USER MOD reduce.3.24.130724 H: found=0, std=0, add=908, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 921 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 70 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 73 HIS : no HD1:sc= -0.0284 X(o=-0.028,f=0.049) USER MOD Set 2.1: A 12 ASN : amide:sc= 0.304 K(o=1.8,f=-2.4!) USER MOD Set 2.2: A 27 TYR OH : rot 160:sc= 0.0848 USER MOD Set 2.3: A 46 MET CE :methyl -169:sc=-0.00365 (180deg=-0.0571) USER MOD Set 2.4: A 50 LYS NZ :NH3+ -170:sc= 1.37 (180deg=1.26) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 143:sc= 0.041 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 GLN : amide:sc= -0.159 X(o=-0.16,f=-0.58) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc= -0.17 X(o=-0.17,f=-0.084) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 26 CYS SG : rot 77:sc= 0.623 USER MOD Single : A 29 GLN : amide:sc= 0.609 K(o=0.61,f=-0.16) USER MOD Single : A 32 THR OG1 : rot 67:sc= 1.25 USER MOD Single : A 34 GLN : amide:sc= 0.366 K(o=0.37,f=-0.95) USER MOD Single : A 36 GLN : amide:sc= -0.0852 X(o=-0.085,f=-0.085) USER MOD Single : A 37 ASN : amide:sc= -1.05 X(o=-1.1,f=-0.76) USER MOD Single : A 41 TYR OH : rot -174:sc= 1.2 USER MOD Single : A 42 SER OG : rot -78:sc= 1.26 USER MOD Single : A 43 ASN : amide:sc= 0.972 K(o=0.97,f=-0.52!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.00963 USER MOD Single : A 56 GLN : amide:sc= -0.0436 X(o=-0.044,f=-0.037) USER MOD Single : A 59 GLN : amide:sc= -0.697 K(o=-0.7,f=-1.9) USER MOD Single : A 60 MET CE :methyl -118:sc= 0 (180deg=-0.379) USER MOD Single : A 61 CYS SG : rot 75:sc= 0.377 USER MOD Single : A 62 GLN : amide:sc= 0.363 X(o=0.36,f=0) USER MOD Single : A 63 GLN :FLIP amide:sc= 0.0205 F(o=-0.95,f=0.02) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot -68:sc= 1.98 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 178:sc= 0.428 (180deg=0.4) USER MOD Single : A 81 GLN : amide:sc= 0.456 X(o=0.46,f=0) USER MOD Single : A 82 TYR OH : rot -5:sc= 1.47 USER MOD Single : A 88 GLN : amide:sc= 0.75 K(o=0.75,f=0) USER MOD Single : A 93 SER OG : rot 45:sc= 0.321 USER MOD Single : A 95 GLN : amide:sc= 0.00418 K(o=0.0042,f=-10!) USER MOD Single : A 108 TYR OH : rot 165:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : B -4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B -4 MET N :NH3+ 