USER MOD reduce.3.24.130724 H: found=0, std=0, add=903, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 739 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 10 HIS : no HE2:sc= -7.99! C(o=-9!,f=-14!) USER MOD Set 1.2: A 55 TYR OH : rot 180:sc= -1.04 USER MOD Single : A 3 CYS SG : rot 180:sc=-0.00501 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.199 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 HIS : no HD1:sc= -8.27! C(o=-8.3!,f=-5.4!) USER MOD Single : A 12 LYS NZ :NH3+ -146:sc= -0.0235 (180deg=-0.0496) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot -80:sc= -2.88! USER MOD Single : A 21 THR OG1 : rot 57:sc= -2.84! USER MOD Single : A 24 MET CE :methyl -163:sc= -1.63! (180deg=-2.8!) USER MOD Single : A 27 MET CE :methyl 146:sc= -1.84 (180deg=-2.44!) USER MOD Single : A 28 LYS NZ :NH3+ -132:sc= -3.02! (180deg=-7.88!) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 59:sc= 0.125 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= -8.1! C(o=-8.1!,f=-16!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot -175:sc= -0.973! USER MOD Single : A 44 MET CE :methyl 156:sc= -7.55! (180deg=-8.69!) USER MOD Single : A 45 ASN : amide:sc= -3.64! C(o=-3.6!,f=-1.9!) USER MOD Single : A 53 GLN : amide:sc= -0.0864 K(o=-0.086,f=-1.9!) USER MOD Single : A 56 ASN : amide:sc= -1.15 K(o=-1.2,f=0.0041) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= -0.0079 X(o=-0.0079,f=-0.0049) USER MOD Single : A 71 THR OG1 : rot 107:sc= 1.19 USER MOD Single : A 75 MET CE :methyl -150:sc= -0.439 (180deg=-1.79!) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= -1.96! K(o=-2!,f=-1.2) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= -1.59! K(o=-1.6!,f=-0.75) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= -0.454 X(o=-0.45,f=-0.37!) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 SER OG : rot -18:sc= 0.21 USER MOD Single : A 102 SER OG : rot 67:sc= 1.06 USER MOD Single : A 104 SER OG : rot -175:sc= -4.22! USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 3 12.550 9.748 1.329 1.00 0.00 N ATOM 2 CA CYS A 3 12.796 8.938 2.509 1.00 0.00 C ATOM 3 C CYS A 3 14.305 8.902 2.761 1.00 0.00 C ATOM 4 O CYS A 3 14.745 8.693 3.891 1.00 0.00 O ATOM 5 CB CYS A 3 12.207 7.534 2.366 1.00 0.00 C ATOM 6 SG CYS A 3 12.895 6.716 0.880 1.00 0.00 S ATOM 0 HA CYS A 3 12.296 9.383 3.369 1.00 0.00 H new ATOM 0 HB2 CYS A 3 12.433 6.944 3.254 1.00 0.00 H new ATOM 0 HB3 CYS A 3 11.121 7.592 2.290 1.00 0.00 H new ATOM 0 HG CYS A 3 12.390 5.523 0.768 1.00 0.00 H new ATOM 11 N THR A 4 15.056 9.108 1.689 1.00 0.00 N ATOM 12 CA THR A 4 16.507 9.101 1.779 1.00 0.00 C ATOM 13 C THR A 4 17.016 10.450 2.292 1.00 0.00 C ATOM 14 O THR A 4 17.026 10.696 3.497 1.00 0.00 O ATOM 15 CB THR A 4 17.064 8.723 0.405 1.00 0.00 C ATOM 16 OG1 THR A 4 16.212 9.403 -0.514 1.00 0.00 O ATOM 17 CG2 THR A 4 16.860 7.243 0.077 1.00 0.00 C ATOM 0 H THR A 4 14.687 9.281 0.754 1.00 0.00 H new ATOM 0 HA THR A 4 16.855 8.362 2.501 1.00 0.00 H new ATOM 0 HB THR A 4 18.127 8.960 0.367 1.00 0.00 H new ATOM 0 HG1 THR A 4 16.503 9.215 -1.431 1.00 0.00 H new ATOM 0 HG21 THR A 4 17.273 7.028 -0.909 1.00 0.00 H new ATOM 0 HG22 THR A 4 17.367 6.632 0.824 1.00 0.00 H new ATOM 0 HG23 THR A 4 15.795 7.013 0.082 1.00 0.00 H new ATOM 25 N PHE A 5 17.424 11.288 1.351 1.00 0.00 N ATOM 26 CA PHE A 5 17.933 12.606 1.691 1.00 0.00 C ATOM 27 C PHE A 5 17.025 13.705 1.137 1.00 0.00 C ATOM 28 O PHE A 5 16.786 14.711 1.802 1.00 0.00 O ATOM 29 CB PHE A 5 19.317 12.731 1.050 1.00 0.00 C ATOM 30 CG PHE A 5 20.340 13.466 1.917 1.00 0.00 C ATOM 31 CD1 PHE A 5 20.804 12.888 3.058 1.00 0.00 C ATOM 32 CD2 PHE A 5 20.788 14.695 1.546 1.00 0.00 C ATOM 33 CE1 PHE A 5 21.754 13.570 3.863 1.00 0.00 C ATOM 34 CE2 PHE A 5 21.739 15.376 2.351 1.00 0.00 C ATOM 35 CZ PHE A 5 22.201 14.800 3.493 1.00 0.00 C ATOM 0 H PHE A 5 17.413 11.080 0.352 1.00 0.00 H new ATOM 0 HA PHE A 5 17.975 12.720 2.774 1.00 0.00 H new ATOM 0 HB2 PHE A 5 19.695 11.733 0.828 1.00 0.00 H new ATOM 0 HB3 PHE A 5 19.220 13.254 0.099 1.00 0.00 H new ATOM 0 HD1 PHE A 5 20.450 11.911 3.351 1.00 0.00 H new ATOM 0 HD2 PHE A 5 20.421 15.153 0.639 1.00 0.00 H new ATOM 0 HE1 PHE A 5 22.122 13.112 4.769 1.00 0.00 H new ATOM 0 HE2 PHE A 5 22.096 16.352 2.056 1.00 0.00 H new ATOM 0 HZ PHE A 5 22.923 15.319 4.106 1.00 0.00 H new ATOM 44 N PHE A 6 16.543 13.474 -0.076 1.00 0.00 N ATOM 45 CA PHE A 6 15.666 14.433 -0.727 1.00 0.00 C ATOM 46 C PHE A 6 14.545 14.878 0.214 1.00 0.00 C ATOM 47 O PHE A 6 14.500 16.035 0.627 1.00 0.00 O ATOM 48 CB PHE A 6 15.051 13.725 -1.936 1.00 0.00 C ATOM 49 CG PHE A 6 14.123 14.612 -2.769 1.00 0.00 C ATOM 50 CD1 PHE A 6 12.865 14.881 -2.330 1.00 0.00 C ATOM 51 CD2 PHE A 6 14.557 15.130 -3.950 1.00 0.00 C ATOM 52 CE1 PHE A 6 12.003 15.703 -3.103 1.00 0.00 C ATOM 53 CE2 PHE A 6 13.695 15.952 -4.723 1.00 0.00 C ATOM 54 CZ PHE A 6 12.436 16.221 -4.284 1.00 0.00 C ATOM 0 H PHE A 6 16.743 12.638 -0.624 1.00 0.00 H new ATOM 0 HA PHE A 6 16.232 15.318 -1.017 1.00 0.00 H new ATOM 0 HB2 PHE A 6 15.853 13.355 -2.575 1.00 0.00 H new ATOM 0 HB3 PHE A 6 14.492 12.856 -1.590 1.00 0.00 H new ATOM 0 HD1 PHE A 6 12.521 14.469 -1.393 1.00 0.00 H new ATOM 0 HD2 PHE A 6 15.556 14.916 -4.299 1.00 0.00 H new ATOM 0 HE1 PHE A 6 11.004 15.917 -2.753 1.00 0.00 H new ATOM 0 HE2 PHE A 6 14.039 16.364 -5.660 1.00 0.00 H new ATOM 0 HZ PHE A 6 11.780 16.846 -4.873 1.00 0.00 H new ATOM 63 N GLU A 7 13.668 13.935 0.524 1.00 0.00 N ATOM 64 CA GLU A 7 12.550 14.215 1.409 1.00 0.00 C ATOM 65 C GLU A 7 12.825 13.655 2.806 1.00 0.00 C ATOM 66 O GLU A 7 13.979 13.500 3.200 1.00 0.00 O ATOM 67 CB GLU A 7 11.245 13.652 0.840 1.00 0.00 C ATOM 68 CG GLU A 7 10.129 14.697 0.892 1.00 0.00 C ATOM 69 CD GLU A 7 10.349 15.787 -0.160 1.00 0.00 C ATOM 70 OE1 GLU A 7 11.497 16.273 -0.241 1.00 0.00 O ATOM 71 OE2 GLU A 7 9.363 16.109 -0.857 1.00 0.00 O ATOM 0 H GLU A 7 13.709 12.976 0.178 1.00 0.00 H new ATOM 0 HA GLU A 7 12.437 15.296 1.488 1.00 0.00 H new ATOM 0 HB2 GLU A 7 11.401 13.332 -0.190 1.00 0.00 H new ATOM 0 HB3 GLU A 7 10.948 12.769 1.406 1.00 0.00 H new ATOM 0 HG2 GLU A 7 9.166 14.214 0.725 1.00 0.00 H new ATOM 0 HG3 GLU A 7 10.093 15.146 1.884 1.00 0.00 H new ATOM 76 N LYS A 8 11.744 13.368 3.517 1.00 0.00 N ATOM 77 CA LYS A 8 11.854 12.830 4.861 1.00 0.00 C ATOM 78 C LYS A 8 11.290 11.407 4.885 1.00 0.00 C ATOM 79 O LYS A 8 11.883 10.510 5.483 1.00 0.00 O ATOM 80 CB LYS A 8 11.192 13.770 5.872 1.00 0.00 C ATOM 81 CG LYS A 8 12.084 14.979 6.161 1.00 0.00 C ATOM 82 CD LYS A 8 11.244 16.202 6.532 1.00 0.00 C ATOM 83 CE LYS A 8 11.548 17.379 5.601 1.00 0.00 C ATOM 84 NZ LYS A 8 10.861 17.204 4.303 1.00 0.00 N ATOM 0 H LYS A 8 10.788 13.498 3.187 1.00 0.00 H new ATOM 0 HA LYS A 8 12.900 12.764 5.159 1.00 0.00 H new ATOM 0 HB2 LYS A 8 10.230 14.107 5.485 1.00 0.00 H new ATOM 0 HB3 LYS A 8 10.992 13.231 6.798 1.00 0.00 H new ATOM 0 HG2 LYS A 8 12.770 14.744 6.975 1.00 0.00 H new ATOM 0 HG3 LYS A 8 12.693 15.204 5.286 1.00 0.00 H new ATOM 0 HD2 LYS A 8 10.185 15.952 6.473 1.00 0.00 H new ATOM 0 HD3 LYS A 8 11.447 16.488 7.564 1.00 0.00 H new ATOM 0 HE2 LYS A 8 11.227 18.311 6.066 1.00 0.00 H new ATOM 0 HE3 LYS A 8 12.624 17.456 5.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 11.078 18.011 3.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 11.187 16.325 3.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 9.834 17.153 4.458 1.00 0.00 H new ATOM 94 N HIS A 9 10.154 11.245 4.225 1.00 0.00 N ATOM 95 CA HIS A 9 9.503 9.947 4.162 1.00 0.00 C ATOM 96 C HIS A 9 8.005 10.134 3.917 1.00 0.00 C ATOM 97 O HIS A 9 7.322 9.206 3.485 1.00 0.00 O ATOM 98 CB HIS A 9 9.800 9.128 5.420 1.00 0.00 C ATOM 99 CG HIS A 9 9.721 9.923 6.702 1.00 0.00 C ATOM 100 ND1 HIS A 9 9.959 9.365 7.945 1.00 0.00 N ATOM 101 CD2 HIS A 9 9.428 11.237 6.919 1.00 0.00 C ATOM 102 CE1 HIS A 9 9.813 10.310 8.863 1.00 0.00 C ATOM 103 NE2 HIS A 9 9.483 11.470 8.225 1.00 0.00 N ATOM 0 H HIS A 9 9.667 11.991 3.729 1.00 0.00 H new ATOM 0 HA HIS A 9 9.904 9.377 3.324 1.00 0.00 H new ATOM 0 HB2 HIS A 9 9.096 8.298 5.475 1.00 0.00 H new ATOM 0 HB3 HIS A 9 10.797 8.696 5.333 1.00 0.00 H new ATOM 0 HD2 HIS A 9 9.191 11.965 6.157 1.00 0.00 H new ATOM 0 HE1 HIS A 9 9.934 10.184 9.929 1.00 0.00 H new ATOM 0 HE2 HIS A 9 9.308 12.368 8.677 1.00 0.00 H new ATOM 110 N HIS A 10 7.538 11.341 4.202 1.00 0.00 N ATOM 111 CA HIS A 10 6.133 11.662 4.018 1.00 0.00 C ATOM 112 C HIS A 10 5.287 10.851 5.003 1.00 0.00 C ATOM 113 O HIS A 10 4.271 10.272 4.623 1.00 0.00 O ATOM 114 CB HIS A 10 5.713 11.451 2.562 1.00 0.00 C ATOM 115 CG HIS A 10 6.867 11.424 1.588 1.00 0.00 C ATOM 116 ND1 HIS A 10 6.910 10.571 0.499 1.00 0.00 N ATOM 117 CD2 HIS A 10 8.018 12.154 1.550 1.00 0.00 C ATOM 118 CE1 HIS A 10 8.040 10.787 -0.157 1.00 0.00 C ATOM 119 NE2 HIS A 10 8.726 11.767 0.496 1.00 0.00 N ATOM 0 H HIS A 10 8.108 12.108 4.559 1.00 0.00 H new ATOM 0 HA HIS A 10 5.967 12.717 4.234 1.00 0.00 H new ATOM 0 HB2 HIS A 10 5.164 10.512 2.485 1.00 0.00 H new ATOM 0 HB3 HIS A 10 5.026 12.247 2.274 1.00 0.00 H new ATOM 0 HD1 HIS A 10 6.193 9.891 0.245 1.00 0.00 H new ATOM 0 HD2 HIS A 10 8.305 12.918 2.258 1.00 0.00 H new ATOM 0 HE1 HIS A 10 8.362 10.276 -1.053 1.00 0.00 H new ATOM 126 N ARG A 11 5.740 10.836 6.247 1.00 0.00 N ATOM 127 CA ARG A 11 5.037 10.106 7.290 1.00 0.00 C ATOM 128 C ARG A 11 5.261 8.600 7.126 1.00 0.00 C ATOM 129 O ARG A 11 4.424 7.797 7.532 1.00 0.00 O ATOM 130 CB ARG A 11 3.536 10.398 7.251 1.00 0.00 C ATOM 131 CG ARG A 11 2.849 9.907 8.527 1.00 0.00 C ATOM 132 CD ARG A 11 3.764 10.076 9.742 1.00 0.00 C ATOM 133 NE ARG A 11 3.018 9.777 10.984 1.00 0.00 N ATOM 134 CZ ARG A 11 2.072 10.572 11.503 1.00 0.00 C ATOM 135 NH1 ARG A 11 1.753 11.721 10.889 1.00 0.00 N ATOM 136 NH2 ARG A 11 1.447 10.221 12.634 1.00 0.00 N ATOM 0 H ARG A 11 6.584 11.317 6.557 1.00 0.00 H new ATOM 0 HA ARG A 11 5.434 10.434 8.250 1.00 0.00 H new ATOM 0 HB2 ARG A 11 3.373 11.470 7.135 1.00 0.00 H new ATOM 0 HB3 ARG A 11 3.090 9.912 6.383 1.00 0.00 H new ATOM 0 HG2 ARG A 11 1.924 10.463 8.683 1.00 0.00 H new ATOM 0 HG3 ARG A 11 2.575 8.858 8.416 1.00 0.00 H new ATOM 0 HD2 ARG A 11 4.623 9.411 9.655 1.00 0.00 H new ATOM 0 HD3 ARG A 11 4.151 11.094 9.777 1.00 0.00 H new ATOM 0 HE ARG A 11 3.237 8.911 11.476 1.00 0.00 H new ATOM 0 HH11 ARG A 11 2.230 11.989 10.028 1.00 0.00 H new ATOM 0 HH12 ARG A 11 1.033 12.327 11.283 1.00 0.00 H new ATOM 0 HH21 ARG A 11 1.691 9.348 13.101 1.00 0.00 H new ATOM 0 HH22 ARG A 11 0.727 10.827 13.028 1.00 0.00 H new ATOM 147 N LYS A 12 6.396 8.265 6.529 1.00 0.00 N ATOM 148 CA LYS A 12 6.740 6.871 6.306 1.00 0.00 C ATOM 149 C LYS A 12 5.790 6.274 5.267 1.00 0.00 C ATOM 150 O LYS A 12 5.461 5.090 5.328 1.00 0.00 O ATOM 151 CB LYS A 12 6.762 6.106 7.631 1.00 0.00 C ATOM 152 CG LYS A 12 8.124 6.233 8.316 1.00 0.00 C ATOM 153 CD LYS A 12 8.323 5.125 9.352 1.00 0.00 C ATOM 154 CE LYS A 12 9.781 5.056 9.809 1.00 0.00 C ATOM 155 NZ LYS A 12 10.303 3.678 9.670 1.00 0.00 N ATOM 0 H LYS A 12 7.088 8.935 6.193 1.00 0.00 H new ATOM 0 HA LYS A 12 7.748 6.789 5.900 1.00 0.00 H new ATOM 0 HB2 LYS A 12 5.983 6.490 8.289 1.00 0.00 H new ATOM 0 HB3 LYS A 12 6.538 5.054 7.451 1.00 0.00 H new ATOM 0 HG2 LYS A 12 8.916 6.184 7.569 1.00 0.00 H new ATOM 0 HG3 LYS A 12 8.202 7.206 8.800 1.00 0.00 H new ATOM 0 HD2 LYS A 12 7.677 5.306 10.211 1.00 0.00 H new ATOM 0 HD3 LYS A 12 8.026 4.167 8.926 1.00 0.00 H new ATOM 0 HE2 LYS A 12 10.387 5.742 9.217 1.00 0.00 H new ATOM 0 HE3 LYS A 12 9.858 5.377 10.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 10.980 3.484 10.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 9.515 3.001 9.