 CZ ARG B 296 -9.711 -11.727 7.512 1.00 0.89 C ATOM 1314 NH1 ARG B 296 -9.388 -12.229 6.325 1.00 0.84 N ATOM 1315 NH2 ARG B 296 -10.608 -12.352 8.263 1.00 1.16 N ATOM 0 H ARG B 296 -10.859 -7.507 3.833 1.00 0.33 H new ATOM 0 HA ARG B 296 -11.001 -6.581 6.637 1.00 0.37 H new ATOM 0 HB2 ARG B 296 -10.683 -8.923 6.563 1.00 0.43 H new ATOM 0 HB3 ARG B 296 -9.648 -8.840 5.151 1.00 0.43 H new ATOM 0 HG2 ARG B 296 -7.863 -7.786 6.548 1.00 0.54 H new ATOM 0 HG3 ARG B 296 -8.897 -7.935 7.955 1.00 0.54 H new ATOM 0 HD2 ARG B 296 -7.996 -10.277 6.229 1.00 0.63 H new ATOM 0 HD3 ARG B 296 -7.217 -9.794 7.723 1.00 0.63 H new ATOM 0 HE ARG B 296 -9.382 -10.291 8.896 1.00 0.76 H new ATOM 0 HH11 ARG B 296 -8.693 -11.760 5.745 1.00 0.84 H new ATOM 0 HH12 ARG B 296 -9.835 -13.084 5.994 1.00 0.84 H new ATOM 0 HH21 ARG B 296 -10.855 -11.978 9.179 1.00 1.16 H new ATOM 0 HH22 ARG B 296 -11.050 -13.206 7.924 1.00 1.16 H new ATOM 1329 N ALA B 297 -9.114 -5.011 6.498 1.00 0.37 N ATOM 1330 CA ALA B 297 -8.034 -4.037 6.419 1.00 0.38 C ATOM 1331 C ALA B 297 -6.695 -4.679 6.769 1.00 0.41 C ATOM 1332 O ALA B 297 -6.466 -5.070 7.918 1.00 0.49 O ATOM 1333 CB ALA B 297 -8.312 -2.862 7.341 1.00 0.41 C ATOM 0 H ALA B 297 -9.741 -4.885 7.293 1.00 0.37 H new ATOM 0 HA ALA B 297 -7.980 -3.673 5.393 1.00 0.38 H new ATOM 0 HB1 ALA B 297 -7.496 -2.143 7.270 1.00 0.41 H new ATOM 0 HB2 ALA B 297 -9.245 -2.382 7.047 1.00 0.41 H new ATOM 0 HB3 ALA B 297 -8.395 -3.217 8.368 1.00 0.41 H new ATOM 1339 N LEU B 298 -5.823 -4.793 5.778 1.00 0.41 N ATOM 1340 CA LEU B 298 -4.507 -5.390 5.981 1.00 0.48 C ATOM 1341 C LEU B 298 -3.503 -4.346 6.447 1.00 0.45 C ATOM 1342 O LEU B 298 -2.522 -4.670 7.117 1.00 0.48 O ATOM 1343 CB LEU B 298 -4.000 -6.026 4.684 1.00 0.60 C ATOM 1344 CG LEU B 298 -4.739 -7.280 4.222 1.00 0.74 C ATOM 1345 CD1 LEU B 298 -4.212 -7.725 2.872 1.00 0.92 C ATOM 1346 CD2 LEU B 298 -4.586 -8.400 5.236 1.00 0.90 C ATOM 0 H LEU B 298 -6.001 -4.480 4.824 1.00 0.41 H new ATOM 0 HA LEU B 298 -4.608 -6.157 6.749 1.00 0.48 H new ATOM 0 HB2 LEU B 298 -4.057 -5.281 3.890 1.00 0.60 H new ATOM 0 HB3 LEU B 298 -2.947 -6.275 4.812 1.00 0.60 H new ATOM 0 HG LEU B 298 -5.799 -7.041 4.131 1.00 0.74 H new ATOM 0 HD11 LEU B 298 -4.745 -8.620 2.550 1.00 0.92 H new ATOM 0 HD12 LEU B 298 -4.364 -6.930 2.142 1.00 0.92 H new ATOM 0 HD13 LEU B 298 -3.148 -7.945 2.952 1.00 0.92 H new ATOM 0 HD21 LEU B 298 -5.120 -9.283 4.886 1.00 0.90 H new ATOM 0 HD22 LEU B 298 -3.530 -8.639 5.357 1.00 0.90 H new ATOM 0 HD23 LEU B 298 -4.998 -8.082 6.194 1.00 0.90 H new ATOM 1358 N TYR B 299 -3.755 -3.096 6.085 1.00 0.45 N ATOM 1359 CA TYR B 299 -2.871 -1.998 6.448 1.00 0.50 C ATOM 1360 C TYR B 299 -3.679 -0.795 6.904 1.00 0.51 C ATOM 1361 O TYR B 299 -4.872 -0.698 6.622 1.00 0.54 O ATOM 1362 CB TYR B 299 -1.980 -1.616 5.264 1.00 0.57 C ATOM 1363 CG TYR B 299 -1.083 -2.743 4.808 1.00 0.73 C ATOM 1364 CD1 TYR B 299 -0.007 -3.150 5.585 1.00 0.89 C ATOM 1365 CD2 TYR B 299 -1.319 -3.410 3.612 1.00 1.01 C ATOM 1366 CE1 TYR B 299 0.811 -4.186 5.184 1.00 1.20 C ATOM 1367 CE2 TYR B 299 -0.506 -4.451 3.206 1.00 1.30 C ATOM 1368 CZ TYR B 299 0.558 -4.833 3.995 1.00 1.37 C ATOM 1369 OH TYR B 299 1.366 -5.873 3.599 1.00 1.72 O ATOM 0 H TYR B 299 -4.569 -2.816 5.537 1.00 0.45 H new ATOM 0 HA TYR B 299 -2.237 -2.325 7.272 1.00 0.50 H new ATOM 0 HB2 TYR B 299 -2.609 -1.300 4.431 1.00 0.57 H new ATOM 0 HB3 TYR B 299 -1.365 -0.760 5.541 1.00 0.57 H new ATOM 0 HD1 TYR B 299 0.193 -2.647 6.519 1.00 0.89 H new ATOM 0 HD2 TYR B 299 -2.150 -3.110 2.991 1.00 1.01 H new ATOM 0 HE1 TYR B 299 1.646 -4.488 5.799 1.00 1.20 H new ATOM 0 HE2 TYR B 299 -0.703 -4.963 2.276 1.00 1.30 H new ATOM 0 HH TYR B 299 1.721 -6.331 4.389 1.00 1.72 H new ATOM 1379 N ASP B 300 -3.019 0.116 7.600 1.00 0.56 N ATOM 1380 CA ASP B 300 -3.664 1.321 8.101 1.00 0.58 C ATOM 1381 C ASP B 300 -3.741 2.375 7.009 1.00 0.56 C ATOM 1382 O ASP B 300 -2.765 2.612 6.292 1.00 0.62 O ATOM 1383 CB ASP B 300 -2.899 1.880 9.305 1.00 0.68 C ATOM 1384 CG ASP B 300 -3.019 0.995 10.528 1.00 0.95 C ATOM 1385 OD1 ASP B 300 -4.006 1.136 11.278 1.00 1.34 O ATOM 1386 OD2 ASP B 300 -2.125 0.154 10.749 1.00 1.71 O ATOM 0 H ASP B 300 -2.029 0.044 7.833 1.00 0.56 H new ATOM 0 HA ASP B 300 -4.675 1.060 8.415 1.00 0.58 H new ATOM 0 HB2 ASP B 300 -1.847 1.992 9.043 1.00 0.68 H new ATOM 0 HB3 ASP B 300 -3.276 2.875 9.542 1.00 0.68 H new ATOM 1391 N PHE B 301 -4.897 3.006 6.885 1.00 0.52 N ATOM 1392 CA PHE B 301 -5.093 4.032 5.876 1.00 0.51 C ATOM 1393 C PHE B 301 -5.661 5.294 6.505 1.00 0.52 C ATOM 1394 O PHE B 301 -6.763 5.288 7.054 1.00 0.55 O ATOM 1395 CB PHE B 301 -6.023 3.531 4.770 1.00 0.49 C ATOM 1396 CG PHE B 301 -6.135 4.472 3.602 1.00 0.49 C ATOM 1397 CD1 PHE B 301 -5.038 4.719 2.791 1.00 0.58 C ATOM 1398 CD2 PHE B 301 -7.332 5.108 3.315 1.00 0.47 C ATOM 1399 CE1 PHE B 301 -5.134 5.583 1.717 1.00 0.62 C ATOM 1400 CE2 PHE B 301 -7.435 5.973 2.242 1.00 0.49 C ATOM 1401 CZ PHE B 301 -6.334 6.212 1.442 1.00 0.55 C ATOM 0 H PHE B 301 -5.713 2.826 7.470 1.00 0.52 H new ATOM 0 HA PHE B 301 -4.124 4.265 5.435 1.00 0.51 H new ATOM 0 HB2 PHE B 301 -5.663 2.566 4.414 1.00 0.49 H new ATOM 0 HB3 PHE B 301 -7.016 3.366 5.189 1.00 0.49 H new ATOM 0 HD1 PHE B 301 -4.098 4.231 3.001 1.00 0.58 H new ATOM 0 HD2 PHE B 301 -8.195 4.926 3.938 1.00 0.47 H new ATOM 0 HE1 PHE B 301 -4.272 5.767 1.093 1.00 0.62 H new ATOM 0 HE2 PHE B 301 -8.374 6.461 2.029 1.00 0.49 H new ATOM 0 HZ PHE B 301 -6.411 6.889 0.604 1.00 0.55 H new ATOM 1411 N GLU B 302 -4.889 6.366 6.443 1.00 0.53 N ATOM 1412 CA GLU B 302 -5.306 7.647 6.988 1.00 0.57 C ATOM 1413 C GLU B 302 -5.785 8.557 5.862 1.00 0.55 C ATOM 1414 O GLU B 302 -5.098 8.702 4.852 1.00 0.57 O ATOM 1415 CB GLU B 302 -4.148 8.309 7.737 1.00 0.65 C ATOM 1416 CG GLU B 302 -3.750 7.591 9.017 1.00 0.84 C ATOM 1417 CD GLU B 302 -4.778 7.742 10.120 1.00 1.02 C ATOM 1418 OE1 GLU B 302 -4.973 8.878 10.606 1.00 1.29 O ATOM 1419 OE2 GLU B 302 -5.391 6.732 10.515 1.00 1.40 O ATOM 0 H GLU B 302 -3.962 6.374 6.017 1.00 0.53 H new ATOM 0 HA GLU B 302 -6.125 7.481 7.688 1.00 0.57 H new ATOM 0 HB2 GLU B 302 -3.283 8.359 7.076 1.00 0.65 H new ATOM 0 HB3 GLU B 302 -4.424 9.335 7.979 1.00 0.65 H new ATOM 0 HG2 GLU B 302 -3.606 6.532 8.804 1.00 0.84 H new ATOM 0 HG3 GLU B 302 -2.793 7.980 9.363 1.00 0.84 H new