USER MOD reduce.3.24.130724 H: found=0, std=0, add=725, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 723 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 3 GLN : amide:sc= 1.98 K(o=3.1,f=-0.77) USER MOD Set 1.2: A 77 SER OG : rot 130:sc= 1.07 USER MOD Set 2.1: A 64 SER OG : rot 170:sc= 2.28 USER MOD Set 2.2: A 67 SER OG : rot 61:sc= 1.21 USER MOD Set 3.1: A 4 TYR OH : rot -171:sc= 1.27 USER MOD Set 3.2: A 54 GLN : amide:sc= 1.02 K(o=2.3,f=-0.72) USER MOD Set 4.1: A 13 GLN : amide:sc= 2.01 K(o=4.8,f=1.6) USER MOD Set 4.2: A 36 ASN : amide:sc= 2.8 K(o=4.8,f=-3.2) USER MOD Single : A 1 MET CE :methyl -155:sc= -0.0112 (180deg=-0.262) USER MOD Single : A 1 MET N :NH3+ -101:sc= 0.0478 (180deg=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=-0.083) USER MOD Single : A 23 MET CE :methyl -170:sc= 0 (180deg=-0.305) USER MOD Single : A 27 LYS NZ :NH3+ 171:sc= 0.702 (180deg=0.648) USER MOD Single : A 29 LYS NZ :NH3+ 177:sc= 1.22 (180deg=1.21) USER MOD Single : A 35 LYS NZ :NH3+ -175:sc= 1.24 (180deg=1.12) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 SER OG : rot 77:sc= 1.14 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= 1.06 K(o=1.1,f=0) USER MOD Single : A 68 LYS NZ :NH3+ -157:sc= 0.994 (180deg=0.7) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.114 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 83 HIS : no HE2:sc= -0.236! C(o=-0.24!,f=-4.8!) USER MOD Single : A 84 HIS : no HD1:sc= -0.299 X(o=-0.3,f=-0.4) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.953 -12.581 -0.450 1.00 0.00 N ATOM 2 CA MET A 1 -4.897 -13.164 0.415 1.00 0.00 C ATOM 3 C MET A 1 -5.478 -13.449 1.807 1.00 0.00 C ATOM 4 O MET A 1 -6.371 -12.735 2.269 1.00 0.00 O ATOM 5 CB MET A 1 -3.655 -12.247 0.467 1.00 0.00 C ATOM 6 CG MET A 1 -2.366 -12.952 0.900 1.00 0.00 C ATOM 7 SD MET A 1 -0.928 -11.846 0.828 1.00 0.00 S ATOM 8 CE MET A 1 0.267 -12.823 1.770 1.00 0.00 C ATOM 0 H1 MET A 1 -6.331 -13.317 -1.080 1.00 0.00 H new ATOM 0 H2 MET A 1 -6.720 -12.206 0.144 1.00 0.00 H new ATOM 0 H3 MET A 1 -5.549 -11.811 -1.020 1.00 0.00 H new ATOM 0 HA MET A 1 -4.559 -14.110 -0.008 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.501 -11.808 -0.519 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.854 -11.425 1.155 1.00 0.00 H new ATOM 0 HG2 MET A 1 -2.483 -13.329 1.916 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.192 -13.815 0.258 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.017 -12.161 2.203 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.249 -13.358 2.568 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.754 -13.539 1.108 1.00 0.00 H new ATOM 20 N LEU A 2 -5.006 -14.507 2.470 1.00 0.00 N ATOM 21 CA LEU A 2 -5.619 -15.117 3.652 1.00 0.00 C ATOM 22 C LEU A 2 -4.531 -15.372 4.701 1.00 0.00 C ATOM 23 O LEU A 2 -3.348 -15.375 4.349 1.00 0.00 O ATOM 24 CB LEU A 2 -6.283 -16.430 3.173 1.00 0.00 C ATOM 25 CG LEU A 2 -7.074 -17.234 4.220 1.00 0.00 C ATOM 26 CD1 LEU A 2 -8.271 -16.428 4.717 1.00 0.00 C ATOM 27 CD2 LEU A 2 -7.583 -18.538 3.606 1.00 0.00 C ATOM 0 H LEU A 2 -4.150 -14.982 2.186 1.00 0.00 H new ATOM 0 HA LEU A 2 -6.369 -14.476 4.115 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -6.957 -16.189 2.351 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -5.504 -17.076 2.768 1.00 0.00 H new ATOM 0 HG LEU A 2 -6.408 -17.452 5.055 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -8.820 -17.011 5.457 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -7.922 -15.501 5.171 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -8.927 -16.196 3.878 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -8.141 -19.099 4.355 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -8.234 -18.313 2.762 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -6.737 -19.133 3.263 1.00 0.00 H new ATOM 39 N GLN A 3 -4.913 -15.613 5.962 1.00 0.00 N ATOM 40 CA GLN A 3 -4.020 -15.956 7.064 1.00 0.00 C ATOM 41 C GLN A 3 -4.511 -17.259 7.697 1.00 0.00 C ATOM 42 O GLN A 3 -5.697 -17.377 8.014 1.00 0.00 O ATOM 43 CB GLN A 3 -4.042 -14.818 8.104 1.00 0.00 C ATOM 44 CG GLN A 3 -3.220 -15.095 9.375 1.00 0.00 C ATOM 45 CD GLN A 3 -3.432 -14.016 10.436 1.00 0.00 C ATOM 46 OE1 GLN A 3 -4.247 -14.170 11.342 1.00 0.00 O ATOM 47 NE2 GLN A 3 -2.715 -12.907 10.359 1.00 0.00 N ATOM 0 H GLN A 3 -5.891 -15.571 6.248 1.00 0.00 H new ATOM 0 HA GLN A 3 -2.999 -16.087 6.705 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -3.666 -13.908 7.636 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -5.076 -14.626 8.391 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -3.499 -16.066 9.784 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -2.162 -15.149 9.119 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -2.040 -12.787 9.603 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -2.837 -12.172 11.055 1.00 0.00 H new ATOM 56 N TYR A 4 -3.593 -18.189 7.958 1.00 0.00 N ATOM 57 CA TYR A 4 -3.795 -19.373 8.789 1.00 0.00 C ATOM 58 C TYR A 4 -2.854 -19.289 9.995 1.00 0.00 C ATOM 59 O TYR A 4 -1.795 -18.656 9.934 1.00 0.00 O ATOM 60 CB TYR A 4 -3.496 -20.667 8.001 1.00 0.00 C ATOM 61 CG TYR A 4 -4.581 -21.263 7.111 1.00 0.00 C ATOM 62 CD1 TYR A 4 -5.792 -20.598 6.826 1.00 0.00 C ATOM 63 CD2 TYR A 4 -4.373 -22.555 6.592 1.00 0.00 C ATOM 64 CE1 TYR A 4 -6.783 -21.220 6.050 1.00 0.00 C ATOM 65 CE2 TYR A 4 -5.354 -23.182 5.803 1.00 0.00 C ATOM 66 CZ TYR A 4 -6.572 -22.518 5.536 1.00 0.00 C ATOM 67 OH TYR A 4 -7.551 -23.117 4.808 1.00 0.00 O ATOM 0 H TYR A 4 -2.648 -18.134 7.579 1.00 0.00 H new ATOM 0 HA TYR A 4 -4.836 -19.403 9.110 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -2.626 -20.475 7.374 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -3.207 -21.431 8.722 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -5.958 -19.602 7.208 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -3.448 -23.071 6.802 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -7.710 -20.704 5.846 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -5.177 -24.169 5.402 1.00 0.00 H new ATOM 0 HH TYR A 4 -7.312 -24.054 4.647 1.00 0.00 H new ATOM 77 N ARG A 5 -3.202 -20.008 11.063 1.00 0.00 N ATOM 78 CA ARG A 5 -2.324 -20.353 12.174 1.00 0.00 C ATOM 79 C ARG A 5 -2.411 -21.867 12.304 1.00 0.00 C ATOM 80 O ARG A 5 -3.497 -22.422 12.128 1.00 0.00 O ATOM 81 CB ARG A 5 -2.776 -19.649 13.466 1.00 0.00 C ATOM 82 CG ARG A 5 -1.694 -19.669 14.560 1.00 0.00 C ATOM 83 CD ARG A 5 -2.269 -19.222 15.910 1.00 0.00 C ATOM 84 NE ARG A 5 -1.210 -18.772 16.831 1.00 0.00 N ATOM 85 CZ ARG A 5 -0.858 -17.508 17.099 1.00 0.00 C ATOM 86 NH1 ARG A 5 -1.437 -16.475 16.491 1.00 0.00 N ATOM 87 NH2 ARG A 5 0.096 -17.309 17.998 1.00 0.00 N ATOM 0 H ARG A 5 -4.145 -20.380 11.179 1.00 0.00 H new ATOM 0 HA ARG A 5 -1.298 -20.029 11.999 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -3.039 -18.616 13.239 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -3.677 -20.132 13.843 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -1.282 -20.674 14.651 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -0.872 -19.012 14.275 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -2.982 -18.413 15.752 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -2.819 -20.047 16.363 1.00 0.00 H new ATOM 0 HE ARG A 5 -0.689 -19.502 17.317 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -2.170 -16.635 15.800 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -1.148 -15.523 16.716 1.00 0.00 H new ATOM 0 HH21 ARG A 5 0.536 -18.105 18.460 1.00 0.00 H new ATOM 0 HH22 ARG A 5 0.390 -16.360 18.228 1.00 0.00 H new ATOM 101 N ILE A 6 -1.299 -22.542 12.571 1.00 0.00 N ATOM 102 CA ILE A 6 -1.226 -23.999 12.599 1.00 0.00 C ATOM 103 C ILE A 6 -0.454 -24.362 13.867 1.00 0.00 C ATOM 104 O ILE A 6 0.502 -23.670 14.225 1.00 0.00 O ATOM 105 CB ILE A 6 -0.562 -24.546 11.307 1.00 0.00 C ATOM 106 CG1 ILE A 6 -1.215 -23.999 10.010 1.00 0.00 C ATOM 107 CG2 ILE A 6 -0.582 -26.087 11.297 1.00 0.00 C ATOM 108 CD1 ILE A 6 -0.398 -24.255 8.739 1.00 0.00 C ATOM 0 H ILE A 6 -0.410 -22.087 12.777 1.00 0.00 H new ATOM 0 HA ILE A 6 -2.215 -24.457 12.623 1.00 0.00 H new ATOM 0 HB ILE A 6 0.469 -24.193 11.319 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -2.199 -24.452 9.893 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -1.369 -22.926 10.119 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -0.112 -26.451 10.383 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -0.035 -26.464 12.161 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -1.613 -26.438 11.339 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -0.924 -23.842 7.879 1.00 0.00 H new ATOM 0 HD12 ILE A 6 0.578 -23.778 8.831 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -0.265 -25.328 8.602 1.00 0.00 H new ATOM 120 N ILE A 7 -0.860 -25.442 14.531 1.00 0.00 N ATOM 121 CA ILE A 7 -0.279 -25.942 15.771 1.00 0.00 C ATOM 122 C ILE A 7 -0.069 -27.441 15.544 1.00 0.00 C ATOM 123 O ILE A 7 -0.940 -28.088 14.959 1.00 0.00 O ATOM 124 CB ILE A 7 -1.233 -25.655 16.962 1.00 0.00 C ATOM 125 CG1 ILE A 7 -1.701 -24.182 17.083 1.00 0.00 C ATOM 126 CG2 ILE A 7 -0.600 -26.116 18.288 1.00 0.00 C ATOM 127 CD1 ILE A 7 -0.600 -23.174 17.426 1.00 0.00 C ATOM 0 H ILE A 7 -1.637 -26.016 14.204 1.00 0.00 H new ATOM 0 HA ILE A 7 0.664 -25.456 16.021 1.00 0.00 H new ATOM 0 HB ILE A 7 -2.132 -26.234 16.748 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -2.162 -23.886 16.141 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.475 -24.125 17.849 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -1.284 -25.906 19.110 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -0.403 -27.187 18.244 1.00 0.00 H new ATOM 0 HG23 ILE A 7 0.336 -25.581 18.450 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -1.029 -22.174 17.488 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.152 -23.437 18.384 1.00 0.00 H new ATOM 0 HD13 ILE A 7 0.165 -23.193 16.650 1.00 0.00 H new ATOM 139 N VAL A 8 1.071 -27.995 15.966 1.00 0.00 N ATOM 140 CA VAL A 8 1.447 -29.379 15.663 1.00 0.00 C ATOM 141 C VAL A 8 2.083 -30.011 16.903 1.00 0.00 C ATOM 142 O VAL A 8 2.773 -29.317 17.652 1.00 0.00 O ATOM 143 CB VAL A 8 2.422 -29.431 14.458 1.00 0.00 C ATOM 144 CG1 VAL A 8 2.362 -30.805 13.780 1.00 0.00 C ATOM 145 CG2 VAL A 8 2.182 -28.365 13.372 1.00 0.00 C ATOM 0 H VAL A 8 1.760 -27.496 16.528 1.00 0.00 H new ATOM 0 HA VAL A 8 0.555 -29.943 15.391 1.00 0.00 H new ATOM 0 HB VAL A 8 3.399 -29.229 14.897 1.00 0.00 H new ATOM 0 HG11 VAL A 8 3.052 -30.825 12.936 1.00 0.00 H new ATOM 0 HG12 VAL A 8 2.643 -31.577 14.497 1.00 0.00 H new ATOM 0 HG13 VAL A 8 1.349 -30.991 13.424 1.00 0.00 H new ATOM 0 HG21 VAL A 8 2.915 -28.487 12.574 1.00 0.00 H new ATOM 0 HG22 VAL A 8 1.178 -28.482 12.963 1.00 0.00 H new ATOM 0 HG23 VAL A 