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 10.781 3.579 8.752 1.00 0.00 H new ATOM 165 N TRP A 13 5.373 7.121 4.338 1.00 0.00 N ATOM 166 CA TRP A 13 4.466 6.693 3.287 1.00 0.00 C ATOM 167 C TRP A 13 5.260 5.842 2.294 1.00 0.00 C ATOM 168 O TRP A 13 4.933 4.677 2.069 1.00 0.00 O ATOM 169 CB TRP A 13 3.781 7.894 2.630 1.00 0.00 C ATOM 170 CG TRP A 13 2.959 7.539 1.389 1.00 0.00 C ATOM 171 CD1 TRP A 13 2.719 6.324 0.878 1.00 0.00 C ATOM 172 CD2 TRP A 13 2.273 8.464 0.520 1.00 0.00 C ATOM 173 NE1 TRP A 13 1.933 6.398 -0.254 1.00 0.00 N ATOM 174 CE2 TRP A 13 1.653 7.740 -0.478 1.00 0.00 C ATOM 175 CE3 TRP A 13 2.180 9.866 0.573 1.00 0.00 C ATOM 176 CZ2 TRP A 13 0.896 8.332 -1.497 1.00 0.00 C ATOM 177 CZ3 TRP A 13 1.420 10.442 -0.451 1.00 0.00 C ATOM 178 CH2 TRP A 13 0.789 9.727 -1.463 1.00 0.00 C ATOM 0 H TRP A 13 5.647 8.102 4.291 1.00 0.00 H new ATOM 0 HA TRP A 13 3.659 6.087 3.698 1.00 0.00 H new ATOM 0 HB2 TRP A 13 3.129 8.372 3.361 1.00 0.00 H new ATOM 0 HB3 TRP A 13 4.540 8.626 2.353 1.00 0.00 H new ATOM 0 HD1 TRP A 13 3.093 5.403 1.299 1.00 0.00 H new ATOM 0 HE1 TRP A 13 1.616 5.612 -0.822 1.00 0.00 H new ATOM 0 HE3 TRP A 13 2.658 10.452 1.344 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 0.420 7.744 -2.268 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 1.316 11.517 -0.456 1.00 0.00 H new ATOM 0 HH2 TRP A 13 0.219 10.246 -2.219 1.00 0.00 H new ATOM 188 N ASP A 14 6.288 6.455 1.728 1.00 0.00 N ATOM 189 CA ASP A 14 7.132 5.768 0.765 1.00 0.00 C ATOM 190 C ASP A 14 7.953 4.696 1.486 1.00 0.00 C ATOM 191 O ASP A 14 8.245 3.645 0.916 1.00 0.00 O ATOM 192 CB ASP A 14 8.108 6.739 0.096 1.00 0.00 C ATOM 193 CG ASP A 14 7.510 7.580 -1.033 1.00 0.00 C ATOM 194 OD1 ASP A 14 6.617 8.397 -0.720 1.00 0.00 O ATOM 195 OD2 ASP A 14 7.959 7.387 -2.184 1.00 0.00 O ATOM 0 H ASP A 14 6.556 7.421 1.918 1.00 0.00 H new ATOM 0 HA ASP A 14 6.486 5.325 0.007 1.00 0.00 H new ATOM 0 HB2 ASP A 14 8.508 7.410 0.856 1.00 0.00 H new ATOM 0 HB3 ASP A 14 8.949 6.170 -0.301 1.00 0.00 H new ATOM 199 N ILE A 15 8.300 4.998 2.728 1.00 0.00 N ATOM 200 CA ILE A 15 9.081 4.073 3.532 1.00 0.00 C ATOM 201 C ILE A 15 8.241 2.829 3.831 1.00 0.00 C ATOM 202 O ILE A 15 8.768 1.720 3.895 1.00 0.00 O ATOM 203 CB ILE A 15 9.613 4.770 4.786 1.00 0.00 C ATOM 204 CG1 ILE A 15 10.852 5.608 4.461 1.00 0.00 C ATOM 205 CG2 ILE A 15 9.881 3.760 5.904 1.00 0.00 C ATOM 206 CD1 ILE A 15 11.460 6.203 5.733 1.00 0.00 C ATOM 0 H ILE A 15 8.055 5.870 3.197 1.00 0.00 H new ATOM 0 HA ILE A 15 9.961 3.740 2.982 1.00 0.00 H new ATOM 0 HB ILE A 15 8.846 5.454 5.149 1.00 0.00 H new ATOM 0 HG12 ILE A 15 11.592 4.988 3.955 1.00 0.00 H new ATOM 0 HG13 ILE A 15 10.583 6.409 3.773 1.00 0.00 H new ATOM 0 HG21 ILE A 15 10.258 4.282 6.783 1.00 0.00 H new ATOM 0 HG22 ILE A 15 8.955 3.244 6.158 1.00 0.00 H new ATOM 0 HG23 ILE A 15 10.621 3.033 5.568 1.00 0.00 H new ATOM 0 HD11 ILE A 15 12.339 6.794 5.474 1.00 0.00 H new ATOM 0 HD12 ILE A 15 10.725 6.841 6.223 1.00 0.00 H new ATOM 0 HD13 ILE A 15 11.750 5.398 6.409 1.00 0.00 H new ATOM 217 N LEU A 16 6.947 3.056 4.005 1.00 0.00 N ATOM 218 CA LEU A 16 6.029 1.968 4.296 1.00 0.00 C ATOM 219 C LEU A 16 5.558 1.339 2.983 1.00 0.00 C ATOM 220 O LEU A 16 5.227 0.155 2.940 1.00 0.00 O ATOM 221 CB LEU A 16 4.887 2.454 5.190 1.00 0.00 C ATOM 222 CG LEU A 16 3.929 1.376 5.702 1.00 0.00 C ATOM 223 CD1 LEU A 16 2.858 1.054 4.659 1.00 0.00 C ATOM 224 CD2 LEU A 16 4.696 0.127 6.142 1.00 0.00 C ATOM 0 H LEU A 16 6.513 3.977 3.950 1.00 0.00 H new ATOM 0 HA LEU A 16 6.534 1.185 4.862 1.00 0.00 H new ATOM 0 HB2 LEU A 16 5.318 2.966 6.050 1.00 0.00 H new ATOM 0 HB3 LEU A 16 4.308 3.193 4.636 1.00 0.00 H new ATOM 0 HG LEU A 16 3.414 1.765 6.581 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.191 0.285 5.048 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.284 1.954 4.437 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.335 0.693 3.748 1.00 0.00 H new ATOM 0 HD21 LEU A 16 3.993 -0.624 6.502 1.00 0.00 H new ATOM 0 HD22 LEU A 16 5.254 -0.274 5.296 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.388 0.388 6.942 1.00 0.00 H new ATOM 235 N LEU A 17 5.543 2.161 1.943 1.00 0.00 N ATOM 236 CA LEU A 17 5.117 1.700 0.632 1.00 0.00 C ATOM 237 C LEU A 17 6.293 1.020 -0.072 1.00 0.00 C ATOM 238 O LEU A 17 6.124 0.418 -1.131 1.00 0.00 O ATOM 239 CB LEU A 17 4.505 2.853 -0.168 1.00 0.00 C ATOM 240 CG LEU A 17 4.520 2.695 -1.690 1.00 0.00 C ATOM 241 CD1 LEU A 17 3.351 3.445 -2.330 1.00 0.00 C ATOM 242 CD2 LEU A 17 5.867 3.127 -2.273 1.00 0.00 C ATOM 0 H LEU A 17 5.819 3.142 1.982 1.00 0.00 H new ATOM 0 HA LEU A 17 4.328 0.954 0.728 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.472 2.984 0.154 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.037 3.769 0.088 1.00 0.00 H new ATOM 0 HG LEU A 17 4.392 1.638 -1.925 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.385 3.317 -3.412 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.411 3.048 -1.947 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.423 4.505 -2.088 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.851 3.005 -3.356 1.00 0.00 H new ATOM 0 HD22 LEU A 17 6.050 4.173 -2.029 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.661 2.511 -1.850 1.00 0.00 H new ATOM 253 N GLU A 18 7.460 1.139 0.546 1.00 0.00 N ATOM 254 CA GLU A 18 8.663 0.543 -0.008 1.00 0.00 C ATOM 255 C GLU A 18 9.183 -0.561 0.917 1.00 0.00 C ATOM 256 O GLU A 18 9.916 -1.446 0.480 1.00 0.00 O ATOM 257 CB GLU A 18 9.739 1.604 -0.251 1.00 0.00 C ATOM 258 CG GLU A 18 10.933 1.012 -1.000 1.00 0.00 C ATOM 259 CD GLU A 18 12.145 1.944 -0.923 1.00 0.00 C ATOM 260 OE1 GLU A 18 12.382 2.476 0.182 1.00 0.00 O ATOM 261 OE2 GLU A 18 12.807 2.102 -1.973 1.00 0.00 O ATOM 0 H GLU A 18 7.597 1.639 1.424 1.00 0.00 H new ATOM 0 HA GLU A 18 8.413 0.097 -0.971 1.00 0.00 H new ATOM 0 HB2 GLU A 18 9.318 2.429 -0.825 1.00 0.00 H new ATOM 0 HB3 GLU A 18 10.071 2.016 0.702 1.00 0.00 H new ATOM 0 HG2 GLU A 18 11.189 0.041 -0.575 1.00 0.00 H new ATOM 0 HG3 GLU A 18 10.665 0.843 -2.043 1.00 0.00 H new ATOM 266 N LYS A 19 8.780 -0.472 2.176 1.00 0.00 N ATOM 267 CA LYS A 19 9.196 -1.451 3.165 1.00 0.00 C ATOM 268 C LYS A 19 8.156 -2.572 3.234 1.00 0.00 C ATOM 269 O LYS A 19 8.508 -3.752 3.231 1.00 0.00 O ATOM 270 CB LYS A 19 9.460 -0.775 4.512 1.00 0.00 C ATOM 271 CG LYS A 19 10.688 0.134 4.437 1.00 0.00 C ATOM 272 CD LYS A 19 11.974 -0.661 4.669 1.00 0.00 C ATOM 273 CE LYS A 19 12.512 -0.434 6.083 1.00 0.00 C ATOM 274 NZ LYS A 19 13.901 -0.936 6.197 1.00 0.00 N ATOM 0 H LYS A 19 8.170 0.263 2.534 1.00 0.00 H new ATOM 0 HA LYS A 19 10.142 -1.908 2.874 1.00 0.00 H new ATOM 0 HB2 LYS A 19 8.588 -0.191 4.807 1.00 0.00 H new ATOM 0 HB3 LYS A 19 9.611 -1.533 5.280 1.00 0.00 H new ATOM 0 HG2 LYS A 19 10.727 0.619 3.461 1.00 0.00 H new ATOM 0 HG3 LYS A 19 10.606 0.925 5.183 1.00 0.00 H new ATOM 0 HD2 LYS A 19 11.782 -1.723 4.515 1.00 0.00 H new ATOM 0 HD3 LYS A 19 12.726 -0.364 3.938 1.00 0.00 H new ATOM 0 HE2 LYS A 19 12.482 0.629 6.323 1.00 0.00 H new ATOM 0 HE3 LYS A 19 11.875 -0.942 6.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 14.251 -0.774 7.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 13.920 -1.955 5.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 14.509 -0.432 5.520 1.00 0.00 H new ATOM 284 N SER A 20 6.897 -2.166 3.293 1.00 0.00 N ATOM 285 CA SER A 20 5.804 -3.121 3.363 1.00 0.00 C ATOM 286 C SER A 20 5.336 -3.484 1.952 1.00 0.00 C ATOM 287 O SER A 20 5.444 -4.636 1.535 1.00 0.00 O ATOM 288 CB SER A 20 4.637 -2.565 4.182 1.00 0.00 C ATOM 289 OG SER A 20 4.954 -2.475 5.568 1.00 0.00 O ATOM 0 H SER A 20 6.609 -1.188 3.294 1.00 0.00 H new ATOM 0 HA SER A 20 6.167 -4.020 3.862 1.00 0.00 H new ATOM 0 HB2 SER A 20 4.368 -1.578 3.807 1.00 0.00 H new ATOM 0 HB3 SER A 20 3.764 -3.205 4.050 1.00 0.00 H new ATOM 0 HG SER A 20 4.858 -3.357 5.984 1.00 0.00 H new ATOM 294 N THR A 21 4.827 -2.478 1.254 1.00 0.00 N ATOM 295 CA THR A 21 4.343 -2.678 -0.101 1.00 0.00 C ATOM 296 C THR A 21 5.501 -2.601 -1.098 1.00 0.00 C ATOM 297 O THR A 21 5.329 -2.126 -2.219 1.00 0.00 O ATOM 298 CB THR A 21 3.244 -1.646 -0.367 1.00 0.00 C ATOM 299 OG1 THR A 21 3.954 -0.476 -0.761 1.00 0.00 O ATOM 300 CG2 THR A 21 2.513 -1.228 0.911 1.00 0.00 C ATOM 0 H THR A 21 4.740 -1.523 1.602 1.00 0.00 H new ATOM 0 HA THR A 21 3.914 -3.672 -0.225 1.00 0.00 H new ATOM 0 HB THR A 21 2.526 -2.055 -1.078 1.00 0.00 H new ATOM 0 HG1 THR A 21 4.523 -0.683 -1.532 1.00 0.00 H new ATOM 0 HG21 THR A 21 1.744 -0.495 0.667 1.00 0.00 H new ATOM 0 HG22 THR A 21 2.049 -2.102 1.367 1.00 0.00 H new ATOM 0 HG23 THR A 21 3.225 -0.788 1.610 1.00 0.00 H new ATOM 308 N GLY A 22 6.654 -3.078 -0.653 1.00 0.00 N ATOM 309 CA GLY A 22 7.841 -3.070 -1.492 1.00 0.00 C ATOM 310 C GLY A 22 8.741 -4.266 -1.180 1.00 0.00 C ATOM 311 O GLY A 22 9.914 -4.280 -1.551 1.00 0.00 O ATOM 0 H GLY A 22 6.792 -3.473 0.277 1.00 0.00 H new ATOM 0 HA2 GLY A 22 7.549 -3.094 -2.542 1.00 0.00 H new ATOM 0 HA3 GLY A 22 8.394 -2.144 -1.337 1.00 0.00 H new ATOM 315 N VAL A 23 8.158 -5.243 -0.501 1.00 0.00 N ATOM 316 CA VAL A 23 8.893 -6.442 -0.134 1.00 0.00 C ATOM 317 C VAL A 23 8.320 -7.639 -0.893 1.00 0.00 C ATOM 318 O VAL A 23 9.065 -8.509 -1.344 1.00 0.00 O ATOM 319 CB VAL A 23 8.866 -6.628 1.384 1.00 0.00 C ATOM 320 CG1 VAL A 23 10.155 -6.106 2.024 1.00 0.00 C ATOM 321 CG2 VAL A 23 7.637 -5.955 1.998 1.00 0.00 C ATOM 0 H VAL A 23 7.185 -5.229 -0.195 1.00 0.00 H new ATOM 0 HA VAL A 23 9.941 -6.349 -0.418 1.00 0.00 H new ATOM 0 HB VAL A 23 8.799 -7.697 1.589 1.00 0.00 H new ATOM 0 HG11 VAL A 23 10.110 -6.250 3.103 1.00 0.00 H new ATOM 0 HG12 VAL A 23 11.008 -6.651 1.621 1.00 0.00 H new ATOM 0 HG13 VAL A 23 10.266 -5.044 1.804 1.00 0.00 H new ATOM 0 HG21 VAL A 23 7.643 -6.103 3.078 1.00 0.00 H new ATOM 0 HG22 VAL A 23 7.658 -4.888 1.778 1.00 0.00 H new ATOM 0 HG23 VAL A 23 6.733 -6.394 1.577 1.00 0.00 H new ATOM 331 N MET A 24 7.000 -7.646 -1.013 1.00 0.00 N ATOM 332 CA MET A 24 6.318 -8.723 -1.711 1.00 0.00 C ATOM 333 C MET A 24 6.121 -9.933 -0.795 1.00 0.00 C ATOM 334 O MET A 24 6.293 -11.073 -1.221 1.00 0.00 O ATOM 335 CB MET A 24 7.137 -9.138 -2.935 1.00 0.00 C ATOM 336 CG MET A 24 6.230 -9.388 -4.143 1.00 0.00 C ATOM 337 SD MET A 24 6.446 -8.091 -5.348 1.00 0.00 S ATOM 338 CE MET A 24 6.560 -6.677 -4.264 1.00 0.00 C ATOM 0 H MET A 24 6.385 -6.923 -0.639 1.00 0.00 H new ATOM 0 HA MET A 24 5.337 -8.364 -2.023 1.00 0.00 H new ATOM 0 HB2 MET A 24 7.861 -8.359 -3.174 1.00 0.00 H new ATOM 0 HB3 MET A 24 7.704 -10.041 -2.708 1.00 0.00 H new ATOM 0 HG2 MET A 24 6.465 -10.354 -4.590 1.00 0.00 H new ATOM 0 HG3 MET A 24 5.189 -9.429 -3.824 1.00 0.00 H new ATOM 0 HE1 MET A 24 6.395 -5.765 -4.837 1.00 0.00 H new ATOM 0 HE2 MET A 24 5.804 -6.756 -3.482 1.00 0.00 H new ATOM 0 HE3 MET A 24 7.550 -6.646 -3.810 1.00 0.00 H new ATOM 346 N GLU A 25 5.763 -9.641 0.448 1.00 0.00 N ATOM 347 CA GLU A 25 5.541 -10.690 1.428 1.00 0.00 C ATOM 348 C GLU A 25 6.788 -10.880 2.294 1.00 0.00 C ATOM 349 O GLU A 25 6.758 -11.616 3.279 1.00 0.00 O ATOM 350 CB GLU A 25 5.143 -12.001 0.747 1.00 0.00 C ATOM 351 CG GLU A 25 4.347 -12.894 1.700 1.00 0.00 C ATOM 352 CD GLU A 25 4.149 -14.291 1.108 1.00 0.00 C ATOM 353 OE1 GLU A 25 3.478 -14.373 0.056 1.00 0.00 O ATOM 354 OE2 GLU A 25 4.676 -15.247 1.718 1.00 0.00 O ATOM 0 H GLU A 25 5.621 -8.693 0.798 1.00 0.00 H new ATOM 0 HA GLU A 25 4.716 -10.388 2.073 1.00 0.00 H new ATOM 0 HB2 GLU A 25 4.547 -11.788 -0.140 1.00 0.00 H new ATOM 0 HB3 GLU A 25 6.037 -12.527 0.412 1.00 0.00 H new ATOM 0 HG2 GLU A 25 4.869 -12.970 2.654 1.00 0.00 H new ATOM 0 HG3 GLU A 25 3.377 -12.441 1.903 1.00 0.00 H new ATOM 359 N ALA A 26 7.855 -10.201 1.897 1.00 0.00 N ATOM 360 CA ALA A 26 9.109 -10.286 2.625 1.00 0.00 C ATOM 361 C ALA A 26 9.004 -9.461 3.910 1.00 0.00 C ATOM 362 O ALA A 26 9.796 -9.640 4.834 1.00 0.00 O ATOM 363 CB ALA A 26 10.254 -9.819 1.725 1.00 0.00 C ATOM 0 H ALA A 26 7.876 -9.590 1.081 1.00 0.00 H new ATOM 0 HA ALA A 26 9.318 -11.317 2.911 1.00 0.00 H new ATOM 0 HB1 ALA A 26 11.195 -9.883 2.271 1.00 0.00 H new ATOM 0 HB2 ALA A 26 10.304 -10.454 0.841 1.00 0.00 H new ATOM 0 HB3 ALA A 26 10.080 -8.787 1.421 1.00 0.00 H new ATOM 369 N MET A 27 8.020 -8.573 3.926 1.00 0.00 N ATOM 370 CA MET A 27 7.802 -7.719 5.082 1.00 0.00 C ATOM 371 C MET A 27 6.386 -7.140 5.077 1.00 0.00 C ATOM 372 O MET A 27 6.119 -6.136 5.735 1.00 0.00 O ATOM 373 CB MET A 27 8.820 -6.578 5.073 1.00 0.00 C ATOM 374 CG MET A 27 9.608 -6.537 6.385 1.00 0.00 C ATOM 375 SD MET A 27 11.042 -7.594 6.268 1.00 0.00 S ATOM 376 CE MET A 27 10.528 -8.930 7.334 1.00 0.00 C ATOM 0 H MET A 27 7.365 -8.427 3.158 1.00 0.00 H new ATOM 0 HA MET A 27 7.925 -8.320 5.983 1.00 0.00 H new ATOM 0 HB2 MET A 27 9.507 -6.705 4.236 1.00 0.00 H new ATOM 0 HB3 MET A 27 8.306 -5.628 4.923 1.00 0.00 H new ATOM 0 HG2 MET A 27 9.916 -5.514 6.602 1.00 0.00 H new ATOM 0 HG3 MET A 27 8.974 -6.861 7.210 1.00 0.00 H new ATOM 0 HE1 MET A 27 10.926 -9.871 6.955 1.00 0.00 H new ATOM 0 HE2 MET A 27 10.904 -8.756 8.342 1.00 0.00 H new ATOM 0 HE3 MET A 27 9.439 -8.979 7.357 1.00 0.00 H new ATOM 384 N LYS A 28 5.515 -7.799 4.325 1.00 0.00 N ATOM 385 CA LYS A 28 4.133 -7.362 4.225 1.00 0.00 C ATOM 386 C LYS A 28 3.218 -8.441 4.808 1.00 0.00 C ATOM 387 O LYS A 28 2.055 -8.177 5.108 1.00 0.00 O ATOM 388 CB LYS A 28 3.794 -6.983 2.782 1.00 0.00 C ATOM 389 CG LYS A 28 2.559 -6.082 2.727 1.00 0.00 C ATOM 390 CD LYS A 28 2.543 -5.251 1.443 1.00 0.00 C ATOM 391 CE LYS A 28 2.890 -6.113 0.228 1.00 0.00 C ATOM 392 NZ LYS A 28 4.356 -6.273 0.108 1.00 0.00 N ATOM 0 H LYS A 28 5.740 -8.631 3.780 1.00 0.00 H new ATOM 0 HA LYS A 28 3.976 -6.458 4.813 1.00 0.00 H new ATOM 0 HB2 LYS A 28 4.642 -6.471 2.328 1.00 0.00 H new ATOM 0 HB3 LYS A 28 3.616 -7.886 2.197 1.00 0.00 H new ATOM 0 HG2 LYS A 28 1.657 -6.692 2.781 1.00 0.00 H new ATOM 0 HG3 LYS A 28 2.549 -5.420 3.593 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.558 -4.804 1.307 1.00 0.00 H new ATOM 0 HD3 LYS A 28 3.256 -4.431 1.527 1.00 0.00 H new ATOM 0 HE2 LYS A 28 2.418 -7.091 0.322 1.00 0.00 H new ATOM 0 HE3 LYS A 28 2.493 -5.653 -0.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 4.647 -6.081 -0.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 4.832 -5.605 0.