ATOM 1426 N PRO B 303 -6.974 9.163 6.010 1.00 0.54 N ATOM 1427 CA PRO B 303 -7.529 10.060 4.994 1.00 0.53 C ATOM 1428 C PRO B 303 -6.680 11.312 4.810 1.00 0.56 C ATOM 1429 O PRO B 303 -6.440 12.061 5.762 1.00 0.63 O ATOM 1430 CB PRO B 303 -8.912 10.437 5.541 1.00 0.55 C ATOM 1431 CG PRO B 303 -9.202 9.443 6.613 1.00 0.64 C ATOM 1432 CD PRO B 303 -7.871 9.025 7.167 1.00 0.54 C ATOM 0 HA PRO B 303 -7.566 9.581 4.015 1.00 0.53 H new ATOM 0 HB2 PRO B 303 -8.914 11.453 5.937 1.00 0.55 H new ATOM 0 HB3 PRO B 303 -9.668 10.399 4.756 1.00 0.55 H new ATOM 0 HG2 PRO B 303 -9.827 9.881 7.391 1.00 0.64 H new ATOM 0 HG3 PRO B 303 -9.744 8.586 6.213 1.00 0.64 H new ATOM 0 HD2 PRO B 303 -7.561 9.661 7.996 1.00 0.54 H new ATOM 0 HD3 PRO B 303 -7.893 8.001 7.541 1.00 0.54 H new ATOM 1440 N GLU B 304 -6.224 11.526 3.591 1.00 0.61 N ATOM 1441 CA GLU B 304 -5.416 12.687 3.267 1.00 0.68 C ATOM 1442 C GLU B 304 -6.258 13.702 2.510 1.00 0.67 C ATOM 1443 O GLU B 304 -5.974 14.900 2.523 1.00 0.71 O ATOM 1444 CB GLU B 304 -4.205 12.292 2.423 1.00 0.76 C ATOM 1445 CG GLU B 304 -3.208 11.409 3.149 1.00 0.99 C ATOM 1446 CD GLU B 304 -1.829 11.484 2.530 1.00 1.08 C ATOM 1447 OE1 GLU B 304 -1.550 10.732 1.570 1.00 1.12 O ATOM 1448 OE2 GLU B 304 -1.011 12.307 2.990 1.00 1.77 O ATOM 0 H GLU B 304 -6.401 10.905 2.802 1.00 0.61 H new ATOM 0 HA GLU B 304 -5.058 13.127 4.198 1.00 0.68 H new ATOM 0 HB2 GLU B 304 -4.552 11.772 1.530 1.00 0.76 H new ATOM 0 HB3 GLU B 304 -3.697 13.197 2.089 1.00 0.76 H new ATOM 0 HG2 GLU B 304 -3.153 11.709 4.195 1.00 0.99 H new ATOM 0 HG3 GLU B 304 -3.558 10.377 3.131 1.00 0.99 H new ATOM 1455 N ASN B 305 -7.293 13.209 1.847 1.00 0.64 N ATOM 1456 CA ASN B 305 -8.188 14.058 1.079 1.00 0.65 C ATOM 1457 C ASN B 305 -9.617 13.891 1.576 1.00 0.62 C ATOM 1458 O ASN B 305 -9.862 13.226 2.587 1.00 0.66 O ATOM 1459 CB ASN B 305 -8.116 13.710 -0.415 1.00 0.66 C ATOM 1460 CG ASN B 305 -6.707 13.790 -0.972 1.00 0.69 C ATOM 1461 OD1 ASN B 305 -6.243 14.860 -1.371 1.00 0.74 O ATOM 1462 ND2 ASN B 305 -6.021 12.655 -1.024 1.00 0.71 N ATOM 0 H ASN B 305 -7.534 12.218 1.826 1.00 0.64 H new ATOM 0 HA ASN B 305 -7.877 15.094 1.212 1.00 0.65 H new ATOM 0 HB2 ASN B 305 -8.505 12.703 -0.568 1.00 0.66 H new ATOM 0 HB3 ASN B 305 -8.761 14.389 -0.973 1.00 0.66 H new ATOM 0 HD21 ASN B 305 -5.075 12.648 -1.404 1.00 0.71 H new ATOM 0 HD22 ASN B 305 -6.440 11.790 -0.684 1.00 0.71 H new ATOM 1469 N GLU B 306 -10.556 14.498 0.871 1.00 0.65 N ATOM 1470 CA GLU B 306 -11.957 14.405 1.232 1.00 0.63 C ATOM 1471 C GLU B 306 -12.634 13.305 0.432 1.00 0.57 C ATOM 1472 O GLU B 306 -12.328 13.102 -0.742 1.00 0.62 O ATOM 1473 CB GLU B 306 -12.661 15.734 0.998 1.00 0.73 C ATOM 1474 CG GLU B 306 -12.354 16.774 2.059 1.00 0.89 C ATOM 1475 CD GLU B 306 -13.420 17.836 2.138 1.00 1.23 C ATOM 1476 OE1 GLU B 306 -14.605 17.475 2.315 1.00 2.04 O ATOM 1477 OE2 GLU B 306 -13.086 19.034 2.031 1.00 1.44 O ATOM 0 H GLU B 306 -10.371 15.063 0.042 1.00 0.65 H new ATOM 0 HA GLU B 306 -12.023 14.162 2.292 1.00 0.63 H new ATOM 0 HB2 GLU B 306 -12.370 16.124 0.023 1.00 0.73 H new ATOM 0 HB3 GLU B 306 -13.737 15.566 0.966 1.00 0.73 H new ATOM 0 HG2 GLU B 306 -12.258 16.285 3.028 1.00 0.89 H new ATOM 0 HG3 GLU B 306 -11.393 17.241 1.841 1.00 0.89 H new ATOM 1484 N GLY B 307 -13.545 12.594 1.077 1.00 0.52 N ATOM 1485 CA GLY B 307 -14.243 11.516 0.414 1.00 0.49 C ATOM 1486 C GLY B 307 -13.569 10.179 0.638 1.00 0.45 C ATOM 1487 O GLY B 307 -14.127 9.130 0.311 1.00 0.44 O ATOM 0 H GLY B 307 -13.813 12.745 2.049 1.00 0.52 H new ATOM 0 HA2 GLY B 307 -15.269 11.470 0.779 1.00 0.49 H new ATOM 0 HA3 GLY B 307 -14.294 11.721 -0.655 1.00 0.49 H new ATOM 1491 N GLU B 308 -12.369 10.218 1.196 1.00 0.45 N ATOM 1492 CA GLU B 308 -11.609 9.008 1.476 1.00 0.43 C ATOM 1493 C GLU B 308 -12.082 8.378 2.778 1.00 0.42 C ATOM 1494 O GLU B 308 -12.496 9.082 3.701 1.00 0.50 O ATOM 1495 CB GLU B 308 -10.117 9.327 1.577 1.00 0.44 C ATOM 1496 CG GLU B 308 -9.502 9.826 0.279 1.00 0.48 C ATOM 1497 CD GLU B 308 -8.057 10.251 0.450 1.00 0.54 C ATOM 1498 OE1 GLU B 308 -7.639 10.491 1.603 1.00 0.53 O ATOM 1499 OE2 GLU B 308 -7.343 10.366 -0.566 1.00 0.69 O ATOM 0 H GLU B 308 -11.897 11.081 1.466 1.00 0.45 H new ATOM 0 HA GLU B 308 -11.769 8.306 0.658 1.00 0.43 H new ATOM 0 HB2 GLU B 308 -9.969 10.080 2.351 1.00 0.44 H new ATOM 0 HB3 GLU B 308 -9.585 8.431 1.898 1.00 0.44 H new ATOM 0 HG2 GLU B 308 -9.560 9.039 -0.473 1.00 0.48 H new ATOM 0 HG3 GLU B 308 -10.084 10.668 -0.095 1.00 0.48 H new ATOM 1506 N LEU B 309 -12.037 7.059 2.849 1.00 0.35 N ATOM 1507 CA LEU B 309 -12.457 6.358 4.049 1.00 0.35 C ATOM 1508 C LEU B 309 -11.245 5.876 4.836 1.00 0.36 C ATOM 1509 O LEU B 309 -10.446 5.079 4.342 1.00 0.35 O ATOM 1510 CB LEU B 309 -13.358 5.176 3.687 1.00 0.33 C ATOM 1511 CG LEU B 309 -13.990 4.447 4.874 1.00 0.33 C ATOM 1512 CD1 LEU B 309 -14.904 5.374 5.651 1.00 0.36 C ATOM 1513 CD2 LEU B 309 -14.757 3.229 4.395 1.00 0.33 C ATOM 0 H LEU B 309 -11.715 6.454 2.093 1.00 0.35 H new ATOM 0 HA LEU B 309 -13.023 7.050 4.673 1.00 0.35 H new ATOM 0 HB2 LEU B 309 -14.155 5.534 3.036 1.00 0.33 H new ATOM 0 HB3 LEU B 309 -12.774 4.459 3.111 1.00 0.33 H new ATOM 0 HG LEU B 309 -13.191 4.119 5.539 1.00 0.33 H new ATOM 0 HD11 LEU B 309 -15.342 4.834 6.490 1.00 0.36 H new ATOM 0 HD12 LEU B 309 -14.330 6.222 6.025 1.00 0.36 H new ATOM 0 HD13 LEU B 309 -15.698 5.734 4.997 1.00 0.36 H new ATOM 0 HD21 LEU B 309 -15.202 2.720 5.250 1.00 0.33 H new ATOM 0 HD22 LEU B 309 -15.544 3.541 3.709 1.00 0.33 H new ATOM 0 HD23 LEU B 309 -14.077 2.550 3.881 1.00 0.33 H new ATOM 1525 N GLY B 310 -11.106 6.376 6.054 1.00 0.41 N ATOM 1526 CA GLY B 310 -9.996 5.982 6.893 1.00 0.44 C ATOM 1527 C GLY B 310 -10.321 4.775 7.747 1.00 0.43 C ATOM 1528 O GLY B 310 -11.435 4.649 8.262 1.00 0.43 O ATOM 0 H GLY B 310 -11.745 7.050 6.477 1.00 0.41 H new ATOM 0 HA2 GLY B 310 -9.132 5.759 6.267 1.00 0.44 H new ATOM 0 HA3 GLY B 310 -9.717 6.816 7.537 1.00 0.44 H new ATOM 1532 N PHE B 311 -9.348 3.892 7.903 1.00 0.44 N ATOM 1533 CA PHE B 311 -9.528 2.683 8.692 1.00 0.44 C ATOM 1534 C PHE B 311 -8.194 2.209 9.240 1.00 0.47 C ATOM 1535 O PHE B 311 -7.133 2.593 8.736 1.00 0.52 O ATOM 1536 CB PHE B 311 -10.179 1.583 7.842 1.00 0.42 C ATOM 1537 CG PHE B 311 -9.481 1.331 6.536 1.00 0.40 C ATOM 1538 CD1 PHE B 311 -8.437 