176:sc= 2.01 (180deg=1.82) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.961 13.761 -13.695 1.00 0.00 N ATOM 2 CA MET A 1 15.366 13.456 -13.356 1.00 0.00 C ATOM 3 C MET A 1 15.428 12.205 -12.482 1.00 0.00 C ATOM 4 O MET A 1 14.528 11.957 -11.681 1.00 0.00 O ATOM 5 CB MET A 1 16.101 14.666 -12.764 1.00 0.00 C ATOM 6 CG MET A 1 16.448 15.694 -13.847 1.00 0.00 C ATOM 7 SD MET A 1 17.296 14.982 -15.289 1.00 0.00 S ATOM 8 CE MET A 1 17.363 16.413 -16.395 1.00 0.00 C ATOM 0 H1 MET A 1 13.822 14.792 -13.703 1.00 0.00 H new ATOM 0 H2 MET A 1 13.739 13.374 -14.635 1.00 0.00 H new ATOM 0 H3 MET A 1 13.332 13.332 -12.987 1.00 0.00 H new ATOM 0 HA MET A 1 15.910 13.234 -14.274 1.00 0.00 H new ATOM 0 HB2 MET A 1 15.479 15.134 -12.002 1.00 0.00 H new ATOM 0 HB3 MET A 1 17.014 14.333 -12.270 1.00 0.00 H new ATOM 0 HG2 MET A 1 15.531 16.181 -14.180 1.00 0.00 H new ATOM 0 HG3 MET A 1 17.080 16.468 -13.411 1.00 0.00 H new ATOM 0 HE1 MET A 1 17.857 16.131 -17.325 1.00 0.00 H new ATOM 0 HE2 MET A 1 16.350 16.754 -16.611 1.00 0.00 H new ATOM 0 HE3 MET A 1 17.922 17.217 -15.916 1.00 0.00 H new ATOM 19 N SER A 2 16.437 11.353 -12.690 1.00 0.00 N ATOM 20 CA SER A 2 16.352 9.927 -12.332 1.00 0.00 C ATOM 21 C SER A 2 16.408 9.610 -10.829 1.00 0.00 C ATOM 22 O SER A 2 15.806 8.631 -10.393 1.00 0.00 O ATOM 23 CB SER A 2 17.427 9.121 -13.070 1.00 0.00 C ATOM 24 OG SER A 2 17.328 9.306 -14.473 1.00 0.00 O ATOM 0 H SER A 2 17.328 11.625 -13.106 1.00 0.00 H new ATOM 0 HA SER A 2 15.353 9.630 -12.650 1.00 0.00 H new ATOM 0 HB2 SER A 2 18.415 9.428 -12.728 1.00 0.00 H new ATOM 0 HB3 SER A 2 17.321 8.063 -12.831 1.00 0.00 H new ATOM 0 HG SER A 2 18.025 8.783 -14.922 1.00 0.00 H new ATOM 30 N GLN A 3 17.079 10.417 -10.002 1.00 0.00 N ATOM 31 CA GLN A 3 17.227 10.132 -8.566 1.00 0.00 C ATOM 32 C GLN A 3 15.917 10.301 -7.778 1.00 0.00 C ATOM 33 O GLN A 3 15.734 9.613 -6.775 1.00 0.00 O ATOM 34 CB GLN A 3 18.367 10.962 -7.953 1.00 0.00 C ATOM 35 CG GLN A 3 19.743 10.555 -8.512 1.00 0.00 C ATOM 36 CD GLN A 3 20.920 11.205 -7.789 1.00 0.00 C ATOM 37 OE1 GLN A 3 20.813 11.777 -6.707 1.00 0.00 O ATOM 38 NE2 GLN A 3 22.103 11.132 -8.353 1.00 0.00 N ATOM 0 H GLN A 3 17.533 11.280 -10.302 1.00 0.00 H new ATOM 0 HA GLN A 3 17.491 9.077 -8.485 1.00 0.00 H new ATOM 0 HB2 GLN A 3 18.193 12.019 -8.152 1.00 0.00 H new ATOM 0 HB3 GLN A 3 18.364 10.837 -6.870 1.00 0.00 H new ATOM 0 HG2 GLN A 3 19.844 9.472 -8.449 1.00 0.00 H new ATOM 0 HG3 GLN A 3 19.788 10.819 -9.569 1.00 0.00 H new ATOM 0 HE21 GLN A 3 22.212 10.661 -9.251 1.00 0.00 H new ATOM 0 HE22 GLN A 3 22.914 11.546 -7.893 1.00 0.00 H new ATOM 47 N PHE A 4 14.979 11.125 -8.260 1.00 0.00 N ATOM 48 CA PHE A 4 13.609 11.233 -7.729 1.00 0.00 C ATOM 49 C PHE A 4 12.782 9.953 -7.975 1.00 0.00 C ATOM 50 O PHE A 4 12.009 9.528 -7.115 1.00 0.00 O ATOM 51 CB PHE A 4 12.966 12.504 -8.324 1.00 0.00 C ATOM 52 CG PHE A 4 11.491 12.440 -8.685 1.00 0.00 C ATOM 53 CD1 PHE A 4 11.097 11.961 -9.949 1.00 0.00 C ATOM 54 CD2 PHE A 4 10.517 12.928 -7.793 1.00 0.00 C ATOM 55 CE1 PHE A 4 9.740 11.957 -10.315 1.00 0.00 C ATOM 56 CE2 PHE A 4 9.157 12.930 -8.161 1.00 0.00 C ATOM 57 CZ PHE A 4 8.771 12.446 -9.422 1.00 0.00 C ATOM 0 H PHE A 4 15.152 11.750 -9.047 1.00 0.00 H new ATOM 0 HA PHE A 4 13.636 11.328 -6.643 1.00 0.00 H new ATOM 0 HB2 PHE A 4 13.103 13.316 -7.610 1.00 0.00 H new ATOM 0 HB3 PHE A 4 13.521 12.773 -9.223 1.00 0.00 H new ATOM 0 HD1 PHE A 4 11.841 11.595 -10.641 1.00 0.00 H new ATOM 0 HD2 PHE A 4 10.813 13.302 -6.824 1.00 0.00 H new ATOM 0 HE1 PHE A 4 9.442 11.578 -11.282 1.00 0.00 H new ATOM 0 HE2 PHE A 4 8.412 13.303 -7.474 1.00 0.00 H new ATOM 0 HZ PHE A 4 7.729 12.450 -9.706 1.00 0.00 H new ATOM 67 N GLU A 5 12.990 9.273 -9.108 1.00 0.00 N ATOM 68 CA GLU A 5 12.284 8.027 -9.450 1.00 0.00 C ATOM 69 C GLU A 5 12.994 6.749 -8.972 1.00 0.00 C ATOM 70 O GLU A 5 12.345 5.704 -8.855 1.00 0.00 O ATOM 71 CB GLU A 5 11.839 8.048 -10.925 1.00 0.00 C ATOM 72 CG GLU A 5 12.909 8.260 -12.008 1.00 0.00 C ATOM 73 CD GLU A 5 13.686 7.008 -12.452 1.00 0.00 C ATOM 74 OE1 GLU A 5 13.807 6.015 -11.703 1.00 0.00 O ATOM 75 OE2 GLU A 5 14.165 6.991 -13.611 1.00 0.00 O ATOM 0 H GLU A 5 13.657 9.571 -9.820 1.00 0.00 H new ATOM 0 HA GLU A 5 11.365 7.986 -8.866 1.00 0.00 H new ATOM 0 HB2 GLU A 5 11.338 7.103 -11.134 1.00 0.00 H new ATOM 0 HB3 GLU A 5 11.094 8.836 -11.036 1.00 0.00 H new ATOM 0 HG2 GLU A 5 12.427 8.693 -12.885 1.00 0.00 H new ATOM 0 HG3 GLU A 5 13.625 8.996 -11.642 1.00 0.00 H new ATOM 83 N LYS A 6 14.273 6.841 -8.578 1.00 0.00 N ATOM 84 CA LYS A 6 14.989 5.809 -7.802 1.00 0.00 C ATOM 85 C LYS A 6 14.697 5.899 -6.290 1.00 0.00 C ATOM 86 O LYS A 6 14.677 4.881 -5.600 1.00 0.00 O ATOM 87 CB LYS A 6 16.482 5.798 -8.216 