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 4.621 -7.246 0.363 1.00 0.00 H new ATOM 402 N VAL A 29 3.779 -9.632 4.952 1.00 0.00 N ATOM 403 CA VAL A 29 3.027 -10.752 5.495 1.00 0.00 C ATOM 404 C VAL A 29 3.212 -10.797 7.013 1.00 0.00 C ATOM 405 O VAL A 29 3.575 -11.833 7.568 1.00 0.00 O ATOM 406 CB VAL A 29 3.451 -12.050 4.803 1.00 0.00 C ATOM 407 CG1 VAL A 29 4.752 -12.590 5.399 1.00 0.00 C ATOM 408 CG2 VAL A 29 2.337 -13.097 4.876 1.00 0.00 C ATOM 0 H VAL A 29 4.744 -9.847 4.703 1.00 0.00 H new ATOM 0 HA VAL A 29 1.962 -10.627 5.301 1.00 0.00 H new ATOM 0 HB VAL A 29 3.633 -11.826 3.752 1.00 0.00 H new ATOM 0 HG11 VAL A 29 5.030 -13.512 4.889 1.00 0.00 H new ATOM 0 HG12 VAL A 29 5.544 -11.852 5.272 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.610 -12.791 6.461 1.00 0.00 H new ATOM 0 HG21 VAL A 29 2.663 -14.010 4.377 1.00 0.00 H new ATOM 0 HG22 VAL A 29 2.110 -13.315 5.920 1.00 0.00 H new ATOM 0 HG23 VAL A 29 1.444 -12.713 4.383 1.00 0.00 H new ATOM 418 N THR A 30 2.954 -9.659 7.642 1.00 0.00 N ATOM 419 CA THR A 30 3.086 -9.555 9.085 1.00 0.00 C ATOM 420 C THR A 30 2.222 -10.610 9.778 1.00 0.00 C ATOM 421 O THR A 30 2.718 -11.388 10.591 1.00 0.00 O ATOM 422 CB THR A 30 2.737 -8.122 9.491 1.00 0.00 C ATOM 423 OG1 THR A 30 3.810 -7.343 8.968 1.00 0.00 O ATOM 424 CG2 THR A 30 2.821 -7.903 11.002 1.00 0.00 C ATOM 0 H THR A 30 2.654 -8.801 7.178 1.00 0.00 H new ATOM 0 HA THR A 30 4.109 -9.758 9.403 1.00 0.00 H new ATOM 0 HB THR A 30 1.731 -7.882 9.146 1.00 0.00 H new ATOM 0 HG1 THR A 30 3.664 -6.398 9.184 1.00 0.00 H new ATOM 0 HG21 THR A 30 2.564 -6.870 11.235 1.00 0.00 H new ATOM 0 HG22 THR A 30 2.124 -8.573 11.506 1.00 0.00 H new ATOM 0 HG23 THR A 30 3.835 -8.110 11.344 1.00 0.00 H new ATOM 432 N SER A 31 0.943 -10.602 9.431 1.00 0.00 N ATOM 433 CA SER A 31 0.005 -11.548 10.008 1.00 0.00 C ATOM 434 C SER A 31 -1.382 -11.350 9.395 1.00 0.00 C ATOM 435 O SER A 31 -2.395 -11.546 10.065 1.00 0.00 O ATOM 436 CB SER A 31 -0.062 -11.399 11.530 1.00 0.00 C ATOM 437 OG SER A 31 0.518 -12.515 12.200 1.00 0.00 O ATOM 0 H SER A 31 0.535 -9.954 8.757 1.00 0.00 H new ATOM 0 HA SER A 31 0.354 -12.556 9.783 1.00 0.00 H new ATOM 0 HB2 SER A 31 0.456 -10.487 11.828 1.00 0.00 H new ATOM 0 HB3 SER A 31 -1.102 -11.291 11.839 1.00 0.00 H new ATOM 0 HG SER A 31 1.456 -12.606 11.933 1.00 0.00 H new ATOM 442 N GLU A 32 -1.385 -10.965 8.127 1.00 0.00 N ATOM 443 CA GLU A 32 -2.631 -10.738 7.415 1.00 0.00 C ATOM 444 C GLU A 32 -3.412 -9.593 8.064 1.00 0.00 C ATOM 445 O GLU A 32 -3.460 -8.488 7.527 1.00 0.00 O ATOM 446 CB GLU A 32 -3.472 -12.015 7.364 1.00 0.00 C ATOM 447 CG GLU A 32 -2.789 -13.088 6.513 1.00 0.00 C ATOM 448 CD GLU A 32 -2.331 -14.264 7.378 1.00 0.00 C ATOM 449 OE1 GLU A 32 -1.269 -14.116 8.019 1.00 0.00 O ATOM 450 OE2 GLU A 32 -3.055 -15.283 7.378 1.00 0.00 O ATOM 0 H GLU A 32 -0.543 -10.804 7.574 1.00 0.00 H new ATOM 0 HA GLU A 32 -2.395 -10.455 6.389 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -3.628 -12.392 8.375 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -4.456 -11.791 6.952 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -3.478 -13.442 5.746 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -1.932 -12.656 5.996 1.00 0.00 H new ATOM 455 N GLU A 33 -4.004 -9.897 9.210 1.00 0.00 N ATOM 456 CA GLU A 33 -4.781 -8.907 9.937 1.00 0.00 C ATOM 457 C GLU A 33 -3.916 -7.686 10.258 1.00 0.00 C ATOM 458 O GLU A 33 -4.398 -6.556 10.234 1.00 0.00 O ATOM 459 CB GLU A 33 -5.377 -9.507 11.211 1.00 0.00 C ATOM 460 CG GLU A 33 -6.627 -8.737 11.645 1.00 0.00 C ATOM 461 CD GLU A 33 -7.842 -9.663 11.723 1.00 0.00 C ATOM 462 OE1 GLU A 33 -7.623 -10.868 11.973 1.00 0.00 O ATOM 463 OE2 GLU A 33 -8.963 -9.146 11.529 1.00 0.00 O ATOM 0 H GLU A 33 -3.961 -10.815 9.653 1.00 0.00 H new ATOM 0 HA GLU A 33 -5.609 -8.586 9.305 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -5.630 -10.553 11.041 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -4.636 -9.484 12.010 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -6.455 -8.275 12.617 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -6.825 -7.930 10.939 1.00 0.00 H new ATOM 468 N LYS A 34 -2.652 -7.957 10.551 1.00 0.00 N ATOM 469 CA LYS A 34 -1.716 -6.895 10.877 1.00 0.00 C ATOM 470 C LYS A 34 -0.971 -6.470 9.610 1.00 0.00 C ATOM 471 O LYS A 34 -0.487 -5.343 9.518 1.00 0.00 O ATOM 472 CB LYS A 34 -0.791 -7.327 12.017 1.00 0.00 C ATOM 473 CG LYS A 34 -1.554 -7.404 13.342 1.00 0.00 C ATOM 474 CD LYS A 34 -0.590 -7.544 14.522 1.00 0.00 C ATOM 475 CE LYS A 34 -1.207 -6.978 15.803 1.00 0.00 C ATOM 476 NZ LYS A 34 -2.057 -7.995 16.462 1.00 0.00 N ATOM 0 H LYS A 34 -2.255 -8.896 10.569 1.00 0.00 H new ATOM 0 HA LYS A 34 -2.249 -6.018 11.244 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -0.354 -8.299 11.788 1.00 0.00 H new ATOM 0 HB3 LYS A 34 0.034 -6.620 12.109 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -2.162 -6.508 13.468 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -2.238 -8.253 13.323 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -0.339 -8.594 14.668 1.00 0.00 H new ATOM 0 HD3 LYS A 34 0.340 -7.021 14.300 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -0.418 -6.659 16.484 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -1.802 -6.095 15.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -2.468 -7.595 17.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -2.821 -8.280 15.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -1.480 -8.826 16.704 1.00 0.00 H new ATOM 486 N GLU A 35 -0.904 -7.395 8.663 1.00 0.00 N ATOM 487 CA GLU A 35 -0.227 -7.130 7.405 1.00 0.00 C ATOM 488 C GLU A 35 -0.896 -5.963 6.677 1.00 0.00 C ATOM 489 O GLU A 35 -0.264 -5.288 5.867 1.00 0.00 O ATOM 490 CB GLU A 35 -0.199 -8.381 6.524 1.00 0.00 C ATOM 491 CG GLU A 35 -0.451 -8.025 5.058 1.00 0.00 C ATOM 492 CD GLU A 35 -0.110 -9.202 4.141 1.00 0.00 C ATOM 493 OE1 GLU A 35 -0.232 -10.349 4.621 1.00 0.00 O ATOM 494 OE2 GLU A 35 0.266 -8.927 2.981 1.00 0.00 O ATOM 0 H GLU A 35 -1.307 -8.328 8.742 1.00 0.00 H new ATOM 0 HA GLU A 35 0.805 -6.854 7.622 1.00 0.00 H new ATOM 0 HB2 GLU A 35 0.767 -8.877 6.621 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.955 -9.088 6.866 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -1.496 -7.745 4.923 1.00 0.00 H new ATOM 0 HG3 GLU A 35 0.150 -7.158 4.782 1.00 0.00 H new ATOM 499 N GLN A 36 -2.167 -5.761 6.993 1.00 0.00 N ATOM 500 CA GLN A 36 -2.929 -4.686 6.379 1.00 0.00 C ATOM 501 C GLN A 36 -3.316 -3.643 7.430 1.00 0.00 C ATOM 502 O GLN A 36 -3.380 -2.451 7.132 1.00 0.00 O ATOM 503 CB GLN A 36 -4.168 -5.231 5.665 1.00 0.00 C ATOM 504 CG GLN A 36 -5.112 -5.919 6.653 1.00 0.00 C ATOM 505 CD GLN A 36 -6.539 -5.966 6.105 1.00 0.00 C ATOM 506 OE1 GLN A 36 -6.795 -5.692 4.944 1.00 0.00 O ATOM 507 NE2 GLN A 36 -7.452 -6.327 7.002 1.00 0.00 N ATOM 0 H GLN A 36 -2.688 -6.323 7.666 1.00 0.00 H new ATOM 0 HA GLN A 36 -2.301 -4.203 5.630 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -4.691 -4.416 5.164 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -3.865 -5.938 4.893 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -4.761 -6.932 6.852 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -5.101 -5.386 7.604 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -7.170 -6.543 7.958 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -8.434 -6.388 6.734 1.00 0.00 H new ATOM 514 N LEU A 37 -3.563 -4.130 8.637 1.00 0.00 N ATOM 515 CA LEU A 37 -3.942 -3.254 9.733 1.00 0.00 C ATOM 516 C LEU A 37 -2.731 -2.421 10.157 1.00 0.00 C ATOM 517 O LEU A 37 -2.683 -1.217 9.907 1.00 0.00 O ATOM 518 CB LEU A 37 -4.562 -4.062 10.875 1.00 0.00 C ATOM 519 CG LEU A 37 -5.000 -3.261 12.103 1.00 0.00 C ATOM 520 CD1 LEU A 37 -6.155 -2.317 11.758 1.00 0.00 C ATOM 521 CD2 LEU A 37 -5.348 -4.190 13.268 1.00 0.00 C ATOM 0 H LEU A 37 -3.508 -5.119 8.880 1.00 0.00 H new ATOM 0 HA LEU A 37 -4.714 -2.555 9.412 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.429 -4.597 10.486 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -3.841 -4.814 11.195 1.00 0.00 H new ATOM 0 HG LEU A 37 -4.162 -2.642 12.424 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -6.447 -1.759 12.648 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -5.837 -1.621 10.982 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -7.004 -2.898 11.398 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -5.656 -3.595 14.128 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -6.162 -4.852 12.974 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.474 -4.785 13.533 1.00 0.00 H new ATOM 532 N SER A 38 -1.781 -3.094 10.790 1.00 0.00 N ATOM 533 CA SER A 38 -0.573 -2.430 11.251 1.00 0.00 C ATOM 534 C SER A 38 0.176 -1.825 10.063 1.00 0.00 C ATOM 535 O SER A 38 1.028 -0.955 10.239 1.00 0.00 O ATOM 536 CB SER A 38 0.331 -3.401 12.011 1.00 0.00 C ATOM 537 OG SER A 38 -0.023 -3.494 13.389 1.00 0.00 O ATOM 0 H SER A 38 -1.823 -4.092 10.995 1.00 0.00 H new ATOM 0 HA SER A 38 -0.860 -1.632 11.936 1.00 0.00 H new ATOM 0 HB2 SER A 38 0.268 -4.388 11.553 1.00 0.00 H new ATOM 0 HB3 SER A 38 1.367 -3.075 11.924 1.00 0.00 H new ATOM 0 HG SER A 38 0.577 -4.125 13.839 1.00 0.00 H new ATOM 542 N THR A 39 -0.167 -2.310 8.878 1.00 0.00 N ATOM 543 CA THR A 39 0.464 -1.828 7.660 1.00 0.00 C ATOM 544 C THR A 39 -0.320 -0.645 7.087 1.00 0.00 C ATOM 545 O THR A 39 0.180 0.076 6.225 1.00 0.00 O ATOM 546 CB THR A 39 0.582 -3.005 6.691 1.00 0.00 C ATOM 547 OG1 THR A 39 0.956 -4.102 7.522 1.00 0.00 O ATOM 548 CG2 THR A 39 1.758 -2.852 5.725 1.00 0.00 C ATOM 0 H THR A 39 -0.874 -3.032 8.735 1.00 0.00 H new ATOM 0 HA THR A 39 1.467 -1.449 7.857 1.00 0.00 H new ATOM 0 HB THR A 39 -0.344 -3.103 6.124 1.00 0.00 H new ATOM 0 HG1 THR A 39 1.137 -4.888 6.965 1.00 0.00 H new ATOM 0 HG21 THR A 39 1.796 -3.714 5.059 1.00 0.00 H new ATOM 0 HG22 THR A 39 1.629 -1.944 5.136 1.00 0.00 H new ATOM 0 HG23 THR A 39 2.688 -2.789 6.291 1.00 0.00 H new ATOM 556 N ALA A 40 -1.535 -0.482 7.589 1.00 0.00 N ATOM 557 CA ALA A 40 -2.392 0.600 7.137 1.00 0.00 C ATOM 558 C ALA A 40 -2.802 1.456 8.337 1.00 0.00 C ATOM 559 O ALA A 40 -3.581 2.398 8.196 1.00 0.00 O ATOM 560 CB ALA A 40 -3.598 0.022 6.394 1.00 0.00 C ATOM 0 H ALA A 40 -1.946 -1.081 8.305 1.00 0.00 H new ATOM 0 HA ALA A 40 -1.858 1.245 6.439 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -4.240 0.835 6.055 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.254 -0.552 5.533 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -4.160 -0.630 7.063 1.00 0.00 H new ATOM 566 N ILE A 41 -2.260 1.097 9.492 1.00 0.00 N ATOM 567 CA ILE A 41 -2.560 1.819 10.717 1.00 0.00 C ATOM 568 C ILE A 41 -1.259 2.344 11.325 1.00 0.00 C ATOM 569 O ILE A 41 -1.190 3.493 11.757 1.00 0.00 O ATOM 570 CB ILE A 41 -3.374 0.943 11.670 1.00 0.00 C ATOM 571 CG1 ILE A 41 -4.872 1.056 11.374 1.00 0.00 C ATOM 572 CG2 ILE A 41 -3.052 1.272 13.128 1.00 0.00 C ATOM 573 CD1 ILE A 41 -5.172 0.703 9.916 1.00 0.00 C ATOM 0 H ILE A 41 -1.615 0.315 9.605 1.00 0.00 H new ATOM 0 HA ILE A 41 -3.186 2.686 10.505 1.00 0.00 H new ATOM 0 HB ILE A 41 -3.090 -0.096 11.505 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.428 0.391 12.035 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -5.212 2.070 11.584 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -3.645 0.635 13.784 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -1.992 1.099 13.314 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -3.289 2.317 13.326 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -6.243 0.791 9.733 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -4.634 1.386 9.258 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -4.853 -0.320 9.716 1.00 0.00 H new ATOM 584 N ASP A 42 -0.257 1.477 11.340 1.00 0.00 N ATOM 585 CA ASP A 42 1.039 1.839 11.888 1.00 0.00 C ATOM 586 C ASP A 42 1.165 3.364 11.923 1.00 0.00 C ATOM 587 O ASP A 42 1.139 3.967 12.994 1.00 0.00 O ATOM 588 CB ASP A 42 2.176 1.290 11.024 1.00 0.00 C ATOM 589 CG ASP A 42 3.491 2.067 11.115 1.00 0.00 C ATOM 590 OD1 ASP A 42 3.848 2.448 12.251 1.00 0.00 O ATOM 591 OD2 ASP A 42 4.109 2.262 10.046 1.00 0.00 O ATOM 0 H ASP A 42 -0.317 0.524 10.981 1.00 0.00 H new ATOM 0 HA ASP A 42 1.111 1.416 12.890 1.00 0.00 H new ATOM 0 HB2 ASP A 42 2.363 0.255 11.310 1.00 0.00 H new ATOM 0 HB3 ASP A 42 1.849 1.279 9.984 1.00 0.00 H new ATOM 595 N ARG A 43 1.302 3.940 10.739 1.00 0.00 N ATOM 596 CA ARG A 43 1.432 5.383 10.619 1.00 0.00 C ATOM 597 C ARG A 43 0.546 5.905 9.486 1.00 0.00 C ATOM 598 O ARG A 43 0.430 7.114 9.291 1.00 0.00 O ATOM 599 CB ARG A 43 2.884 5.783 10.347 1.00 0.00 C ATOM 600 CG ARG A 43 3.648 5.999 11.655 1.00 0.00 C ATOM 601 CD ARG A 43 5.123 5.628 11.496 1.00 0.00 C ATOM 602 NE ARG A 43 5.931 6.310 12.532 1.00 0.00 N ATOM 603 CZ ARG A 43 5.907 5.993 13.833 1.00 0.00 C ATOM 604 NH1 ARG A 43 5.115 5.003 14.267 1.00 0.00 N ATOM 605 NH2 ARG A 43 6.674 6.666 14.702 1.00 0.00 N ATOM 0 H ARG A 43 1.326 3.434 9.853 1.00 0.00 H new ATOM 0 HA ARG A 43 1.115 5.824 11.564 1.00 0.00 H new ATOM 0 HB2 ARG A 43 3.375 5.007 9.759 1.00 0.00 H new ATOM 0 HB3 ARG A 43 2.908 6.696 9.753 1.00 0.00 H new ATOM 0 HG2 ARG A 43 3.563 7.041 11.962 1.00 0.00 H new ATOM 0 HG3 ARG A 43 3.201 5.396 12.445 1.00 0.00 H new ATOM 0 HD2 ARG A 43 5.246 4.548 11.580 1.00 0.00 H new ATOM 0 HD3 ARG A 43 5.473 5.913 10.504 1.00 0.00 H new ATOM 0 HE ARG A 43 6.545 7.069 12.236 1.00 0.00 H new ATOM 0 HH11 ARG A 43 4.530 4.491 13.606 1.00 0.00 H new ATOM 0 HH12 ARG A 43 5.097 4.762 15.258 1.00 0.00 H new ATOM 0 HH21 ARG A 43 7.277 7.420 14.373 1.00 0.00 H new ATOM 0 HH22 ARG A 43 6.655 6.424 15.693 1.00 0.00 H new ATOM 616 N MET A 44 -0.058 4.967 8.771 1.00 0.00 N ATOM 617 CA MET A 44 -0.931 5.318 7.664 1.00 0.00 C ATOM 618 C MET A 44 -2.289 5.805 8.169 1.00 0.00 C ATOM 619 O MET A 44 -3.028 6.463 7.438 1.00 0.00 O ATOM 620 CB MET A 44 -1.128 4.096 6.764 1.00 0.00 C ATOM 621 CG MET A 44 0.190 3.677 6.111 1.00 0.00 C ATOM 622 SD MET A 44 1.066 2.544 7.177 1.00 0.00 S ATOM 623 CE MET A 44 2.428 3.583 7.679 1.00 0.00 C ATOM 0 H MET A 44 0.040 3.965 8.937 1.00 0.00 H new ATOM 0 HA MET A 44 -0.465 6.126 7.100 1.00 0.00 H new ATOM 0 HB2 MET A 44 -1.526 3.268 7.351 1.00 0.00 H new ATOM 0 HB3 MET A 44 -1.864 4.323 5.993 1.00 0.00 H new ATOM 0 HG2 MET A 44 -0.005 3.206 5.148 1.00 0.00 H new ATOM 0 HG3 MET A 44 0.805 4.556 5.917 1.00 0.00 H new ATOM 0 HE1 MET A 44 2.824 3.229 8.631 1.00 0.00 H new ATOM 0 HE2 MET A 44 3.212 3.546 6.923 1.00 0.00 H new ATOM 0 HE3 MET A 44 2.080 4.610 7.790 1.00 0.00 H new ATOM 631 N ASN A 45 -2.579 5.463 9.417 1.00 0.00 N ATOM 632 CA ASN A 45 -3.836 5.857 10.028 1.00 0.00 C ATOM 633 C ASN A 45 -4.047 7.360 9.828 1.00 0.00 C ATOM 634 O ASN A 45 -4.634 7.781 8.834 1.00 0.00 O ATOM 635 CB ASN A 45 -3.828 5.577 11.532 1.00 0.00 C ATOM 636 CG ASN A 45 -4.962 6.325 12.235 1.00 0.00 C ATOM 637 OD1 ASN A 45 -6.134 6.136 11.954 1.00 0.00 O ATOM 638 ND2 ASN A 45 -4.550 7.185 13.163 1.00 0.00 N ATOM 0 H ASN A 45 -1.964 4.917 10.021 1.00 0.00 H new ATOM 0 HA ASN A 45 -4.634 5.283 9.558 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -3.931 4.506 11.707 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -2.870 5.879 11.957 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -5.231 7.734 13.688 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -3.553 7.295 13.349 1.00 0.00 H new ATOM 644 N GLU A 46 -3.555 8.127 10.791 1.00 0.00 N ATOM 645 CA GLU A 46 -3.682 9.573 10.732 1.00 0.00 C ATOM 646 C GLU A 46 -2.506 10.178 9.963 1.00 0.00 C ATOM 647 O GLU A 46 -2.561 11.336 9.550 1.00 0.00 O ATOM 648 CB GLU A 46 -3.784 10.172 12.137 1.00 0.00 C ATOM 649 CG GLU A 46 -4.953 11.154 12.231 1.00 0.00 C ATOM 650 CD GLU A 46 -4.451 12.597 12.318 1.00 0.00 C ATOM 651 OE1 GLU A 46 -3.661 12.978 11.427 1.00 0.00 O ATOM 652 OE2 GLU A 46 -4.868 13.287 13.273 1.00 0.00 O ATOM 0 H GLU A 46 -3.068 7.774 11.615 1.00 0.00 H new ATOM 0 HA GLU A 46 -4.602 9.816 10.201 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -3.915 9.374 12.868 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -2.854 10.683 12.387 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -5.598 11.041 11.360 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -5.558 10.922 13.108 1.00 0.00 H new ATOM 657 N GLY A 47 -1.472 9.369 9.793 1.00 0.00 N ATOM 658 CA GLY A 47 -0.285 9.810 9.080 1.00 0.00 C ATOM 659 C GLY A 47 -0.560 9.930 7.579 1.00 0.00 C ATOM 660 O GLY A 47 -0.102 10.870 6.934 1.00 0.00 O ATOM 0 H GLY A 47 -1.431 8.410 10.137 1.00 0.00 H new ATOM 0 HA2 GLY A 47 0.042 10.773 9.472 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.528 9.104 9.249 1.00 0.00 H new ATOM 664 N LEU A 48 -1.304 8.960 7.069 1.00 0.00 N ATOM 665 CA LEU A 48 -1.645 8.944 5.656 1.00 0.00 C ATOM 666 C LEU A 48 -2.820 9.892 5.408 1.00 0.00 C ATOM 667 O LEU A 48 -2.729 10.795 4.578 1.00 0.00 O ATOM 668 CB LEU A 48 -1.900 7.512 5.183 1.00 0.00 C ATOM 669 CG LEU A 48 -1.120 7.065 3.945 1.00 0.00 C ATOM 670 CD1 LEU A 48 0.049 6.157 4.331 1.00 0.00 C ATOM 671 CD2 LEU A 48 -2.046 6.403 2.922 1.00 0.00 C ATOM 0 H LEU A 48 -1.680 8.180 7.608 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.809 9.309 5.058 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.663 6.833 6.002 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.965 7.403 4.976 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.697 7.951 3.471 1.00 0.00 H new ATOM 0 HD11 LEU A 48 0.586 5.854 3.432 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.726 6.697 4.994 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.331 5.272 4.842 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -1.466 6.095 2.052 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.519 5.529 3.371 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -2.814 7.113 2.613 1.00 0.00 H new ATOM 682 N ASP A 49 -3.895 9.655 6.145 1.00 0.00 N ATOM 683 CA ASP A 49 -5.086 10.477 6.015 1.00 0.00 C ATOM 684 C ASP A 49 -4.689 11.953 6.056 1.00 0.00 C ATOM 685 O ASP A 49 -5.265 12.776 5.345 1.00 0.00 O ATOM 686 CB ASP A 49 -6.062 10.218 7.165 1.00 0.00 C ATOM 687 CG ASP A 49 -7.338 11.061 7.133 1.00 0.00 C ATOM 688 OD1 ASP A 49 -7.582 11.683 6.076 1.00 0.00 O ATOM 689 OD2 ASP A 49 -8.041 11.066 8.167 1.00 0.00 O ATOM 0 H ASP A 49 -3.966 8.906 6.834 1.00 0.00 H new ATOM 0 HA ASP A 49 -5.567 10.226 5.070 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -6.340 9.164 7.155 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -5.546 10.402 8.108 1.00 0.00 H new ATOM 693 N ALA A 50 -3.707 12.246 6.896 1.00 0.00 N ATOM 694 CA ALA A 50 -3.226 13.609 7.039 1.00 0.00 C ATOM 695 C ALA A 50 -2.334 13.960 5.847 1.00 0.00 C ATOM 696 O ALA A 50 -2.743 14.708 4.960 1.00 0.00 O ATOM 697 CB ALA A 50 -2.495 13.756 8.376 1.00 0.00 C ATOM 0 H ALA A 50 -3.231 11.562 7.485 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.061 14.310 7.044 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.134 14.779 8.483 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -3.180 13.526 9.192 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.650 13.068 8.406 1.00 0.00 H new ATOM 703 N PHE A 51 -1.132 13.402 5.863 1.00 0.00 N ATOM 704 CA PHE A 51 -0.180 13.645 4.793 1.00 0.00 C ATOM 705 C PHE A 51 -0.850 13.521 3.424 1.00 0.00 C ATOM 706 O PHE A 51 -0.798 14.448 2.617 1.00 0.00 O ATOM 707 CB PHE A 51 0.909 12.578 4.914 1.00 0.00 C ATOM 708 CG PHE A 51 2.042 12.950 5.873 1.00 0.00 C ATOM 709 CD1 PHE A 51 1.776 13.165 7.189 1.00 0.00 C ATOM 710 CD2 PHE A 51 3.316 13.067 5.409 1.00 0.00 C ATOM 711 CE1 PHE A 51 2.827 13.511 8.079 1.00 0.00 C ATOM 712 CE2 PHE A 51 4.367 13.412 6.299 1.00 0.00 C ATOM 713 CZ PHE A 51 4.100 13.626 7.616 1.00 0.00 C ATOM 0 H PHE A 51 -0.796 12.782 6.600 1.00 0.00 H new ATOM 0 HA PHE A 51 0.226 14.653 4.878 1.00 0.00 H new ATOM 0 HB2 PHE A 51 0.454 11.646 5.250 1.00 0.00 H new ATOM 0 HB3 PHE A 51 1.330 12.390 3.926 1.00 0.00 H new ATOM 0 HD1 PHE A 51 0.765 13.073 7.558 1.00 0.00 H new ATOM 0 HD2 PHE A 51 3.528 12.897 4.364 1.00 0.00 H new ATOM 0 HE1 PHE A 51 2.615 13.683 9.124 1.00 0.00 H new ATOM 0 HE2 PHE A 51 5.378 13.505 5.931 1.00 0.00 H new ATOM 0 HZ PHE A 51 4.899 13.887 8.294 1.00 0.00 H new ATOM 722 N ILE A 52 -1.464 12.367 3.203 1.00 0.00 N ATOM 723 CA ILE A 52 -2.144 12.111 1.945 1.00 0.00 C ATOM 724 C ILE A 52 -3.128 13.246 1.661 1.00 0.00 C ATOM 725 O ILE A 52 -3.215 13.729 0.533 1.00 0.00 O ATOM 726 CB ILE A 52 -2.791 10.724 1.959 1.00 0.00 C ATOM 727 CG1 ILE A 52 -1.758 9.640 2.275 1.00 0.00 C ATOM 728 CG2 ILE A 52 -3.527 10.449 0.647 1.00 0.00 C ATOM 729 CD1 ILE A 52 -0.549 9.746 1.342 1.00 0.00 C ATOM 0 H ILE A 52 -1.504 11.600 3.874 1.00 0.00 H new ATOM 0 HA ILE A 52 -1.430 12.096 1.122 1.00 0.00 H new ATOM 0 HB ILE A 52 -3.535 10.702 2.756 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -1.432 9.734 3.311 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.215 8.656 2.173 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -3.977 9.457 0.683 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -4.307 11.197 0.504 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.822 10.497 -0.183 1.00 0.00 H new ATOM 0 HD11 ILE A 52 0.170 8.964 1.588 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -0.875 9.627 0.309 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -0.080 10.722 1.464 1.00 0.00 H new ATOM 740 N GLN A 53 -3.846 13.639 2.702 1.00 0.00 N ATOM 741 CA GLN A 53 -4.822 14.709 2.580 1.00 0.00 C ATOM 742 C GLN A 53 -4.125 16.024 2.223 1.00 0.00 C ATOM 743 O GLN A 53 -4.781 17.002 1.872 1.00 0.00 O ATOM 744 CB GLN A 53 -5.643 14.853 3.861 1.00 0.00 C ATOM 745 CG GLN A 53 -6.428 16.166 3.866 1.00 0.00 C ATOM 746 CD GLN A 53 -7.695 16.044 4.716 1.00 0.00 C ATOM 747 OE1 GLN A 53 -7.982 15.016 5.304 1.00 0.00 O ATOM 748 NE2 GLN A 53 -8.433 17.150 4.746 1.00 0.00 N ATOM 0 H GLN A 53 -3.772 13.235 3.636 1.00 0.00 H new ATOM 0 HA GLN A 53 -5.511 14.455 1.775 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -6.332 14.013 3.952 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -4.982 14.818 4.727 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -5.800 16.968 4.255 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -6.696 16.438 2.845 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -8.134 17.977 4.230 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -9.298 17.171 5.285 1.00 0.00 H new ATOM 755 N LEU A 54 -2.805 16.004 2.328 1.00 0.00 N ATOM 756 CA LEU A 54 -2.011 17.182 2.022 1.00 0.00 C ATOM 757 C LEU A 54 -1.079 16.875 0.849 1.00 0.00 C ATOM 758 O LEU A 54 -0.490 17.783 0.265 1.00 0.00 O ATOM 759 CB LEU A 54 -1.283 17.678 3.273 1.00 0.00 C ATOM 760 CG LEU A 54 -2.135 18.449 4.283 1.00 0.00 C ATOM 761 CD1 LEU A 54 -2.042 17.817 5.674 1.00 0.00 C ATOM 762 CD2 LEU A 54 -1.754 19.932 4.302 1.00 0.00 C ATOM 0 H LEU A 54 -2.265 15.190 2.621 1.00 0.00 H new ATOM 0 HA LEU A 54 -2.655 18.004 1.710 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -0.844 16.818 3.779 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -0.458 18.318 2.960 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.177 18.387 3.969 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -2.657 18.384 6.373 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -2.398 16.788 5.630 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.005 17.829 6.010 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -2.374 20.458 5.028 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.705 20.035 4.579 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -1.911 20.361 3.312 1.00 0.00 H new ATOM 773 N TYR A 55 -0.975 15.591 0.539 1.00 0.00 N ATOM 774 CA TYR A 55 -0.124 15.152 -0.554 1.00 0.00 C ATOM 775 C TYR A 55 -0.945 14.903 -1.822 1.00 0.00 C ATOM 776 O TYR A 55 -0.888 15.689 -2.766 1.00 0.00 O ATOM 777 CB TYR A 55 0.501 13.831 -0.098 1.00 0.00 C ATOM 778 CG TYR A 55 2.010 13.905 0.133 1.00 0.00 C ATOM 779 CD1 TYR A 55 2.502 14.302 1.360 1.00 0.00 C ATOM 780 CD2 TYR A 55 2.882 13.574 -0.885 1.00 0.00 C ATOM 781 CE1 TYR A 55 3.925 14.371 1.577 1.00 0.00 C ATOM 782 CE2 TYR A 55 4.304 13.642 -0.668 1.00 0.00 C ATOM 783 CZ TYR A 55 4.755 14.038 0.553 1.00 0.00 C ATOM 784 OH TYR A 55 6.098 14.102 0.758 1.00 0.00 O ATOM 0 H TYR A 55 -1.466 14.841 1.025 1.00 0.00 H new ATOM 0 HA TYR A 55 0.624 15.910 -0.786 1.00 0.00 H new ATOM 0 HB2 TYR A 55 0.018 13.512 0.825 1.00 0.00 H new ATOM 0 HB3 TYR A 55 0.295 13.066 -0.847 1.00 0.00 H new ATOM 0 HD1 TYR A 55 1.821 14.561 2.157 1.00 0.00 H new ATOM 0 HD2 TYR A 55 2.497 13.264 -1.845 1.00 0.00 H new ATOM 0 HE1 TYR A 55 4.323 14.680 2.532 1.00 0.00 H new ATOM 0 HE2 TYR A 55 4.996 13.385 -1.456 1.00 0.00 H new ATOM 0 HH TYR A 55 6.567 13.835 -0.060 1.00 0.00 H new ATOM 793 N ASN A 56 -1.688 13.806 -1.801 1.00 0.00 N ATOM 794 CA ASN A 56 -2.519 13.445 -2.938 1.00 0.00 C ATOM 795 C ASN A 56 -2.940 11.980 -2.809 1.00 0.00 C ATOM 796 O ASN A 56 -3.996 11.587 -3.304 1.00 0.00 O ATOM 797 CB ASN A 56 -1.753 13.603 -4.252 1.00 0.00 C ATOM 798 CG ASN A 56 -2.344 14.734 -5.097 1.00 0.00 C ATOM 799 OD1 ASN A 56 -1.864 15.856 -5.102 1.00 0.00 O ATOM 800 ND2 ASN A 56 -3.408 14.378 -5.811 1.00 0.00 N ATOM 0 H ASN A 56 -1.732 13.156 -1.016 1.00 0.00 H new ATOM 0 HA ASN A 56 -3.387 14.105 -2.946 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -0.704 13.810 -4.043 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -1.788 12.669 -4.812 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -3.873 15.061 -6.409 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -3.759 13.422 -5.761 1.00 0.00 H new ATOM 806 N GLU A 57 -2.093 11.210 -2.142 1.00 0.00 N ATOM 807 CA GLU A 57 -2.364 9.795 -1.943 1.00 0.00 C ATOM 808 C GLU A 57 -1.648 8.963 -3.009 1.00 0.00 C ATOM 809 O GLU A 57 -1.643 7.734 -2.942 1.00 0.00 O ATOM 810 CB GLU A 57 -3.868 9.520 -1.951 1.00 0.00 C ATOM 811 CG GLU A 57 -4.350 9.146 -3.355 1.00 0.00 C ATOM 812 CD GLU A 57 -5.779 9.640 -3.594 1.00 0.00 C ATOM 813 OE1 GLU A 57 -6.185 10.573 -2.868 1.00 0.00 O ATOM 814 OE2 GLU A 57 -6.430 9.075 -4.498 1.00 0.00 O ATOM 0 H GLU A 57 -1.219 11.538 -1.732 1.00 0.00 H new ATOM 0 HA GLU A 57 -1.980 9.504 -0.965 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -4.097 8.712 -1.257 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -4.404 10.402 -1.601 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -3.682 9.579 -4.100 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -4.310 8.064 -3.481 1.00 0.00 H new ATOM 819 N SER A 58 -1.060 9.664 -3.966 1.00 0.00 N ATOM 820 CA SER A 58 -0.342 9.005 -5.044 1.00 0.00 C ATOM 821 C SER A 58 1.086 9.544 -5.128 1.00 0.00 C ATOM 822 O SER A 58 1.944 8.943 -5.774 1.00 0.00 O ATOM 823 CB SER A 58 -1.061 9.195 -6.381 1.00 0.00 C ATOM 824 OG SER A 58 -2.238 8.397 -6.474 1.00 0.00 O ATOM 0 H SER A 58 -1.066 10.683 -4.018 1.00 0.00 H new ATOM 0 HA SER A 58 -0.308 7.937 -4.829 1.00 0.00 H new ATOM 0 HB2 SER A 58 -1.325 10.245 -6.504 1.00 0.00 H new ATOM 0 HB3 SER A 58 -0.384 8.939 -7.196 1.00 0.00 H new ATOM 0 HG SER A 58 -2.668 8.549 -7.341 1.00 0.00 H new ATOM 829 N GLU A 59 1.300 10.672 -4.467 1.00 0.00 N ATOM 830 CA GLU A 59 2.610 11.299 -4.458 1.00 0.00 C ATOM 831 C GLU A 59 2.699 12.359 -5.559 1.00 0.00 C ATOM 832 O GLU A 59 3.303 12.124 -6.604 1.00 0.00 O ATOM 833 CB GLU A 59 3.719 10.256 -4.612 1.00 0.00 C ATOM 834 CG GLU A 59 5.026 10.749 -3.990 1.00 0.00 C ATOM 835 CD GLU A 59 5.261 10.102 -2.623 1.00 0.00 C ATOM 836 OE1 GLU A 59 5.062 8.871 -2.536 1.00 0.00 O ATOM 837 OE2 GLU A 59 5.635 10.853 -1.697 1.00 0.00 O ATOM 0 H GLU A 59 0.587 11.168 -3.933 1.00 0.00 H new ATOM 0 HA GLU A 59 2.749 11.790 -3.495 1.00 0.00 H