8 2.283 -27.371 13.809 1.00 0.00 H new ATOM 155 N ASP A 9 1.910 -31.320 17.100 1.00 0.00 N ATOM 156 CA ASP A 9 2.511 -32.094 18.185 1.00 0.00 C ATOM 157 C ASP A 9 2.911 -33.483 17.675 1.00 0.00 C ATOM 158 O ASP A 9 2.374 -33.955 16.668 1.00 0.00 O ATOM 159 CB ASP A 9 1.517 -32.232 19.346 1.00 0.00 C ATOM 160 CG ASP A 9 2.133 -32.931 20.572 1.00 0.00 C ATOM 161 OD1 ASP A 9 3.335 -32.732 20.854 1.00 0.00 O ATOM 162 OD2 ASP A 9 1.404 -33.669 21.271 1.00 0.00 O ATOM 0 H ASP A 9 1.327 -31.889 16.486 1.00 0.00 H new ATOM 0 HA ASP A 9 3.401 -31.574 18.540 1.00 0.00 H new ATOM 0 HB2 ASP A 9 1.163 -31.243 19.636 1.00 0.00 H new ATOM 0 HB3 ASP A 9 0.647 -32.796 19.010 1.00 0.00 H new ATOM 167 N GLY A 10 3.858 -34.131 18.355 1.00 0.00 N ATOM 168 CA GLY A 10 4.378 -35.452 18.030 1.00 0.00 C ATOM 169 C GLY A 10 5.890 -35.489 18.220 1.00 0.00 C ATOM 170 O GLY A 10 6.454 -34.689 18.972 1.00 0.00 O ATOM 0 H GLY A 10 4.300 -33.729 19.182 1.00 0.00 H new ATOM 0 HA2 GLY A 10 3.907 -36.202 18.665 1.00 0.00 H new ATOM 0 HA3 GLY A 10 4.128 -35.705 17.000 1.00 0.00 H new ATOM 174 N ARG A 11 6.566 -36.384 17.498 1.00 0.00 N ATOM 175 CA ARG A 11 8.000 -36.276 17.243 1.00 0.00 C ATOM 176 C ARG A 11 8.175 -35.145 16.227 1.00 0.00 C ATOM 177 O ARG A 11 8.272 -35.405 15.026 1.00 0.00 O ATOM 178 CB ARG A 11 8.546 -37.622 16.732 1.00 0.00 C ATOM 179 CG ARG A 11 10.080 -37.629 16.569 1.00 0.00 C ATOM 180 CD ARG A 11 10.522 -38.439 15.342 1.00 0.00 C ATOM 181 NE ARG A 11 10.077 -39.845 15.398 1.00 0.00 N ATOM 182 CZ ARG A 11 9.988 -40.672 14.348 1.00 0.00 C ATOM 183 NH1 ARG A 11 10.351 -40.272 13.132 1.00 0.00 N ATOM 184 NH2 ARG A 11 9.525 -41.906 14.522 1.00 0.00 N ATOM 0 H ARG A 11 6.133 -37.204 17.074 1.00 0.00 H new ATOM 0 HA ARG A 11 8.564 -36.046 18.147 1.00 0.00 H new ATOM 0 HB2 ARG A 11 8.256 -38.412 17.425 1.00 0.00 H new ATOM 0 HB3 ARG A 11 8.083 -37.855 15.773 1.00 0.00 H new ATOM 0 HG2 ARG A 11 10.440 -36.604 16.476 1.00 0.00 H new ATOM 0 HG3 ARG A 11 10.538 -38.048 17.465 1.00 0.00 H new ATOM 0 HD2 ARG A 11 10.125 -37.972 14.441 1.00 0.00 H new ATOM 0 HD3 ARG A 11 11.609 -38.409 15.264 1.00 0.00 H new ATOM 0 HE ARG A 11 9.816 -40.218 16.311 1.00 0.00 H new ATOM 0 HH11 ARG A 11 10.702 -39.325 12.990 1.00 0.00 H new ATOM 0 HH12 ARG A 11 10.278 -40.912 12.341 1.00 0.00 H new ATOM 0 HH21 ARG A 11 9.240 -42.218 15.451 1.00 0.00 H new ATOM 0 HH22 ARG A 11 9.454 -42.541 13.727 1.00 0.00 H new ATOM 198 N VAL A 12 8.138 -33.900 16.692 1.00 0.00 N ATOM 199 CA VAL A 12 8.107 -32.712 15.839 1.00 0.00 C ATOM 200 C VAL A 12 9.161 -31.685 16.285 1.00 0.00 C ATOM 201 O VAL A 12 9.056 -30.508 15.946 1.00 0.00 O ATOM 202 CB VAL A 12 6.671 -32.141 15.763 1.00 0.00 C ATOM 203 CG1 VAL A 12 5.688 -33.161 15.167 1.00 0.00 C ATOM 204 CG2 VAL A 12 6.130 -31.652 17.117 1.00 0.00 C ATOM 0 H VAL A 12 8.128 -33.682 17.688 1.00 0.00 H new ATOM 0 HA VAL A 12 8.381 -32.990 14.821 1.00 0.00 H new ATOM 0 HB VAL A 12 6.748 -31.274 15.106 1.00 0.00 H new ATOM 0 HG11 VAL A 12 4.690 -32.725 15.129 1.00 0.00 H new ATOM 0 HG12 VAL A 12 6.006 -33.427 14.159 1.00 0.00 H new ATOM 0 HG13 VAL A 12 5.670 -34.056 15.790 1.00 0.00 H new ATOM 0 HG21 VAL A 12 5.119 -31.265 16.987 1.00 0.00 H new ATOM 0 HG22 VAL A 12 6.113 -32.482 17.823 1.00 0.00 H new ATOM 0 HG23 VAL A 12 6.774 -30.861 17.502 1.00 0.00 H new ATOM 214 N GLN A 13 10.172 -32.114 17.050 1.00 0.00 N ATOM 215 CA GLN A 13 11.289 -31.279 17.480 1.00 0.00 C ATOM 216 C GLN A 13 12.575 -32.084 17.322 1.00 0.00 C ATOM 217 O GLN A 13 12.564 -33.300 17.544 1.00 0.00 O ATOM 218 CB GLN A 13 11.139 -30.852 18.951 1.00 0.00 C ATOM 219 CG GLN A 13 9.747 -30.325 19.324 1.00 0.00 C ATOM 220 CD GLN A 13 9.787 -29.458 20.582 1.00 0.00 C ATOM 221 OE1 GLN A 13 10.277 -29.865 21.633 1.00 0.00 O ATOM 222 NE2 GLN A 13 9.285 -28.239 20.493 1.00 0.00 N ATOM 0 H GLN A 13 10.233 -33.073 17.392 1.00 0.00 H new ATOM 0 HA GLN A 13 11.311 -30.377 16.868 1.00 0.00 H new ATOM 0 HB2 GLN A 13 11.373 -31.704 19.589 1.00 0.00 H new ATOM 0 HB3 GLN A 13 11.876 -30.079 19.168 1.00 0.00 H new ATOM 0 HG2 GLN A 13 9.344 -29.744 18.495 1.00 0.00 H new ATOM 0 HG3 GLN A 13 9.071 -31.165 19.483 1.00 0.00 H new ATOM 0 HE21 GLN A 13 8.882 -27.916 19.613 1.00 0.00 H new ATOM 0 HE22 GLN A 13 9.301 -27.621 21.304 1.00 0.00 H new ATOM 231 N GLY A 14 13.681 -31.422 16.993 1.00 0.00 N ATOM 232 CA GLY A 14 14.945 -32.084 16.720 1.00 0.00 C ATOM 233 C GLY A 14 14.847 -32.959 15.469 1.00 0.00 C ATOM 234 O GLY A 14 15.478 -34.019 15.415 1.00 0.00 O ATOM 0 H GLY A 14 13.722 -30.406 16.909 1.00 0.00 H new ATOM 0 HA2 GLY A 14 15.729 -31.338 16.586 1.00 0.00 H new ATOM 0 HA3 GLY A 14 15.231 -32.697 17.575 1.00 0.00 H new ATOM 238 N VAL A 15 14.045 -32.548 14.486 1.00 0.00 N ATOM 239 CA VAL A 15 13.761 -33.293 13.258 1.00 0.00 C ATOM 240 C VAL A 15 13.865 -32.386 12.022 1.00 0.00 C ATOM 241 O VAL A 15 13.681 -32.863 10.900 1.00 0.00 O ATOM 242 CB VAL A 15 12.396 -34.017 13.357 1.00 0.00 C ATOM 243 CG1 VAL A 15 12.428 -35.170 14.372 1.00 0.00 C ATOM 244 CG2 VAL A 15 11.234 -33.077 13.697 1.00 0.00 C ATOM 0 H VAL A 15 13.557 -31.653 14.524 1.00 0.00 H new ATOM 0 HA VAL A 15 14.520 -34.066 13.138 1.00 0.00 H new ATOM 0 HB VAL A 15 12.220 -34.420 12.360 1.00 0.00 H new ATOM 0 HG11 VAL A 15 11.450 -35.650 14.409 1.00 0.00 H new ATOM 0 HG12 VAL A 15 13.179 -35.900 14.070 1.00 0.00 H new ATOM 0 HG13 VAL A 15 12.678 -34.780 15.358 1.00 0.00 H new ATOM 0 HG21 VAL A 15 10.307 -33.649 13.751 1.00 0.00 H new ATOM 0 HG22 VAL A 15 11.422 -32.599 14.658 1.00 0.00 H new ATOM 0 HG23 VAL A 15 11.145 -32.314 12.924 1.00 0.00 H new ATOM 254 N GLY A 16 14.188 -31.104 12.195 1.00 0.00 N ATOM 255 CA GLY A 16 14.298 -30.143 11.118 1.00 0.00 C ATOM 256 C GLY A 16 12.929 -29.550 10.807 1.00 0.00 C ATOM 257 O GLY A 16 12.710 -29.144 9.665 1.00 0.00 O ATOM 0 H GLY A 16 14.383 -30.704 13.113 1.00 0.00 H new ATOM 0 HA2 GLY A 16 14.992 -29.350 11.397 1.00 0.00 H new ATOM 0 HA3 GLY A 16 14.705 -30.625 10.229 1.00 0.00 H new ATOM 261 N PHE A 17 11.989 -29.543 11.759 1.00 0.00 N ATOM 262 CA PHE A 17 10.619 -29.135 11.493 1.00 0.00 C ATOM 263 C PHE A 17 10.585 -27.666 11.073 1.00 0.00 C ATOM 264 O PHE A 17 9.964 -27.341 10.059 1.00 0.00 O ATOM 265 CB PHE A 17 9.706 -29.408 12.699 1.00 0.00 C ATOM 266 CG PHE A 17 8.266 -29.691 12.308 1.00 0.00 C ATOM 267 CD1 PHE A 17 7.443 -28.665 11.806 1.00 0.00 C ATOM 268 CD2 PHE A 17 7.747 -30.993 12.424 1.00 0.00 C ATOM 269 CE1 PHE A 17 6.120 -28.943 11.414 1.00 0.00 C ATOM 270 CE2 PHE A 17 6.426 -31.272 12.035 1.00 0.00 C ATOM 271 CZ PHE A 17 5.613 -30.249 11.521 1.00 0.00 C ATOM 0 H PHE A 17 12.162 -29.819 12.726 1.00 0.00 H new ATOM 0 HA PHE A 17 10.231 -29.734 10.669 1.00 0.00 H new ATOM 0 HB2 PHE A 17 10.098 -30.258 13.258 1.00 0.00 H new ATOM 0 HB3 PHE A 17 9.732 -28.548 13.368 1.00 0.00 H new ATOM 0 HD1 PHE A 17 7.829 -27.660 11.721 1.00 0.00 H new ATOM 0 HD2 PHE A 17 8.369 -31.785 12.815 1.00 0.00 H new ATOM 0 HE1 PHE A 17 5.494 -28.151 11.030 1.00 0.00 H new ATOM 0 HE2 PHE A 17 6.036 -32.274 12.131 1.00 0.00 H new ATOM 0 HZ PHE A 17 4.602 -30.465 11.209 1.00 0.00 H new ATOM 281 N ARG A 18 11.289 -26.776 11.782 1.00 0.00 N ATOM 282 CA ARG A 18 11.364 -25.360 11.399 1.00 0.00 C ATOM 283 C ARG A 18 11.886 -25.192 9.973 1.00 0.00 C ATOM 284 O ARG A 18 11.299 -24.436 9.199 1.00 0.00 O ATOM 285 CB ARG A 18 12.248 -24.602 12.401 1.00 0.00 C ATOM 286 CG ARG A 18 11.473 -24.260 13.680 1.00 0.00 C ATOM 287 CD ARG A 18 12.404 -23.837 14.823 1.00 0.00 C ATOM 288 NE ARG A 18 13.013 -24.995 15.500 1.00 0.00 N ATOM 289 CZ ARG A 18 13.718 -24.950 16.632 1.00 0.00 C ATOM 290 NH1 ARG A 18 14.004 -23.780 17.208 1.00 0.00 N ATOM 291 NH2 ARG A 18 14.121 -26.073 17.204 1.00 0.00 N ATOM 0 H ARG A 18 11.815 -27.010 12.624 1.00 0.00 H new ATOM 0 HA ARG A 18 10.358 -24.941 11.423 1.00 0.00 H new ATOM 0 HB2 ARG A 18 13.119 -25.208 12.652 1.00 0.00 H new ATOM 0 HB3 ARG A 18 12.619 -23.686 11.942 1.00 0.00 H new ATOM 0 HG2 ARG A 18 10.767 -23.456 13.472 1.00 0.00 H new ATOM 0 HG3 ARG A 18 10.888 -25.125 13.991 1.00 0.00 H new ATOM 0 HD2 ARG A 18 13.190 -23.193 14.430 1.00 0.00 H new ATOM 0 HD3 ARG A 18 11.842 -23.248 15.548 1.00 0.00 H new ATOM 0 HE ARG A 18 12.885 -25.909 15.066 1.00 0.00 H new ATOM 0 HH11 ARG A 18 13.683 -22.910 16.783 1.00 0.00 H new ATOM 0 HH12 ARG A 18 14.544 -23.756 18.073 1.00 0.00 H new ATOM 0 HH21 ARG A 18 13.893 -26.972 16.780 1.00 0.00 H new ATOM 0 HH22 ARG A 18 14.660 -26.040 18.069 1.00 0.00 H new ATOM 305 N TYR A 19 12.960 -25.895 9.611 1.00 0.00 N ATOM 306 CA TYR A 19 13.561 -25.781 8.286 1.00 0.00 C ATOM 307 C TYR A 19 12.626 -26.346 7.214 1.00 0.00 C ATOM 308 O TYR A 19 12.462 -25.731 6.162 1.00 0.00 O ATOM 309 CB TYR A 19 14.924 -26.489 8.289 1.00 0.00 C ATOM 310 CG TYR A 19 15.711 -26.404 6.992 1.00 0.00 C ATOM 311 CD1 TYR A 19 15.934 -25.159 6.369 1.00 0.00 C ATOM 312 CD2 TYR A 19 16.265 -27.572 6.429 1.00 0.00 C ATOM 313 CE1 TYR A 19 16.692 -25.079 5.187 1.00 0.00 C ATOM 314 CE2 TYR A 19 17.030 -27.498 5.251 1.00 0.00 C ATOM 315 CZ TYR A 19 17.248 -26.250 4.623 1.00 0.00 C ATOM 316 OH TYR A 19 18.004 -26.190 3.490 1.00 0.00 O ATOM 0 H TYR A 19 13.434 -26.556 10.226 1.00 0.00 H new ATOM 0 HA TYR A 19 13.718 -24.730 8.044 1.00 0.00 H new ATOM 0 HB2 TYR A 19 15.531 -26.066 9.090 1.00 0.00 H new ATOM 0 HB3 TYR A 19 14.767 -27.540 8.529 1.00 0.00 H new ATOM 0 HD1 TYR A 19 15.520 -24.261 6.802 1.00 0.00 H new ATOM 0 HD2 TYR A 19 16.101 -28.528 6.904 1.00 0.00 H new ATOM 0 HE1 TYR A 19 16.849 -24.123 4.710 1.00 0.00 H new ATOM 0 HE2 TYR A 19 17.452 -28.396 4.825 1.00 0.00 H new ATOM 0 HH TYR A 19 18.303 -27.091 3.248 1.00 0.00 H new ATOM 326 N PHE A 20 11.963 -27.475 7.485 1.00 0.00 N ATOM 327 CA PHE A 20 10.969 -28.052 6.591 1.00 0.00 C ATOM 328 C PHE A 20 9.858 -27.037 6.325 1.00 0.00 C ATOM 329 O PHE A 20 9.581 -26.734 5.167 1.00 0.00 O ATOM 330 CB PHE A 20 10.424 -29.358 7.189 1.00 0.00 C ATOM 331 CG PHE A 20 9.217 -29.922 6.462 1.00 0.00 C ATOM 332 CD1 PHE A 20 9.383 -30.619 5.249 1.00 0.00 C ATOM 333 CD2 PHE A 20 7.923 -29.740 6.991 1.00 0.00 C ATOM 334 CE1 PHE A 20 8.265 -31.145 4.579 1.00 0.00 C ATOM 335 CE2 PHE A 20 6.804 -30.257 6.314 1.00 0.00 C ATOM 336 CZ PHE A 20 6.975 -30.968 5.113 1.00 0.00 C ATOM 0 H PHE A 20 12.106 -28.014 8.339 1.00 0.00 H new ATOM 0 HA PHE A 20 11.430 -28.295 5.634 1.00 0.00 H new ATOM 0 HB2 PHE A 20 11.218 -30.105 7.185 1.00 0.00 H new ATOM 0 HB3 PHE A 20 10.157 -29.183 8.231 1.00 0.00 H new ATOM 0 HD1 PHE A 20 10.371 -30.749 4.833 1.00 0.00 H new ATOM 0 HD2 PHE A 20 7.791 -29.202 7.918 1.00 0.00 H new ATOM 0 HE1 PHE A 20 8.396 -31.686 3.653 1.00 0.00 H new ATOM 0 HE2 PHE A 20 5.813 -30.108 6.717 1.00 0.00 H new ATOM 0 HZ PHE A 20 6.117 -31.378 4.601 1.00 0.00 H new ATOM 346 N VAL A 21 