0.426 6.455 1.00 0.43 C ATOM 1539 CD2 PHE B 311 -9.876 1.996 5.387 1.00 0.39 C ATOM 1540 CE1 PHE B 311 -7.799 0.188 5.255 1.00 0.43 C ATOM 1541 CE2 PHE B 311 -9.241 1.765 4.184 1.00 0.41 C ATOM 1542 CZ PHE B 311 -8.202 0.859 4.116 1.00 0.41 C ATOM 0 H PHE B 311 -8.420 3.991 7.491 1.00 0.44 H new ATOM 0 HA PHE B 311 -10.187 2.909 9.530 1.00 0.44 H new ATOM 0 HB2 PHE B 311 -10.199 0.657 8.417 1.00 0.42 H new ATOM 0 HB3 PHE B 311 -11.215 1.857 7.642 1.00 0.42 H new ATOM 0 HD1 PHE B 311 -8.118 -0.101 7.342 1.00 0.43 H new ATOM 0 HD2 PHE B 311 -10.691 2.704 5.433 1.00 0.39 H new ATOM 0 HE1 PHE B 311 -6.986 -0.521 5.206 1.00 0.43 H new ATOM 0 HE2 PHE B 311 -9.557 2.293 3.296 1.00 0.41 H new ATOM 0 HZ PHE B 311 -7.705 0.675 3.175 1.00 0.41 H new ATOM 1552 N LYS B 312 -8.253 1.375 10.263 1.00 0.47 N ATOM 1553 CA LYS B 312 -7.054 0.851 10.889 1.00 0.50 C ATOM 1554 C LYS B 312 -6.881 -0.618 10.540 1.00 0.49 C ATOM 1555 O LYS B 312 -7.833 -1.280 10.117 1.00 0.48 O ATOM 1556 CB LYS B 312 -7.124 1.011 12.412 1.00 0.56 C ATOM 1557 CG LYS B 312 -7.725 2.331 12.867 1.00 0.68 C ATOM 1558 CD LYS B 312 -6.809 3.507 12.579 1.00 0.79 C ATOM 1559 CE LYS B 312 -7.520 4.817 12.849 1.00 1.06 C ATOM 1560 NZ LYS B 312 -6.605 5.982 12.751 1.00 1.16 N ATOM 0 H LYS B 312 -9.124 1.045 10.679 1.00 0.47 H new ATOM 0 HA LYS B 312 -6.200 1.415 10.515 1.00 0.50 H new ATOM 0 HB2 LYS B 312 -7.713 0.193 12.826 1.00 0.56 H new ATOM 0 HB3 LYS B 312 -6.119 0.920 12.823 1.00 0.56 H new ATOM 0 HG2 LYS B 312 -8.680 2.485 12.366 1.00 0.68 H new ATOM 0 HG3 LYS B 312 -7.930 2.286 13.937 1.00 0.68 H new ATOM 0 HD2 LYS B 312 -5.915 3.438 13.198 1.00 0.79 H new ATOM 0 HD3 LYS B 312 -6.481 3.473 11.540 1.00 0.79 H new ATOM 0 HE2 LYS B 312 -8.337 4.938 12.138 1.00 1.06 H new ATOM 0 HE3 LYS B 312 -7.965 4.789 13.844 1.00 1.06 H new ATOM 0 HZ1 LYS B 312 -7.093 6.836 13.090 1.00 1.16 H new ATOM 0 HZ2 LYS B 312 -5.761 5.811 13.334 1.00 1.16 H new ATOM 0 HZ3 LYS B 312 -6.319 6.117 11.760 1.00 1.16 H new ATOM 1574 N GLU B 313 -5.669 -1.119 10.711 1.00 0.52 N ATOM 1575 CA GLU B 313 -5.367 -2.511 10.421 1.00 0.52 C ATOM 1576 C GLU B 313 -6.217 -3.431 11.294 1.00 0.52 C ATOM 1577 O GLU B 313 -6.134 -3.387 12.525 1.00 0.58 O ATOM 1578 CB GLU B 313 -3.879 -2.780 10.649 1.00 0.57 C ATOM 1579 CG GLU B 313 -3.409 -4.131 10.135 1.00 0.62 C ATOM 1580 CD GLU B 313 -3.083 -5.103 11.250 1.00 0.91 C ATOM 1581 OE1 GLU B 313 -4.007 -5.788 11.737 1.00 1.64 O ATOM 1582 OE2 GLU B 313 -1.902 -5.189 11.641 1.00 1.28 O ATOM 0 H GLU B 313 -4.874 -0.579 11.051 1.00 0.52 H new ATOM 0 HA GLU B 313 -5.604 -2.714 9.377 1.00 0.52 H new ATOM 0 HB2 GLU B 313 -3.300 -1.996 10.162 1.00 0.57 H new ATOM 0 HB3 GLU B 313 -3.668 -2.715 11.716 1.00 0.57 H new ATOM 0 HG2 GLU B 313 -4.182 -4.561 9.499 1.00 0.62 H new ATOM 0 HG3 GLU B 313 -2.526 -3.990 9.512 1.00 0.62 H new ATOM 1589 N GLY B 314 -7.042 -4.246 10.652 1.00 0.50 N ATOM 1590 CA GLY B 314 -7.894 -5.165 11.377 1.00 0.53 C ATOM 1591 C GLY B 314 -9.368 -4.844 11.228 1.00 0.50 C ATOM 1592 O GLY B 314 -10.223 -5.694 11.489 1.00 0.56 O ATOM 0 H GLY B 314 -7.136 -4.287 9.637 1.00 0.50 H new ATOM 0 HA2 GLY B 314 -7.710 -6.179 11.023 1.00 0.53 H new ATOM 0 HA3 GLY B 314 -7.627 -5.143 12.434 1.00 0.53 H new ATOM 1596 N ASP B 315 -9.671 -3.620 10.808 1.00 0.47 N ATOM 1597 CA ASP B 315 -11.055 -3.187 10.630 1.00 0.45 C ATOM 1598 C ASP B 315 -11.726 -3.892 9.461 1.00 0.40 C ATOM 1599 O ASP B 315 -11.105 -4.130 8.422 1.00 0.41 O ATOM 1600 CB ASP B 315 -11.116 -1.678 10.377 1.00 0.46 C ATOM 1601 CG ASP B 315 -11.043 -0.849 11.640 1.00 0.70 C ATOM 1602 OD1 ASP B 315 -11.532 -1.308 12.696 1.00 1.03 O ATOM 1603 OD2 ASP B 315 -10.495 0.274 11.585 1.00 0.89 O ATOM 0 H ASP B 315 -8.976 -2.908 10.584 1.00 0.47 H new ATOM 0 HA ASP B 315 -11.583 -3.442 11.549 1.00 0.45 H new ATOM 0 HB2 ASP B 315 -10.295 -1.395 9.719 1.00 0.46 H new ATOM 0 HB3 ASP B 315 -12.042 -1.443 9.851 1.00 0.46 H new ATOM 1608 N ILE B 316 -12.992 -4.241 9.637 1.00 0.39 N ATOM 1609 CA ILE B 316 -13.763 -4.865 8.578 1.00 0.37 C ATOM 1610 C ILE B 316 -14.635 -3.797 7.933 1.00 0.33 C ATOM 1611 O ILE B 316 -15.506 -3.221 8.585 1.00 0.34 O ATOM 1612 CB ILE B 316 -14.647 -6.026 9.101 1.00 0.41 C ATOM 1613 CG1 ILE B 316 -13.774 -7.161 9.642 1.00 0.47 C ATOM 1614 CG2 ILE B 316 -15.576 -6.541 8.009 1.00 0.42 C ATOM 1615 CD1 ILE B 316 -12.886 -7.810 8.602 1.00 0.52 C ATOM 0 H ILE B 316 -13.506 -4.101 10.507 1.00 0.39 H new ATOM 0 HA ILE B 316 -13.073 -5.296 7.853 1.00 0.37 H new ATOM 0 HB ILE B 316 -15.263 -5.642 9.914 1.00 0.41 H new ATOM 0 HG12 ILE B 316 -13.149 -6.772 10.446 1.00 0.47 H new ATOM 0 HG13 ILE B 316 -14.419 -7.923 10.080 1.00 0.47 H new ATOM 0 HG21 ILE B 316 -16.185 -7.355 8.403 1.00 0.42 H new ATOM 0 HG22 ILE B 316 -16.225 -5.733 7.672 1.00 0.42 H new ATOM 0 HG23 ILE B 316 -14.984 -6.904 7.169 1.00 0.42 H new ATOM 0 HD11 ILE B 316 -12.301 -8.603 9.067 1.00 0.52 H new ATOM 0 HD12 ILE B 316 -13.503 -8.232 7.809 1.00 0.52 H new ATOM 0 HD13 ILE B 316 -12.214 -7.063 8.180 1.00 0.52 H new ATOM 1627 N ILE B 317 -14.392 -3.522 6.663 1.00 0.28 N ATOM 1628 CA ILE B 317 -15.128 -2.486 5.959 1.00 0.25 C ATOM 1629 C ILE B 317 -16.262 -3.072 5.127 1.00 0.27 C ATOM 1630 O ILE B 317 -16.122 -4.144 4.535 1.00 0.31 O ATOM 1631 CB ILE B 317 -14.193 -1.675 5.044 1.00 0.24 C ATOM 1632 CG1 ILE B 317 -12.906 -1.313 5.793 1.00 0.28 C ATOM 1633 CG2 ILE B 317 -14.890 -0.412 4.545 1.00 0.24 C ATOM 1634 CD1 ILE B 317 -11.706 -1.167 4.889 1.00 0.54 C ATOM 0 H ILE B 317 -13.691 -4.002 6.098 1.00 0.28 H new ATOM 0 HA ILE B 317 -15.555 -1.828 6.716 1.00 0.25 H new ATOM 0 HB ILE B 317 -13.937 -2.288 4.180 1.00 0.24 H new ATOM 0 HG12 ILE B 317 -13.060 -0.379 6.334 1.00 0.28 H new ATOM 0 HG13 ILE B 317 -12.699 -2.082 6.537 1.00 0.28 H new ATOM 0 HG21 ILE B 317 -14.212 0.147 3.900 1.00 0.24 H new ATOM 0 HG22 ILE B 317 -15.782 -0.687 3.982 1.00 0.24 H new ATOM 0 HG23 ILE B 317 -15.174 0.207 5.396 1.00 0.24 H new ATOM 0 HD11 ILE B 317 -10.830 -0.910 5.485 1.00 0.54 H new ATOM 0 HD12 ILE B 317 -11.527 -2.107 4.367 1.00 0.54 H new ATOM 0 HD13 ILE B 317 -11.893 -0.378 4.161 1.00 0.54 H new ATOM 1646 N THR B 318 -17.381 -2.363 5.096 1.00 0.26 N ATOM 1647 CA THR B 318 -18.545 -2.784 4.337 1.00 0.29 C ATOM 1648 C THR B 318 -18.413 -2.357 2.876 1.00 0.28 C ATOM 1649 O THR B 318 -18.622 -1.193 2.542 1.00 0.34 O ATOM 1650 CB THR B 318 -19.833 -2.181 4.932 1.00 0.32 C ATOM 1651 OG1 THR B 318 -19.770 -2.232 6.364 1.00 0.47 O ATOM 1652 CG2 THR B 318 -21.069 -2.925 4.446 1.00 0.45 C ATOM 0 H THR B 318 -17.506 -1.482 5.595 1.00 0.26 H new ATOM 0 HA THR B 318 -18.605 -3.871 4.391 1.00 0.29 H new ATOM 0 HB THR B 318 -19.909 -1.145 4.600 1.00 0.32 H new ATOM 0 HG1 THR B 318 -19.229 -1.485 6.694 1.00 0.47 H new ATOM 0 HG21 THR B 318 -21.960 -2.475 4.884 1.00 0.45 H new ATOM 0 HG22 THR B 318 -21.127 -2.863 3.359 1.00 0.45 H new ATOM 0 HG23 THR B 318 -21.006 -3.971 4.746 1.00 0.45 H new ATOM 1660 N LEU B 319 -18.036 -3.301 2.028 1.00 0.31 N ATOM 1661 CA LEU B 319 -17.859 -3.040 0.605 1.00 0.30 C ATOM 1662 C LEU B 319 -19.212 -2.790 -0.056 1.00 0.32 C ATOM 1663 O LEU B 319 -20.111 -3.634 0.015 1.00 0.38 O ATOM 1664 CB LEU B 319 -17.151 -4.233 -0.044 1.00 0.35 C ATOM 1665 CG LEU B 319 -16.170 -3.890 -1.168 1.00 0.49 C ATOM 1666 CD1 LEU B 319 -15.202 -2.800 -0.733 1.00 0.76 C ATOM 1667 CD2 LEU B 319 -15.415 -5.139 -1.596 1.00 0.67 C ATOM 0 H LEU B 319 -17.845 -4.265 2.303 1.00 0.31 H new ATOM 0 HA LEU B 319 -17.247 -2.148 0.471 1.00 0.30 H new ATOM 0 HB2 LEU B 319 -16.611 -4.778 0.731 1.00 0.35 H new ATOM 0 HB3 LEU B 319 -17.908 -4.910 -0.441 1.00 0.35 H new ATOM 0 HG LEU B 319 -16.736 -3.511 -2.019 1.00 0.49 H new ATOM 0 HD11 LEU B 319 -14.516 -2.575 -1.550 1.00 0.76 H new ATOM 0 HD12 LEU B 319 -15.760 -1.901 -0.470 1.00 0.76 H new ATOM 0 HD13 LEU B 319 -14.635 -3.141 0.133 1.00 0.76 H new ATOM 0 HD21 LEU B 319 -14.719 -4.887 -2.396 1.00 0.67 H new ATOM 0 HD22 LEU B 319 -14.862 -5.539 -0.746 1.00 0.67 H new ATOM 0 HD23 LEU B 319 -16.123 -5.887 -1.953 1.00 0.67 H new ATOM 1679 N THR B 320 -19.369 -1.633 -0.686 1.00 0.32 N ATOM 1680 CA THR B 320 -20.637 -1.304 -1.319 1.00 0.39 C ATOM 1681 C THR B 320 -20.539 -1.150 -2.836 1.00 0.35 C ATOM 1682 O THR B 320 -21.461 -1.538 -3.558 1.00 0.40 O ATOM 1683 CB THR B 320 -21.219 -0.005 -0.731 1.00 0.49 C ATOM 1684 OG1 THR B 320 -20.161 0.925 -0.441 1.00 0.83 O ATOM 1685 CG2 THR B 320 -22.009 -0.289 0.540 1.00 0.97 C ATOM 0 H THR B 320 -18.647 -0.918 -0.771 1.00 0.32 H new ATOM 0 HA THR B 320 -21.293 -2.149 -1.112 1.00 0.39 H new ATOM 0 HB THR B 320 -21.892 0.428 -1.471 1.00 0.49 H new ATOM 0 HG1 THR B 320 -20.192 1.666 -1.082 1.00 0.83 H new ATOM 0 HG21 THR B 320 -22.410 0.644 0.936 1.00 0.97 H new ATOM 0 HG22 THR B 320 -22.830 -0.969 0.314 1.00 0.97 H new ATOM 0 HG23 THR B 320 -21.353 -0.746 1.281 1.00 0.97 H new ATOM 1693 N ASN B 321 -19.433 -0.604 -3.326 1.00 0.34 N ATOM 1694 CA ASN B 321 -19.285 -0.363 -4.760 1.00 0.37 C ATOM 1695 C ASN B 321 -17.809 -0.191 -5.138 1.00 0.34 C ATOM 1696 O ASN B 321 -16.946 -0.123 -4.266 1.00 0.30 O ATOM 1697 CB ASN B 321 -20.102 0.899 -5.102 1.00 0.45 C ATOM 1698 CG ASN B 321 -19.959 1.388 -6.528 1.00 0.57 C ATOM 1699 OD1 ASN B 321 -19.963 0.605 -7.479 1.00 0.71 O ATOM 1700 ND2 ASN B 321 -19.833 2.696 -6.681 1.00 0.70 N ATOM 0 H ASN B 321 -18.632 -0.322 -2.761 1.00 0.34 H new ATOM 0 HA ASN B 321 -19.654 -1.215 -5.331 1.00 0.37 H new ATOM 0 HB2 ASN B 321 -21.155 0.695 -4.908 1.00 0.45 H new ATOM 0 HB3 ASN B 321 -19.803 1.701 -4.427 1.00 0.45 H new ATOM 0 HD21 ASN B 321 -19.734 3.093 -7.615 1.00 0.70 H new ATOM 0 HD22 ASN B 321 -19.835 3.307 -5.865 1.00 0.70 H new ATOM 1707 N GLN B 322 -17.521 -0.146 -6.434 1.00 0.45 N ATOM 1708 CA GLN B 322 -16.160 0.032 -6.914 1.00 0.44 C ATOM 1709 C GLN B 322 -16.095 1.272 -7.797 1.00 0.45 C ATOM 1710 O GLN B 322 -17.015 1.533 -8.571 1.00 0.52 O ATOM 1711 CB GLN B 322 -15.689 -1.201 -7.691 1.00 0.47 C ATOM 1712 CG GLN B 322 -14.189 -1.222 -7.945 1.00 0.50 C ATOM 1713 CD GLN B 322 -13.668 -2.599 -8.312 1.00 0.53 C ATOM 1714 OE1 GLN B 322 -14.219 -3.622 -7.901 1.00 0.55 O ATOM 1715 NE2 GLN B 322 -12.595 -2.636 -9.083 1.00 0.59 N ATOM 0 H GLN B 322 -18.218 -0.231 -7.173 1.00 0.45 H new ATOM 0 HA GLN B 322 -15.497 0.160 -6.058 1.00 0.44 H new ATOM 0 HB2 GLN B 322 -15.968 -2.098 -7.138 1.00 0.47 H new ATOM 0 HB3 GLN B 322 -16.212 -1.240 -8.647 1.00 0.47 H new ATOM 0 HG2 GLN B 322 -13.953 -0.524 -8.748 1.00 0.50 H new ATOM 0 HG3 GLN B 322 -13.670 -0.869 -7.054 1.00 0.50 H new ATOM 0 HE21 GLN B 322 -12.167 -1.767 -9.403 1.00 0.59 H new ATOM 0 HE22 GLN B 322 -12.195 -3.533 -9.358 1.00 0.59 H new ATOM 1724 N ILE B 323 -15.024 2.041 -7.672 1.00 0.43 N ATOM 1725 CA ILE B 323 -14.874 3.253 -8.464 1.00 0.46 C ATOM 1726 C ILE B 323 -14.116 2.971 -9.754 1.00 0.48 C ATOM 1727 O ILE B 323 -14.596 3.279 -10.845 1.00 0.59 O ATOM 1728 CB ILE B 323 -14.160 4.364 -7.667 1.00 0.48 C ATOM 1729 CG1 ILE B 323 -15.000 4.745 -6.445 1.00 0.48 C ATOM 1730 CG2 ILE B 323 -13.898 5.582 -8.546 1.00 0.58 C ATOM 1731 CD1 ILE B 323 -14.495 5.967 -5.715 1.00 0.50 C ATOM 0 H ILE B 323 -14.251 1.850 -7.035 1.00 0.43 H new ATOM 0 HA ILE B 323 -15.876 3.601 -8.714 1.00 0.46 H new ATOM 0 HB ILE B 323 -13.195 3.988 -7.328 1.00 0.48 H new ATOM 0 HG12 ILE B 323 -16.027 4.922 -6.763 1.00 0.48 H new ATOM 0 HG13 ILE B 323 -15.021 3.903 -5.753 1.00 0.48 H new ATOM 0 HG21 ILE B 323 -13.394 6.351 -7.961 1.00 0.58 H new ATOM 0 HG22 ILE B 323 -13.268 5.295 -9.387 1.00 0.58 H new ATOM 0 HG23 ILE B 323 -14.845 5.972 -8.919 1.00 0.58 H new ATOM 0 HD11 ILE B 323 -15.141 6.174 -4.862 1.00 0.50 H new ATOM 0 HD12 ILE B 323 -13.478 5.788 -5.365 1.00 0.50 H new ATOM 0 HD13 ILE B 323 -14.501 6.822 -6.390 1.00 0.50 H new ATOM 1743 N ASP B 324 -12.934 2.388 -9.632 1.00 0.46 N ATOM 1744 CA ASP B 324 -12.129 2.061 -10.799 1.00 0.49 C ATOM 1745 C ASP B 324 -11.251 0.847 -10.518 1.00 0.48 C ATOM 1746 O ASP B 324 -11.554 0.041 -9.639 1.00 0.56 O ATOM 1747 CB ASP B 324 -11.286 3.265 -11.263 1.00 0.51 C ATOM 1748 CG ASP B 324 -10.490 3.924 -10.154 1.00 0.48 C ATOM 1749 OD1 ASP B 324 -9.778 3.207 -9.423 1.00 0.97 O ATOM 1750 OD2 ASP B 324 -10.564 5.168 -10.025 1.00 1.19 O ATOM 0 H ASP B 324 -12.511 2.132 -8.740 1.00 0.46 H new ATOM 0 HA ASP B 324 -12.807 1.812 -11.615 1.00 0.49 H new ATOM 0 HB2 ASP B 324 -10.599 2.936 -12.043 1.00 0.51 H new ATOM 0 HB3 ASP B 324 -11.947 4.007 -11.712 1.00 0.51 H new ATOM 1755 N GLU B 325 -10.159 0.731 -11.255 1.00 0.46 N ATOM 1756 CA GLU B 325 -9.248 -0.396 -11.123 1.00 0.47 C ATOM 1757 C GLU B 325 -8.317 -0.249 -9.922 1.00 0.42 C ATOM 1758 O GLU B 325 -7.431 -1.081 -9.715 