new ATOM 0 HB2 GLU A 59 3.415 9.324 -4.136 1.00 0.00 H new ATOM 0 HB3 GLU A 59 3.874 10.039 -5.669 1.00 0.00 H new ATOM 0 HG2 GLU A 59 5.859 10.518 -4.654 1.00 0.00 H new ATOM 0 HG3 GLU A 59 4.996 11.833 -3.883 1.00 0.00 H new ATOM 842 N ILE A 60 2.087 13.502 -5.286 1.00 0.00 N ATOM 843 CA ILE A 60 2.089 14.598 -6.239 1.00 0.00 C ATOM 844 C ILE A 60 2.365 15.909 -5.502 1.00 0.00 C ATOM 845 O ILE A 60 2.137 16.990 -6.044 1.00 0.00 O ATOM 846 CB ILE A 60 0.789 14.608 -7.047 1.00 0.00 C ATOM 847 CG1 ILE A 60 0.823 13.551 -8.153 1.00 0.00 C ATOM 848 CG2 ILE A 60 0.497 16.005 -7.598 1.00 0.00 C ATOM 849 CD1 ILE A 60 2.113 13.653 -8.970 1.00 0.00 C ATOM 0 H ILE A 60 1.586 13.693 -4.418 1.00 0.00 H new ATOM 0 HA ILE A 60 2.889 14.468 -6.968 1.00 0.00 H new ATOM 0 HB ILE A 60 -0.031 14.348 -6.378 1.00 0.00 H new ATOM 0 HG12 ILE A 60 0.745 12.557 -7.713 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -0.038 13.678 -8.809 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -0.432 15.984 -8.168 1.00 0.00 H new ATOM 0 HG22 ILE A 60 0.400 16.709 -6.772 1.00 0.00 H new ATOM 0 HG23 ILE A 60 1.314 16.318 -8.248 1.00 0.00 H new ATOM 0 HD11 ILE A 60 2.112 12.891 -9.749 1.00 0.00 H new ATOM 0 HD12 ILE A 60 2.176 14.640 -9.428 1.00 0.00 H new ATOM 0 HD13 ILE A 60 2.971 13.501 -8.315 1.00 0.00 H new ATOM 860 N ASP A 61 2.852 15.772 -4.277 1.00 0.00 N ATOM 861 CA ASP A 61 3.161 16.933 -3.460 1.00 0.00 C ATOM 862 C ASP A 61 4.675 17.154 -3.447 1.00 0.00 C ATOM 863 O ASP A 61 5.140 18.292 -3.441 1.00 0.00 O ATOM 864 CB ASP A 61 2.701 16.727 -2.016 1.00 0.00 C ATOM 865 CG ASP A 61 1.828 17.849 -1.449 1.00 0.00 C ATOM 866 OD1 ASP A 61 1.158 18.515 -2.269 1.00 0.00 O ATOM 867 OD2 ASP A 61 1.850 18.016 -0.211 1.00 0.00 O ATOM 0 H ASP A 61 3.040 14.874 -3.831 1.00 0.00 H new ATOM 0 HA ASP A 61 2.643 17.793 -3.885 1.00 0.00 H new ATOM 0 HB2 ASP A 61 2.146 15.791 -1.957 1.00 0.00 H new ATOM 0 HB3 ASP A 61 3.581 16.616 -1.382 1.00 0.00 H new ATOM 871 N GLU A 62 5.402 16.046 -3.444 1.00 0.00 N ATOM 872 CA GLU A 62 6.854 16.104 -3.431 1.00 0.00 C ATOM 873 C GLU A 62 7.398 16.092 -4.862 1.00 0.00 C ATOM 874 O GLU A 62 8.114 17.007 -5.265 1.00 0.00 O ATOM 875 CB GLU A 62 7.441 14.953 -2.612 1.00 0.00 C ATOM 876 CG GLU A 62 8.849 14.599 -3.097 1.00 0.00 C ATOM 877 CD GLU A 62 8.821 13.371 -4.011 1.00 0.00 C ATOM 878 OE1 GLU A 62 8.418 12.300 -3.510 1.00 0.00 O ATOM 879 OE2 GLU A 62 9.204 13.533 -5.190 1.00 0.00 O ATOM 0 H GLU A 62 5.013 15.103 -3.450 1.00 0.00 H new ATOM 0 HA GLU A 62 7.157 17.037 -2.955 1.00 0.00 H new ATOM 0 HB2 GLU A 62 7.474 15.231 -1.559 1.00 0.00 H new ATOM 0 HB3 GLU A 62 6.795 14.079 -2.691 1.00 0.00 H new ATOM 0 HG2 GLU A 62 9.277 15.446 -3.633 1.00 0.00 H new ATOM 0 HG3 GLU A 62 9.495 14.405 -2.241 1.00 0.00 H new ATOM 884 N PRO A 63 7.027 15.017 -5.609 1.00 0.00 N ATOM 885 CA PRO A 63 7.469 14.874 -6.985 1.00 0.00 C ATOM 886 C PRO A 63 6.704 15.824 -7.909 1.00 0.00 C ATOM 887 O PRO A 63 7.239 16.847 -8.335 1.00 0.00 O ATOM 888 CB PRO A 63 7.244 13.409 -7.321 1.00 0.00 C ATOM 889 CG PRO A 63 6.259 12.892 -6.286 1.00 0.00 C ATOM 890 CD PRO A 63 6.181 13.915 -5.164 1.00 0.00 C ATOM 0 HA PRO A 63 8.517 15.143 -7.120 1.00 0.00 H new ATOM 0 HB2 PRO A 63 6.846 13.296 -8.330 1.00 0.00 H new ATOM 0 HB3 PRO A 63 8.180 12.851 -7.283 1.00 0.00 H new ATOM 0 HG2 PRO A 63 5.277 12.742 -6.735 1.00 0.00 H new ATOM 0 HG3 PRO A 63 6.583 11.926 -5.900 1.00 0.00 H new ATOM 0 HD2 PRO A 63 5.155 14.245 -4.999 1.00 0.00 H new ATOM 0 HD3 PRO A 63 6.537 13.498 -4.222 1.00 0.00 H new ATOM 895 N LEU A 64 5.465 15.451 -8.191 1.00 0.00 N ATOM 896 CA LEU A 64 4.620 16.258 -9.057 1.00 0.00 C ATOM 897 C LEU A 64 4.687 15.708 -10.483 1.00 0.00 C ATOM 898 O LEU A 64 3.955 16.162 -11.362 1.00 0.00 O ATOM 899 CB LEU A 64 4.998 17.736 -8.949 1.00 0.00 C ATOM 900 CG LEU A 64 3.891 18.738 -9.283 1.00 0.00 C ATOM 901 CD1 LEU A 64 3.165 19.196 -8.017 1.00 0.00 C ATOM 902 CD2 LEU A 64 4.444 19.918 -10.086 1.00 0.00 C ATOM 0 H LEU A 64 5.025 14.602 -7.836 1.00 0.00 H new ATOM 0 HA LEU A 64 3.579 16.196 -8.739 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.341 17.929 -7.933 1.00 0.00 H new ATOM 0 HB3 LEU A 64 5.843 17.924 -9.612 1.00 0.00 H new ATOM 0 HG LEU A 64 3.155 18.237 -9.912 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.383 19.908 -8.283 1.00 0.00 H new ATOM 0 HD12 LEU A 64 2.718 18.334 -7.522 1.00 0.00 H new ATOM 0 HD13 LEU A 64 3.876 19.673 -7.342 1.00 0.00 H new ATOM 0 HD21 LEU A 64 3.637 20.615 -10.310 1.00 0.00 H new ATOM 0 HD22 LEU A 64 5.212 20.427 -9.503 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.878 19.553 -11.017 1.00 0.00 H new ATOM 913 N ILE A 65 5.571 14.739 -10.668 1.00 0.00 N ATOM 914 CA ILE A 65 5.742 14.122 -11.972 1.00 0.00 C ATOM 915 C ILE A 65 7.038 13.309 -11.981 1.00 0.00 C ATOM 916 O ILE A 65 7.793 13.346 -12.952 1.00 0.00 O ATOM 917 CB ILE A 65 5.672 15.178 -13.078 1.00 0.00 C ATOM 918 CG1 ILE A 65 6.115 14.596 -14.421 1.00 0.00 C ATOM 919 CG2 ILE A 65 6.477 16.423 -12.699 1.00 0.00 C ATOM 920 CD1 ILE A 65 5.174 15.033 -15.546 1.00 0.00 C ATOM 0 H ILE A 65 6.176 14.366 -9.937 1.00 0.00 H new ATOM 0 HA ILE A 65 4.927 13.427 -12.174 1.00 0.00 H new ATOM 0 HB ILE A 65 4.633 15.488 -13.189 1.00 0.00 H new ATOM 0 HG12 ILE A 65 7.131 14.921 -14.645 1.00 0.00 H new ATOM 0 HG13 ILE A 65 6.135 13.508 -14.361 1.00 0.00 H new ATOM 0 HG21 ILE A 65 6.411 17.157 -13.502 1.00 0.00 H new ATOM 0 HG22 ILE A 65 6.074 16.851 -11.781 1.00 0.00 H new ATOM 0 HG23 ILE A 65 7.520 16.148 -12.544 1.00 0.00 H new ATOM 0 HD11 ILE A 65 5.512 14.605 -16.490 1.00 0.00 H new ATOM 0 HD12 ILE A 65 4.164 14.685 -15.331 1.00 0.00 H new ATOM 0 HD13 ILE A 65 5.175 16.121 -15.620 1.00 0.00 H new ATOM 931 N GLN A 66 7.257 12.592 -10.888 1.00 0.00 N ATOM 932 CA GLN A 66 8.448 11.771 -10.758 1.00 0.00 C ATOM 933 C GLN A 66 8.364 10.910 -9.496 1.00 0.00 C ATOM 934 O GLN A 66 9.259 10.949 -8.652 1.00 0.00 O ATOM 935 CB GLN A 66 9.711 12.635 -10.749 1.00 0.00 C ATOM 936 CG GLN A 66 10.675 12.208 -11.857 1.00 0.00 C ATOM 937 CD GLN A 66 11.276 10.832 -11.562 1.00 0.00 C ATOM 938 OE1 GLN A 66 12.081 10.659 -10.662 1.00 0.00 O ATOM 939 NE2 GLN A 66 10.842 9.868 -12.369 1.00 0.00 N ATOM 0 H GLN A 66 6.629 12.563 -10.085 1.00 0.00 H new ATOM 0 HA GLN A 66 8.506 11.110 -11.622 1.00 0.00 H new ATOM 0 HB2 GLN A 66 9.440 13.683 -10.881 1.00 0.00 H new ATOM 0 HB3 GLN A 66 10.205 12.553 -9.781 1.00 0.00 H new ATOM 0 HG2 GLN A 66 10.149 12.182 -12.811 1.00 0.00 H new ATOM 0 HG3 GLN A 66 11.473 12.944 -11.953 1.00 0.00 H new ATOM 0 HE21 GLN A 66 10.167 10.083 -13.103 1.00 0.00 H new ATOM 0 HE22 GLN A 66 11.184 8.914 -12.254 1.00 0.00 H new ATOM 946 N LEU A 67 7.280 10.153 -9.405 1.00 0.00 N ATOM 947 CA LEU A 67 7.067 9.284 -8.260 1.00 0.00 C ATOM 948 C LEU A 67 5.570 9.016 -8.101 1.00 0.00 C ATOM 949 O LEU A 67 5.170 8.134 -7.343 1.00 0.00 O ATOM 950 CB LEU A 67 7.723 9.876 -7.010 1.00 0.00 C ATOM 951 CG LEU A 67 9.119 9.350 -6.674 1.00 0.00 C ATOM 952 CD1 LEU A 67 10.018 10.475 -6.156 1.00 0.00 C ATOM 953 CD2 LEU A 67 9.043 8.179 -5.691 1.00 0.00 C ATOM 0 H LEU A 67 6.540 10.124 -10.106 1.00 0.00 H new ATOM 0 HA LEU A 67 7.548 8.319 -8.418 1.00 0.00 H new ATOM 0 HB2 LEU A 67 7.783 10.957 -7.133 1.00 0.00 H new ATOM 0 HB3 LEU A 67 7.070 9.688 -6.157 1.00 0.00 H new ATOM 0 HG LEU A 67 9.571 8.972 -7.591 1.00 0.00 H new ATOM 0 HD11 LEU A 67 11.005 10.075 -5.924 1.00 0.00 H new ATOM 0 HD12 LEU A 67 10.110 11.248 -6.919 1.00 0.00 H new ATOM 0 HD13 LEU A 67 9.580 10.905 -5.255 1.00 0.00 H new ATOM 0 HD21 LEU A 67 10.050 7.824 -5.469 1.00 0.00 H new ATOM 0 HD22 LEU A 67 8.563 8.508 -4.769 1.00 0.00 H new ATOM 0 HD23 LEU A 67 8.462 7.370 -6.133 1.00 0.00 H new ATOM 964 N ASP A 68 4.781 9.794 -8.828 1.00 0.00 N ATOM 965 CA ASP A 68 3.335 9.651 -8.777 1.00 0.00 C ATOM 966 C ASP A 68 2.948 8.253 -9.262 1.00 0.00 C ATOM 967 O ASP A 68 2.204 7.542 -8.588 1.00 0.00 O ATOM 968 CB ASP A 68 2.648 10.674 -9.684 1.00 0.00 C ATOM 969 CG ASP A 68 1.171 10.923 -9.374 1.00 0.00 C ATOM 970 OD1 ASP A 68 0.734 10.475 -8.292 1.00 0.00 O ATOM 971 OD2 ASP A 68 0.511 11.555 -10.227 1.00 0.00 O ATOM 0 H ASP A 68 5.115 10.525 -9.456 1.00 0.00 H new ATOM 0 HA ASP A 68 3.016 9.811 -7.747 1.00 0.00 H new ATOM 0 HB2 ASP A 68 3.184 11.620 -9.610 1.00 0.00 H new ATOM 0 HB3 ASP A 68 2.735 10.338 -10.717 1.00 0.00 H new ATOM 975 N ASP A 69 3.470 7.900 -10.428 1.00 0.00 N ATOM 976 CA ASP A 69 3.187 6.599 -11.011 1.00 0.00 C ATOM 977 C ASP A 69 4.194 5.577 -10.479 1.00 0.00 C ATOM 978 O ASP A 69 3.943 4.374 -10.519 1.00 0.00 O ATOM 979 CB ASP A 69 3.316 6.640 -12.535 1.00 0.00 C ATOM 980 CG ASP A 69 2.010 6.906 -13.287 1.00 0.00 C ATOM 981 OD1 ASP A 69 1.349 7.909 -12.941 1.00 0.00 O ATOM 982 OD2 ASP A 69 1.702 6.100 -14.192 1.00 0.00 O ATOM 0 H ASP A 69 4.087 8.492 -10.984 1.00 0.00 H new ATOM 0 HA ASP A 69 2.168 6.323 -10.742 1.00 0.00 H new ATOM 0 HB2 ASP A 69 4.036 7.413 -12.803 1.00 0.00 H new ATOM 0 HB3 ASP A 69 3.727 5.690 -12.876 1.00 0.00 H new ATOM 986 N ASP A 70 5.313 6.094 -9.993 1.00 0.00 N ATOM 987 CA ASP A 70 6.359 5.242 -9.453 1.00 0.00 C ATOM 988 C ASP A 70 5.938 4.738 -8.071 1.00 0.00 C ATOM 989 O ASP A 70 6.495 3.765 -7.565 1.00 0.00 O ATOM 990 CB ASP A 70 7.671 6.012 -9.296 1.00 0.00 C ATOM 991 CG ASP A 70 8.923 5.256 -9.746 1.00 0.00 C ATOM 992 OD1 ASP A 70 9.276 4.278 -9.053 1.00 0.00 O ATOM 993 OD2 ASP A 70 9.499 5.673 -10.774 1.00 0.00 O ATOM 0 H ASP A 70 5.518 7.093 -9.962 1.00 0.00 H new ATOM 0 HA ASP A 70 6.508 4.413 -10.145 1.00 0.00 H new ATOM 0 HB2 ASP A 70 7.601 6.939 -9.865 1.00 0.00 H new ATOM 0 HB3 ASP A 70 7.789 6.289 -8.248 1.00 0.00 H new ATOM 997 N THR A 71 4.957 5.422 -7.501 1.00 0.00 N ATOM 998 CA THR A 71 4.455 5.057 -6.187 1.00 0.00 C ATOM 999 C THR A 71 2.994 4.611 -6.279 1.00 0.00 C ATOM 1000 O THR A 71 2.596 3.638 -5.642 1.00 0.00 O ATOM 1001 CB THR A 71 4.669 6.248 -5.250 1.00 0.00 C ATOM 1002 OG1 THR A 71 6.022 6.631 -5.482 1.00 0.00 O ATOM 1003 CG2 THR A 71 4.644 5.843 -3.775 1.00 0.00 C ATOM 0 H THR A 71 4.496 6.227 -7.925 1.00 0.00 H new ATOM 0 HA THR A 71 4.998 4.204 -5.780 1.00 0.00 H new ATOM 0 HB THR A 71 3.900 6.999 -5.433 1.00 0.00 H new ATOM 0 HG1 THR A 71 6.042 7.462 -6.001 1.00 0.00 H new ATOM 0 HG21 THR A 71 4.800 6.724 -3.153 1.00 0.00 H new ATOM 0 HG22 THR A 71 3.678 5.397 -3.536 1.00 0.00 H new ATOM 0 HG23 THR A 71 5.435 5.118 -3.583 1.00 0.00 H new ATOM 1011 N ALA A 72 2.234 5.346 -7.079 1.00 0.00 N ATOM 1012 CA ALA A 72 0.826 5.040 -7.262 1.00 0.00 C ATOM 1013 C ALA A 72 0.691 3.686 -7.962 1.00 0.00 C ATOM 1014 O ALA A 72 -0.194 2.898 -7.632 1.00 0.00 O ATOM 1015 CB ALA A 72 0.156 6.170 -8.046 1.00 0.00 C ATOM 0 H ALA A 72 2.567 6.152 -7.607 1.00 0.00 H new ATOM 0 HA ALA A 72 0.320 4.966 -6.299 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -0.901 5.941 -8.184 1.00 0.00 H new ATOM 0 HB2 ALA A 72 0.256 7.105 -7.494 1.00 0.00 H new ATOM 0 HB3 ALA A 72 0.635 6.271 -9.020 1.00 0.00 H new ATOM 1021 N GLU A 73 1.582 3.457 -8.916 1.00 0.00 N ATOM 1022 CA GLU A 73 1.573 2.212 -9.664 1.00 0.00 C ATOM 1023 C GLU A 73 1.961 1.044 -8.756 1.00 0.00 C ATOM 1024 O GLU A 73 1.670 -0.111 -9.065 1.00 0.00 O ATOM 1025 CB GLU A 73 2.501 2.295 -10.878 1.00 0.00 C ATOM 1026 CG GLU A 73 2.246 1.135 -11.844 1.00 0.00 C ATOM 1027 CD GLU A 73 3.320 1.083 -12.932 1.00 0.00 C ATOM 1028 OE1 GLU A 73 4.408 0.548 -12.631 1.00 0.00 O ATOM 1029 OE2 GLU A 73 3.027 1.579 -14.042 1.00 0.00 O ATOM 0 H GLU A 73 2.315 4.113 -9.188 1.00 0.00 H new ATOM 0 HA GLU A 73 0.562 2.040 -10.032 1.00 0.00 H new ATOM 0 HB2 GLU A 73 2.347 3.243 -11.394 1.00 0.00 H new ATOM 0 HB3 GLU A 73 3.540 2.277 -10.548 1.00 0.00 H new ATOM 0 HG2 GLU A 73 2.235 0.194 -11.294 1.00 0.00 H new ATOM 0 HG3 GLU A 73 1.264 1.248 -12.303 1.00 0.00 H new ATOM 1034 N LEU A 74 2.614 1.384 -7.654 1.00 0.00 N ATOM 1035 CA LEU A 74 3.046 0.377 -6.700 1.00 0.00 C ATOM 1036 C LEU A 74 1.853 -0.051 -5.842 1.00 0.00 C ATOM 1037 O LEU A 74 1.528 -1.235 -5.773 1.00 0.00 O ATOM 1038 CB LEU A 74 4.236 0.887 -5.885 1.00 0.00 C ATOM 1039 CG LEU A 74 5.622 0.500 -6.408 1.00 0.00 C ATOM 1040 CD1 LEU A 74 6.724 1.191 -5.602 1.00 0.00 C ATOM 1041 CD2 LEU A 74 5.794 -1.019 -6.431 1.00 0.00 C ATOM 0 H LEU A 74 2.854 2.342 -7.401 1.00 0.00 H new ATOM 0 HA LEU A 74 3.402 -0.512 -7.220 1.00 0.00 H new ATOM 0 HB2 LEU A 74 4.178 1.974 -5.836 1.00 0.00 H new ATOM 0 HB3 LEU A 74 4.138 0.516 -4.865 1.00 0.00 H new ATOM 0 HG LEU A 74 5.710 0.849 -7.437 1.00 0.00 H new ATOM 0 HD11 LEU A 74 7.699 0.899 -5.994 1.00 0.00 H new ATOM 0 HD12 LEU A 74 6.610 2.272 -5.682 1.00 0.00 H new ATOM 0 HD13 LEU A 74 6.650 0.894 -4.556 1.00 0.00 H new ATOM 0 HD21 LEU A 74 6.787 -1.267 -6.806 1.00 0.00 H new ATOM 0 HD22 LEU A 74 5.679 -1.414 -5.421 1.00 0.00 H new ATOM 0 HD23 LEU A 74 5.039 -1.461 -7.082 1.00 0.00 H new ATOM 1052 N MET A 75 1.233 0.935 -5.211 1.00 0.00 N ATOM 1053 CA MET A 75 0.084 0.675 -4.362 1.00 0.00 C ATOM 1054 C MET A 75 -1.158 0.367 -5.200 1.00 0.00 C ATOM 1055 O MET A 75 -2.106 -0.246 -4.709 1.00 0.00 O ATOM 1056 CB MET A 75 -0.184 1.895 -3.479 1.00 0.00 C ATOM 1057 CG MET A 75 -0.242 3.174 -4.315 1.00 0.00 C ATOM 1058 SD MET A 75 -1.478 4.281 -3.654 1.00 0.00 S ATOM 1059 CE MET A 75 -2.937 3.275 -3.860 1.00 0.00 C ATOM 0 H MET A 75 1.505 1.916 -5.271 1.00 0.00 H new ATOM 0 HA MET A 75 0.303 -0.193 -3.740 1.00 0.00 H new ATOM 0 HB2 MET A 75 -1.125 1.762 -2.945 1.00 0.00 H new ATOM 0 HB3 MET A 75 0.600 1.983 -2.727 1.00 0.00 H new ATOM 0 HG2 MET A 75 0.732 3.662 -4.315 1.00 0.00 H new ATOM 0 HG3 MET A 75 -0.477 2.931 -5.351 1.00 0.00 H new ATOM 0 HE1 MET A 75 -3.803 3.918 -4.018 1.00 0.00 H new ATOM 0 HE2 MET A 75 -2.809 2.621 -4.722 1.00 0.00 H new ATOM 0 HE3 MET A 75 -3.092 2.671 -2.966 1.00 0.00 H new ATOM 1067 N LYS A 76 -1.114 0.805 -6.449 1.00 0.00 N ATOM 1068 CA LYS A 76 -2.224 0.584 -7.361 1.00 0.00 C ATOM 1069 C LYS A 76 -2.074 -0.791 -8.015 1.00 0.00 C ATOM 1070 O LYS A 76 -2.910 -1.671 -7.818 1.00 0.00 O ATOM 1071 CB LYS A 76 -2.333 1.734 -8.362 1.00 0.00 C ATOM 1072 CG LYS A 76 -3.566 1.571 -9.253 1.00 0.00 C ATOM 1073 CD LYS A 76 -3.187 1.651 -10.733 1.00 0.00 C ATOM 1074 CE LYS A 76 -3.456 3.049 -11.294 1.00 0.00 C ATOM 1075 NZ LYS A 76 -3.317 3.051 -12.768 1.00 0.00 N ATOM 0 H LYS A 76 -0.326 1.313 -6.852 1.00 0.00 H new ATOM 0 HA LYS A 76 -3.169 0.577 -6.817 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -2.389 2.682 -7.827 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -1.436 1.769 -8.980 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -4.044 0.613 -9.047 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -4.294 2.347 -9.018 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -2.133 1.403 -10.856 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -3.756 0.913 -11.298 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -4.460 3.372 -11.017 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -2.759 3.764 -10.