1.00 0.00 C ATOM 88 CG LYS A 6 17.524 6.388 -7.245 1.00 0.00 C ATOM 89 CD LYS A 6 18.100 5.323 -6.299 1.00 0.00 C ATOM 90 CE LYS A 6 19.211 5.901 -5.415 1.00 0.00 C ATOM 91 NZ LYS A 6 19.844 4.842 -4.594 1.00 0.00 N ATOM 0 H LYS A 6 14.854 7.651 -8.793 1.00 0.00 H new ATOM 0 HA LYS A 6 14.607 4.819 -8.049 1.00 0.00 H new ATOM 0 HB2 LYS A 6 16.763 4.763 -8.413 1.00 0.00 H new ATOM 0 HB3 LYS A 6 16.567 6.337 -9.160 1.00 0.00 H new ATOM 0 HG2 LYS A 6 18.334 6.842 -7.815 1.00 0.00 H new ATOM 0 HG3 LYS A 6 17.063 7.183 -6.658 1.00 0.00 H new ATOM 0 HD2 LYS A 6 17.304 4.924 -5.671 1.00 0.00 H new ATOM 0 HD3 LYS A 6 18.493 4.491 -6.882 1.00 0.00 H new ATOM 0 HE2 LYS A 6 19.965 6.381 -6.040 1.00 0.00 H new ATOM 0 HE3 LYS A 6 18.798 6.672 -4.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 20.592 5.260 -4.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 19.127 4.402 -3.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 20.257 4.120 -5.218 1.00 0.00 H new ATOM 105 N GLN A 7 14.378 7.095 -5.783 1.00 0.00 N ATOM 106 CA GLN A 7 14.022 7.347 -4.379 1.00 0.00 C ATOM 107 C GLN A 7 12.741 6.613 -3.940 1.00 0.00 C ATOM 108 O GLN A 7 12.742 5.928 -2.919 1.00 0.00 O ATOM 109 CB GLN A 7 13.864 8.867 -4.195 1.00 0.00 C ATOM 110 CG GLN A 7 13.521 9.302 -2.766 1.00 0.00 C ATOM 111 CD GLN A 7 14.772 9.422 -1.908 1.00 0.00 C ATOM 112 OE1 GLN A 7 15.401 8.451 -1.513 1.00 0.00 O ATOM 113 NE2 GLN A 7 15.224 10.625 -1.668 1.00 0.00 N ATOM 0 H GLN A 7 14.359 7.940 -6.354 1.00 0.00 H new ATOM 0 HA GLN A 7 14.818 6.956 -3.746 1.00 0.00 H new ATOM 0 HB2 GLN A 7 14.791 9.355 -4.497 1.00 0.00 H new ATOM 0 HB3 GLN A 7 13.083 9.222 -4.867 1.00 0.00 H new ATOM 0 HG2 GLN A 7 13.001 10.260 -2.790 1.00 0.00 H new ATOM 0 HG3 GLN A 7 12.838 8.580 -2.318 1.00 0.00 H new ATOM 0 HE21 GLN A 7 14.704 11.440 -1.995 1.00 0.00 H new ATOM 0 HE22 GLN A 7 16.096 10.749 -1.154 1.00 0.00 H new ATOM 122 N LYS A 8 11.645 6.740 -4.702 1.00 0.00 N ATOM 123 CA LYS A 8 10.339 6.115 -4.383 1.00 0.00 C ATOM 124 C LYS A 8 10.386 4.583 -4.282 1.00 0.00 C ATOM 125 O LYS A 8 9.660 4.000 -3.477 1.00 0.00 O ATOM 126 CB LYS A 8 9.249 6.581 -5.368 1.00 0.00 C ATOM 127 CG LYS A 8 9.665 6.472 -6.840 1.00 0.00 C ATOM 128 CD LYS A 8 8.534 6.756 -7.843 1.00 0.00 C ATOM 129 CE LYS A 8 7.904 8.152 -7.699 1.00 0.00 C ATOM 130 NZ LYS A 8 7.187 8.537 -8.938 1.00 0.00 N