9.267 -26.460 7.373 1.00 0.00 N ATOM 347 CA VAL A 21 8.205 -25.474 7.229 1.00 0.00 C ATOM 348 C VAL A 21 8.713 -24.259 6.443 1.00 0.00 C ATOM 349 O VAL A 21 7.994 -23.767 5.575 1.00 0.00 O ATOM 350 CB VAL A 21 7.649 -25.108 8.619 1.00 0.00 C ATOM 351 CG1 VAL A 21 6.615 -23.982 8.555 1.00 0.00 C ATOM 352 CG2 VAL A 21 6.939 -26.310 9.257 1.00 0.00 C ATOM 0 H VAL A 21 9.513 -26.665 8.341 1.00 0.00 H new ATOM 0 HA VAL A 21 7.379 -25.890 6.653 1.00 0.00 H new ATOM 0 HB VAL A 21 8.512 -24.792 9.205 1.00 0.00 H new ATOM 0 HG11 VAL A 21 6.254 -23.762 9.560 1.00 0.00 H new ATOM 0 HG12 VAL A 21 7.075 -23.089 8.131 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.778 -24.292 7.929 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.555 -26.028 10.237 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.112 -26.624 8.620 1.00 0.00 H new ATOM 0 HG23 VAL A 21 7.645 -27.133 9.367 1.00 0.00 H new ATOM 362 N GLN A 22 9.946 -23.802 6.687 1.00 0.00 N ATOM 363 CA GLN A 22 10.523 -22.678 5.961 1.00 0.00 C ATOM 364 C GLN A 22 10.579 -22.988 4.459 1.00 0.00 C ATOM 365 O GLN A 22 10.192 -22.147 3.650 1.00 0.00 O ATOM 366 CB GLN A 22 11.911 -22.348 6.540 1.00 0.00 C ATOM 367 CG GLN A 22 12.492 -21.045 5.969 1.00 0.00 C ATOM 368 CD GLN A 22 13.901 -20.739 6.484 1.00 0.00 C ATOM 369 OE1 GLN A 22 14.773 -21.603 6.527 1.00 0.00 O ATOM 370 NE2 GLN A 22 14.163 -19.500 6.872 1.00 0.00 N ATOM 0 H GLN A 22 10.566 -24.203 7.391 1.00 0.00 H new ATOM 0 HA GLN A 22 9.894 -21.796 6.082 1.00 0.00 H new ATOM 0 HB2 GLN A 22 11.838 -22.265 7.624 1.00 0.00 H new ATOM 0 HB3 GLN A 22 12.594 -23.170 6.328 1.00 0.00 H new ATOM 0 HG2 GLN A 22 12.516 -21.111 4.881 1.00 0.00 H new ATOM 0 HG3 GLN A 22 11.831 -20.217 6.224 1.00 0.00 H new ATOM 0 HE21 GLN A 22 13.433 -18.788 6.833 1.00 0.00 H new ATOM 0 HE22 GLN A 22 15.094 -19.258 7.210 1.00 0.00 H new ATOM 379 N MET A 23 11.019 -24.189 4.072 1.00 0.00 N ATOM 380 CA MET A 23 11.107 -24.560 2.662 1.00 0.00 C ATOM 381 C MET A 23 9.718 -24.768 2.054 1.00 0.00 C ATOM 382 O MET A 23 9.500 -24.388 0.904 1.00 0.00 O ATOM 383 CB MET A 23 11.936 -25.841 2.492 1.00 0.00 C ATOM 384 CG MET A 23 13.418 -25.631 2.821 1.00 0.00 C ATOM 385 SD MET A 23 14.463 -27.091 2.541 1.00 0.00 S ATOM 386 CE MET A 23 13.853 -28.188 3.850 1.00 0.00 C ATOM 0 H MET A 23 11.319 -24.919 4.718 1.00 0.00 H new ATOM 0 HA MET A 23 11.597 -23.739 2.138 1.00 0.00 H new ATOM 0 HB2 MET A 23 11.531 -26.620 3.138 1.00 0.00 H new ATOM 0 HB3 MET A 23 11.842 -26.197 1.466 1.00 0.00 H new ATOM 0 HG2 MET A 23 13.798 -24.806 2.218 1.00 0.00 H new ATOM 0 HG3 MET A 23 13.507 -25.330 3.865 1.00 0.00 H new ATOM 0 HE1 MET A 23 14.507 -29.056 3.932 1.00 0.00 H new ATOM 0 HE2 MET A 23 13.842 -27.651 4.799 1.00 0.00 H new ATOM 0 HE3 MET A 23 12.842 -28.517 3.608 1.00 0.00 H new ATOM 396 N GLU A 24 8.763 -25.337 2.794 1.00 0.00 N ATOM 397 CA GLU A 24 7.414 -25.544 2.288 1.00 0.00 C ATOM 398 C GLU A 24 6.698 -24.204 2.090 1.00 0.00 C ATOM 399 O GLU A 24 5.948 -24.051 1.125 1.00 0.00 O ATOM 400 CB GLU A 24 6.629 -26.475 3.224 1.00 0.00 C ATOM 401 CG GLU A 24 7.113 -27.936 3.198 1.00 0.00 C ATOM 402 CD GLU A 24 7.021 -28.569 1.801 1.00 0.00 C ATOM 403 OE1 GLU A 24 7.975 -28.448 0.999 1.00 0.00 O ATOM 404 OE2 GLU A 24 5.968 -29.149 1.455 1.00 0.00 O ATOM 0 H GLU A 24 8.906 -25.662 3.750 1.00 0.00 H new ATOM 0 HA GLU A 24 7.475 -26.028 1.313 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.703 -26.096 4.243 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.575 -26.447 2.949 1.00 0.00 H new ATOM 0 HG2 GLU A 24 8.146 -27.978 3.544 1.00 0.00 H new ATOM 0 HG3 GLU A 24 6.519 -28.523 3.898 1.00 0.00 H new ATOM 411 N ALA A 25 6.966 -23.218 2.952 1.00 0.00 N ATOM 412 CA ALA A 25 6.506 -21.853 2.758 1.00 0.00 C ATOM 413 C ALA A 25 7.184 -21.238 1.534 1.00 0.00 C ATOM 414 O ALA A 25 6.513 -20.581 0.735 1.00 0.00 O ATOM 415 CB ALA A 25 6.796 -21.022 4.012 1.00 0.00 C ATOM 0 H ALA A 25 7.510 -23.352 3.804 1.00 0.00 H new ATOM 0 HA ALA A 25 5.430 -21.859 2.587 1.00 0.00 H new ATOM 0 HB1 ALA A 25 6.449 -20.000 3.860 1.00 0.00 H new ATOM 0 HB2 ALA A 25 6.277 -21.458 4.866 1.00 0.00 H new ATOM 0 HB3 ALA A 25 7.869 -21.016 4.204 1.00 0.00 H new ATOM 421 N ASP A 26 8.491 -21.465 1.363 1.00 0.00 N ATOM 422 CA ASP A 26 9.278 -20.887 0.281 1.00 0.00 C ATOM 423 C ASP A 26 8.757 -21.356 -1.071 1.00 0.00 C ATOM 424 O ASP A 26 8.459 -20.535 -1.933 1.00 0.00 O ATOM 425 CB ASP A 26 10.764 -21.253 0.399 1.00 0.00 C ATOM 426 CG ASP A 26 11.568 -20.573 -0.722 1.00 0.00 C ATOM 427 OD1 ASP A 26 11.560 -19.324 -0.806 1.00 0.00 O ATOM 428 OD2 ASP A 26 12.214 -21.285 -1.522 1.00 0.00 O ATOM 0 H ASP A 26 9.035 -22.065 1.984 1.00 0.00 H new ATOM 0 HA ASP A 26 9.179 -19.804 0.360 1.00 0.00 H new ATOM 0 HB2 ASP A 26 11.147 -20.942 1.371 1.00 0.00 H new ATOM 0 HB3 ASP A 26 10.886 -22.335 0.339 1.00 0.00 H new ATOM 433 N LYS A 27 8.552 -22.665 -1.249 1.00 0.00 N ATOM 434 CA LYS A 27 8.071 -23.209 -2.523 1.00 0.00 C ATOM 435 C LYS A 27 6.616 -22.835 -2.826 1.00 0.00 C ATOM 436 O LYS A 27 6.109 -23.161 -3.902 1.00 0.00 O ATOM 437 CB LYS A 27 8.392 -24.715 -2.634 1.00 0.00 C ATOM 438 CG LYS A 27 7.627 -25.661 -1.693 1.00 0.00 C ATOM 439 CD LYS A 27 6.284 -26.134 -2.271 1.00 0.00 C ATOM 440 CE LYS A 27 5.538 -27.095 -1.335 1.00 0.00 C ATOM 441 NZ LYS A 27 6.231 -28.395 -1.175 1.00 0.00 N ATOM 0 H LYS A 27 8.712 -23.367 -0.527 1.00 0.00 H new ATOM 0 HA LYS A 27 8.626 -22.725 -3.327 1.00 0.00 H new ATOM 0 HB2 LYS A 27 8.199 -25.028 -3.660 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.459 -24.848 -2.455 1.00 0.00 H new ATOM 0 HG2 LYS A 27 8.249 -26.530 -1.478 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.449 -25.154 -0.745 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.654 -25.267 -2.471 1.00 0.00 H new ATOM 0 HD3 LYS A 27 6.459 -26.628 -3.227 1.00 0.00 H new ATOM 0 HE2 LYS A 27 5.424 -26.627 -0.357 1.00 0.00 H new ATOM 0 HE3 LYS A 27 4.535 -27.269 -1.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 5.770 -28.944 -0.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 6.184 -28.926 -2.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 7.226 -28.229 -0.923 1.00 0.00 H new ATOM 455 N ARG A 28 5.911 -22.169 -1.905 1.00 0.00 N ATOM 456 CA ARG A 28 4.581 -21.598 -2.099 1.00 0.00 C ATOM 457 C ARG A 28 4.604 -20.061 -2.035 1.00 0.00 C ATOM 458 O ARG A 28 3.538 -19.453 -2.125 1.00 0.00 O ATOM 459 CB ARG A 28 3.646 -22.190 -1.026 1.00 0.00 C ATOM 460 CG ARG A 28 3.275 -23.682 -1.127 1.00 0.00 C ATOM 461 CD ARG A 28 2.538 -24.106 -2.409 1.00 0.00 C ATOM 462 NE ARG A 28 3.436 -24.161 -3.577 1.00 0.00 N ATOM 463 CZ ARG A 28 3.177 -24.672 -4.785 1.00 0.00 C ATOM 464 NH1 ARG A 28 2.005 -25.238 -5.056 1.00 0.00 N ATOM 465 NH2 ARG A 28 4.127 -24.598 -5.711 1.00 0.00 N ATOM 0 H ARG A 28 6.271 -22.008 -0.964 1.00 0.00 H new ATOM 0 HA ARG A 28 4.216 -21.854 -3.094 1.00 0.00 H new ATOM 0 HB2 ARG A 28 4.110 -22.027 -0.053 1.00 0.00 H new ATOM 0 HB3 ARG A 28 2.720 -21.615 -1.037 1.00 0.00 H new ATOM 0 HG2 ARG A 28 4.189 -24.270 -1.045 1.00 0.00 H new ATOM 0 HG3 ARG A 28 2.652 -23.940 -0.271 1.00 0.00 H new ATOM 0 HD2 ARG A 28 2.082 -25.085 -2.257 1.00 0.00 H new ATOM 0 HD3 ARG A 28 1.728 -23.405 -2.609 1.00 0.00 H new ATOM 0 HE ARG A 28 4.366 -23.762 -3.448 1.00 0.00 H new ATOM 0 HH11 ARG A 28 1.284 -25.288 -4.336 1.00 0.00 H new ATOM 0 HH12 ARG A 28 1.827 -25.622 -5.984 1.00 0.00 H new ATOM 0 HH21 ARG A 28 5.022 -24.161 -5.490 1.00 0.00 H new ATOM 0 HH22 ARG A 28 3.962 -24.978 -6.643 1.00 0.00 H new ATOM 479 N LYS A 29 5.779 -19.424 -1.903 1.00 0.00 N ATOM 480 CA LYS A 29 5.947 -17.982 -1.666 1.00 0.00 C ATOM 481 C LYS A 29 4.960 -17.450 -0.610 1.00 0.00 C ATOM 482 O LYS A 29 4.421 -16.350 -0.755 1.00 0.00 O ATOM 483 CB LYS A 29 5.901 -17.202 -2.999 1.00 0.00 C ATOM 484 CG LYS A 29 6.993 -17.531 -4.038 1.00 0.00 C ATOM 485 CD LYS A 29 8.393 -16.965 -3.731 1.00 0.00 C ATOM 486 CE LYS A 29 9.221 -17.890 -2.831 1.00 0.00 C ATOM 487 NZ LYS A 29 10.584 -17.381 -2.551 1.00 0.00 N ATOM 0 H LYS A 29 6.670 -19.917 -1.961 1.00 0.00 H new ATOM 0 HA LYS A 29 6.937 -17.818 -1.240 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.929 -17.377 -3.461 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.959 -16.138 -2.771 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.070 -18.615 -4.128 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.672 -17.153 -5.009 1.00 0.00 H new ATOM 0 HD2 LYS A 29 8.928 -16.802 -4.667 1.00 0.00 H new ATOM 0 HD3 LYS A 29 8.290 -15.993 -3.249 1.00 0.00 H new ATOM 0 HE2 LYS A 29 8.694 -18.032 -1.887 1.00 0.00 H new ATOM 0 HE3 LYS A 29 9.298 -18.869 -3.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 11.069 -18.029 -1.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 11.121 -17.319 -3.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 10.520 -16.437 -2.119 1.00 0.00 H new ATOM 501 N LEU A 30 4.702 -18.229 0.446 1.00 0.00 N ATOM 502 CA LEU A 30 3.955 -17.755 1.604 1.00 0.00 C ATOM 503 C LEU A 30 4.808 -16.731 2.356 1.00 0.00 C ATOM 504 O LEU A 30 6.025 -16.655 2.164 1.00 0.00 O ATOM 505 CB LEU A 30 3.590 -18.932 2.527 1.00 0.00 C ATOM 506 CG LEU A 30 2.627 -19.963 1.914 1.00 0.00 C ATOM 507 CD1 LEU A 30 2.364 -21.094 2.908 1.00 0.00 C ATOM 508 CD2 LEU A 30 1.285 -19.364 1.489 1.00 0.00 C ATOM 0 H LEU A 30 5.006 -19.200 0.517 1.00 0.00 H new ATOM 0 HA LEU A 30 3.028 -17.287 1.274 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.507 -19.443 2.820 1.00 0.00 H new ATOM 0 HB3 LEU A 30 3.142 -18.535 3.438 1.00 0.00 H new ATOM 0 HG LEU A 30 3.120 -20.338 1.017 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.681 -21.818 2.463 1.00 0.00 H new ATOM 0 HD12 LEU A 30 3.304 -21.587 3.156 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.919 -20.685 3.815 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.655 -20.146 1.065 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.789 -18.929 2.357 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.453 -18.589 0.741 1.00 0.00 H new ATOM 520 N ALA A 31 4.176 -15.984 3.257 1.00 0.00 N ATOM 521 CA ALA A 31 4.833 -15.082 4.196 1.00 0.00 C ATOM 522 C ALA A 31 4.279 -15.374 5.593 1.00 0.00 C ATOM 523 O ALA A 31 3.199 -15.955 5.694 1.00 0.00 O ATOM 524 CB ALA A 31 4.574 -13.640 3.763 1.00 0.00 C ATOM 0 H ALA A 31 3.161 -15.991 3.356 1.00 0.00 H new ATOM 0 HA ALA A 31 5.913 -15.230 4.212 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.062 -12.958 4.459 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.974 -13.483 2.761 1.00 0.00 H new ATOM 0 HB3 ALA A 31 3.501 -13.449 3.759 1.00 0.00 H new ATOM 530 N GLY A 32 5.001 -15.039 6.663 1.00 0.00 N ATOM 531 CA GLY A 32 4.614 -15.432 8.015 1.00 0.00 C ATOM 532 C GLY A 32 5.822 -15.851 8.845 1.00 0.00 C ATOM 533 O GLY A 32 6.941 -15.389 