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -3.503 4.007 -13.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -2.351 2.763 -13.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -3.999 2.384 -13.182 1.00 0.00 H new ATOM 1085 N GLN A 77 -1.003 -0.931 -8.782 1.00 0.00 N ATOM 1086 CA GLN A 77 -0.733 -2.184 -9.468 1.00 0.00 C ATOM 1087 C GLN A 77 -0.709 -3.342 -8.468 1.00 0.00 C ATOM 1088 O GLN A 77 -0.995 -4.482 -8.828 1.00 0.00 O ATOM 1089 CB GLN A 77 0.579 -2.108 -10.251 1.00 0.00 C ATOM 1090 CG GLN A 77 0.648 -3.208 -11.312 1.00 0.00 C ATOM 1091 CD GLN A 77 1.838 -2.991 -12.250 1.00 0.00 C ATOM 1092 OE1 GLN A 77 1.767 -2.261 -13.225 1.00 0.00 O ATOM 1093 NE2 GLN A 77 2.931 -3.665 -11.902 1.00 0.00 N ATOM 0 H GLN A 77 -0.312 -0.198 -8.944 1.00 0.00 H new ATOM 0 HA GLN A 77 -1.535 -2.365 -10.184 1.00 0.00 H new ATOM 0 HB2 GLN A 77 0.666 -1.132 -10.728 1.00 0.00 H new ATOM 0 HB3 GLN A 77 1.422 -2.205 -9.566 1.00 0.00 H new ATOM 0 HG2 GLN A 77 0.735 -4.181 -10.828 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -0.277 -3.221 -11.889 1.00 0.00 H new ATOM 0 HE21 GLN A 77 2.922 -4.259 -11.073 1.00 0.00 H new ATOM 0 HE22 GLN A 77 3.778 -3.588 -12.464 1.00 0.00 H new ATOM 1100 N ALA A 78 -0.364 -3.008 -7.233 1.00 0.00 N ATOM 1101 CA ALA A 78 -0.299 -4.006 -6.179 1.00 0.00 C ATOM 1102 C ALA A 78 -1.697 -4.219 -5.597 1.00 0.00 C ATOM 1103 O ALA A 78 -2.201 -5.341 -5.578 1.00 0.00 O ATOM 1104 CB ALA A 78 0.713 -3.565 -5.119 1.00 0.00 C ATOM 0 H ALA A 78 -0.127 -2.061 -6.939 1.00 0.00 H new ATOM 0 HA ALA A 78 0.042 -4.962 -6.577 1.00 0.00 H new ATOM 0 HB1 ALA A 78 0.762 -4.314 -4.328 1.00 0.00 H new ATOM 0 HB2 ALA A 78 1.696 -3.457 -5.577 1.00 0.00 H new ATOM 0 HB3 ALA A 78 0.403 -2.610 -4.695 1.00 0.00 H new ATOM 1110 N ARG A 79 -2.286 -3.124 -5.137 1.00 0.00 N ATOM 1111 CA ARG A 79 -3.617 -3.177 -4.557 1.00 0.00 C ATOM 1112 C ARG A 79 -4.661 -3.432 -5.645 1.00 0.00 C ATOM 1113 O ARG A 79 -5.858 -3.467 -5.365 1.00 0.00 O ATOM 1114 CB ARG A 79 -3.953 -1.874 -3.831 1.00 0.00 C ATOM 1115 CG ARG A 79 -5.164 -2.053 -2.913 1.00 0.00 C ATOM 1116 CD ARG A 79 -6.098 -0.845 -2.993 1.00 0.00 C ATOM 1117 NE ARG A 79 -6.667 -0.735 -4.355 1.00 0.00 N ATOM 1118 CZ ARG A 79 -7.491 0.245 -4.749 1.00 0.00 C ATOM 1119 NH1 ARG A 79 -7.847 1.208 -3.886 1.00 0.00 N ATOM 1120 NH2 ARG A 79 -7.959 0.264 -6.004 1.00 0.00 N ATOM 0 H ARG A 79 -1.865 -2.195 -5.154 1.00 0.00 H new ATOM 0 HA ARG A 79 -3.633 -3.995 -3.837 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -3.093 -1.548 -3.245 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -4.158 -1.090 -4.560 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -5.707 -2.956 -3.194 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -4.828 -2.190 -1.885 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -6.900 -0.946 -2.262 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -5.552 0.065 -2.743 1.00 0.00 H new ATOM 0 HE ARG A 79 -6.416 -1.451 -5.037 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -7.490 1.194 -2.930 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -8.474 1.955 -4.185 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -7.688 -0.468 -6.660 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -8.586 1.011 -6.303 1.00 0.00 H new ATOM 1131 N ASP A 80 -4.170 -3.601 -6.864 1.00 0.00 N ATOM 1132 CA ASP A 80 -5.046 -3.851 -7.996 1.00 0.00 C ATOM 1133 C ASP A 80 -4.771 -5.252 -8.549 1.00 0.00 C ATOM 1134 O ASP A 80 -5.695 -5.954 -8.957 1.00 0.00 O ATOM 1135 CB ASP A 80 -4.797 -2.842 -9.118 1.00 0.00 C ATOM 1136 CG ASP A 80 -5.717 -2.985 -10.332 1.00 0.00 C ATOM 1137 OD1 ASP A 80 -6.652 -3.810 -10.241 1.00 0.00 O ATOM 1138 OD2 ASP A 80 -5.467 -2.265 -11.323 1.00 0.00 O ATOM 0 H ASP A 80 -3.176 -3.570 -7.092 1.00 0.00 H new ATOM 0 HA ASP A 80 -6.076 -3.760 -7.652 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -4.908 -1.836 -8.713 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -3.764 -2.939 -9.451 1.00 0.00 H new ATOM 1142 N MET A 81 -3.496 -5.614 -8.545 1.00 0.00 N ATOM 1143 CA MET A 81 -3.088 -6.917 -9.042 1.00 0.00 C ATOM 1144 C MET A 81 -3.575 -8.034 -8.116 1.00 0.00 C ATOM 1145 O MET A 81 -4.316 -8.918 -8.541 1.00 0.00 O ATOM 1146 CB MET A 81 -1.563 -6.968 -9.147 1.00 0.00 C ATOM 1147 CG MET A 81 -1.081 -8.392 -9.435 1.00 0.00 C ATOM 1148 SD MET A 81 -1.494 -8.849 -11.110 1.00 0.00 S ATOM 1149 CE MET A 81 -0.223 -10.063 -11.423 1.00 0.00 C ATOM 0 H MET A 81 -2.733 -5.028 -8.206 1.00 0.00 H new ATOM 0 HA MET A 81 -3.534 -7.067 -10.025 1.00 0.00 H new ATOM 0 HB2 MET A 81 -1.227 -6.299 -9.939 1.00 0.00 H new ATOM 0 HB3 MET A 81 -1.119 -6.611 -8.218 1.00 0.00 H new ATOM 0 HG2 MET A 81 -0.003 -8.457 -9.287 1.00 0.00 H new ATOM 0 HG3 MET A 81 -1.541 -9.089 -8.735 1.00 0.00 H new ATOM 0 HE1 MET A 81 -0.335 -10.454 -12.434 1.00 0.00 H new ATOM 0 HE2 MET A 81 0.757 -9.598 -11.320 1.00 0.00 H new ATOM 0 HE3 MET A 81 -0.315 -10.879 -10.706 1.00 0.00 H new ATOM 1157 N TYR A 82 -3.136 -7.957 -6.868 1.00 0.00 N ATOM 1158 CA TYR A 82 -3.518 -8.949 -5.878 1.00 0.00 C ATOM 1159 C TYR A 82 -4.189 -8.291 -4.671 1.00 0.00 C ATOM 1160 O TYR A 82 -4.962 -8.931 -3.961 1.00 0.00 O ATOM 1161 CB TYR A 82 -2.216 -9.613 -5.423 1.00 0.00 C ATOM 1162 CG TYR A 82 -0.952 -8.881 -5.881 1.00 0.00 C ATOM 1163 CD1 TYR A 82 -0.608 -7.675 -5.308 1.00 0.00 C ATOM 1164 CD2 TYR A 82 -0.156 -9.431 -6.866 1.00 0.00 C ATOM 1165 CE1 TYR A 82 0.581 -6.986 -5.739 1.00 0.00 C ATOM 1166 CE2 TYR A 82 1.033 -8.742 -7.297 1.00 0.00 C ATOM 1167 CZ TYR A 82 1.344 -7.555 -6.711 1.00 0.00 C ATOM 1168 OH TYR A 82 2.467 -6.904 -7.117 1.00 0.00 O ATOM 0 H TYR A 82 -2.519 -7.223 -6.520 1.00 0.00 H new ATOM 0 HA TYR A 82 -4.226 -9.661 -6.302 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -2.213 -9.676 -4.335 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -2.189 -10.635 -5.802 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -1.230 -7.247 -4.536 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -0.425 -10.377 -7.313 1.00 0.00 H new ATOM 0 HE1 TYR A 82 0.860 -6.039 -5.301 1.00 0.00 H new ATOM 0 HE2 TYR A 82 1.664 -9.159 -8.068 1.00 0.00 H new ATOM 0 HH TYR A 82 2.914 -7.427 -7.815 1.00 0.00 H new ATOM 1177 N GLY A 83 -3.869 -7.021 -4.477 1.00 0.00 N ATOM 1178 CA GLY A 83 -4.432 -6.269 -3.368 1.00 0.00 C ATOM 1179 C GLY A 83 -3.359 -5.942 -2.327 1.00 0.00 C ATOM 1180 O GLY A 83 -3.616 -6.007 -1.125 1.00 0.00 O ATOM 0 H GLY A 83 -3.227 -6.493 -5.068 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -4.877 -5.346 -3.739 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -5.232 -6.845 -2.903 1.00 0.00 H new ATOM 1184 N GLN A 84 -2.180 -5.599 -2.825 1.00 0.00 N ATOM 1185 CA GLN A 84 -1.068 -5.263 -1.952 1.00 0.00 C ATOM 1186 C GLN A 84 -0.354 -6.534 -1.490 1.00 0.00 C ATOM 1187 O GLN A 84 0.532 -6.477 -0.638 1.00 0.00 O ATOM 1188 CB GLN A 84 -1.541 -4.434 -0.756 1.00 0.00 C ATOM 1189 CG GLN A 84 -0.401 -3.580 -0.196 1.00 0.00 C ATOM 1190 CD GLN A 84 -0.589 -3.330 1.302 1.00 0.00 C ATOM 1191 OE1 GLN A 84 -0.712 -2.207 1.758 1.00 0.00 O ATOM 1192 NE2 GLN A 84 -0.601 -4.439 2.038 1.00 0.00 N ATOM 0 H GLN A 84 -1.971 -5.547 -3.822 1.00 0.00 H new ATOM 0 HA GLN A 84 -0.359 -4.656 -2.515 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -2.367 -3.791 -1.059 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -1.921 -5.096 0.022 1.00 0.00 H new ATOM 0 HG2 GLN A 84 0.552 -4.081 -0.368 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -0.361 -2.628 -0.725 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -0.493 -5.349 1.591 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -0.719 -4.379 3.049 1.00 0.00 H new ATOM 1199 N GLU A 85 -0.764 -7.651 -2.072 1.00 0.00 N ATOM 1200 CA GLU A 85 -0.174 -8.933 -1.731 1.00 0.00 C ATOM 1201 C GLU A 85 -1.003 -10.074 -2.325 1.00 0.00 C ATOM 1202 O GLU A 85 -0.460 -10.968 -2.975 1.00 0.00 O ATOM 1203 CB GLU A 85 -0.037 -9.088 -0.215 1.00 0.00 C ATOM 1204 CG GLU A 85 1.427 -9.284 0.186 1.00 0.00 C ATOM 1205 CD GLU A 85 1.760 -10.770 0.333 1.00 0.00 C ATOM 1206 OE1 GLU A 85 1.512 -11.301 1.437 1.00 0.00 O ATOM 1207 OE2 GLU A 85 2.258 -11.341 -0.661 1.00 0.00 O ATOM 0 H GLU A 85 -1.499 -7.694 -2.778 1.00 0.00 H new ATOM 0 HA GLU A 85 0.827 -8.975 -2.160 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -0.439 -8.205 0.282 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -0.627 -9.940 0.122 1.00 0.00 H new ATOM 0 HG2 GLU A 85 2.077 -8.834 -0.565 1.00 0.00 H new ATOM 0 HG3 GLU A 85 1.622 -8.769 1.127 1.00 0.00 H new ATOM 1212 N LYS A 86 -2.304 -10.008 -2.081 1.00 0.00 N ATOM 1213 CA LYS A 86 -3.212 -11.024 -2.584 1.00 0.00 C ATOM 1214 C LYS A 86 -4.383 -11.181 -1.612 1.00 0.00 C ATOM 1215 O LYS A 86 -4.968 -12.258 -1.509 1.00 0.00 O ATOM 1216 CB LYS A 86 -2.460 -12.328 -2.857 1.00 0.00 C ATOM 1217 CG LYS A 86 -3.430 -13.504 -2.985 1.00 0.00 C ATOM 1218 CD LYS A 86 -2.847 -14.602 -3.878 1.00 0.00 C ATOM 1219 CE LYS A 86 -3.958 -15.386 -4.579 1.00 0.00 C ATOM 1220 NZ LYS A 86 -3.670 -16.837 -4.543 1.00 0.00 N ATOM 0 H LYS A 86 -2.750 -9.266 -1.541 1.00 0.00 H new ATOM 0 HA LYS A 86 -3.631 -10.719 -3.543 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -1.878 -12.231 -3.773 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -1.754 -12.521 -2.049 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -3.646 -13.911 -1.997 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -4.376 -13.156 -3.401 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -2.186 -14.158 -4.622 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -2.241 -15.281 -3.278 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -4.914 -15.187 -4.094 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -4.050 -15.053 -5.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -4.434 -17.355 -5.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -2.768 -17.024 -5.