1.00 0.48 O ATOM 1759 CB GLU B 325 -8.415 -0.546 -12.403 1.00 0.55 C ATOM 1760 CG GLU B 325 -9.247 -0.603 -13.679 1.00 0.68 C ATOM 1761 CD GLU B 325 -9.696 0.769 -14.150 1.00 1.42 C ATOM 1762 OE1 GLU B 325 -8.833 1.650 -14.336 1.00 1.92 O ATOM 1763 OE2 GLU B 325 -10.916 0.972 -14.342 1.00 2.21 O ATOM 0 H GLU B 325 -9.879 1.413 -11.960 1.00 0.46 H new ATOM 0 HA GLU B 325 -9.855 -1.287 -10.964 1.00 0.47 H new ATOM 0 HB2 GLU B 325 -7.719 0.290 -12.472 1.00 0.55 H new ATOM 0 HB3 GLU B 325 -7.816 -1.454 -12.331 1.00 0.55 H new ATOM 0 HG2 GLU B 325 -8.664 -1.080 -14.467 1.00 0.68 H new ATOM 0 HG3 GLU B 325 -10.123 -1.228 -13.508 1.00 0.68 H new ATOM 1770 N ASN B 326 -8.502 0.798 -9.125 1.00 0.37 N ATOM 1771 CA ASN B 326 -7.646 0.998 -7.965 1.00 0.35 C ATOM 1772 C ASN B 326 -8.421 1.518 -6.754 1.00 0.28 C ATOM 1773 O ASN B 326 -8.015 1.284 -5.613 1.00 0.28 O ATOM 1774 CB ASN B 326 -6.505 1.957 -8.311 1.00 0.42 C ATOM 1775 CG ASN B 326 -5.167 1.467 -7.791 1.00 0.71 C ATOM 1776 OD1 ASN B 326 -4.129 1.674 -8.420 1.00 1.47 O ATOM 1777 ND2 ASN B 326 -5.177 0.819 -6.635 1.00 1.34 N ATOM 0 H ASN B 326 -9.223 1.508 -9.258 1.00 0.37 H new ATOM 0 HA ASN B 326 -7.236 0.025 -7.694 1.00 0.35 H new ATOM 0 HB2 ASN B 326 -6.450 2.078 -9.393 1.00 0.42 H new ATOM 0 HB3 ASN B 326 -6.718 2.940 -7.891 1.00 0.42 H new ATOM 0 HD21 ASN B 326 -4.304 0.472 -6.237 1.00 1.34 H new ATOM 0 HD22 ASN B 326 -6.058 0.667 -6.143 1.00 1.34 H new ATOM 1784 N TRP B 327 -9.524 2.219 -6.993 1.00 0.32 N ATOM 1785 CA TRP B 327 -10.336 2.768 -5.909 1.00 0.27 C ATOM 1786 C TRP B 327 -11.565 1.908 -5.615 1.00 0.25 C ATOM 1787 O TRP B 327 -12.309 1.525 -6.524 1.00 0.28 O ATOM 1788 CB TRP B 327 -10.797 4.186 -6.254 1.00 0.31 C ATOM 1789 CG TRP B 327 -9.732 5.229 -6.125 1.00 0.36 C ATOM 1790 CD1 TRP B 327 -9.045 5.825 -7.140 1.00 0.49 C ATOM 1791 CD2 TRP B 327 -9.239 5.808 -4.910 1.00 0.35 C ATOM 1792 NE1 TRP B 327 -8.157 6.744 -6.635 1.00 0.54 N ATOM 1793 CE2 TRP B 327 -8.253 6.746 -5.267 1.00 0.45 C ATOM 1794 CE3 TRP B 327 -9.529 5.618 -3.557 1.00 0.31 C ATOM 1795 CZ2 TRP B 327 -7.566 7.500 -4.321 1.00 0.48 C ATOM 1796 CZ3 TRP B 327 -8.844 6.368 -2.618 1.00 0.36 C ATOM 1797 CH2 TRP B 327 -7.869 7.295 -3.004 1.00 0.43 C ATOM 0 H TRP B 327 -9.878 2.421 -7.928 1.00 0.32 H new ATOM 0 HA TRP B 327 -9.705 2.781 -5.020 1.00 0.27 H new ATOM 0 HB2 TRP B 327 -11.175 4.194 -7.276 1.00 0.31 H new ATOM 0 HB3 TRP B 327 -11.631 4.453 -5.604 1.00 0.31 H new ATOM 0 HD1 TRP B 327 -9.179 5.607 -8.189 1.00 0.49 H new ATOM 0 HE1 TRP B 327 -7.529 7.329 -7.187 1.00 0.54 H new ATOM 0 HE3 TRP B 327 -10.274 4.899 -3.250 1.00 0.31 H new ATOM 0 HZ2 TRP B 327 -6.819 8.222 -4.617 1.00 0.48 H new ATOM 0 HZ3 TRP B 327 -9.065 6.236 -1.569 1.00 0.36 H new ATOM 0 HH2 TRP B 327 -7.346 7.859 -2.246 1.00 0.43 H new ATOM 1808 N TYR B 328 -11.772 1.623 -4.338 1.00 0.23 N ATOM 1809 CA TYR B 328 -12.912 0.843 -3.882 1.00 0.23 C ATOM 1810 C TYR B 328 -13.793 1.712 -2.992 1.00 0.23 C ATOM 1811 O TYR B 328 -13.286 2.552 -2.251 1.00 0.25 O ATOM 1812 CB TYR B 328 -12.447 -0.389 -3.097 1.00 0.25 C ATOM 1813 CG TYR B 328 -12.956 -1.701 -3.648 1.00 0.30 C ATOM 1814 CD1 TYR B 328 -14.220 -1.795 -4.218 1.00 0.48 C ATOM 1815 CD2 TYR B 328 -12.174 -2.848 -3.601 1.00 0.37 C ATOM 1816 CE1 TYR B 328 -14.684 -2.991 -4.729 1.00 0.58 C ATOM 1817 CE2 TYR B 328 -12.631 -4.046 -4.112 1.00 0.43 C ATOM 1818 CZ TYR B 328 -13.887 -4.114 -4.672 1.00 0.49 C ATOM 1819 OH TYR B 328 -14.343 -5.304 -5.187 1.00 0.60 O ATOM 0 H TYR B 328 -11.152 1.927 -3.587 1.00 0.23 H new ATOM 0 HA TYR B 328 -13.477 0.507 -4.751 1.00 0.23 H new ATOM 0 HB2 TYR B 328 -11.357 -0.410 -3.087 1.00 0.25 H new ATOM 0 HB3 TYR B 328 -12.773 -0.291 -2.062 1.00 0.25 H new ATOM 0 HD1 TYR B 328 -14.850 -0.919 -4.262 1.00 0.48 H new ATOM 0 HD2 TYR B 328 -11.191 -2.802 -3.157 1.00 0.37 H new ATOM 0 HE1 TYR B 328 -15.668 -3.046 -5.172 1.00 0.58 H new ATOM 0 HE2 TYR B 328 -12.006 -4.926 -4.073 1.00 0.43 H new ATOM 0 HH TYR B 328 -14.433 -5.227 -6.160 1.00 0.60 H new ATOM 1829 N GLU B 329 -15.100 1.516 -3.070 1.00 0.23 N ATOM 1830 CA GLU B 329 -16.042 2.288 -2.269 1.00 0.24 C ATOM 1831 C GLU B 329 -16.613 1.420 -1.151 1.00 0.24 C ATOM 1832 O GLU B 329 -17.022 0.278 -1.385 1.00 0.28 O ATOM 1833 CB GLU B 329 -17.168 2.815 -3.169 1.00 0.29 C ATOM 1834 CG GLU B 329 -18.157 3.721 -2.459 1.00 0.88 C ATOM 1835 CD GLU B 329 -19.574 3.528 -2.958 1.00 0.99 C ATOM 1836 OE1 GLU B 329 -19.884 3.972 -4.084 1.00 0.99 O ATOM 1837 OE2 GLU B 329 -20.386 2.920 -2.228 1.00 1.31 O ATOM 0 H GLU B 329 -15.536 0.826 -3.682 1.00 0.23 H new ATOM 0 HA GLU B 329 -15.525 3.134 -1.817 1.00 0.24 H new ATOM 0 HB2 GLU B 329 -16.727 3.360 -4.003 1.00 0.29 H new ATOM 0 HB3 GLU B 329 -17.707 1.967 -3.592 1.00 0.29 H new ATOM 0 HG2 GLU B 329 -18.122 3.525 -1.387 1.00 0.88 H new ATOM 0 HG3 GLU B 329 -17.862 4.760 -2.603 1.00 0.88 H new ATOM 1844 N GLY B 330 -16.657 1.959 0.059 1.00 0.24 N ATOM 1845 CA GLY B 330 -17.166 1.198 1.177 1.00 0.28 C ATOM 1846 C GLY B 330 -17.667 2.068 2.308 1.00 0.26 C ATOM 1847 O GLY B 330 -17.572 3.299 2.254 1.00 0.26 O ATOM 0 H GLY B 330 -16.350 2.905 0.284 1.00 0.24 H new ATOM 0 HA2 GLY B 330 -17.978 0.557 0.833 1.00 0.28 H new ATOM 0 HA3 GLY B 330 -16.379 0.543 1.551 1.00 0.28 H new ATOM 1851 N MET B 331 -18.205 1.422 3.329 1.00 0.26 N ATOM 1852 CA MET B 331 -18.733 2.116 4.491 1.00 0.27 C ATOM 1853 C MET B 331 -18.162 1.526 5.779 1.00 0.27 C ATOM 1854 O MET B 331 -18.047 0.306 5.916 1.00 0.28 O ATOM 1855 CB MET B 331 -20.261 2.026 4.524 1.00 0.30 C ATOM 1856 CG MET B 331 -20.938 2.609 3.295 1.00 0.65 C ATOM 1857 SD MET B 331 -22.732 2.408 3.317 1.00 0.79 S ATOM 1858 CE MET B 331 -23.169 3.354 4.777 1.00 0.99 C ATOM 0 H MET B 331 -18.288 0.406 3.376 1.00 0.26 H new ATOM 0 HA MET B 331 -18.437 3.163 4.417 1.00 0.27 H new ATOM 0 HB2 MET B 331 -20.552 0.980 4.625 1.00 0.30 H new ATOM 0 HB3 MET B 331 -20.627 2.546 5.409 1.00 0.30 H new ATOM 0 HG2 MET B 331 -20.697 3.670 3.223 1.00 0.65 H new ATOM 0 HG3 MET B 331 -20.535 2.130 2.403 1.00 0.65 H new ATOM 0 HE1 MET B 331 -24.111 3.875 4.604 1.00 0.99 H new ATOM 0 HE2 MET B 331 -23.277 2.681 5.628 1.00 0.99 H new ATOM 0 HE3 MET B 331 -22.385 4.081 4.987 1.00 0.99 H new ATOM 1868 N LEU B 332 -17.793 2.397 6.705 1.00 0.30 N ATOM 1869 CA LEU B 332 -17.244 1.980 7.986 1.00 0.34 