8.609 1.00 0.00 O ATOM 0 H GLY A 32 5.861 -14.493 6.617 1.00 0.00 H new ATOM 0 HA2 GLY A 32 4.106 -14.601 8.505 1.00 0.00 H new ATOM 0 HA3 GLY A 32 3.902 -16.256 7.965 1.00 0.00 H new ATOM 537 N TRP A 33 5.614 -16.731 9.824 1.00 0.00 N ATOM 538 CA TRP A 33 6.688 -17.267 10.635 1.00 0.00 C ATOM 539 C TRP A 33 6.396 -18.679 11.150 1.00 0.00 C ATOM 540 O TRP A 33 5.251 -19.138 11.141 1.00 0.00 O ATOM 541 CB TRP A 33 7.006 -16.289 11.783 1.00 0.00 C ATOM 542 CG TRP A 33 5.837 -15.848 12.617 1.00 0.00 C ATOM 543 CD1 TRP A 33 5.190 -14.667 12.494 1.00 0.00 C ATOM 544 CD2 TRP A 33 5.135 -16.567 13.678 1.00 0.00 C ATOM 545 NE1 TRP A 33 4.148 -14.603 13.393 1.00 0.00 N ATOM 546 CE2 TRP A 33 4.053 -15.757 14.141 1.00 0.00 C ATOM 547 CE3 TRP A 33 5.296 -17.827 14.291 1.00 0.00 C ATOM 548 CZ2 TRP A 33 3.166 -16.189 15.141 1.00 0.00 C ATOM 549 CZ3 TRP A 33 4.408 -18.274 15.285 1.00 0.00 C ATOM 550 CH2 TRP A 33 3.342 -17.461 15.710 1.00 0.00 C ATOM 0 H TRP A 33 4.691 -17.088 10.071 1.00 0.00 H new ATOM 0 HA TRP A 33 7.570 -17.367 10.002 1.00 0.00 H new ATOM 0 HB2 TRP A 33 7.739 -16.757 12.440 1.00 0.00 H new ATOM 0 HB3 TRP A 33 7.478 -15.403 11.358 1.00 0.00 H new ATOM 0 HD1 TRP A 33 5.452 -13.888 11.793 1.00 0.00 H new ATOM 0 HE1 TRP A 33 3.525 -13.802 13.493 1.00 0.00 H new ATOM 0 HE3 TRP A 33 6.117 -18.461 13.991 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 2.359 -15.551 15.468 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 4.546 -19.250 15.726 1.00 0.00 H new ATOM 0 HH2 TRP A 33 2.661 -17.813 16.471 1.00 0.00 H new ATOM 561 N VAL A 34 7.436 -19.341 11.663 1.00 0.00 N ATOM 562 CA VAL A 34 7.359 -20.623 12.365 1.00 0.00 C ATOM 563 C VAL A 34 8.224 -20.545 13.622 1.00 0.00 C ATOM 564 O VAL A 34 9.281 -19.912 13.601 1.00 0.00 O ATOM 565 CB VAL A 34 7.782 -21.781 11.429 1.00 0.00 C ATOM 566 CG1 VAL A 34 9.205 -21.647 10.862 1.00 0.00 C ATOM 567 CG2 VAL A 34 7.661 -23.151 12.115 1.00 0.00 C ATOM 0 H VAL A 34 8.390 -18.985 11.598 1.00 0.00 H new ATOM 0 HA VAL A 34 6.332 -20.829 12.666 1.00 0.00 H new ATOM 0 HB VAL A 34 7.082 -21.712 10.596 1.00 0.00 H new ATOM 0 HG11 VAL A 34 9.421 -22.499 10.217 1.00 0.00 H new ATOM 0 HG12 VAL A 34 9.281 -20.726 10.284 1.00 0.00 H new ATOM 0 HG13 VAL A 34 9.923 -21.621 11.682 1.00 0.00 H new ATOM 0 HG21 VAL A 34 7.968 -23.934 11.421 1.00 0.00 H new ATOM 0 HG22 VAL A 34 8.303 -23.175 12.996 1.00 0.00 H new ATOM 0 HG23 VAL A 34 6.626 -23.318 12.415 1.00 0.00 H new ATOM 577 N LYS A 35 7.814 -21.225 14.695 1.00 0.00 N ATOM 578 CA LYS A 35 8.635 -21.452 15.881 1.00 0.00 C ATOM 579 C LYS A 35 8.355 -22.849 16.420 1.00 0.00 C ATOM 580 O LYS A 35 7.311 -23.439 16.126 1.00 0.00 O ATOM 581 CB LYS A 35 8.384 -20.354 16.930 1.00 0.00 C ATOM 582 CG LYS A 35 6.974 -20.360 17.541 1.00 0.00 C ATOM 583 CD LYS A 35 6.773 -19.095 18.381 1.00 0.00 C ATOM 584 CE LYS A 35 5.381 -19.064 19.016 1.00 0.00 C ATOM 585 NZ LYS A 35 5.116 -17.775 19.697 1.00 0.00 N ATOM 0 H LYS A 35 6.885 -21.640 14.763 1.00 0.00 H new ATOM 0 HA LYS A 35 9.692 -21.396 15.622 1.00 0.00 H new ATOM 0 HB2 LYS A 35 9.113 -20.464 17.733 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.561 -19.382 16.469 1.00 0.00 H new ATOM 0 HG2 LYS A 35 6.225 -20.407 16.751 1.00 0.00 H new ATOM 0 HG3 LYS A 35 6.839 -21.246 18.161 1.00 0.00 H new ATOM 0 HD2 LYS A 35 7.532 -19.050 19.162 1.00 0.00 H new ATOM 0 HD3 LYS A 35 6.908 -18.214 17.754 1.00 0.00 H new ATOM 0 HE2 LYS A 35 4.627 -19.231 18.247 1.00 0.00 H new ATOM 0 HE3 LYS A 35 5.290 -19.880 19.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 4.199 -17.823 20.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 5.869 -17.587 20.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 5.094 -17.009 18.994 1.00 0.00 H new ATOM 599 N ASN A 36 9.275 -23.368 17.230 1.00 0.00 N ATOM 600 CA ASN A 36 9.161 -24.692 17.826 1.00 0.00 C ATOM 601 C ASN A 36 9.311 -24.508 19.331 1.00 0.00 C ATOM 602 O ASN A 36 10.349 -24.041 19.803 1.00 0.00 O ATOM 603 CB ASN A 36 10.187 -25.657 17.208 1.00 0.00 C ATOM 604 CG ASN A 36 9.679 -27.091 17.189 1.00 0.00 C ATOM 605 OD1 ASN A 36 8.722 -27.421 17.884 1.00 0.00 O ATOM 606 ND2 ASN A 36 10.256 -27.953 16.375 1.00 0.00 N ATOM 0 H ASN A 36 10.128 -22.874 17.492 1.00 0.00 H new ATOM 0 HA ASN A 36 8.194 -25.153 17.623 1.00 0.00 H new ATOM 0 HB2 ASN A 36 10.416 -25.340 16.191 1.00 0.00 H new ATOM 0 HB3 ASN A 36 11.117 -25.609 17.774 1.00 0.00 H new ATOM 0 HD21 ASN A 36 9.908 -28.910 16.316 1.00 0.00 H new ATOM 0 HD22 ASN A 36 11.050 -27.663 15.804 1.00 0.00 H new ATOM 613 N ARG A 37 8.217 -24.720 20.058 1.00 0.00 N ATOM 614 CA ARG A 37 7.969 -24.125 21.369 1.00 0.00 C ATOM 615 C ARG A 37 8.600 -24.968 22.470 1.00 0.00 C ATOM 616 O ARG A 37 8.743 -26.184 22.327 1.00 0.00 O ATOM 617 CB ARG A 37 6.448 -24.046 21.585 1.00 0.00 C ATOM 618 CG ARG A 37 5.701 -23.159 20.570 1.00 0.00 C ATOM 619 CD ARG A 37 4.192 -23.445 20.533 1.00 0.00 C ATOM 620 NE ARG A 37 3.578 -23.564 21.865 1.00 0.00 N ATOM 621 CZ ARG A 37 2.773 -22.679 22.470 1.00 0.00 C ATOM 622 NH1 ARG A 37 2.451 -21.513 21.913 1.00 0.00 N ATOM 623 NH2 ARG A 37 2.280 -22.982 23.664 1.00 0.00 N ATOM 0 H ARG A 37 7.459 -25.326 19.744 1.00 0.00 H new ATOM 0 HA ARG A 37 8.412 -23.130 21.407 1.00 0.00 H new ATOM 0 HB2 ARG A 37 6.035 -25.054 21.540 1.00 0.00 H new ATOM 0 HB3 ARG A 37 6.256 -23.667 22.589 1.00 0.00 H new ATOM 0 HG2 ARG A 37 5.862 -22.111 20.821 1.00 0.00 H new ATOM 0 HG3 ARG A 37 6.121 -23.317 19.577 1.00 0.00 H new ATOM 0 HD2 ARG A 37 3.694 -22.647 19.983 1.00 0.00 H new ATOM 0 HD3 ARG A 37 4.020 -24.368 19.980 1.00 0.00 H new ATOM 0 HE ARG A 37 3.788 -24.415 22.386 1.00 0.00 H new ATOM 0 HH11 ARG A 37 2.820 -21.267 20.994 1.00 0.00 H new ATOM 0 HH12 ARG A 37 1.835 -20.866 22.405 1.00 0.00 H new ATOM 0 HH21 ARG A 37 2.516 -23.872 24.102 1.00 0.00 H new ATOM 0 HH22 ARG A 37 1.665 -22.324 24.144 1.00 0.00 H new ATOM 637 N ASP A 38 8.898 -24.346 23.610 1.00 0.00 N ATOM 638 CA ASP A 38 9.423 -25.051 24.783 1.00 0.00 C ATOM 639 C ASP A 38 8.407 -26.047 25.350 1.00 0.00 C ATOM 640 O ASP A 38 8.791 -27.077 25.904 1.00 0.00 O ATOM 641 CB ASP A 38 9.832 -24.042 25.861 1.00 0.00 C ATOM 642 CG ASP A 38 10.357 -24.747 27.122 1.00 0.00 C ATOM 643 OD1 ASP A 38 11.488 -25.283 27.095 1.00 0.00 O ATOM 644 OD2 ASP A 38 9.662 -24.733 28.163 1.00 0.00 O ATOM 0 H ASP A 38 8.783 -23.342 23.748 1.00 0.00 H new ATOM 0 HA ASP A 38 10.298 -25.618 24.466 1.00 0.00 H new ATOM 0 HB2 ASP A 38 10.602 -23.379 25.467 1.00 0.00 H new ATOM 0 HB3 ASP A 38 8.976 -23.419 26.121 1.00 0.00 H new ATOM 649 N ASP A 39 7.110 -25.775 25.167 1.00 0.00 N ATOM 650 CA ASP A 39 6.021 -26.671 25.563 1.00 0.00 C ATOM 651 C ASP A 39 5.914 -27.924 24.679 1.00 0.00 C ATOM 652 O ASP A 39 5.113 -28.813 24.976 1.00 0.00 O ATOM 653 CB ASP A 39 4.677 -25.925 25.645 1.00 0.00 C ATOM 654 CG ASP A 39 3.862 -25.868 24.347 1.00 0.00 C ATOM 655 OD1 ASP A 39 4.413 -25.943 23.230 1.00 0.00 O ATOM 656 OD2 ASP A 39 2.640 -25.612 24.437 1.00 0.00 O ATOM 0 H ASP A 39 6.784 -24.912 24.732 1.00 0.00 H new ATOM 0 HA ASP A 39 6.272 -27.026 26.563 1.00 0.00 H new ATOM 0 HB2 ASP A 39 4.067 -26.399 26.414 1.00 0.00 H new ATOM 0 HB3 ASP A 39 4.870 -24.904 25.975 1.00 0.00 H new ATOM 661 N GLY A 40 6.718 -28.014 23.612 1.00 0.00 N ATOM 662 CA GLY A 40 6.853 -29.197 22.776 1.00 0.00 C ATOM 663 C GLY A 40 6.150 -29.072 21.422 1.00 0.00 C ATOM 664 O GLY A 40 6.429 -29.874 20.529 1.00 0.00 O ATOM 0 H GLY A 40 7.306 -27.240 23.304 1.00 0.00 H new ATOM 0 HA2 GLY A 40 7.912 -29.396 22.610 1.00 0.00 H new ATOM 0 HA3 GLY A 40 6.447 -30.057 23.309 1.00 0.00 H new ATOM 668 N ARG A 41 5.238 -28.108 21.250 1.00 0.00 N ATOM 669 CA ARG A 41 4.450 -27.991 20.028 1.00 0.00 C ATOM 670 C ARG A 41 5.198 -27.149 19.005 1.00 0.00 C ATOM 671 O ARG A 41 5.959 -26.251 19.363 1.00 0.00 O ATOM 672 CB ARG A 41 3.072 -27.392 20.351 1.00 0.00 C ATOM 673 CG ARG A 41 2.218 -28.402 21.135 1.00 0.00 C ATOM 674 CD ARG A 41 0.817 -27.871 21.457 1.00 0.00 C ATOM 675 NE ARG A 41 0.825 -26.912 22.574 1.00 0.00 N ATOM 676 CZ ARG A 41 -0.259 -26.413 23.178 1.00 0.00 C ATOM 677 NH1 ARG A 41 -1.484 -26.659 22.717 1.00 0.00 N ATOM 678 NH2 ARG A 41 -0.088 -25.669 24.260 1.00 0.00 N ATOM 0 H ARG A 41 5.030 -27.396 21.950 1.00 0.00 H new ATOM 0 HA ARG A 41 4.295 -28.980 19.597 1.00 0.00 H new ATOM 0 HB2 ARG A 41 3.193 -26.479 20.934 1.00 0.00 H new ATOM 0 HB3 ARG A 41 2.563 -27.116 19.428 1.00 0.00 H new ATOM 0 HG2 ARG A 41 2.129 -29.322 20.557 1.00 0.00 H new ATOM 0 HG3 ARG A 41 2.727 -28.658 22.064 1.00 0.00 H new ATOM 0 HD2 ARG A 41 0.401 -27.390 20.572 1.00 0.00 H new ATOM 0 HD3 ARG A 41 0.162 -28.707 21.703 1.00 0.00 H new ATOM 0 HE ARG A 41 1.734 -26.602 22.916 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -1.610 -27.239 21.887 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -2.296 -26.268 23.194 1.00 0.00 H new ATOM 0 HH21 ARG A 41 0.852 -25.490 24.612 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -0.897 -25.275 24.741 1.00 0.00 H new ATOM 692 N VAL A 42 4.939 -27.382 17.727 1.00 0.00 N ATOM 693 CA VAL A 42 5.286 -26.417 16.690 1.00 0.00 C ATOM 694 C VAL A 42 4.117 -25.439 16.618 1.00 0.00 C ATOM 695 O VAL A 42 2.963 -25.838 16.812 1.00 0.00 O ATOM 696 CB VAL A 42 5.521 -27.093 15.318 1.00 0.00 C ATOM 697 CG1 VAL A 42 6.319 -26.172 14.382 1.00 0.00 C ATOM 698 CG2 VAL A 42 6.257 -28.436 15.413 1.00 0.00 C ATOM 0 H VAL A 42 4.490 -28.230 17.381 1.00 0.00 H new ATOM 0 HA VAL A 42 6.222 -25.915 16.935 1.00 0.00 H new ATOM 0 HB VAL A 42 4.525 -27.282 14.919 1.00 0.00 H new ATOM 0 HG11 VAL A 42 6.471 -26.670 13.424 1.00 0.00 H new ATOM 0 HG12 VAL A 42 5.767 -25.245 14.226 1.00 0.00 H new ATOM 0 HG13 VAL A 42 7.286 -25.946 14.831 1.00 0.00 H new ATOM 0 HG21 VAL A 42 6.386 -28.851 14.414 1.00 0.00 H new ATOM 0 HG22 VAL A 42 7.234 -28.284 15.872 1.00 0.00 H new ATOM 0 HG23 VAL A 42 5.674 -29.128 16.021 1.00 0.00 H new ATOM 708 N GLU A 43 4.401 -24.180 16.294 1.00 0.00 N ATOM 709 CA GLU A 43 3.392 -23.169 16.030 1.00 0.00 C ATOM 710 C GLU A 43 3.840 -22.362 14.814 1.00 0.00 C ATOM 711 O GLU A 43 5.026 -22.066 14.646 1.00 0.00 O ATOM 712 CB GLU A 43 3.196 -22.325 17.293 1.00 0.00 C ATOM 713 CG GLU A 43 2.297 -21.097 17.104 1.00 0.00 C ATOM 714 CD GLU A 43 1.909 -20.452 18.441 1.00 0.00 C ATOM 715 OE1 GLU A 43 2.729 -20.453 19.389 1.00 0.00 O ATOM 716 OE2 GLU A 43 0.788 -19.903 18.529 1.00 0.00 O ATOM 0 H GLU A 43 5.356 -23.832 16.207 1.00 0.00 H new ATOM 0 HA GLU A 43 2.420 -23.602 15.793 1.00 0.00 H new ATOM 0 HB2 GLU A 43 2.769 -22.955 18.073 1.00 0.00 H new ATOM 0 HB3 GLU A 43 4.172 -21.994 17.649 1.00 0.00 H new ATOM 0 HG2 GLU A 43 2.813 -20.363 16.485 1.00 0.00 H new ATOM 0 HG3 GLU A 43 1.394 -21.389 16.568 1.00 0.00 H new ATOM 723 N ILE A 44 2.885 -22.034 13.947 