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -3.605 -17.154 -3.554 1.00 0.00 H new ATOM 1230 N LEU A 87 -4.689 -10.092 -0.924 1.00 0.00 N ATOM 1231 CA LEU A 87 -5.779 -10.094 0.037 1.00 0.00 C ATOM 1232 C LEU A 87 -6.681 -8.884 -0.216 1.00 0.00 C ATOM 1233 O LEU A 87 -7.345 -8.398 0.698 1.00 0.00 O ATOM 1234 CB LEU A 87 -5.235 -10.169 1.465 1.00 0.00 C ATOM 1235 CG LEU A 87 -4.246 -11.301 1.748 1.00 0.00 C ATOM 1236 CD1 LEU A 87 -3.309 -10.935 2.901 1.00 0.00 C ATOM 1237 CD2 LEU A 87 -4.979 -12.619 2.002 1.00 0.00 C ATOM 0 H LEU A 87 -4.201 -9.201 -1.013 1.00 0.00 H new ATOM 0 HA LEU A 87 -6.397 -10.983 -0.091 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -4.748 -9.222 1.697 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -6.078 -10.270 2.149 1.00 0.00 H new ATOM 0 HG LEU A 87 -3.627 -11.443 0.862 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -2.616 -11.757 3.082 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -2.748 -10.037 2.643 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -3.895 -10.750 3.801 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -4.253 -13.407 2.200 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -5.639 -12.508 2.863 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -5.569 -12.882 1.124 1.00 0.00 H new ATOM 1248 N ASN A 88 -6.674 -8.432 -1.461 1.00 0.00 N ATOM 1249 CA ASN A 88 -7.482 -7.287 -1.846 1.00 0.00 C ATOM 1250 C ASN A 88 -8.838 -7.365 -1.141 1.00 0.00 C ATOM 1251 O ASN A 88 -9.453 -6.339 -0.854 1.00 0.00 O ATOM 1252 CB ASN A 88 -7.734 -7.273 -3.355 1.00 0.00 C ATOM 1253 CG ASN A 88 -8.807 -8.293 -3.742 1.00 0.00 C ATOM 1254 OD1 ASN A 88 -8.524 -9.423 -4.105 1.00 0.00 O ATOM 1255 ND2 ASN A 88 -10.050 -7.833 -3.642 1.00 0.00 N ATOM 0 H ASN A 88 -6.122 -8.838 -2.216 1.00 0.00 H new ATOM 0 HA ASN A 88 -6.943 -6.383 -1.562 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -8.046 -6.276 -3.666 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -6.807 -7.496 -3.884 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -10.838 -8.437 -3.876 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -10.216 -6.876 -3.331 1.00 0.00 H new ATOM 1261 N GLU A 89 -9.264 -8.592 -0.882 1.00 0.00 N ATOM 1262 CA GLU A 89 -10.536 -8.818 -0.215 1.00 0.00 C ATOM 1263 C GLU A 89 -10.604 -8.013 1.083 1.00 0.00 C ATOM 1264 O GLU A 89 -11.659 -7.488 1.436 1.00 0.00 O ATOM 1265 CB GLU A 89 -10.758 -10.308 0.050 1.00 0.00 C ATOM 1266 CG GLU A 89 -12.223 -10.691 -0.169 1.00 0.00 C ATOM 1267 CD GLU A 89 -12.369 -11.649 -1.353 1.00 0.00 C ATOM 1268 OE1 GLU A 89 -12.390 -11.141 -2.495 1.00 0.00 O ATOM 1269 OE2 GLU A 89 -12.456 -12.868 -1.089 1.00 0.00 O ATOM 0 H GLU A 89 -8.751 -9.441 -1.122 1.00 0.00 H new ATOM 0 HA GLU A 89 -11.336 -8.477 -0.873 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -10.122 -10.897 -0.610 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -10.465 -10.547 1.072 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -12.619 -11.159 0.733 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -12.814 -9.793 -0.348 1.00 0.00 H new ATOM 1274 N LYS A 90 -9.466 -7.940 1.758 1.00 0.00 N ATOM 1275 CA LYS A 90 -9.384 -7.208 3.010 1.00 0.00 C ATOM 1276 C LYS A 90 -8.413 -6.037 2.849 1.00 0.00 C ATOM 1277 O LYS A 90 -8.554 -5.011 3.513 1.00 0.00 O ATOM 1278 CB LYS A 90 -9.026 -8.151 4.160 1.00 0.00 C ATOM 1279 CG LYS A 90 -10.273 -8.842 4.713 1.00 0.00 C ATOM 1280 CD LYS A 90 -9.926 -9.723 5.914 1.00 0.00 C ATOM 1281 CE LYS A 90 -11.153 -9.955 6.798 1.00 0.00 C ATOM 1282 NZ LYS A 90 -10.866 -10.980 7.826 1.00 0.00 N ATOM 0 H LYS A 90 -8.593 -8.376 1.461 1.00 0.00 H new ATOM 0 HA LYS A 90 -10.355 -6.784 3.267 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -8.315 -8.900 3.812 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -8.534 -7.590 4.955 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -11.008 -8.093 5.008 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -10.732 -9.449 3.933 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -9.538 -10.680 5.567 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -9.136 -9.252 6.499 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -11.444 -9.021 7.279 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -11.996 -10.273 6.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -11.710 -11.125 8.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -10.611 -11.875 7.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -10.076 -10.662 8.423 1.00 0.00 H new ATOM 1292 N LEU A 91 -7.447 -6.229 1.962 1.00 0.00 N ATOM 1293 CA LEU A 91 -6.453 -5.202 1.704 1.00 0.00 C ATOM 1294 C LEU A 91 -7.109 -4.037 0.960 1.00 0.00 C ATOM 1295 O LEU A 91 -6.946 -2.880 1.343 1.00 0.00 O ATOM 1296 CB LEU A 91 -5.246 -5.796 0.975 1.00 0.00 C ATOM 1297 CG LEU A 91 -4.215 -6.507 1.854 1.00 0.00 C ATOM 1298 CD1 LEU A 91 -4.897 -7.267 2.993 1.00 0.00 C ATOM 1299 CD2 LEU A 91 -3.315 -7.418 1.015 1.00 0.00 C ATOM 0 H LEU A 91 -7.332 -7.081 1.413 1.00 0.00 H new ATOM 0 HA LEU A 91 -6.066 -4.803 2.642 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -5.609 -6.504 0.230 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -4.742 -4.995 0.435 1.00 0.00 H new ATOM 0 HG LEU A 91 -3.574 -5.752 2.309 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -4.142 -7.763 3.603 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -5.460 -6.568 3.611 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -5.576 -8.012 2.578 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -2.591 -7.912 1.663 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -3.925 -8.170 0.513 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -2.788 -6.822 0.270 1.00 0.00 H new ATOM 1310 N ASN A 92 -7.838 -4.384 -0.091 1.00 0.00 N ATOM 1311 CA ASN A 92 -8.520 -3.382 -0.893 1.00 0.00 C ATOM 1312 C ASN A 92 -9.369 -2.496 0.021 1.00 0.00 C ATOM 1313 O ASN A 92 -9.596 -1.325 -0.281 1.00 0.00 O ATOM 1314 CB ASN A 92 -9.450 -4.035 -1.917 1.00 0.00 C ATOM 1315 CG ASN A 92 -9.861 -3.036 -3.000 1.00 0.00 C ATOM 1316 OD1 ASN A 92 -9.781 -1.830 -2.831 1.00 0.00 O ATOM 1317 ND2 ASN A 92 -10.306 -3.602 -4.118 1.00 0.00 N ATOM 0 H ASN A 92 -7.971 -5.345 -0.406 1.00 0.00 H new ATOM 0 HA ASN A 92 -7.764 -2.796 -1.416 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -8.950 -4.888 -2.375 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -10.338 -4.418 -1.415 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -10.606 -3.020 -4.900 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -10.347 -4.618 -4.194 1.00 0.00 H new ATOM 1323 N THR A 93 -9.816 -3.089 1.118 1.00 0.00 N ATOM 1324 CA THR A 93 -10.635 -2.368 2.077 1.00 0.00 C ATOM 1325 C THR A 93 -9.752 -1.611 3.071 1.00 0.00 C ATOM 1326 O THR A 93 -10.146 -0.565 3.584 1.00 0.00 O ATOM 1327 CB THR A 93 -11.576 -3.373 2.744 1.00 0.00 C ATOM 1328 OG1 THR A 93 -12.861 -2.766 2.644 1.00 0.00 O ATOM 1329 CG2 THR A 93 -11.337 -3.490 4.251 1.00 0.00 C ATOM 0 H THR A 93 -9.626 -4.061 1.364 1.00 0.00 H new ATOM 0 HA THR A 93 -11.242 -1.608 1.586 1.00 0.00 H new ATOM 0 HB THR A 93 -11.449 -4.351 2.279 1.00 0.00 H new ATOM 0 HG1 THR A 93 -13.532 -3.352 3.051 1.00 0.00 H new ATOM 0 HG21 THR A 93 -12.031 -4.216 4.674 1.00 0.00 H new ATOM 0 HG22 THR A 93 -10.313 -3.818 4.433 1.00 0.00 H new ATOM 0 HG23 THR A 93 -11.496 -2.519 4.721 1.00 0.00 H new ATOM 1337 N ILE A 94 -8.575 -2.168 3.311 1.00 0.00 N ATOM 1338 CA ILE A 94 -7.633 -1.559 4.234 1.00 0.00 C ATOM 1339 C ILE A 94 -7.055 -0.290 3.602 1.00 0.00 C ATOM 1340 O ILE A 94 -6.833 0.705 4.291 1.00 0.00 O ATOM 1341 CB ILE A 94 -6.569 -2.572 4.661 1.00 0.00 C ATOM 1342 CG1 ILE A 94 -6.236 -2.422 6.147 1.00 0.00 C ATOM 1343 CG2 ILE A 94 -5.323 -2.463 3.781 1.00 0.00 C ATOM 1344 CD1 ILE A 94 -7.430 -2.815 7.019 1.00 0.00 C ATOM 0 H ILE A 94 -8.252 -3.035 2.882 1.00 0.00 H new ATOM 0 HA ILE A 94 -8.139 -1.258 5.151 1.00 0.00 H new ATOM 0 HB ILE A 94 -6.975 -3.574 4.521 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -5.378 -3.047 6.396 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -5.951 -1.391 6.357 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -4.583 -3.194 4.106 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -5.593 -2.657 2.743 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -4.904 -1.460 3.866 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -7.166 -2.699 8.070 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -8.279 -2.172 6.785 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -7.697 -3.854 6.824 1.00 0.00 H new ATOM 1355 N ILE A 95 -6.828 -0.367 2.299 1.00 0.00 N ATOM 1356 CA ILE A 95 -6.281 0.762 1.567 1.00 0.00 C ATOM 1357 C ILE A 95 -7.414 1.720 1.193 1.00 0.00 C ATOM 1358 O ILE A 95 -7.242 2.937 1.232 1.00 0.00 O ATOM 1359 CB ILE A 95 -5.465 0.278 0.367 1.00 0.00 C ATOM 1360 CG1 ILE A 95 -4.077 -0.198 0.803 1.00 0.00 C ATOM 1361 CG2 ILE A 95 -5.386 1.357 -0.715 1.00 0.00 C ATOM 1362 CD1 ILE A 95 -3.255 0.961 1.372 1.00 0.00 C ATOM 0 H ILE A 95 -7.013 -1.194 1.731 1.00 0.00 H new ATOM 0 HA ILE A 95 -5.585 1.320 2.193 1.00 0.00 H new ATOM 0 HB ILE A 95 -5.978 -0.579 -0.070 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -4.176 -0.982 1.554 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -3.555 -0.636 -0.048 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -4.800 0.986 -1.556 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -6.391 1.606 -1.054 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -4.910 2.248 -0.306 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -2.273 0.597 1.674 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -3.137 1.732 0.610 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -3.768 1.381 2.237 1.00 0.00 H new ATOM 1373 N LYS A 96 -8.548 1.134 0.839 1.00 0.00 N ATOM 1374 CA LYS A 96 -9.710 1.920 0.459 1.00 0.00 C ATOM 1375 C LYS A 96 -10.288 2.601 1.701 1.00 0.00 C ATOM 1376 O LYS A 96 -10.970 3.620 1.595 1.00 0.00 O ATOM 1377 CB LYS A 96 -10.721 1.052 -0.294 1.00 0.00 C ATOM 1378 CG LYS A 96 -11.942 1.874 -0.714 1.00 0.00 C ATOM 1379 CD LYS A 96 -12.818 1.090 -1.694 1.00 0.00 C ATOM 1380 CE LYS A 96 -13.806 2.016 -2.406 1.00 0.00 C ATOM 1381 NZ LYS A 96 -14.545 1.278 -3.454 1.00 0.00 N ATOM 0 H LYS A 96 -8.687 0.124 0.807 1.00 0.00 H new ATOM 0 HA LYS A 96 -9.425 2.711 -0.235 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -10.249 0.619 -1.176 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -11.036 0.222 0.339 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -12.525 2.142 0.167 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -11.616 2.806 -1.176 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -12.189 0.589 -2.429 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -13.363 0.313 -1.159 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -14.507 2.433 -1.684 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -13.271 2.854 -2.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -15.211 1.921 -3.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -13.873 0.901 -4.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -15.071 0.493 -3.020 1.00 0.00 H new ATOM 1391 N GLN A 97 -9.995 2.011 2.851 1.00 0.00 N ATOM 1392 CA GLN A 97 -10.478 2.549 4.111 1.00 0.00 C ATOM 1393 C GLN A 97 -9.532 3.638 4.622 1.00 0.00 C ATOM 1394 O GLN A 97 -9.979 4.683 5.092 1.00 0.00 O ATOM 1395 CB GLN A 97 -10.647 1.439 5.151 1.00 0.00 C ATOM 1396 CG GLN A 97 -11.072 2.015 6.504 1.00 0.00 C ATOM 1397 CD GLN A 97 -11.849 0.981 7.321 1.00 0.00 C ATOM 1398 OE1 GLN A 97 -13.062 0.876 7.245 1.00 0.00 O ATOM 1399 NE2 GLN A 97 -11.084 0.225 8.103 1.00 0.00 N ATOM 0 H GLN A 97 -9.430 1.166 2.936 1.00 0.00 H new ATOM 0 HA GLN A 97 -11.457 2.997 3.941 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -11.393 0.723 4.806 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -9.710 0.894 5.262 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -10.191 2.335 7.060 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -11.690 2.900 6.349 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -10.074 0.366 8.118 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -11.507 -0.496 8.687 1.00 0.00 H new ATOM 1406 N ILE A 98 -8.242 3.357 4.509 1.00 0.00 N ATOM 1407 CA ILE A 98 -7.229 4.300 4.952 1.00 0.00 C ATOM 1408 C ILE A 98 -7.236 5.520 4.030 1.00 0.00 C ATOM 1409 O ILE A 98 -6.745 6.586 4.400 1.00 0.00 O ATOM 1410 CB ILE A 98 -5.866 3.613 5.054 1.00 0.00 C ATOM 1411 CG1 ILE A 98 -5.055 4.175 6.223 1.00 0.00 C ATOM 1412 CG2 ILE A 98 -5.104 3.708 3.730 1.00 0.00 C ATOM 1413 CD1 ILE A 98 -5.863 4.132 7.521 1.00 0.00 C ATOM 0 H ILE A 98 -7.875 2.490 4.117 1.00 0.00 H new ATOM 0 HA ILE A 98 -7.455 4.658 5.956 1.00 0.00 H new ATOM 0 HB ILE A 98 -6.031 2.555 5.256 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -4.137 3.600 6.343 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -4.762 5.202 6.007 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -4.139 3.212 3.829 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -5.681 3.224 2.942 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -4.949 4.756 3.474 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -5.264 4.537 8.336 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -6.769 4.728 7.406 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -6.133 3.101 7.747 1.00 0.00 H new ATOM 1424 N LEU A 99 -7.798 5.324 2.847 1.00 0.00 N ATOM 1425 CA LEU A 99 -7.875 6.396 1.868 1.00 0.00 C ATOM 1426 C LEU A 99 -9.281 7.003 1.892 1.00 0.00 C ATOM 1427 O LEU A 99 -9.460 8.174 1.562 1.00 0.00 O ATOM 1428 CB LEU A 99 -7.446 5.894 0.488 1.00 0.00 C ATOM 1429 CG LEU A 99 -5.970 6.083 0.135 1.00 0.00 C ATOM 1430 CD1 LEU A 99 -5.114 4.968 0.740 1.00 0.00 C ATOM 1431 CD2 LEU A 99 -5.778 6.195 -1.379 1.00 0.00 C ATOM 0 H LEU A 99 -8.205 4.439 2.544 1.00 0.00 H new ATOM 0 HA LEU A 99 -7.178 7.194 2.122 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -7.682 4.832 0.420 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -8.047 6.403 -0.265 1.00 0.00 H new ATOM 0 HG LEU A 99 -5.632 7.022 0.573 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -4.069 5.126 0.474 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -5.218 4.978 1.825 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -5.445 4.004 0.353 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -4.720 6.329 -1.603 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -6.138 5.286 -1.860 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -6.339 7.051 -1.755 1.00 0.00 H new ATOM 1442 N SER A 100 -10.239 6.178 2.286 1.00 0.00 N ATOM 1443 CA SER A 100 -11.622 6.619 2.358 1.00 0.00 C ATOM 1444 C SER A 100 -11.884 7.306 3.699 1.00 0.00 C ATOM 1445 O SER A 100 -12.903 7.972 3.872 1.00 0.00 O ATOM 1446 CB SER A 100 -12.584 5.445 2.166 1.00 0.00 C ATOM 1447 OG SER A 100 -13.941 5.825 2.381 1.00 0.00 O ATOM 0 H SER A 100 -10.086 5.207 2.559 1.00 0.00 H new ATOM 0 HA SER A 100 -11.796 7.332 1.552 1.00 0.00 H new ATOM 0 HB2 SER A 100 -12.474 5.048 1.157 1.00 0.00 H new ATOM 0 HB3 SER A 100 -12.319 4.643 2.855 1.00 0.00 H new ATOM 0 HG SER A 100 -13.970 6.669 2.877 1.00 0.00 H new ATOM 1452 N ILE A 101 -10.944 7.120 4.616 1.00 0.00 N ATOM 1453 CA ILE A 101 -11.061 7.714 5.937 1.00 0.00 C ATOM 1454 C ILE A 101 -11.066 9.238 5.808 1.00 0.00 C ATOM 1455 O ILE A 101 -11.360 9.946 6.769 1.00 0.00 O ATOM 1456 CB ILE A 101 -9.967 7.178 