C ATOM 1870 C LEU B 332 -17.820 2.839 9.103 1.00 0.39 C ATOM 1871 O LEU B 332 -17.471 4.015 9.233 1.00 0.41 O ATOM 1872 CB LEU B 332 -15.716 2.092 7.980 1.00 0.35 C ATOM 1873 CG LEU B 332 -15.025 1.641 9.271 1.00 0.39 C ATOM 1874 CD1 LEU B 332 -15.043 0.129 9.386 1.00 0.51 C ATOM 1875 CD2 LEU B 332 -13.599 2.157 9.321 1.00 0.50 C ATOM 0 H LEU B 332 -17.865 3.408 6.591 1.00 0.30 H new ATOM 0 HA LEU B 332 -17.516 0.938 8.156 1.00 0.34 H new ATOM 0 HB2 LEU B 332 -15.327 1.499 7.152 1.00 0.35 H new ATOM 0 HB3 LEU B 332 -15.444 3.129 7.784 1.00 0.35 H new ATOM 0 HG LEU B 332 -15.574 2.058 10.115 1.00 0.39 H new ATOM 0 HD11 LEU B 332 -14.548 -0.172 10.309 1.00 0.51 H new ATOM 0 HD12 LEU B 332 -16.075 -0.223 9.397 1.00 0.51 H new ATOM 0 HD13 LEU B 332 -14.520 -0.307 8.535 1.00 0.51 H new ATOM 0 HD21 LEU B 332 -13.125 1.826 10.245 1.00 0.50 H new ATOM 0 HD22 LEU B 332 -13.042 1.769 8.468 1.00 0.50 H new ATOM 0 HD23 LEU B 332 -13.605 3.246 9.286 1.00 0.50 H new ATOM 1887 N HIS B 333 -18.722 2.249 9.889 1.00 0.49 N ATOM 1888 CA HIS B 333 -19.364 2.945 11.003 1.00 0.58 C ATOM 1889 C HIS B 333 -20.098 4.185 10.507 1.00 0.51 C ATOM 1890 O HIS B 333 -19.903 5.291 11.015 1.00 0.56 O ATOM 1891 CB HIS B 333 -18.336 3.329 12.076 1.00 0.69 C ATOM 1892 CG HIS B 333 -17.802 2.161 12.848 1.00 0.95 C ATOM 1893 ND1 HIS B 333 -17.960 2.009 14.206 1.00 1.43 N ATOM 1894 CD2 HIS B 333 -17.092 1.078 12.432 1.00 1.49 C ATOM 1895 CE1 HIS B 333 -17.358 0.869 14.566 1.00 1.64 C ATOM 1896 NE2 HIS B 333 -16.817 0.263 13.527 1.00 1.68 N ATOM 0 H HIS B 333 -19.026 1.282 9.772 1.00 0.49 H new ATOM 0 HA HIS B 333 -20.089 2.266 11.452 1.00 0.58 H new ATOM 0 HB2 HIS B 333 -17.504 3.848 11.600 1.00 0.69 H new ATOM 0 HB3 HIS B 333 -18.795 4.032 12.771 1.00 0.69 H new ATOM 0 HD2 HIS B 333 -16.790 0.881 11.414 1.00 1.49 H new ATOM 0 HE1 HIS B 333 -17.320 0.493 15.578 1.00 1.64 H new ATOM 0 HE2 HIS B 333 -16.304 -0.619 13.526 1.00 1.68 H new ATOM 1904 N GLY B 334 -20.923 3.995 9.484 1.00 0.48 N ATOM 1905 CA GLY B 334 -21.680 5.096 8.920 1.00 0.48 C ATOM 1906 C GLY B 334 -20.883 5.878 7.892 1.00 0.44 C ATOM 1907 O GLY B 334 -21.403 6.239 6.837 1.00 0.57 O ATOM 0 H GLY B 334 -21.081 3.094 9.034 1.00 0.48 H new ATOM 0 HA2 GLY B 334 -22.587 4.710 8.455 1.00 0.48 H new ATOM 0 HA3 GLY B 334 -21.993 5.767 9.721 1.00 0.48 H new ATOM 1911 N GLN B 335 -19.614 6.124 8.197 1.00 0.40 N ATOM 1912 CA GLN B 335 -18.738 6.868 7.304 1.00 0.40 C ATOM 1913 C GLN B 335 -18.569 6.130 5.985 1.00 0.35 C ATOM 1914 O GLN B 335 -18.207 4.956 5.960 1.00 0.37 O ATOM 1915 CB GLN B 335 -17.373 7.094 7.959 1.00 0.46 C ATOM 1916 CG GLN B 335 -17.422 8.068 9.120 1.00 0.59 C ATOM 1917 CD GLN B 335 -17.909 9.438 8.701 1.00 0.85 C ATOM 1918 OE1 GLN B 335 -17.637 9.898 7.594 1.00 0.94 O ATOM 1919 NE2 GLN B 335 -18.648 10.092 9.578 1.00 1.14 N ATOM 0 H GLN B 335 -19.168 5.816 9.061 1.00 0.40 H new ATOM 0 HA GLN B 335 -19.196 7.837 7.105 1.00 0.40 H new ATOM 0 HB2 GLN B 335 -16.983 6.139 8.311 1.00 0.46 H new ATOM 0 HB3 GLN B 335 -16.675 7.467 7.210 1.00 0.46 H new ATOM 0 HG2 GLN B 335 -18.079 7.673 9.895 1.00 0.59 H new ATOM 0 HG3 GLN B 335 -16.428 8.157 9.559 1.00 0.59 H new ATOM 0 HE21 GLN B 335 -18.851 9.675 10.486 1.00 1.14 H new ATOM 0 HE22 GLN B 335 -19.016 11.015 9.347 1.00 1.14 H new ATOM 1928 N SER B 336 -18.855 6.815 4.895 1.00 0.33 N ATOM 1929 CA SER B 336 -18.739 6.223 3.574 1.00 0.32 C ATOM 1930 C SER B 336 -17.673 6.948 2.760 1.00 0.29 C ATOM 1931 O SER B 336 -17.656 8.178 2.702 1.00 0.34 O ATOM 1932 CB SER B 336 -20.086 6.288 2.859 1.00 0.36 C ATOM 1933 OG SER B 336 -21.147 5.945 3.740 1.00 0.42 O ATOM 0 H SER B 336 -19.170 7.785 4.897 1.00 0.33 H new ATOM 0 HA SER B 336 -18.442 5.179 3.678 1.00 0.32 H new ATOM 0 HB2 SER B 336 -20.245 7.292 2.466 1.00 0.36 H new ATOM 0 HB3 SER B 336 -20.082 5.609 2.006 1.00 0.36 H new ATOM 0 HG SER B 336 -22.000 5.995 3.260 1.00 0.42 H new ATOM 1939 N GLY B 337 -16.782 6.191 2.137 1.00 0.24 N ATOM 1940 CA GLY B 337 -15.731 6.793 1.349 1.00 0.24 C ATOM 1941 C GLY B 337 -15.024 5.782 0.483 1.00 0.21 C ATOM 1942 O GLY B 337 -15.410 4.612 0.446 1.00 0.21 O ATOM 0 H GLY B 337 -16.769 5.171 2.164 1.00 0.24 H new ATOM 0 HA2 GLY B 337 -16.153 7.577 0.720 1.00 0.24 H new ATOM 0 HA3 GLY B 337 -15.009 7.270 2.012 1.00 0.24 H new ATOM 1946 N PHE B 338 -13.998 6.228 -0.223 1.00 0.24 N ATOM 1947 CA PHE B 338 -13.242 5.342 -1.084 1.00 0.22 C ATOM 1948 C PHE B 338 -11.857 5.070 -0.514 1.00 0.22 C ATOM 1949 O PHE B 338 -11.314 5.876 0.242 1.00 0.25 O ATOM 1950 CB PHE B 338 -13.139 5.901 -2.508 1.00 0.24 C ATOM 1951 CG PHE B 338 -13.054 7.401 -2.600 1.00 0.27 C ATOM 1952 CD1 PHE B 338 -11.862 8.062 -2.355 1.00 0.32 C ATOM 1953 CD2 PHE B 338 -14.166 8.147 -2.961 1.00 0.31 C ATOM 1954 CE1 PHE B 338 -11.780 9.437 -2.463 1.00 0.38 C ATOM 1955 CE2 PHE B 338 -14.090 9.520 -3.076 1.00 0.37 C ATOM 1956 CZ PHE B 338 -12.895 10.167 -2.826 1.00 0.40 C ATOM 0 H PHE B 338 -13.673 7.195 -0.215 1.00 0.24 H new ATOM 0 HA PHE B 338 -13.782 4.396 -1.132 1.00 0.22 H new ATOM 0 HB2 PHE B 338 -12.259 5.473 -2.987 1.00 0.24 H new ATOM 0 HB3 PHE B 338 -14.006 5.566 -3.077 1.00 0.24 H new ATOM 0 HD1 PHE B 338 -10.986 7.496 -2.076 1.00 0.32 H new ATOM 0 HD2 PHE B 338 -15.103 7.647 -3.155 1.00 0.31 H new ATOM 0 HE1 PHE B 338 -10.845 9.940 -2.264 1.00 0.38 H new ATOM 0 HE2 PHE B 338 -14.963 10.088 -3.361 1.00 0.37 H new ATOM 0 HZ PHE B 338 -12.833 11.242 -2.914 1.00 0.40 H new ATOM 1966 N PHE B 339 -11.312 3.917 -0.869 1.00 0.21 N ATOM 1967 CA PHE B 339 -9.996 3.498 -0.412 1.00 0.22 C ATOM 1968 C PHE B 339 -9.332 2.623 -1.477 1.00 0.20 C ATOM 1969 O PHE B 339 -10.014 2.095 -2.352 1.00 0.19 O ATOM 1970 CB PHE B 339 -10.112 2.735 0.917 1.00 0.23 C ATOM 1971 CG PHE B 339 -11.136 1.632 0.907 1.00 0.23 C ATOM 1972 CD1 PHE B 339 -10.785 0.345 0.533 1.00 0.25 C ATOM 1973 CD2 PHE B 339 -12.449 1.883 1.277 1.00 0.25 C ATOM 1974 CE1 PHE B 339 -11.722 -0.670 0.526 1.00 0.28 C ATOM 1975 CE2 PHE B 339 -13.389 0.872 1.273 1.00 0.27 C ATOM 1976 CZ PHE B 339 -13.026 -0.406 0.897 1.00 0.28 C ATOM 0 H PHE B 339 -11.770 3.244 -1.483 1.00 0.21 H new ATOM 0 HA PHE B 339 -9.378 4.381 -0.247 1.00 0.22 H new ATOM 0 HB2 PHE B 339 -9.139 2.310 1.166 1.00 0.23 H new ATOM 0 HB3 PHE B 339 -10.363 3.442 1.708 1.00 0.23 H new ATOM 0 HD1 PHE B 339 -9.766 0.133 0.243 