1.00 0.00 N ATOM 724 CA ILE A 44 3.112 -21.441 12.644 1.00 0.00 C ATOM 725 C ILE A 44 2.012 -20.399 12.454 1.00 0.00 C ATOM 726 O ILE A 44 0.872 -20.626 12.867 1.00 0.00 O ATOM 727 CB ILE A 44 3.026 -22.521 11.528 1.00 0.00 C ATOM 728 CG1 ILE A 44 3.553 -23.925 11.929 1.00 0.00 C ATOM 729 CG2 ILE A 44 3.739 -22.008 10.266 1.00 0.00 C ATOM 730 CD1 ILE A 44 3.479 -24.994 10.830 1.00 0.00 C ATOM 0 H ILE A 44 1.896 -22.182 14.147 1.00 0.00 H new ATOM 0 HA ILE A 44 4.104 -20.993 12.583 1.00 0.00 H new ATOM 0 HB ILE A 44 1.964 -22.674 11.336 1.00 0.00 H new ATOM 0 HG12 ILE A 44 4.591 -23.827 12.248 1.00 0.00 H new ATOM 0 HG13 ILE A 44 2.986 -24.275 12.791 1.00 0.00 H new ATOM 0 HG21 ILE A 44 3.680 -22.763 9.482 1.00 0.00 H new ATOM 0 HG22 ILE A 44 3.258 -21.092 9.924 1.00 0.00 H new ATOM 0 HG23 ILE A 44 4.785 -21.805 10.496 1.00 0.00 H new ATOM 0 HD11 ILE A 44 3.871 -25.937 11.212 1.00 0.00 H new ATOM 0 HD12 ILE A 44 2.442 -25.130 10.524 1.00 0.00 H new ATOM 0 HD13 ILE A 44 4.072 -24.676 9.972 1.00 0.00 H new ATOM 742 N LEU A 45 2.320 -19.306 11.763 1.00 0.00 N ATOM 743 CA LEU A 45 1.350 -18.355 11.239 1.00 0.00 C ATOM 744 C LEU A 45 1.813 -18.099 9.815 1.00 0.00 C ATOM 745 O LEU A 45 2.975 -17.750 9.617 1.00 0.00 O ATOM 746 CB LEU A 45 1.329 -17.090 12.113 1.00 0.00 C ATOM 747 CG LEU A 45 0.237 -16.058 11.756 1.00 0.00 C ATOM 748 CD1 LEU A 45 0.110 -15.053 12.909 1.00 0.00 C ATOM 749 CD2 LEU A 45 0.522 -15.267 10.468 1.00 0.00 C ATOM 0 H LEU A 45 3.284 -19.051 11.546 1.00 0.00 H new ATOM 0 HA LEU A 45 0.322 -18.718 11.249 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.197 -17.389 13.153 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.302 -16.604 12.043 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.679 -16.625 11.592 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.659 -14.319 12.668 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.165 -15.580 13.823 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.063 -14.546 13.056 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.290 -14.563 10.286 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.458 -14.720 10.577 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.600 -15.956 9.627 1.00 0.00 H new ATOM 761 N ALA A 46 0.949 -18.315 8.825 1.00 0.00 N ATOM 762 CA ALA A 46 1.312 -18.218 7.420 1.00 0.00 C ATOM 763 C ALA A 46 0.202 -17.508 6.664 1.00 0.00 C ATOM 764 O ALA A 46 -0.969 -17.599 7.034 1.00 0.00 O ATOM 765 CB ALA A 46 1.557 -19.615 6.847 1.00 0.00 C ATOM 0 H ALA A 46 -0.028 -18.564 8.980 1.00 0.00 H new ATOM 0 HA ALA A 46 2.232 -17.643 7.315 1.00 0.00 H new ATOM 0 HB1 ALA A 46 1.828 -19.534 5.794 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.367 -20.096 7.395 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.650 -20.212 6.943 1.00 0.00 H new ATOM 771 N GLU A 47 0.572 -16.810 5.596 1.00 0.00 N ATOM 772 CA GLU A 47 -0.296 -15.914 4.861 1.00 0.00 C ATOM 773 C GLU A 47 -0.006 -16.088 3.374 1.00 0.00 C ATOM 774 O GLU A 47 1.156 -16.223 2.975 1.00 0.00 O ATOM 775 CB GLU A 47 -0.074 -14.455 5.306 1.00 0.00 C ATOM 776 CG GLU A 47 -0.273 -14.269 6.818 1.00 0.00 C ATOM 777 CD GLU A 47 -0.289 -12.810 7.270 1.00 0.00 C ATOM 778 OE1 GLU A 47 0.496 -11.983 6.756 1.00 0.00 O ATOM 779 OE2 GLU A 47 -1.045 -12.490 8.211 1.00 0.00 O ATOM 0 H GLU A 47 1.515 -16.858 5.210 1.00 0.00 H new ATOM 0 HA GLU A 47 -1.341 -16.153 5.061 1.00 0.00 H new ATOM 0 HB2 GLU A 47 0.935 -14.144 5.034 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -0.764 -13.805 4.768 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -1.212 -14.739 7.111 1.00 0.00 H new ATOM 0 HG3 GLU A 47 0.524 -14.793 7.346 1.00 0.00 H new ATOM 786 N GLY A 48 -1.063 -16.113 2.563 1.00 0.00 N ATOM 787 CA GLY A 48 -0.994 -16.448 1.144 1.00 0.00 C ATOM 788 C GLY A 48 -2.383 -16.759 0.595 1.00 0.00 C ATOM 789 O GLY A 48 -3.369 -16.515 1.293 1.00 0.00 O ATOM 0 H GLY A 48 -2.008 -15.897 2.881 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -0.556 -15.618 0.590 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.340 -17.308 1.000 1.00 0.00 H new ATOM 793 N PRO A 49 -2.501 -17.255 -0.647 1.00 0.00 N ATOM 794 CA PRO A 49 -3.777 -17.703 -1.188 1.00 0.00 C ATOM 795 C PRO A 49 -4.223 -19.002 -0.502 1.00 0.00 C ATOM 796 O PRO A 49 -3.401 -19.802 -0.045 1.00 0.00 O ATOM 797 CB PRO A 49 -3.542 -17.875 -2.692 1.00 0.00 C ATOM 798 CG PRO A 49 -2.052 -18.193 -2.794 1.00 0.00 C ATOM 799 CD PRO A 49 -1.428 -17.446 -1.613 1.00 0.00 C ATOM 0 HA PRO A 49 -4.584 -16.992 -1.009 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -4.152 -18.680 -3.103 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -3.796 -16.969 -3.243 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -1.868 -19.265 -2.729 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -1.637 -17.855 -3.743 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -0.609 -18.019 -1.178 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -1.014 -16.489 -1.931 1.00 0.00 H new ATOM 807 N GLU A 50 -5.537 -19.227 -0.458 1.00 0.00 N ATOM 808 CA GLU A 50 -6.141 -20.317 0.305 1.00 0.00 C ATOM 809 C GLU A 50 -5.636 -21.684 -0.166 1.00 0.00 C ATOM 810 O GLU A 50 -5.330 -22.534 0.664 1.00 0.00 O ATOM 811 CB GLU A 50 -7.671 -20.203 0.213 1.00 0.00 C ATOM 812 CG GLU A 50 -8.401 -21.188 1.138 1.00 0.00 C ATOM 813 CD GLU A 50 -9.919 -20.936 1.138 1.00 0.00 C ATOM 814 OE1 GLU A 50 -10.397 -20.088 1.927 1.00 0.00 O ATOM 815 OE2 GLU A 50 -10.647 -21.592 0.356 1.00 0.00 O ATOM 0 H GLU A 50 -6.217 -18.652 -0.956 1.00 0.00 H new ATOM 0 HA GLU A 50 -5.844 -20.232 1.350 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -7.970 -19.186 0.465 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -7.982 -20.381 -0.816 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -8.200 -22.210 0.816 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -8.014 -21.092 2.153 1.00 0.00 H new ATOM 822 N ASN A 51 -5.488 -21.898 -1.479 1.00 0.00 N ATOM 823 CA ASN A 51 -5.029 -23.189 -2.005 1.00 0.00 C ATOM 824 C ASN A 51 -3.591 -23.499 -1.586 1.00 0.00 C ATOM 825 O ASN A 51 -3.259 -24.646 -1.273 1.00 0.00 O ATOM 826 CB ASN A 51 -5.141 -23.218 -3.536 1.00 0.00 C ATOM 827 CG ASN A 51 -4.647 -24.557 -4.083 1.00 0.00 C ATOM 828 OD1 ASN A 51 -5.265 -25.595 -3.864 1.00 0.00 O ATOM 829 ND2 ASN A 51 -3.533 -24.571 -4.798 1.00 0.00 N ATOM 0 H ASN A 51 -5.679 -21.196 -2.194 1.00 0.00 H new ATOM 0 HA ASN A 51 -5.676 -23.956 -1.580 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -6.177 -23.057 -3.834 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -4.556 -22.405 -3.965 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -3.179 -25.451 -5.174 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -3.028 -23.702 -4.973 1.00 0.00 H new ATOM 836 N ALA A 52 -2.733 -22.475 -1.554 1.00 0.00 N ATOM 837 CA ALA A 52 -1.361 -22.634 -1.095 1.00 0.00 C ATOM 838 C ALA A 52 -1.352 -22.946 0.399 1.00 0.00 C ATOM 839 O ALA A 52 -0.636 -23.850 0.823 1.00 0.00 O ATOM 840 CB ALA A 52 -0.543 -21.374 -1.389 1.00 0.00 C ATOM 0 H ALA A 52 -2.971 -21.526 -1.843 1.00 0.00 H new ATOM 0 HA ALA A 52 -0.902 -23.464 -1.632 1.00 0.00 H new ATOM 0 HB1 ALA A 52 0.479 -21.514 -1.038 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -0.536 -21.187 -2.463 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -0.990 -20.522 -0.876 1.00 0.00 H new ATOM 846 N LEU A 53 -2.170 -22.246 1.192 1.00 0.00 N ATOM 847 CA LEU A 53 -2.272 -22.487 2.625 1.00 0.00 C ATOM 848 C LEU A 53 -2.825 -23.887 2.918 1.00 0.00 C ATOM 849 O LEU A 53 -2.339 -24.545 3.835 1.00 0.00 O ATOM 850 CB LEU A 53 -3.134 -21.396 3.279 1.00 0.00 C ATOM 851 CG LEU A 53 -2.465 -20.008 3.353 1.00 0.00 C ATOM 852 CD1 LEU A 53 -3.479 -18.984 3.865 1.00 0.00 C ATOM 853 CD2 LEU A 53 -1.238 -19.990 4.273 1.00 0.00 C ATOM 0 H LEU A 53 -2.777 -21.499 0.854 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.272 -22.443 3.056 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.067 -21.306 2.722 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.395 -21.714 4.289 1.00 0.00 H new ATOM 0 HG LEU A 53 -2.128 -19.760 2.346 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.009 -18.002 3.918 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.330 -18.943 3.185 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.822 -19.276 4.857 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.808 -18.988 4.287 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.536 -20.270 5.283 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.496 -20.698 3.904 1.00 0.00 H new ATOM 865 N GLN A 54 -3.782 -24.387 2.131 1.00 0.00 N ATOM 866 CA GLN A 54 -4.276 -25.754 2.247 1.00 0.00 C ATOM 867 C GLN A 54 -3.158 -26.757 1.952 1.00 0.00 C ATOM 868 O GLN A 54 -2.952 -27.682 2.735 1.00 0.00 O ATOM 869 CB GLN A 54 -5.465 -25.964 1.293 1.00 0.00 C ATOM 870 CG GLN A 54 -6.776 -25.339 1.794 1.00 0.00 C ATOM 871 CD GLN A 54 -7.329 -26.074 3.015 1.00 0.00 C ATOM 872 OE1 GLN A 54 -7.070 -25.693 4.153 1.00 0.00 O ATOM 873 NE2 GLN A 54 -8.085 -27.142 2.819 1.00 0.00 N ATOM 0 H GLN A 54 -4.235 -23.849 1.393 1.00 0.00 H new ATOM 0 HA GLN A 54 -4.616 -25.921 3.269 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -5.218 -25.539 0.320 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -5.616 -27.033 1.144 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -6.606 -24.293 2.047 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -7.516 -25.357 0.994 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -8.295 -27.451 1.870 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -8.458 -27.656 3.617 1.00 0.00 H new ATOM 882 N SER A 55 -2.408 -26.563 0.864 1.00 0.00 N ATOM 883 CA SER A 55 -1.284 -27.430 0.502 1.00 0.00 C ATOM 884 C SER A 55 -0.200 -27.406 1.594 1.00 0.00 C ATOM 885 O SER A 55 0.395 -28.434 1.918 1.00 0.00 O ATOM 886 CB SER A 55 -0.712 -26.971 -0.848 1.00 0.00 C ATOM 887 OG SER A 55 -1.722 -26.894 -1.843 1.00 0.00 O ATOM 0 H SER A 55 -2.564 -25.798 0.208 1.00 0.00 H new ATOM 0 HA SER A 55 -1.635 -28.458 0.413 1.00 0.00 H new ATOM 0 HB2 SER A 55 -0.240 -25.995 -0.731 1.00 0.00 H new ATOM 0 HB3 SER A 55 0.065 -27.665 -1.170 1.00 0.00 H new ATOM 0 HG SER A 55 -2.258 -26.086 -1.703 1.00 0.00 H new ATOM 893 N PHE A 56 0.031 -26.240 2.198 1.00 0.00 N ATOM 894 CA PHE A 56 0.976 -26.052 3.281 1.00 0.00 C ATOM 895 C PHE A 56 0.518 -26.810 4.531 1.00 0.00 C ATOM 896 O PHE A 56 1.321 -27.539 5.105 1.00 0.00 O ATOM 897 CB PHE A 56 1.127 -24.546 3.508 1.00 0.00 C ATOM 898 CG PHE A 56 2.079 -24.110 4.598 1.00 0.00 C ATOM 899 CD1 PHE A 56 3.470 -24.211 4.407 1.00 0.00 C ATOM 900 CD2 PHE A 56 1.575 -23.495 5.760 1.00 0.00 C ATOM 901 CE1 PHE A 56 4.350 -23.669 5.360 1.00 0.00 C ATOM 902 CE2 PHE A 56 2.455 -22.951 6.706 1.00 0.00 C ATOM 903 CZ PHE A 56 