6.864 1.00 0.00 C ATOM 1457 CG1 ILE A 101 -10.195 7.639 8.305 1.00 0.00 C ATOM 1458 CG2 ILE A 101 -8.578 7.562 6.351 1.00 0.00 C ATOM 1459 CD1 ILE A 101 -11.645 7.403 8.734 1.00 0.00 C ATOM 0 H ILE A 101 -10.099 6.567 4.470 1.00 0.00 H new ATOM 0 HA ILE A 101 -12.006 7.430 6.400 1.00 0.00 H new ATOM 0 HB ILE A 101 -10.021 6.089 6.863 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -9.522 7.101 8.973 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -9.954 8.698 8.394 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -7.819 7.169 7.027 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -8.429 7.143 5.356 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -8.495 8.648 6.304 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -11.780 7.739 9.762 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -12.314 7.961 8.079 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -11.876 6.340 8.667 1.00 0.00 H new ATOM 1470 N SER A 102 -10.733 9.700 4.611 1.00 0.00 N ATOM 1471 CA SER A 102 -10.695 11.127 4.343 1.00 0.00 C ATOM 1472 C SER A 102 -9.629 11.433 3.290 1.00 0.00 C ATOM 1473 O SER A 102 -8.934 12.444 3.380 1.00 0.00 O ATOM 1474 CB SER A 102 -10.420 11.920 5.623 1.00 0.00 C ATOM 1475 OG SER A 102 -11.622 12.255 6.312 1.00 0.00 O ATOM 0 H SER A 102 -10.487 9.110 3.816 1.00 0.00 H new ATOM 0 HA SER A 102 -11.670 11.430 3.962 1.00 0.00 H new ATOM 0 HB2 SER A 102 -9.776 11.336 6.280 1.00 0.00 H new ATOM 0 HB3 SER A 102 -9.878 12.833 5.375 1.00 0.00 H new ATOM 0 HG SER A 102 -12.045 11.438 6.649 1.00 0.00 H new ATOM 1480 N VAL A 103 -9.534 10.543 2.313 1.00 0.00 N ATOM 1481 CA VAL A 103 -8.564 10.705 1.244 1.00 0.00 C ATOM 1482 C VAL A 103 -9.143 10.138 -0.054 1.00 0.00 C ATOM 1483 O VAL A 103 -8.439 10.027 -1.056 1.00 0.00 O ATOM 1484 CB VAL A 103 -7.236 10.057 1.639 1.00 0.00 C ATOM 1485 CG1 VAL A 103 -6.552 9.424 0.425 1.00 0.00 C ATOM 1486 CG2 VAL A 103 -6.314 11.069 2.320 1.00 0.00 C ATOM 0 H VAL A 103 -10.113 9.707 2.240 1.00 0.00 H new ATOM 0 HA VAL A 103 -8.356 11.761 1.074 1.00 0.00 H new ATOM 0 HB VAL A 103 -7.451 9.263 2.355 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -5.610 8.970 0.734 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -7.201 8.659 -0.000 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -6.357 10.192 -0.324 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -5.377 10.583 2.591 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -6.111 11.894 1.637 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -6.796 11.453 3.219 1.00 0.00 H new ATOM 1496 N SER A 104 -10.422 9.794 0.007 1.00 0.00 N ATOM 1497 CA SER A 104 -11.104 9.242 -1.151 1.00 0.00 C ATOM 1498 C SER A 104 -12.222 10.185 -1.600 1.00 0.00 C ATOM 1499 O SER A 104 -12.340 10.494 -2.785 1.00 0.00 O ATOM 1500 CB SER A 104 -11.670 7.853 -0.846 1.00 0.00 C ATOM 1501 OG SER A 104 -10.683 6.981 -0.305 1.00 0.00 O ATOM 0 H SER A 104 -11.003 9.887 0.840 1.00 0.00 H new ATOM 0 HA SER A 104 -10.379 9.140 -1.958 1.00 0.00 H new ATOM 0 HB2 SER A 104 -12.497 7.945 -0.142 1.00 0.00 H new ATOM 0 HB3 SER A 104 -12.076 7.418 -1.760 1.00 0.00 H new ATOM 0 HG SER A 104 -11.063 6.084 -0.197 1.00 0.00 H new ATOM 1506 N GLU A 105 -13.014 10.616 -0.629 1.00 0.00 N ATOM 1507 CA GLU A 105 -14.119 11.517 -0.910 1.00 0.00 C ATOM 1508 C GLU A 105 -13.854 12.295 -2.199 1.00 0.00 C ATOM 1509 O GLU A 105 -14.693 12.319 -3.098 1.00 0.00 O ATOM 1510 CB GLU A 105 -14.362 12.468 0.265 1.00 0.00 C ATOM 1511 CG GLU A 105 -15.699 13.196 0.113 1.00 0.00 C ATOM 1512 CD GLU A 105 -16.837 12.393 0.746 1.00 0.00 C ATOM 1513 OE1 GLU A 105 -16.642 11.941 1.895 1.00 0.00 O ATOM 1514 OE2 GLU A 105 -17.875 12.248 0.066 1.00 0.00 O ATOM 0 H GLU A 105 -12.913 10.358 0.353 1.00 0.00 H new ATOM 0 HA GLU A 105 -15.022 10.923 -1.047 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -14.353 11.907 1.199 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -13.552 13.195 0.322 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -15.638 14.178 0.582 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -15.909 13.360 -0.944 1.00 0.00 H new ATOM 1519 N GLU A 106 -12.683 12.915 -2.249 1.00 0.00 N ATOM 1520 CA GLU A 106 -12.299 13.693 -3.414 1.00 0.00 C ATOM 1521 C GLU A 106 -13.538 14.270 -4.101 1.00 0.00 C ATOM 1522 O GLU A 106 -13.587 14.358 -5.328 1.00 0.00 O ATOM 1523 CB GLU A 106 -11.474 12.849 -4.389 1.00 0.00 C ATOM 1524 CG GLU A 106 -10.332 13.669 -4.994 1.00 0.00 C ATOM 1525 CD GLU A 106 -10.862 14.670 -6.023 1.00 0.00 C ATOM 1526 OE1 GLU A 106 -11.298 14.202 -7.097 1.00 0.00 O ATOM 1527 OE2 GLU A 106 -10.819 15.880 -5.713 1.00 0.00 O ATOM 0 H GLU A 106 -11.989 12.894 -1.502 1.00 0.00 H new ATOM 0 HA GLU A 106 -11.674 14.522 -3.082 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -11.068 11.981 -3.870 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -12.117 12.473 -5.184 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -9.802 14.201 -4.203 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -9.612 13.002 -5.468 1.00 0.00 H new ATOM 1532 N GLY A 107 -14.508 14.648 -3.282 1.00 0.00 N ATOM 1533 CA GLY A 107 -15.744 15.214 -3.795 1.00 0.00 C ATOM 1534 C GLY A 107 -16.525 14.178 -4.608 1.00 0.00 C ATOM 1535 O GLY A 107 -17.695 13.922 -4.331 1.00 0.00 O ATOM 0 H GLY A 107 -14.463 14.573 -2.266 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -16.357 15.569 -2.967 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -15.521 16.079 -4.420 1.00 0.00 H new ATOM 1539 N GLU A 108 -15.845 13.611 -5.593 1.00 0.00 N ATOM 1540 CA GLU A 108 -16.460 12.610 -6.448 1.00 0.00 C ATOM 1541 C GLU A 108 -16.146 11.204 -5.929 1.00 0.00 C ATOM 1542 O GLU A 108 -16.836 10.244 -6.270 1.00 0.00 O ATOM 1543 CB GLU A 108 -16.005 12.772 -7.899 1.00 0.00 C ATOM 1544 CG GLU A 108 -16.713 13.953 -8.566 1.00 0.00 C ATOM 1545 CD GLU A 108 -15.794 14.646 -9.573 1.00 0.00 C ATOM 1546 OE1 GLU A 108 -15.739 14.157 -10.722 1.00 0.00 O ATOM 1547 OE2 GLU A 108 -15.167 15.650 -9.172 1.00 0.00 O ATOM 0 H GLU A 108 -14.874 13.826 -5.818 1.00 0.00 H new ATOM 0 HA GLU A 108 -17.540 12.754 -6.423 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -14.926 12.925 -7.931 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -16.214 11.857 -8.454 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -17.614 13.604 -9.071 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -17.030 14.667 -7.806 1.00 0.00 H new ATOM 1552 N LYS A 109 -15.105 11.128 -5.114 1.00 0.00 N ATOM 1553 CA LYS A 109 -14.692 9.856 -4.545 1.00 0.00 C ATOM 1554 C LYS A 109 -13.578 9.256 -5.405 1.00 0.00 C ATOM 1555 O LYS A 109 -12.442 9.123 -4.953 1.00 0.00 O ATOM 1556 CB LYS A 109 -15.897 8.932 -4.366 1.00 0.00 C ATOM 1557 CG LYS A 109 -15.645 7.910 -3.256 1.00 0.00 C ATOM 1558 CD LYS A 109 -16.152 6.525 -3.659 1.00 0.00 C ATOM 1559 CE LYS A 109 -17.269 6.055 -2.724 1.00 0.00 C ATOM 1560 NZ LYS A 109 -18.593 6.297 -3.337 1.00 0.00 N ATOM 0 H LYS A 109 -14.535 11.926 -4.834 1.00 0.00 H new ATOM 0 HA LYS A 109 -14.281 10.001 -3.546 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -16.781 9.523 -4.127 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -16.104 8.414 -5.302 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -14.578 7.861 -3.038 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -16.143 8.231 -2.341 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -16.520 6.553 -4.685 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -15.328 5.811 -3.635 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -17.149 4.993 -2.510 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -17.200 6.582 -1.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -19.340 5.973 -2.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -18.711 7.314 -3.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -18.661 5.775 -4.234 1.00 0.00 H new ATOM 1570 N GLU A 110 -13.943 8.908 -6.630 1.00 0.00 N ATOM 1571 CA GLU A 110 -12.990 8.325 -7.559 1.00 0.00 C ATOM 1572 C GLU A 110 -13.698 7.881 -8.840 1.00 0.00 C ATOM 1573 O GLU A 110 -13.318 8.289 -9.936 1.00 0.00 O ATOM 1574 CB GLU A 110 -12.241 7.157 -6.914 1.00 0.00 C ATOM 1575 CG GLU A 110 -10.753 7.475 -6.760 1.00 0.00 C ATOM 1576 CD GLU A 110 -9.913 6.197 -6.770 1.00 0.00 C ATOM 1577 OE1 GLU A 110 -10.461 5.162 -7.208 1.00 0.00 O ATOM 1578 OE2 GLU A 110 -8.743 6.282 -6.340 1.00 0.00 O ATOM 0 H GLU A 110 -14.887 9.019 -7.001 1.00 0.00 H new ATOM 0 HA GLU A 110 -12.255 9.087 -7.820 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -12.673 6.939 -5.937 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -12.364 6.262 -7.523 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -10.432 8.131 -7.569 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -10.588 8.015 -5.828 1.00 0.00 H new ATOM 1583 N LEU A 111 -14.716 7.052 -8.659 1.00 0.00 N ATOM 1584 CA LEU A 111 -15.481 6.550 -9.787 1.00 0.00 C ATOM 1585 C LEU A 111 -16.914 6.260 -9.336 1.00 0.00 C ATOM 1586 O LEU A 111 -17.129 5.560 -8.348 1.00 0.00 O ATOM 1587 CB LEU A 111 -14.779 5.345 -10.417 1.00 0.00 C ATOM 1588 CG LEU A 111 -14.734 5.319 -11.945 1.00 0.00 C ATOM 1589 CD1 LEU A 111 -16.138 5.449 -12.538 1.00 0.00 C ATOM 1590 CD2 LEU A 111 -13.783 6.389 -12.484 1.00 0.00 C ATOM 0 H LEU A 111 -15.028 6.716 -7.748 1.00 0.00 H new ATOM 0 HA LEU A 111 -15.539 7.303 -10.573 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -13.756 5.309 -10.043 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -15.277 4.439 -10.072 1.00 0.00 H new ATOM 0 HG LEU A 111 -14.341 4.352 -12.258 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -16.077 5.428 -13.626 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -16.757 4.621 -12.193 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -16.582 6.392 -12.218 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -13.770 6.349 -13.573 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -14.122 7.373 -12.161 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -12.778 6.209 -12.102 1.00 0.00 H new ATOM 1601 N VAL A 112 -17.859 6.814 -10.083 1.00 0.00 N ATOM 1602 CA VAL A 112 -19.265 6.624 -9.772 1.00 0.00 C ATOM 1603 C VAL A 112 -20.095 7.670 -10.520 1.00 0.00 C ATOM 1604 O VAL A 112 -21.050 7.329 -11.215 1.00 0.00 O ATOM 1605 CB VAL A 112 -19.477 6.664 -8.258 1.00 0.00 C ATOM 1606 CG1 VAL A 112 -20.706 7.502 -7.898 1.00 0.00 C ATOM 1607 CG2 VAL A 112 -19.591 5.251 -7.681 1.00 0.00 C ATOM 0 H VAL A 112 -17.678 7.394 -10.902 1.00 0.00 H new ATOM 0 HA VAL A 112 -19.600 5.643 -10.107 1.00 0.00 H new ATOM 0 HB VAL A 112 -18.604 7.139 -7.811 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -20.834 7.514 -6.816 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -20.570 8.522 -8.259 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -21.591 7.068 -8.363 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -19.741 5.309 -6.603 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -20.437 4.738 -8.138 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -18.676 4.698 -7.890 1.00 0.00 H new ATOM 1617 N PRO A 113 -19.688 8.956 -10.348 1.00 0.00 N ATOM 1618 CA PRO A 113 -20.381 10.054 -10.999 1.00 0.00 C ATOM 1619 C PRO A 113 -20.043 10.110 -12.490 1.00 0.00 C ATOM 1620 O PRO A 113 -18.887 9.944 -12.874 1.00 0.00 O ATOM 1621 CB PRO A 113 -19.944 11.298 -10.244 1.00 0.00 C ATOM 1622 CG PRO A 113 -18.673 10.913 -9.504 1.00 0.00 C ATOM 1623 CD PRO A 113 -18.559 9.397 -9.532 1.00 0.00 C ATOM 0 HA PRO A 113 -21.465 9.945 -10.967 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -19.761 12.126 -10.929 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -20.717 11.624 -9.548 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -17.803 11.370 -9.976 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -18.705 11.275 -8.476 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -17.610 9.079 -9.964 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -18.609 8.977 -8.527 1.00 0.00 H new ATOM 1628 N ARG A 114 -21.073 10.345 -13.289 1.00 0.00 N ATOM 1629 CA ARG A 114 -20.899 10.425 -14.730 1.00 0.00 C ATOM 1630 C ARG A 114 -20.474 11.838 -15.135 1.00 0.00 C ATOM 1631 O ARG A 114 -21.318 12.683 -15.431 1.00 0.00 O ATOM 1632 CB ARG A 114 -22.192 10.059 -15.462 1.00 0.00 C ATOM 1633 CG ARG A 114 -21.892 9.440 -16.828 1.00 0.00 C ATOM 1634 CD ARG A 114 -22.149 7.932 -16.815 1.00 0.00 C ATOM 1635 NE ARG A 114 -22.069 7.393 -18.191 1.00 0.00 N ATOM 1636 CZ ARG A 114 -22.264 6.106 -18.506 1.00 0.00 C ATOM 1637 NH1 ARG A 114 -22.551 5.216 -17.546 1.00 0.00 N ATOM 1638 NH2 ARG A 114 -22.172 5.707 -19.783 1.00 0.00 N ATOM 0 H ARG A 114 -22.031 10.483 -12.967 1.00 0.00 H new ATOM 0 HA ARG A 114 -20.122 9.714 -15.011 1.00 0.00 H new ATOM 0 HB2 ARG A 114 -22.769 9.357 -14.860 1.00 0.00 H new ATOM 0 HB3 ARG A 114 -22.807 10.950 -15.590 1.00 0.00 H new ATOM 0 HG2 ARG A 114 -22.513 9.912 -17.589 1.00 0.00 H new ATOM 0 HG3 ARG A 114 -20.854 9.633 -17.099 1.00 0.00 H new ATOM 0 HD2 ARG A 114 -21.417 7.436 -16.178 1.00 0.00 H new ATOM 0 HD3 ARG A 114 -23.132 7.726 -16.391 1.00 0.00 H new ATOM 0 HE ARG A 114 -21.852 8.042 -18.947 1.00 0.00 H new ATOM 0 HH11 ARG A 114 -22.621 5.519 -16.574 1.00 0.00 H new ATOM 0 HH12 ARG A 114 -22.699 4.236 -17.787 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -21.954 6.384 -20.514 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -22.320 4.727 -20.023 1.00 0.00 H new TER 1649 ARG A 114