1.00 0.25 H new ATOM 0 HD2 PHE B 339 -12.739 2.881 1.572 1.00 0.25 H new ATOM 0 HE1 PHE B 339 -11.435 -1.669 0.231 1.00 0.28 H new ATOM 0 HE2 PHE B 339 -14.408 1.081 1.564 1.00 0.27 H new ATOM 0 HZ PHE B 339 -13.760 -1.198 0.893 1.00 0.28 H new ATOM 1986 N PRO B 340 -7.997 2.478 -1.441 1.00 0.23 N ATOM 1987 CA PRO B 340 -7.272 1.660 -2.416 1.00 0.23 C ATOM 1988 C PRO B 340 -7.579 0.169 -2.277 1.00 0.22 C ATOM 1989 O PRO B 340 -7.621 -0.368 -1.169 1.00 0.24 O ATOM 1990 CB PRO B 340 -5.794 1.933 -2.104 1.00 0.27 C ATOM 1991 CG PRO B 340 -5.789 3.135 -1.220 1.00 0.31 C ATOM 1992 CD PRO B 340 -7.087 3.095 -0.469 1.00 0.30 C ATOM 0 HA PRO B 340 -7.556 1.914 -3.437 1.00 0.23 H new ATOM 0 HB2 PRO B 340 -5.333 1.079 -1.608 1.00 0.27 H new ATOM 0 HB3 PRO B 340 -5.227 2.115 -3.017 1.00 0.27 H new ATOM 0 HG2 PRO B 340 -4.941 3.114 -0.536 1.00 0.31 H new ATOM 0 HG3 PRO B 340 -5.704 4.051 -1.805 1.00 0.31 H new ATOM 0 HD2 PRO B 340 -7.009 2.506 0.445 1.00 0.30 H new ATOM 0 HD3 PRO B 340 -7.419 4.092 -0.178 1.00 0.30 H new ATOM 2000 N ILE B 341 -7.784 -0.488 -3.412 1.00 0.23 N ATOM 2001 CA ILE B 341 -8.095 -1.916 -3.445 1.00 0.24 C ATOM 2002 C ILE B 341 -6.945 -2.769 -2.903 1.00 0.25 C ATOM 2003 O ILE B 341 -7.163 -3.677 -2.103 1.00 0.29 O ATOM 2004 CB ILE B 341 -8.430 -2.380 -4.880 1.00 0.29 C ATOM 2005 CG1 ILE B 341 -9.579 -1.548 -5.449 1.00 0.30 C ATOM 2006 CG2 ILE B 341 -8.791 -3.861 -4.895 1.00 0.35 C ATOM 2007 CD1 ILE B 341 -9.931 -1.888 -6.882 1.00 0.37 C ATOM 0 H ILE B 341 -7.740 -0.051 -4.332 1.00 0.23 H new ATOM 0 HA ILE B 341 -8.964 -2.055 -2.802 1.00 0.24 H new ATOM 0 HB ILE B 341 -7.548 -2.235 -5.505 1.00 0.29 H new ATOM 0 HG12 ILE B 341 -10.461 -1.690 -4.825 1.00 0.30 H new ATOM 0 HG13 ILE B 341 -9.314 -0.492 -5.391 1.00 0.30 H new ATOM 0 HG21 ILE B 341 -9.024 -4.168 -5.915 1.00 0.35 H new ATOM 0 HG22 ILE B 341 -7.949 -4.445 -4.523 1.00 0.35 H new ATOM 0 HG23 ILE B 341 -9.659 -4.030 -4.258 1.00 0.35 H new ATOM 0 HD11 ILE B 341 -10.755 -1.256 -7.214 1.00 0.37 H new ATOM 0 HD12 ILE B 341 -9.063 -1.719 -7.520 1.00 0.37 H new ATOM 0 HD13 ILE B 341 -10.229 -2.935 -6.945 1.00 0.37 H new ATOM 2019 N ASN B 342 -5.721 -2.444 -3.305 1.00 0.26 N ATOM 2020 CA ASN B 342 -4.538 -3.203 -2.884 1.00 0.29 C ATOM 2021 C ASN B 342 -4.070 -2.805 -1.485 1.00 0.30 C ATOM 2022 O ASN B 342 -2.874 -2.812 -1.188 1.00 0.43 O ATOM 2023 CB ASN B 342 -3.397 -3.024 -3.893 1.00 0.37 C ATOM 2024 CG ASN B 342 -3.097 -1.564 -4.183 1.00 0.39 C ATOM 2025 OD1 ASN B 342 -3.684 -0.970 -5.084 1.00 0.93 O ATOM 2026 ND2 ASN B 342 -2.192 -0.974 -3.418 1.00 0.95 N ATOM 0 H ASN B 342 -5.517 -1.659 -3.923 1.00 0.26 H new ATOM 0 HA ASN B 342 -4.825 -4.254 -2.850 1.00 0.29 H new ATOM 0 HB2 ASN B 342 -2.498 -3.506 -3.509 1.00 0.37 H new ATOM 0 HB3 ASN B 342 -3.657 -3.529 -4.823 1.00 0.37 H new ATOM 0 HD21 ASN B 342 -1.961 0.008 -3.567 1.00 0.95 H new ATOM 0 HD22 ASN B 342 -1.726 -1.502 -2.680 1.00 0.95 H new ATOM 2033 N TYR B 343 -5.019 -2.463 -0.630 1.00 0.28 N ATOM 2034 CA TYR B 343 -4.722 -2.082 0.742 1.00 0.30 C ATOM 2035 C TYR B 343 -5.505 -2.971 1.699 1.00 0.29 C ATOM 2036 O TYR B 343 -5.246 -2.995 2.902 1.00 0.35 O ATOM 2037 CB TYR B 343 -5.088 -0.613 0.993 1.00 0.32 C ATOM 2038 CG TYR B 343 -3.919 0.353 0.928 1.00 0.31 C ATOM 2039 CD1 TYR B 343 -3.219 0.558 -0.255 1.00 0.31 C ATOM 2040 CD2 TYR B 343 -3.525 1.069 2.052 1.00 0.37 C ATOM 2041 CE1 TYR B 343 -2.161 1.447 -0.314 1.00 0.33 C ATOM 2042 CE2 TYR B 343 -2.471 1.961 1.999 1.00 0.40 C ATOM 2043 CZ TYR B 343 -1.792 2.147 0.815 1.00 0.36 C ATOM 2044 OH TYR B 343 -0.745 3.039 0.758 1.00 0.41 O ATOM 0 H TYR B 343 -6.011 -2.441 -0.864 1.00 0.28 H new ATOM 0 HA TYR B 343 -3.652 -2.207 0.911 1.00 0.30 H new ATOM 0 HB2 TYR B 343 -5.834 -0.308 0.259 1.00 0.32 H new ATOM 0 HB3 TYR B 343 -5.554 -0.532 1.975 1.00 0.32 H new ATOM 0 HD1 TYR B 343 -3.506 0.014 -1.143 1.00 0.31 H new ATOM 0 HD2 TYR B 343 -4.052 0.926 2.984 1.00 0.37 H new ATOM 0 HE1 TYR B 343 -1.626 1.592 -1.241 1.00 0.33 H new ATOM 0 HE2 TYR B 343 -2.181 2.510 2.882 1.00 0.40 H new ATOM 0 HH TYR B 343 -0.488 3.300 1.667 1.00 0.41 H new ATOM 2054 N VAL B 344 -6.460 -3.717 1.151 1.00 0.26 N ATOM 2055 CA VAL B 344 -7.298 -4.592 1.955 1.00 0.27 C ATOM 2056 C VAL B 344 -7.441 -5.974 1.325 1.00 0.27 C ATOM 2057 O VAL B 344 -7.070 -6.188 0.171 1.00 0.28 O ATOM 2058 CB VAL B 344 -8.712 -3.999 2.160 1.00 0.28 C ATOM 2059 CG1 VAL B 344 -8.655 -2.737 3.015 1.00 0.32 C ATOM 2060 CG2 VAL B 344 -9.384 -3.725 0.815 1.00 0.28 C ATOM 0 H VAL B 344 -6.670 -3.731 0.153 1.00 0.26 H new ATOM 0 HA VAL B 344 -6.799 -4.684 2.920 1.00 0.27 H new ATOM 0 HB VAL B 344 -9.315 -4.734 2.693 1.00 0.28 H new ATOM 0 HG11 VAL B 344 -9.662 -2.339 3.144 1.00 0.32 H new ATOM 0 HG12 VAL B 344 -8.232 -2.977 3.990 1.00 0.32 H new ATOM 0 HG13 VAL B 344 -8.031 -1.991 2.522 1.00 0.32 H new ATOM 0 HG21 VAL B 344 -10.377 -3.308 0.983 1.00 0.28 H new ATOM 0 HG22 VAL B 344 -8.784 -3.015 0.246 1.00 0.28 H new ATOM 0 HG23 VAL B 344 -9.471 -4.656 0.255 1.00 0.28 H new ATOM 2070 N GLU B 345 -7.979 -6.901 2.102 1.00 0.31 N ATOM 2071 CA GLU B 345 -8.207 -8.264 1.654 1.00 0.34 C ATOM 2072 C GLU B 345 -9.700 -8.474 1.426 1.00 0.34 C ATOM 2073 O GLU B 345 -10.513 -8.191 2.307 1.00 0.37 O ATOM 2074 CB GLU B 345 -7.683 -9.251 2.697 1.00 0.41 C ATOM 2075 CG GLU B 345 -7.729 -10.708 2.264 1.00 0.61 C ATOM 2076 CD GLU B 345 -7.195 -11.631 3.336 1.00 0.71 C ATOM 2077 OE1 GLU B 345 -7.678 -11.548 4.482 1.00 0.74 O ATOM 2078 OE2 GLU B 345 -6.284 -12.435 3.042 1.00 1.02 O ATOM 0 H GLU B 345 -8.270 -6.728 3.064 1.00 0.31 H new ATOM 0 HA GLU B 345 -7.674 -8.436 0.719 1.00 0.34 H new ATOM 0 HB2 GLU B 345 -6.653 -8.990 2.941 1.00 0.41 H new ATOM 0 HB3 GLU B 345 -8.266 -9.138 3.611 1.00 0.41 H new ATOM 0 HG2 GLU B 345 -8.756 -10.984 2.026 1.00 0.61 H new ATOM 0 HG3 GLU B 345 -7.145 -10.835 1.352 1.00 0.61 H new ATOM 2085 N ILE B 346 -10.066 -8.949 0.248 1.00 0.37 N ATOM 2086 CA ILE B 346 -11.467 -9.165 -0.076 1.00 0.38 C ATOM 2087 C ILE B 346 -11.938 -10.537 0.387 1.00 0.43 C ATOM 2088 O ILE B 346 -11.358 -11.558 0.025 1.00 0.49 O ATOM 2089 CB ILE B 346 -11.724 -9.028 -1.592 1.00 0.44 C ATOM 2090 CG1 ILE B 346 -11.325 -7.629 -2.085 1.00 0.46 C ATOM 2091 CG2 ILE B 346 -13.186 -9.313 -1.923 1.00 0.47 C ATOM 2092 CD1 ILE B 346 -12.035 -6.500 -1.364 1.00 0.46 C