3.841 -23.015 6.494 1.00 0.00 C ATOM 0 H PHE A 56 -0.451 -25.381 1.934 1.00 0.00 H new ATOM 0 HA PHE A 56 1.954 -26.464 3.032 1.00 0.00 H new ATOM 0 HB2 PHE A 56 1.453 -24.093 2.572 1.00 0.00 H new ATOM 0 HB3 PHE A 56 0.142 -24.137 3.734 1.00 0.00 H new ATOM 0 HD1 PHE A 56 3.861 -24.704 3.529 1.00 0.00 H new ATOM 0 HD2 PHE A 56 0.509 -23.442 5.923 1.00 0.00 H new ATOM 0 HE1 PHE A 56 5.417 -23.756 5.220 1.00 0.00 H new ATOM 0 HE2 PHE A 56 2.066 -22.483 7.598 1.00 0.00 H new ATOM 0 HZ PHE A 56 4.517 -22.561 7.204 1.00 0.00 H new ATOM 913 N VAL A 57 -0.764 -26.730 4.915 1.00 0.00 N ATOM 914 CA VAL A 57 -1.313 -27.547 5.998 1.00 0.00 C ATOM 915 C VAL A 57 -1.071 -29.024 5.687 1.00 0.00 C ATOM 916 O VAL A 57 -0.538 -29.735 6.534 1.00 0.00 O ATOM 917 CB VAL A 57 -2.811 -27.232 6.222 1.00 0.00 C ATOM 918 CG1 VAL A 57 -3.537 -28.279 7.085 1.00 0.00 C ATOM 919 CG2 VAL A 57 -2.975 -25.875 6.912 1.00 0.00 C ATOM 0 H VAL A 57 -1.442 -26.101 4.485 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.804 -27.308 6.932 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.258 -27.235 5.228 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -4.583 -27.994 7.200 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.478 -29.254 6.601 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -3.065 -28.332 8.066 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -4.035 -25.669 7.062 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -2.469 -25.894 7.877 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -2.538 -25.095 6.289 1.00 0.00 H new ATOM 929 N GLU A 58 -1.413 -29.471 4.476 1.00 0.00 N ATOM 930 CA GLU A 58 -1.288 -30.843 4.007 1.00 0.00 C ATOM 931 C GLU A 58 0.147 -31.354 4.189 1.00 0.00 C ATOM 932 O GLU A 58 0.354 -32.472 4.660 1.00 0.00 O ATOM 933 CB GLU A 58 -1.808 -30.851 2.556 1.00 0.00 C ATOM 934 CG GLU A 58 -1.109 -31.753 1.541 1.00 0.00 C ATOM 935 CD GLU A 58 -1.240 -33.263 1.823 1.00 0.00 C ATOM 936 OE1 GLU A 58 -2.292 -33.720 2.323 1.00 0.00 O ATOM 937 OE2 GLU A 58 -0.298 -34.021 1.497 1.00 0.00 O ATOM 0 H GLU A 58 -1.803 -28.852 3.766 1.00 0.00 H new ATOM 0 HA GLU A 58 -1.884 -31.546 4.589 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -2.861 -31.133 2.582 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -1.761 -29.829 2.180 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -1.515 -31.546 0.551 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -0.051 -31.493 1.512 1.00 0.00 H new ATOM 944 N ALA A 59 1.133 -30.516 3.876 1.00 0.00 N ATOM 945 CA ALA A 59 2.543 -30.822 4.078 1.00 0.00 C ATOM 946 C ALA A 59 2.892 -30.898 5.569 1.00 0.00 C ATOM 947 O ALA A 59 3.560 -31.835 6.011 1.00 0.00 O ATOM 948 CB ALA A 59 3.403 -29.768 3.379 1.00 0.00 C ATOM 0 H ALA A 59 0.971 -29.594 3.470 1.00 0.00 H new ATOM 0 HA ALA A 59 2.748 -31.801 3.644 1.00 0.00 H new ATOM 0 HB1 ALA A 59 4.457 -29.999 3.532 1.00 0.00 H new ATOM 0 HB2 ALA A 59 3.182 -29.768 2.312 1.00 0.00 H new ATOM 0 HB3 ALA A 59 3.183 -28.785 3.795 1.00 0.00 H new ATOM 954 N VAL A 60 2.422 -29.935 6.362 1.00 0.00 N ATOM 955 CA VAL A 60 2.651 -29.890 7.801 1.00 0.00 C ATOM 956 C VAL A 60 2.008 -31.099 8.504 1.00 0.00 C ATOM 957 O VAL A 60 2.526 -31.514 9.541 1.00 0.00 O ATOM 958 CB VAL A 60 2.201 -28.514 8.346 1.00 0.00 C ATOM 959 CG1 VAL A 60 2.278 -28.416 9.874 1.00 0.00 C ATOM 960 CG2 VAL A 60 3.108 -27.394 7.805 1.00 0.00 C ATOM 0 H VAL A 60 1.864 -29.155 6.015 1.00 0.00 H new ATOM 0 HA VAL A 60 3.715 -29.980 8.020 1.00 0.00 H new ATOM 0 HB VAL A 60 1.167 -28.405 8.020 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.949 -27.427 10.192 1.00 0.00 H new ATOM 0 HG12 VAL A 60 1.634 -29.174 10.320 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.306 -28.578 10.198 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.775 -26.434 8.200 1.00 0.00 H new ATOM 0 HG22 VAL A 60 4.137 -27.577 8.115 1.00 0.00 H new ATOM 0 HG23 VAL A 60 3.055 -27.377 6.716 1.00 0.00 H new ATOM 970 N LYS A 61 0.967 -31.739 7.943 1.00 0.00 N ATOM 971 CA LYS A 61 0.446 -32.998 8.491 1.00 0.00 C ATOM 972 C LYS A 61 1.540 -34.067 8.548 1.00 0.00 C ATOM 973 O LYS A 61 1.516 -34.902 9.451 1.00 0.00 O ATOM 974 CB LYS A 61 -0.744 -33.572 7.699 1.00 0.00 C ATOM 975 CG LYS A 61 -1.925 -32.620 7.462 1.00 0.00 C ATOM 976 CD LYS A 61 -3.136 -33.305 6.808 1.00 0.00 C ATOM 977 CE LYS A 61 -3.819 -34.310 7.750 1.00 0.00 C ATOM 978 NZ LYS A 61 -5.021 -34.928 7.136 1.00 0.00 N ATOM 0 H LYS A 61 0.474 -31.405 7.115 1.00 0.00 H new ATOM 0 HA LYS A 61 0.096 -32.746 9.492 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -0.378 -33.912 6.730 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -1.114 -34.451 8.226 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -2.231 -32.188 8.415 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -1.597 -31.796 6.829 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -3.858 -32.547 6.504 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -2.814 -33.820 5.903 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -3.109 -35.092 8.021 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -4.104 -33.804 8.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -5.448 -35.598 7.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -5.711 -34.186 6.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -4.747 -35.433 6.269 1.00 0.00 H new ATOM 992 N ASN A 62 2.473 -34.074 7.588 1.00 0.00 N ATOM 993 CA ASN A 62 3.577 -35.024 7.568 1.00 0.00 C ATOM 994 C ASN A 62 4.722 -34.553 8.461 1.00 0.00 C ATOM 995 O ASN A 62 5.303 -35.351 9.196 1.00 0.00 O ATOM 996 CB ASN A 62 4.094 -35.239 6.139 1.00 0.00 C ATOM 997 CG ASN A 62 5.099 -36.388 6.107 1.00 0.00 C ATOM 998 OD1 ASN A 62 4.715 -37.552 6.037 1.00 0.00 O ATOM 999 ND2 ASN A 62 6.390 -36.110 6.159 1.00 0.00 N ATOM 0 H ASN A 62 2.478 -33.419 6.806 1.00 0.00 H new ATOM 0 HA ASN A 62 3.197 -35.971 7.952 1.00 0.00 H new ATOM 0 HB2 ASN A 62 3.260 -35.458 5.472 1.00 0.00 H new ATOM 0 HB3 ASN A 62 4.564 -34.326 5.773 1.00 0.00 H new ATOM 0 HD21 ASN A 62 7.075 -36.865 6.141 1.00 0.00 H new ATOM 0 HD22 ASN A 62 6.701 -35.140 6.217 1.00 0.00 H new ATOM 1006 N GLY A 63 5.041 -33.258 8.394 1.00 0.00 N ATOM 1007 CA GLY A 63 6.282 -32.725 8.940 1.00 0.00 C ATOM 1008 C GLY A 63 7.463 -33.097 8.040 1.00 0.00 C ATOM 1009 O GLY A 63 7.266 -33.542 6.903 1.00 0.00 O ATOM 0 H GLY A 63 4.444 -32.554 7.960 1.00 0.00 H new ATOM 0 HA2 GLY A 63 6.212 -31.641 9.029 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.444 -33.118 9.944 1.00 0.00 H new ATOM 1013 N SER A 64 8.690 -32.913 8.536 1.00 0.00 N ATOM 1014 CA SER A 64 9.897 -33.331 7.830 1.00 0.00 C ATOM 1015 C SER A 64 9.875 -34.853 7.587 1.00 0.00 C ATOM 1016 O SER A 64 9.138 -35.573 8.272 1.00 0.00 O ATOM 1017 CB SER A 64 11.128 -32.889 8.641 1.00 0.00 C ATOM 1018 OG SER A 64 11.321 -33.702 9.784 1.00 0.00 O ATOM 0 H SER A 64 8.871 -32.470 9.437 1.00 0.00 H new ATOM 0 HA SER A 64 9.945 -32.856 6.850 1.00 0.00 H new ATOM 0 HB2 SER A 64 12.015 -32.933 8.009 1.00 0.00 H new ATOM 0 HB3 SER A 64 11.007 -31.850 8.949 1.00 0.00 H new ATOM 0 HG SER A 64 12.194 -33.504 10.183 1.00 0.00 H new ATOM 1024 N PRO A 65 10.728 -35.402 6.701 1.00 0.00 N ATOM 1025 CA PRO A 65 10.872 -36.849 6.559 1.00 0.00 C ATOM 1026 C PRO A 65 11.382 -37.538 7.841 1.00 0.00 C ATOM 1027 O PRO A 65 11.304 -38.765 7.934 1.00 0.00 O ATOM 1028 CB PRO A 65 11.812 -37.061 5.366 1.00 0.00 C ATOM 1029 CG PRO A 65 12.602 -35.758 5.289 1.00 0.00 C ATOM 1030 CD PRO A 65 11.592 -34.712 5.753 1.00 0.00 C ATOM 0 HA PRO A 65 9.902 -37.314 6.386 1.00 0.00 H new ATOM 0 HB2 PRO A 65 12.468 -37.918 5.521 1.00 0.00 H new ATOM 0 HB3 PRO A 65 11.256 -37.247 4.447 1.00 0.00 H new ATOM 0 HG2 PRO A 65 13.482 -35.782 5.932 1.00 0.00 H new ATOM 0 HG3 PRO A 65 12.952 -35.558 4.276 1.00 0.00 H new ATOM 0 HD2 PRO A 65 12.092 -33.864 6.222 1.00 0.00 H new ATOM 0 HD3 PRO A 65 11.019 -34.319 4.913 1.00 0.00 H new ATOM 1038 N PHE A 66 11.879 -36.782 8.830 1.00 0.00 N ATOM 1039 CA PHE A 66 12.326 -37.307 10.118 1.00 0.00 C ATOM 1040 C PHE A 66 11.252 -37.144 11.203 1.00 0.00 C ATOM 1041 O PHE A 66 11.357 -37.769 12.260 1.00 0.00 O ATOM 1042 CB PHE A 66 13.622 -36.593 10.531 1.00 0.00 C ATOM 1043 CG PHE A 66 14.713 -36.613 9.475 1.00 0.00 C ATOM 1044 CD1 PHE A 66 15.427 -37.800 9.217 1.00 0.00 C ATOM 1045 CD2 PHE A 66 14.997 -35.452 8.729 1.00 0.00 C ATOM 1046 CE1 PHE A 66 16.417 -37.824 8.219 1.00 0.00 C ATOM 1047 CE2 PHE A 66 15.989 -35.478 7.732 1.00 0.00 C ATOM 1048 CZ PHE A 66 16.699 -36.664 7.476 1.00 0.00 C ATOM 0 H PHE A 66 11.981 -35.770 8.751 1.00 0.00 H new ATOM 0 HA PHE A 66 12.512 -38.376 10.010 1.00 0.00 H new ATOM 0 HB2 PHE A 66 13.389 -35.557 10.776 1.00 0.00 H new ATOM 0 HB3 PHE A 66 14.004 -37.057 11.440 1.00 0.00 H new ATOM 0 HD1 PHE A 66 15.214 -38.692 9.787 1.00 0.00 H new ATOM 0 HD2 PHE A 66 14.452 -34.540 8.923 1.00 0.00 H new ATOM 0 HE1 PHE A 66 16.962 -38.735 8.023 1.00 0.00 H new ATOM 0 HE2 PHE A 66 16.205 -34.586 7.163 1.00 0.00 H new ATOM 0 HZ PHE A 66 17.460 -36.684 6.710 1.00 0.00 H new ATOM 1058 N SER A 67 10.225 -36.322 10.972 1.00 0.00 N ATOM 1059 CA SER A 67 9.142 -36.094 11.914 1.00 0.00 C ATOM 1060 C SER A 67 8.229 -37.319 12.008 1.00 0.00 C ATOM 1061 O SER A 67 8.181 -38.164 11.109 1.00 0.00 O ATOM 1062 CB SER A 67 8.318 -34.888 11.453 1.00 0.00 C ATOM 1063 OG SER A 67 9.107 -33.717 11.370 1.00 0.00 O ATOM 0 H SER A 67 10.127 -35.790 10.107 1.00 0.00 H new ATOM 0 HA SER A 67 9.573 -35.906 12.897 1.00 0.00 H new ATOM 0 HB2 SER A 67 7.877 -35.099 10.479 1.00 0.00 H new ATOM 0 HB3 SER A 67 7.494 -34.723 12.147 1.00 0.00 H new ATOM 0 HG SER A 67 9.825 -33.852 10.716 1.00 0.00 H new ATOM 1069 N LYS A 68 7.426 -37.351 13.071 1.00 0.00 N ATOM 1070 CA LYS A 68 6.186 -38.111 13.147 1.00 0.00 C ATOM 1071 C LYS A 68 5.203 -37.249 13.926 1.00 0.00 C ATOM 1072 O LYS A 68 5.218 -37.234 15.157 1.00 0.00 O ATOM 1073 CB LYS A 68 6.404 -39.499 13.781 1.00 0.00 C ATOM 1074 CG LYS A 68 5.108 -40.327 13.888 1.00 0.00 C ATOM 1075 CD LYS A 68 4.565 -40.801 12.529 1.00 0.00 C ATOM 1076 CE LYS A 68 3.187 -41.466 12.678 1.00 0.00 C ATOM 1077 NZ LYS A 68 2.068 -40.489 12.669 1.00 0.00 N ATOM 0 H LYS A 68 7.629 -36.833 13.926 1.00 0.00 H new ATOM 0 HA LYS A 68 5.790 -38.325 12.154 1.00 0.00 H new ATOM 0 HB2 LYS A 68 7.133 -40.052 13.188 1.00 0.00 H new ATOM 0 HB3 LYS A 68 6.831 -39.374 14.776 1.00 0.00 H new ATOM 0 HG2 LYS A 68 5.293 -41.196 14.519 1.00 0.00 H new ATOM 0 HG3 LYS A 68 4.345 -39.729 14.386 1.00 0.00 H new ATOM 0 HD2 LYS A 68 4.490 -39.952 11.849 1.00 0.00 H new ATOM 0 HD3 LYS A 68 5.265 -41.507 12.082 1.00 0.00 H new ATOM 0 HE2 LYS A 68 3.045 -42.181 11.867 1.00 0.00 H new ATOM 0 HE3 LYS A 68 3.161 -42.031 13.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 1.241 -40.903 13.