ATOM 0 H ILE B 346 -9.415 -9.192 -0.499 1.00 0.37 H new ATOM 0 HA ILE B 346 -12.032 -8.396 0.451 1.00 0.38 H new ATOM 0 HB ILE B 346 -11.107 -9.765 -2.107 1.00 0.44 H new ATOM 0 HG12 ILE B 346 -10.249 -7.505 -1.964 1.00 0.46 H new ATOM 0 HG13 ILE B 346 -11.536 -7.556 -3.152 1.00 0.46 H new ATOM 0 HG21 ILE B 346 -13.343 -9.210 -2.997 1.00 0.47 H new ATOM 0 HG22 ILE B 346 -13.438 -10.328 -1.615 1.00 0.47 H new ATOM 0 HG23 ILE B 346 -13.824 -8.605 -1.394 1.00 0.47 H new ATOM 0 HD11 ILE B 346 -11.701 -5.544 -1.767 1.00 0.46 H new ATOM 0 HD12 ILE B 346 -13.111 -6.598 -1.506 1.00 0.46 H new ATOM 0 HD13 ILE B 346 -11.804 -6.546 -0.300 1.00 0.46 H new ATOM 2104 N LEU B 347 -12.987 -10.543 1.194 1.00 0.41 N ATOM 2105 CA LEU B 347 -13.567 -11.783 1.688 1.00 0.47 C ATOM 2106 C LEU B 347 -14.797 -12.116 0.859 1.00 0.50 C ATOM 2107 O LEU B 347 -14.960 -13.234 0.378 1.00 0.58 O ATOM 2108 CB LEU B 347 -13.941 -11.657 3.165 1.00 0.48 C ATOM 2109 CG LEU B 347 -12.762 -11.621 4.134 1.00 0.56 C ATOM 2110 CD1 LEU B 347 -13.207 -11.112 5.496 1.00 0.60 C ATOM 2111 CD2 LEU B 347 -12.159 -13.004 4.262 1.00 0.70 C ATOM 0 H LEU B 347 -13.456 -9.699 1.522 1.00 0.41 H new ATOM 0 HA LEU B 347 -12.833 -12.584 1.597 1.00 0.47 H new ATOM 0 HB2 LEU B 347 -14.528 -10.748 3.298 1.00 0.48 H new ATOM 0 HB3 LEU B 347 -14.585 -12.495 3.433 1.00 0.48 H new ATOM 0 HG LEU B 347 -12.007 -10.939 3.743 1.00 0.56 H new ATOM 0 HD11 LEU B 347 -12.354 -11.093 6.174 1.00 0.60 H new ATOM 0 HD12 LEU B 347 -13.612 -10.105 5.394 1.00 0.60 H new ATOM 0 HD13 LEU B 347 -13.975 -11.773 5.898 1.00 0.60 H new ATOM 0 HD21 LEU B 347 -11.318 -12.972 4.955 1.00 0.70 H new ATOM 0 HD22 LEU B 347 -12.913 -13.696 4.638 1.00 0.70 H new ATOM 0 HD23 LEU B 347 -11.812 -13.341 3.285 1.00 0.70 H new ATOM 2123 N VAL B 348 -15.661 -11.123 0.703 1.00 0.48 N ATOM 2124 CA VAL B 348 -16.867 -11.264 -0.099 1.00 0.53 C ATOM 2125 C VAL B 348 -16.825 -10.230 -1.215 1.00 0.56 C ATOM 2126 O VAL B 348 -17.018 -9.035 -0.973 1.00 0.55 O ATOM 2127 CB VAL B 348 -18.146 -11.086 0.749 1.00 0.53 C ATOM 2128 CG1 VAL B 348 -19.402 -11.233 -0.113 1.00 0.58 C ATOM 2129 CG2 VAL B 348 -18.148 -12.086 1.900 1.00 0.57 C ATOM 0 H VAL B 348 -15.547 -10.202 1.126 1.00 0.48 H new ATOM 0 HA VAL B 348 -16.899 -12.272 -0.514 1.00 0.53 H new ATOM 0 HB VAL B 348 -18.153 -10.078 1.164 1.00 0.53 H new ATOM 0 HG11 VAL B 348 -20.288 -11.103 0.509 1.00 0.58 H new ATOM 0 HG12 VAL B 348 -19.396 -10.476 -0.897 1.00 0.58 H new ATOM 0 HG13 VAL B 348 -19.419 -12.225 -0.565 1.00 0.58 H new ATOM 0 HG21 VAL B 348 -19.052 -11.955 2.494 1.00 0.57 H new ATOM 0 HG22 VAL B 348 -18.119 -13.100 1.501 1.00 0.57 H new ATOM 0 HG23 VAL B 348 -17.274 -11.919 2.529 1.00 0.57 H new ATOM 2139 N ALA B 349 -16.534 -10.689 -2.423 1.00 0.63 N ATOM 2140 CA ALA B 349 -16.427 -9.809 -3.580 1.00 0.71 C ATOM 2141 C ALA B 349 -17.789 -9.349 -4.082 1.00 0.65 C ATOM 2142 O ALA B 349 -18.818 -9.965 -3.794 1.00 0.65 O ATOM 2143 CB ALA B 349 -15.670 -10.512 -4.697 1.00 0.86 C ATOM 0 H ALA B 349 -16.366 -11.674 -2.630 1.00 0.63 H new ATOM 0 HA ALA B 349 -15.880 -8.920 -3.266 1.00 0.71 H new ATOM 0 HB1 ALA B 349 -15.594 -9.849 -5.558 1.00 0.86 H new ATOM 0 HB2 ALA B 349 -14.670 -10.773 -4.351 1.00 0.86 H new ATOM 0 HB3 ALA B 349 -16.203 -11.419 -4.983 1.00 0.86 H new ATOM 2149 N LEU B 350 -17.779 -8.266 -4.849 1.00 0.63 N ATOM 2150 CA LEU B 350 -19.000 -7.717 -5.417 1.00 0.61 C ATOM 2151 C LEU B 350 -19.457 -8.587 -6.584 1.00 0.63 C ATOM 2152 O LEU B 350 -18.639 -9.003 -7.411 1.00 0.72 O ATOM 2153 CB LEU B 350 -18.782 -6.270 -5.889 1.00 0.67 C ATOM 2154 CG LEU B 350 -19.137 -5.179 -4.865 1.00 0.85 C ATOM 2155 CD1 LEU B 350 -20.631 -5.163 -4.583 1.00 1.05 C ATOM 2156 CD2 LEU B 350 -18.369 -5.375 -3.570 1.00 1.85 C ATOM 0 H LEU B 350 -16.934 -7.750 -5.092 1.00 0.63 H new ATOM 0 HA LEU B 350 -19.771 -7.709 -4.647 1.00 0.61 H new ATOM 0 HB2 LEU B 350 -17.736 -6.152 -6.171 1.00 0.67 H new ATOM 0 HB3 LEU B 350 -19.375 -6.106 -6.789 1.00 0.67 H new ATOM 0 HG LEU B 350 -18.852 -4.220 -5.297 1.00 0.85 H new ATOM 0 HD11 LEU B 350 -20.856 -4.383 -3.856 1.00 1.05 H new ATOM 0 HD12 LEU B 350 -21.174 -4.965 -5.507 1.00 1.05 H new ATOM 0 HD13 LEU B 350 -20.936 -6.130 -4.183 1.00 1.05 H new ATOM 0 HD21 LEU B 350 -18.639 -4.590 -2.864 1.00 1.85 H new ATOM 0 HD22 LEU B 350 -18.617 -6.347 -3.144 1.00 1.85 H new ATOM 0 HD23 LEU B 350 -17.299 -5.329 -3.771 1.00 1.85 H new ATOM 2168 N PRO B 351 -20.765 -8.900 -6.640 1.00 0.59 N ATOM 2169 CA PRO B 351 -21.351 -9.724 -7.706 1.00 0.68 C ATOM 2170 C PRO B 351 -20.938 -9.258 -9.099 1.00 0.75 C ATOM 2171 O PRO B 351 -21.162 -8.107 -9.477 1.00 0.83 O ATOM 2172 CB PRO B 351 -22.854 -9.531 -7.509 1.00 0.74 C ATOM 2173 CG PRO B 351 -23.013 -9.230 -6.059 1.00 0.69 C ATOM 2174 CD PRO B 351 -21.780 -8.471 -5.655 1.00 0.56 C ATOM 0 HA PRO B 351 -21.023 -10.762 -7.645 1.00 0.68 H new ATOM 0 HB2 PRO B 351 -23.232 -8.716 -8.126 1.00 0.74 H new ATOM 0 HB3 PRO B 351 -23.408 -10.427 -7.790 1.00 0.74 H new ATOM 0 HG2 PRO B 351 -23.911 -8.639 -5.880 1.00 0.69 H new ATOM 0 HG3 PRO B 351 -23.114 -10.147 -5.479 1.00 0.69 H new ATOM 0 HD2 PRO B 351 -21.943 -7.394 -5.692 1.00 0.56 H new ATOM 0 HD3 PRO B 351 -21.477 -8.713 -4.636 1.00 0.56 H new ATOM 2182 N HIS B 352 -20.321 -10.152 -9.854 1.00 0.82 N ATOM 2183 CA HIS B 352 -19.873 -9.834 -11.200 1.00 0.93 C ATOM 2184 C HIS B 352 -20.304 -10.928 -12.162 1.00 1.12 C ATOM 2185 O HIS B 352 -20.053 -12.116 -11.868 1.00 1.33 O ATOM 2186 CB HIS B 352 -18.346 -9.629 -11.245 1.00 0.94 C ATOM 2187 CG HIS B 352 -17.544 -10.704 -10.567 1.00 1.03 C ATOM 2188 ND1 HIS B 352 -17.383 -10.789 -9.201 1.00 1.04 N ATOM 2189 CD2 HIS B 352 -16.836 -11.742 -11.091 1.00 1.28 C ATOM 2190 CE1 HIS B 352 -16.605 -11.847 -8.941 1.00 1.25 C ATOM 2191 NE2 HIS B 352 -16.245 -12.460 -10.052 1.00 1.41 N ATOM 2192 OXT HIS B 352 -20.919 -10.600 -13.193 1.00 1.41 O ATOM 0 H HIS B 352 -20.118 -11.106 -9.557 1.00 0.82 H new ATOM 0 HA HIS B 352 -20.337 -8.897 -11.506 1.00 0.93 H new ATOM 0 HB2 HIS B 352 -18.033 -9.565 -12.287 1.00 0.94 H new ATOM 0 HB3 HIS B 352 -18.109 -8.672 -10.781 1.00 0.94 H new ATOM 0 HD1 HIS B 352 -17.786 -10.157 -8.509 1.00 1.04 H new ATOM 0 HD2 HIS B 352 -16.746 -11.972 -12.142 1.00 1.28 H new ATOM 0 HE1 HIS B 352 -16.310 -12.158 -7.950 1.00 1.25 H new TER 2200 HIS B 352