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 2.358 -39.624 13.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 1.820 -40.254 11.687 1.00 0.00 H new ATOM 1091 N VAL A 69 4.384 -36.490 13.207 1.00 0.00 N ATOM 1092 CA VAL A 69 3.248 -35.780 13.781 1.00 0.00 C ATOM 1093 C VAL A 69 2.308 -36.820 14.406 1.00 0.00 C ATOM 1094 O VAL A 69 2.156 -37.924 13.868 1.00 0.00 O ATOM 1095 CB VAL A 69 2.570 -34.958 12.662 1.00 0.00 C ATOM 1096 CG1 VAL A 69 1.303 -34.230 13.132 1.00 0.00 C ATOM 1097 CG2 VAL A 69 3.544 -33.916 12.084 1.00 0.00 C ATOM 0 H VAL A 69 4.491 -36.349 12.202 1.00 0.00 H new ATOM 0 HA VAL A 69 3.547 -35.083 14.564 1.00 0.00 H new ATOM 0 HB VAL A 69 2.283 -35.681 11.898 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.875 -33.671 12.300 1.00 0.00 H new ATOM 0 HG12 VAL A 69 0.577 -34.959 13.492 1.00 0.00 H new ATOM 0 HG13 VAL A 69 1.557 -33.542 13.939 1.00 0.00 H new ATOM 0 HG21 VAL A 69 3.046 -33.349 11.298 1.00 0.00 H new ATOM 0 HG22 VAL A 69 3.862 -33.237 12.875 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.415 -34.423 11.669 1.00 0.00 H new ATOM 1107 N THR A 70 1.658 -36.468 15.513 1.00 0.00 N ATOM 1108 CA THR A 70 0.623 -37.275 16.151 1.00 0.00 C ATOM 1109 C THR A 70 -0.667 -36.464 16.347 1.00 0.00 C ATOM 1110 O THR A 70 -1.738 -37.058 16.490 1.00 0.00 O ATOM 1111 CB THR A 70 1.158 -37.862 17.471 1.00 0.00 C ATOM 1112 OG1 THR A 70 1.549 -36.836 18.364 1.00 0.00 O ATOM 1113 CG2 THR A 70 2.389 -38.748 17.241 1.00 0.00 C ATOM 0 H THR A 70 1.842 -35.592 16.002 1.00 0.00 H new ATOM 0 HA THR A 70 0.365 -38.109 15.499 1.00 0.00 H new ATOM 0 HB THR A 70 0.342 -38.451 17.890 1.00 0.00 H new ATOM 0 HG1 THR A 70 1.883 -37.235 19.194 1.00 0.00 H new ATOM 0 HG21 THR A 70 2.736 -39.143 18.196 1.00 0.00 H new ATOM 0 HG22 THR A 70 2.124 -39.574 16.581 1.00 0.00 H new ATOM 0 HG23 THR A 70 3.182 -38.157 16.783 1.00 0.00 H new ATOM 1121 N ASP A 71 -0.603 -35.127 16.302 1.00 0.00 N ATOM 1122 CA ASP A 71 -1.766 -34.244 16.343 1.00 0.00 C ATOM 1123 C ASP A 71 -1.435 -32.941 15.619 1.00 0.00 C ATOM 1124 O ASP A 71 -0.279 -32.509 15.609 1.00 0.00 O ATOM 1125 CB ASP A 71 -2.164 -33.944 17.796 1.00 0.00 C ATOM 1126 CG ASP A 71 -3.385 -33.012 17.870 1.00 0.00 C ATOM 1127 OD1 ASP A 71 -4.414 -33.312 17.224 1.00 0.00 O ATOM 1128 OD2 ASP A 71 -3.325 -31.992 18.591 1.00 0.00 O ATOM 0 H ASP A 71 0.281 -34.622 16.235 1.00 0.00 H new ATOM 0 HA ASP A 71 -2.604 -34.738 15.850 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -2.387 -34.878 18.312 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -1.323 -33.485 18.316 1.00 0.00 H new ATOM 1133 N ILE A 72 -2.440 -32.313 15.015 1.00 0.00 N ATOM 1134 CA ILE A 72 -2.321 -31.065 14.274 1.00 0.00 C ATOM 1135 C ILE A 72 -3.670 -30.339 14.358 1.00 0.00 C ATOM 1136 O ILE A 72 -4.723 -30.986 14.344 1.00 0.00 O ATOM 1137 CB ILE A 72 -1.850 -31.348 12.821 1.00 0.00 C ATOM 1138 CG1 ILE A 72 -1.672 -30.028 12.036 1.00 0.00 C ATOM 1139 CG2 ILE A 72 -2.757 -32.340 12.061 1.00 0.00 C ATOM 1140 CD1 ILE A 72 -0.995 -30.200 10.673 1.00 0.00 C ATOM 0 H ILE A 72 -3.394 -32.674 15.030 1.00 0.00 H new ATOM 0 HA ILE A 72 -1.562 -30.412 14.703 1.00 0.00 H new ATOM 0 HB ILE A 72 -0.881 -31.840 12.902 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -2.650 -29.570 11.889 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -1.083 -29.336 12.638 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -2.368 -32.490 11.054 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -2.776 -33.293 12.589 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -3.768 -31.937 12.003 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -0.907 -29.229 10.185 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -0.002 -30.628 10.811 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.593 -30.866 10.051 1.00 0.00 H new ATOM 1152 N SER A 73 -3.637 -29.008 14.417 1.00 0.00 N ATOM 1153 CA SER A 73 -4.805 -28.139 14.480 1.00 0.00 C ATOM 1154 C SER A 73 -4.537 -26.894 13.631 1.00 0.00 C ATOM 1155 O SER A 73 -3.380 -26.504 13.449 1.00 0.00 O ATOM 1156 CB SER A 73 -5.083 -27.738 15.939 1.00 0.00 C ATOM 1157 OG SER A 73 -5.250 -28.873 16.777 1.00 0.00 O ATOM 0 H SER A 73 -2.760 -28.488 14.422 1.00 0.00 H new ATOM 0 HA SER A 73 -5.679 -28.664 14.095 1.00 0.00 H new ATOM 0 HB2 SER A 73 -4.259 -27.129 16.312 1.00 0.00 H new ATOM 0 HB3 SER A 73 -5.980 -27.120 15.981 1.00 0.00 H new ATOM 0 HG SER A 73 -5.423 -28.579 17.696 1.00 0.00 H new ATOM 1163 N VAL A 74 -5.600 -26.263 13.129 1.00 0.00 N ATOM 1164 CA VAL A 74 -5.536 -25.102 12.245 1.00 0.00 C ATOM 1165 C VAL A 74 -6.609 -24.106 12.699 1.00 0.00 C ATOM 1166 O VAL A 74 -7.695 -24.501 13.132 1.00 0.00 O ATOM 1167 CB VAL A 74 -5.737 -25.535 10.770 1.00 0.00 C ATOM 1168 CG1 VAL A 74 -5.541 -24.366 9.790 1.00 0.00 C ATOM 1169 CG2 VAL A 74 -4.781 -26.664 10.350 1.00 0.00 C ATOM 0 H VAL A 74 -6.556 -26.555 13.333 1.00 0.00 H new ATOM 0 HA VAL A 74 -4.557 -24.626 12.301 1.00 0.00 H new ATOM 0 HB VAL A 74 -6.766 -25.892 10.722 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -5.692 -24.718 8.769 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -6.262 -23.579 10.013 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -4.530 -23.971 9.892 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -4.965 -26.928 9.309 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -3.750 -26.329 10.463 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -4.949 -27.537 10.981 1.00 0.00 H new ATOM 1179 N THR A 75 -6.302 -22.817 12.569 1.00 0.00 N ATOM 1180 CA THR A 75 -7.196 -21.684 12.776 1.00 0.00 C ATOM 1181 C THR A 75 -6.938 -20.718 11.606 1.00 0.00 C ATOM 1182 O THR A 75 -5.921 -20.843 10.917 1.00 0.00 O ATOM 1183 CB THR A 75 -6.908 -21.046 14.158 1.00 0.00 C ATOM 1184 OG1 THR A 75 -6.736 -22.031 15.166 1.00 0.00 O ATOM 1185 CG2 THR A 75 -8.025 -20.111 14.636 1.00 0.00 C ATOM 0 H THR A 75 -5.364 -22.520 12.300 1.00 0.00 H new ATOM 0 HA THR A 75 -8.248 -21.970 12.787 1.00 0.00 H new ATOM 0 HB THR A 75 -5.992 -20.474 14.008 1.00 0.00 H new ATOM 0 HG1 THR A 75 -6.555 -21.593 16.024 1.00 0.00 H new ATOM 0 HG21 THR A 75 -7.762 -19.697 15.609 1.00 0.00 H new ATOM 0 HG22 THR A 75 -8.152 -19.300 13.919 1.00 0.00 H new ATOM 0 HG23 THR A 75 -8.957 -20.670 14.720 1.00 0.00 H new ATOM 1193 N GLU A 76 -7.823 -19.752 11.355 1.00 0.00 N ATOM 1194 CA GLU A 76 -7.667 -18.795 10.264 1.00 0.00 C ATOM 1195 C GLU A 76 -8.152 -17.405 10.680 1.00 0.00 C ATOM 1196 O GLU A 76 -8.830 -17.245 11.700 1.00 0.00 O ATOM 1197 CB GLU A 76 -8.399 -19.291 8.999 1.00 0.00 C ATOM 1198 CG GLU A 76 -9.923 -19.411 9.164 1.00 0.00 C ATOM 1199 CD GLU A 76 -10.650 -19.362 7.812 1.00 0.00 C ATOM 1200 OE1 GLU A 76 -10.543 -20.307 7.000 1.00 0.00 O ATOM 1201 OE2 GLU A 76 -11.344 -18.360 7.536 1.00 0.00 O ATOM 0 H GLU A 76 -8.670 -19.613 11.906 1.00 0.00 H new ATOM 0 HA GLU A 76 -6.606 -18.714 10.028 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -8.186 -18.608 8.177 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -7.997 -20.264 8.717 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -10.161 -20.346 9.671 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -10.284 -18.603 9.800 1.00 0.00 H new ATOM 1208 N SER A 77 -7.848 -16.429 9.827 1.00 0.00 N ATOM 1209 CA SER A 77 -8.392 -15.083 9.835 1.00 0.00 C ATOM 1210 C SER A 77 -8.610 -14.718 8.367 1.00 0.00 C ATOM 1211 O SER A 77 -7.744 -14.996 7.532 1.00 0.00 O ATOM 1212 CB SER A 77 -7.398 -14.101 10.477 1.00 0.00 C ATOM 1213 OG SER A 77 -6.967 -14.513 11.762 1.00 0.00 O ATOM 0 H SER A 77 -7.177 -16.570 9.071 1.00 0.00 H new ATOM 0 HA SER A 77 -9.316 -15.031 10.412 1.00 0.00 H new ATOM 0 HB2 SER A 77 -6.531 -13.993 9.826 1.00 0.00 H new ATOM 0 HB3 SER A 77 -7.864 -13.119 10.553 1.00 0.00 H new ATOM 0 HG SER A 77 -5.989 -14.476 11.806 1.00 0.00 H new ATOM 1219 N ARG A 78 -9.760 -14.122 8.035 1.00 0.00 N ATOM 1220 CA ARG A 78 -9.993 -13.601 6.684 1.00 0.00 C ATOM 1221 C ARG A 78 -9.246 -12.278 6.490 1.00 0.00 C ATOM 1222 O ARG A 78 -8.830 -11.984 5.369 1.00 0.00 O ATOM 1223 CB ARG A 78 -11.503 -13.487 6.395 1.00 0.00 C ATOM 1224 CG ARG A 78 -12.182 -14.867 6.265 1.00 0.00 C ATOM 1225 CD ARG A 78 -11.854 -15.584 4.940 1.00 0.00 C ATOM 1226 NE ARG A 78 -11.652 -17.033 5.123 1.00 0.00 N ATOM 1227 CZ ARG A 78 -11.350 -17.922 4.170 1.00 0.00 C ATOM 1228 NH1 ARG A 78 -11.319 -17.601 2.882 1.00 0.00 N ATOM 1229 NH2 ARG A 78 -11.052 -19.172 4.486 1.00 0.00 N ATOM 0 H ARG A 78 -10.540 -13.989 8.679 1.00 0.00 H new ATOM 0 HA ARG A 78 -9.592 -14.303 5.953 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -11.982 -12.923 7.195 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -11.653 -12.923 5.474 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -11.871 -15.497 7.098 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -13.262 -14.742 6.345 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -12.664 -15.419 4.230 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -10.955 -15.146 4.505 1.00 0.00 H new ATOM 0 HE ARG A 78 -11.753 -17.394 6.072 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -11.530 -16.647 2.589 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -11.084 -18.308 2.186 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -11.051 -19.465 5.463 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -10.823 -19.843 3.752 1.00 0.00 H new ATOM 1243 N SER A 79 -9.032 -11.509 7.561 1.00 0.00 N ATOM 1244 CA SER A 79 -8.034 -10.448 7.601 1.00 0.00 C ATOM 1245 C SER A 79 -6.642 -11.087 7.687 1.00 0.00 C ATOM 1246 O SER A 79 -6.510 -12.267 8.016 1.00 0.00 O ATOM 1247 CB SER A 79 -8.298 -9.551 8.820 1.00 0.00 C ATOM 1248 OG SER A 79 -9.647 -9.102 8.838 1.00 0.00 O ATOM 0 H SER A 79 -9.554 -11.610 8.431 1.00 0.00 H new ATOM 0 HA SER A 79 -8.089 -9.835 6.702 1.00 0.00 H new ATOM 0 HB2 SER A 79 -8.082 -10.102 9.735 1.00 0.00 H new ATOM 0 HB3 SER A 79 -7.626 -8.693 8.798 1.00 0.00 H new ATOM 0 HG SER A 79 -9.792 -8.534 9.623 1.00 0.00 H new ATOM 1254 N LEU A 80 -5.590 -10.310 7.439 1.00 0.00 N ATOM 1255 CA LEU A 80 -4.202 -10.753 7.547 1.00 0.00 C ATOM 1256 C LEU A 80 -3.316 -9.585 7.970 1.00 0.00 C ATOM 1257 O LEU A 80 -3.714 -8.424 7.850 1.00 0.00 O ATOM 1258 CB LEU A 80 -3.715 -11.392 6.230 1.00 0.00 C ATOM 1259 CG LEU A 80 -3.385 -10.436 5.064 1.00 0.00 C ATOM 1260 CD1 LEU A 80 -2.583 -11.214 4.020 1.00 0.00 C ATOM 1261 CD2 LEU A 80 -4.635 -9.848 4.398 1.00 0.00 C ATOM 0 H LEU A 80 -5.680 -9.335 7.152 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.139 -11.525 8.314 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.823 -11.979 6.449 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -4.480 -12.089 5.889 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.818 -9.599 5.471 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.338 -10.557 3.185 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.663 -11.586 4.471 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.175 -12.055 3.658 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.337 -9.184 3.586 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -5.249 -10.656 3.999 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -5.209 -9.285 5.134 1.00 0.00 H new ATOM 1273 N GLU A 81 -2.110 -9.890 8.448 1.00 0.00 N ATOM 1274 CA GLU A 81 -1.108 -8.893 8.800 1.00 0.00 C ATOM 1275 C GLU A 81 -0.454 -8.352 7.522 1.00 0.00 C ATOM 1276 O GLU A 81 -0.237 -7.146 7.393 1.00 0.00 O ATOM 1277 CB GLU A 81 -0.076 -9.549 9.733 1.00 0.00 C ATOM 1278 CG GLU A 81 0.972 -8.582 10.302 1.00 0.00 C ATOM 1279 CD GLU A 81 0.359 -7.545 11.262 1.00 0.00 C ATOM 1280 OE1 GLU A 81 0.159 -7.859 12.458 1.00 0.00 O ATOM 1281 OE2 GLU A 81 0.090 -6.398 10.841 1.00 0.00 O ATOM 0 H GLU A 81 -1.801 -10.850 8.602 1.00 0.00 H new ATOM 0 HA GLU A 81 -1.563 -8.050 9.320 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -0.603 -10.022 10.561 1.00 0.00 H new ATOM 0 HB3 GLU A 81 0.437 -10.341 9.187 1.00 0.00 H new ATOM 0 HG2 GLU A 81 1.738 -9.151 10.828 1.00 0.00 H new ATOM 0 HG3 GLU A 81 1.467 -8.064 9.481 1.00 0.00 H new ATOM 1288 N GLY A 82 -0.187 -9.239 6.560 1.00 0.00 N ATOM 1289 CA GLY A 82 0.465 -8.906 5.304 1.00 0.00 C ATOM 1290 C GLY A 82 1.981 -8.952 5.475 1.00 0.00 C ATOM 1291 O GLY A 82 2.664 -7.973 5.162 1.00 0.00 O ATOM 0 H GLY A 82 -0.425 -10.227 6.640 1.00 0.00 H new ATOM 0 HA2 GLY A 82 0.157 -9.606 4.528 1.00 0.00 H new ATOM 0 HA3 GLY A 82 0.158 -7.913 4.977 1.00 0.00 H new ATOM 1295 N HIS A 83 2.502 -10.054 6.029 1.00 0.00 N ATOM 1296 CA HIS A 83 3.936 -10.286 6.176 1.00 0.00 C ATOM 1297 C HIS A 83 4.643 -10.166 4.816 1.00 0.00 C ATOM 1298 O HIS A 83 4.059 -10.461 3.770 1.00 0.00 O ATOM 1299 CB HIS A 83 4.176 -11.673 6.788 1.00 0.00 C ATOM 1300 CG HIS A 83 3.775 -11.808 8.235 1.00 0.00 C ATOM 1301 ND1 HIS A 83 2.495 -11.977 8.705 1.00 0.00 N ATOM 1302 CD2 HIS A 83 4.611 -11.863 9.319 1.00 0.00 C ATOM 1303 CE1 HIS A 83 2.552 -12.120 10.038 1.00 0.00 C ATOM 1304 NE2 HIS A 83 3.827 -12.059 10.465 1.00 0.00 N ATOM 0 H HIS A 83 1.929 -10.816 6.391 1.00 0.00 H new ATOM 0 HA HIS A 83 4.351 -9.529 6.842 1.00 0.00 H new ATOM 0 HB2 HIS A 83 3.627 -12.411 6.204 1.00 0.00 H new ATOM 0 HB3 HIS A 83 5.234 -11.916 6.695 1.00 0.00 H new ATOM 0 HD1 HIS A 83 1.647 -11.991 8.138 1.00 0.00 H new ATOM 0 HD2 HIS A 83 5.687 -11.771 9.295 1.00 0.00 H new ATOM 0 HE1 HIS A 83 1.695 -12.264 10.679 1.00 0.00 H new ATOM 1312 N HIS A 84 5.915 -9.758 4.838 1.00 0.00 N ATOM 1313 CA HIS A 84 6.711 -9.520 3.632 1.00 0.00 C ATOM 1314 C HIS A 84 7.488 -10.760 3.179 1.00 0.00 C ATOM 1315 O HIS A 84 7.722 -10.931 1.982 1.00 0.00 O ATOM 1316 CB HIS A 84 7.666 -8.337 3.876 1.00 0.00 C ATOM 1317 CG HIS A 84 8.408 -8.361 5.195 1.00 0.00 C ATOM 1318 ND1 HIS A 84 8.014 -7.740 6.361 1.00 0.00 N ATOM 1319 CD2 HIS A 84 9.604 -8.977 5.455 1.00 0.00 C ATOM 1320 CE1 HIS A 84 8.944 -7.984 7.301 1.00 0.00 C ATOM 1321 NE2 HIS A 84 9.937 -8.741 6.796 1.00 0.00 N ATOM 0 H HIS A 84 6.426 -9.582 5.703 1.00 0.00 H new ATOM 0 HA HIS A 84 6.022 -9.280 2.822 1.00 0.00 H new ATOM 0 HB2 HIS A 84 8.397 -8.310 3.068 1.00 0.00 H new ATOM 0 HB3 HIS A 84 7.093 -7.412 3.818 1.00 0.00 H new ATOM 0 HD2 HIS A 84 10.189 -9.546 4.748 1.00 0.00 H new ATOM 0 HE1 HIS A 84 8.901 -7.624 8.318 1.00 0.00 H new ATOM 0 HE2 HIS A 84 10.765 -9.075 7.290 1.00 0.00 H new ATOM 1329 N ARG A 85 7.904 -11.622 4.110 1.00 0.00 N ATOM 1330 CA ARG A 85 8.660 -12.857 3.865 1.00 0.00 C ATOM 1331 C ARG A 85 8.238 -13.885 4.917 1.00 0.00 C ATOM 1332 O ARG A 85 7.373 -13.588 5.747 1.00 0.00 O ATOM 1333 CB ARG A 85 10.182 -12.582 3.934 1.00 0.00 C ATOM 1334 CG ARG A 85 10.763 -11.717 2.799 1.00 0.00 C ATOM 1335 CD ARG A 85 10.626 -12.369 1.416 1.00 0.00 C ATOM 1336 NE ARG A 85 11.277 -11.562 0.369 1.00 0.00 N ATOM 1337 CZ ARG A 85 10.727 -10.552 -0.320 1.00 0.00 C ATOM 1338 NH1 ARG A 85 9.480 -10.153 -0.080 1.00 0.00 N ATOM 1339 NH2 ARG A 85 11.441 -9.937 -1.258 1.00 0.00 N ATOM 0 H ARG A 85 7.715 -11.473 5.101 1.00 0.00 H new ATOM 0 HA ARG A 85 8.446 -13.242 2.868 1.00 0.00 H new ATOM 0 HB2 ARG A 85 10.401 -12.095 4.884 1.00 0.00 H new ATOM 0 HB3 ARG A 85 10.704 -13.539 3.939 1.00 0.00 H new ATOM 0 HG2 ARG A 85 10.257 -10.751 2.791 1.00 0.00 H new ATOM 0 HG3 ARG A 85 11.817 -11.524 3.000 1.00 0.00 H new ATOM 0 HD2 ARG A 85 11.069 -13.365 1.437 1.00 0.00 H new ATOM 0 HD3 ARG A 85 9.570 -12.495 1.175 1.00 0.00 H new ATOM 0 HE ARG A 85 12.244 -11.796 0.146 1.00 0.00 H new ATOM 0 HH11 ARG A 85 8.925 -10.618 0.639 1.00 0.00 H new ATOM 0 HH12 ARG A 85 9.079 -9.383 -0.615 1.00 0.00 H new ATOM 0 HH21 ARG A 85 12.398 -10.235 -1.448 1.00 0.00 H new ATOM 0 HH22 ARG A 85 11.032 -9.167 -1.788 1.00 0.00 H new ATOM 1353 N PHE A 86 8.816 -15.087 4.888 1.00 0.00 N ATOM 1354 CA PHE A 86 8.558 -16.128 5.875 1.00 0.00 C ATOM 1355 C PHE A 86 9.819 -16.340 6.715 1.00 0.00 C ATOM 1356 O PHE A 86 10.909 -16.438 6.140 1.00 0.00 O ATOM 1357 CB PHE A 86 8.106 -17.420 5.183 1.00 0.00 C ATOM 1358 CG PHE A 86 7.537 -18.433 6.155 1.00 0.00 C ATOM 1359 CD1 PHE A 86 6.160 -18.427 6.448 1.00 0.00 C ATOM 1360 CD2 PHE A 86 8.382 -19.362 6.789 1.00 0.00 C ATOM 1361 CE1 PHE A 86 5.634 -19.325 7.390 1.00 0.00 C ATOM 1362 CE2 PHE A 86 7.851 -20.277 7.713 1.00 0.00 C ATOM 1363 CZ PHE A 86 6.479 -20.250 8.020 1.00 0.00 C ATOM 0 H PHE A 86 9.484 -15.365 4.169 1.00 0.00 H new ATOM 0 HA PHE A 86 7.749 -15.823 6.538 1.00 0.00 H new ATOM 0 HB2 PHE A 86 7.354 -17.181 4.431 1.00 0.00 H new ATOM 0 HB3 PHE A 86 8.953 -17.862 4.658 1.00 0.00 H new ATOM 0 HD1 PHE A 86 5.506 -17.729 5.946 1.00 0.00 H new ATOM 0 HD2 PHE A 86 9.439 -19.372 6.565 1.00 0.00 H new ATOM 0 HE1 PHE A 86 4.581 -19.304 7.629 1.00 0.00 H new ATOM 0 HE2 PHE A 86 8.496 -21.001 8.188 1.00 0.00 H new ATOM 0 HZ PHE A 86 6.075 -20.943 8.743 1.00 0.00 H new ATOM 1373 N SER A 87 9.687 -16.438 8.043 1.00 0.00 N ATOM 1374 CA SER A 87 10.841 -16.444 8.948 1.00 0.00 C ATOM 1375 C SER A 87 10.735 -17.526 10.028 1.00 0.00 C ATOM 1376 O SER A 87 9.680 -17.729 10.627 1.00 0.00 O ATOM 1377 CB SER A 87 10.961 -15.062 9.609 1.00 0.00 C ATOM 1378 OG SER A 87 10.988 -14.024 8.637 1.00 0.00 O ATOM 0 H SER A 87 8.787 -16.515 8.516 1.00 0.00 H new ATOM 0 HA SER A 87 11.729 -16.669 8.357 1.00 0.00 H new ATOM 0 HB2 SER A 87 10.121 -14.907 10.287 1.00 0.00 H new ATOM 0 HB3 SER A 87 11.868 -15.022 10.212 1.00 0.00 H new ATOM 0 HG SER A 87 11.063 -13.157 9.087 1.00 0.00 H new ATOM 1384 N ILE A 88 11.846 -18.196 10.335 1.00 0.00 N ATOM 1385 CA ILE A 88 11.959 -18.960 11.573 1.00 0.00 C ATOM 1386 C ILE A 88 12.167 -17.920 12.685 1.00 0.00 C ATOM 1387 O ILE A 88 12.989 -17.012 12.532 1.00 0.00 O ATOM 1388 CB ILE A 88 13.112 -19.986 11.467 1.00 0.00 C ATOM 1389 CG1 ILE A 88 12.855 -20.984 10.309 1.00 0.00 C ATOM 1390 CG2 ILE A 88 13.272 -20.750 12.795 1.00 0.00 C ATOM 1391 CD1 ILE A 88 14.094 -21.786 9.903 1.00 0.00 C ATOM 0 H ILE A 88 12.677 -18.224 9.744 1.00 0.00 H new ATOM 0 HA ILE A 88 11.071 -19.554 11.787 1.00 0.00 H new ATOM 0 HB ILE A 88 14.033 -19.442 11.257 1.00 0.00 H new ATOM 0 HG12 ILE A 88 12.066 -21.676 10.605 1.00 0.00 H new ATOM 0 HG13 ILE A 88 12.488 -20.435 9.442 1.00 0.00 H new ATOM 0 HG21 ILE A 88 14.087 -21.468 12.706 1.00 0.00 H new ATOM 0 HG22 ILE A 88 13.496 -20.045 13.596 1.00 0.00 H new ATOM 0 HG23 ILE A 88 12.346 -21.278 13.025 1.00 0.00 H new ATOM 0 HD11 ILE A 88 13.838 -22.463 9.088 1.00 0.00 H new ATOM 0 HD12 ILE A 88 14.878 -21.103 9.575 1.00 0.00 H new ATOM 0 HD13 ILE A 88 14.449 -22.364 10.756 1.00 0.00 H new ATOM 1403 N VAL A 89 11.435 -18.048 13.790 1.00 0.00 N ATOM 1404 CA VAL A 89 11.508 -17.172 14.956 1.00 0.00 C ATOM 1405 C VAL A 89 11.548 -18.045 16.222 1.00 0.00 C ATOM 1406 O VAL A 89 11.409 -19.270 16.141 1.00 0.00 O ATOM 1407 CB VAL A 89 10.363 -16.125 14.937 1.00 0.00 C ATOM 1408 CG1 VAL A 89 10.358 -15.290 13.645 1.00 0.00 C ATOM 1409 CG2 VAL A 89 8.965 -16.728 15.142 1.00 0.00 C ATOM 0 H VAL A 89 10.748 -18.794 13.901 1.00 0.00 H new ATOM 0 HA VAL A 89 12.423 -16.580 14.941 1.00 0.00 H new ATOM 0 HB VAL A 89 10.578 -15.481 15.790 1.00 0.00 H new ATOM 0 HG11 VAL A 89 9.539 -14.572 13.679 1.00 0.00 H new ATOM 0 HG12 VAL A 89 11.304 -14.757 13.553 1.00 0.00 H new ATOM 0 HG13 VAL A 89 10.227 -15.949 12.787 1.00 0.00 H new ATOM 0 HG21 VAL A 89 8.219 -15.934 15.116 1.00 0.00 H new ATOM 0 HG22 VAL A 89 8.758 -17.446 14.348 1.00 0.00 H new ATOM 0 HG23 VAL A 89 8.924 -17.233 16.107 1.00 0.00 H new ATOM 1419 N TYR A 90 11.771 -17.430 17.389 1.00 0.00 N ATOM 1420 CA TYR A 90 12.193 -18.142 18.600 1.00 0.00 C ATOM 1421 C TYR A 90 11.449 -17.662 19.859 1.00 0.00 C ATOM 1422 O TYR A 90 11.831 -18.028 20.975 1.00 0.00 O ATOM 1423 CB TYR A 90 13.720 -17.999 18.751 1.00 0.00 C ATOM 1424 CG TYR A 90 14.517 -18.447 17.533 1.00 0.00 C ATOM 1425 CD1 TYR A 90 14.797 -19.813 17.336 1.00 0.00 C ATOM 1426 CD2 TYR A 90 14.947 -17.501 16.581 1.00 0.00 C ATOM 1427 CE1 TYR A 90 15.499 -20.236 16.193 1.00 0.00 C ATOM 1428 CE2 TYR A 90 15.642 -17.916 15.431 1.00 0.00 C ATOM 1429 CZ TYR A 90 15.921 -19.289 15.231 1.00 0.00 C ATOM 1430 OH TYR A 90 16.596 -19.710 14.124 1.00 0.00 O ATOM 0 H TYR A 90 11.664 -16.424 17.520 1.00 0.00 H new ATOM 0 HA TYR A 90 11.933 -19.195 18.493 1.00 0.00 H new ATOM 0 HB2 TYR A 90 13.956 -16.956 18.961 1.00 0.00 H new ATOM 0 HB3 TYR A 90 14.043 -18.579 19.615 1.00 0.00 H new ATOM 0 HD1 TYR A 90 14.471 -20.539 18.066 1.00 0.00 H new ATOM 0 HD2 TYR A 90 14.742 -16.452 16.735 1.00 0.00 H new ATOM 0 HE1 TYR A 90 15.716 -21.284 16.050 1.00 0.00 H new ATOM 0 HE2 TYR A 90 15.963 -17.187 14.701 1.00 0.00 H new ATOM 0 HH TYR A 90 16.814 -18.938 13.561 1.00 0.00 H new ATOM 1440 N SER A 91 10.385 -16.867 19.698 1.00 0.00 N ATOM 1441 CA SER A 91 9.597 -16.286 20.781 1.00 0.00 C ATOM 1442 C SER A 91 8.133 -16.326 20.361 1.00 0.00 C ATOM 1443 O SER A 91 7.303 -16.840 21.140 1.00 0.00 O ATOM 1444 CB SER A 91 10.045 -14.843 21.061 1.00 0.00 C ATOM 1445 OG SER A 91 11.438 -14.776 21.347 1.00 0.00 O ATOM 1446 OXT SER A 91 7.823 -15.898 19.231 1.00 0.00 O ATOM 0 H SER A 91 10.040 -16.604 18.775 1.00 0.00 H new ATOM 0 HA SER A 91 9.740 -16.853 21.701 1.00 0.00 H new ATOM 0 HB2 SER A 91 9.819 -14.217 20.198 1.00 0.00 H new ATOM 0 HB3 SER A 91 9.480 -14.442 21.902 1.00 0.00 H new ATOM 0 HG SER A 91 11.692 -13.845 21.519 1.00 0.00 H new TER 1452 SER A 91 HETATM 1453 P PO4 A 92 13.472 -28.552 14.890 1.00 0.00 P HETATM 1454 O1 PO4 A 92 13.083 -29.880 14.394 1.00 0.00 O HETATM 1455 O2 PO4 A 92 12.423 -27.558 14.603 1.00 0.00 O HETATM 1456 O3 PO4 A 92 13.681 -28.614 16.344 1.00 0.00 O HETATM 1457 O4 PO4 A 92 14.733 -28.133 14.257 1.00 0.00 O