ATOM 0 H LYS A 8 11.633 7.283 -5.566 1.00 0.00 H new ATOM 0 HA LYS A 8 10.080 6.462 -3.383 1.00 0.00 H new ATOM 0 HB2 LYS A 8 8.349 5.987 -5.208 1.00 0.00 H new ATOM 0 HB3 LYS A 8 8.991 7.617 -5.148 1.00 0.00 H new ATOM 0 HG2 LYS A 8 10.483 7.168 -7.026 1.00 0.00 H new ATOM 0 HG3 LYS A 8 10.052 5.470 -7.022 1.00 0.00 H new ATOM 0 HD2 LYS A 8 8.924 6.648 -8.855 1.00 0.00 H new ATOM 0 HD3 LYS A 8 7.756 6.003 -7.719 1.00 0.00 H new ATOM 0 HE2 LYS A 8 7.212 8.159 -6.856 1.00 0.00 H new ATOM 0 HE3 LYS A 8 8.680 8.885 -7.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 6.770 9.482 -8.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 7.855 8.552 -9.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 6.433 7.848 -9.131 1.00 0.00 H new ATOM 144 N GLU A 9 11.273 3.926 -5.030 1.00 0.00 N ATOM 145 CA GLU A 9 11.512 2.484 -4.863 1.00 0.00 C ATOM 146 C GLU A 9 12.230 2.197 -3.534 1.00 0.00 C ATOM 147 O GLU A 9 11.770 1.376 -2.735 1.00 0.00 O ATOM 148 CB GLU A 9 12.313 1.870 -6.023 1.00 0.00 C ATOM 149 CG GLU A 9 12.479 2.715 -7.288 1.00 0.00 C ATOM 150 CD GLU A 9 13.249 1.909 -8.332 1.00 0.00 C ATOM 151 OE1 GLU A 9 14.398 1.486 -8.049 1.00 0.00 O ATOM 152 OE2 GLU A 9 12.716 1.704 -9.445 1.00 0.00 O ATOM 0 H GLU A 9 11.839 4.364 -5.757 1.00 0.00 H new ATOM 0 HA GLU A 9 10.528 2.014 -4.859 1.00 0.00 H new ATOM 0 HB2 GLU A 9 13.307 1.621 -5.651 1.00 0.00 H new ATOM 0 HB3 GLU A 9 11.834 0.932 -6.305 1.00 0.00 H new ATOM 0 HG2 GLU A 9 11.503 3.001 -7.679 1.00 0.00 H new ATOM 0 HG3 GLU A 9 13.012 3.637 -7.057 1.00 0.00 H new ATOM 160 N GLN A 10 13.323 2.925 -3.260 1.00 0.00 N ATOM 161 CA GLN A 10 14.112 2.780 -2.033 1.00 0.00 C ATOM 162 C GLN A 10 13.256 3.032 -0.776 1.00 0.00 C ATOM 163 O GLN A 10 13.376 2.307 0.210 1.00 0.00 O ATOM 164 CB GLN A 10 15.317 3.741 -2.091 1.00 0.00 C ATOM 165 CG GLN A 10 16.427 3.315 -1.116 1.00 0.00 C ATOM 166 CD GLN A 10 17.398 4.435 -0.751 1.00 0.00 C ATOM 167 OE1 GLN A 10 17.484 5.491 -1.370 1.00 0.00 O ATOM 168 NE2 GLN A 10 18.179 4.251 0.287 1.00 0.00 N ATOM 0 H GLN A 10 13.686 3.638 -3.893 1.00 0.00 H new ATOM 0 HA GLN A 10 14.474 1.754 -1.964 1.00 0.00 H new ATOM 0 HB2 GLN A 10 15.714 3.768 -3.106 1.00 0.00 H new ATOM 0 HB3 GLN A 10 14.989 4.752 -1.851 1.00 0.00 H new ATOM 0 HG2 GLN A 10 15.968 2.934 -0.203 1.00 0.00 H new ATOM 0 HG3 GLN A 10 16.988 2.492 -1.558 1.00 0.00 H new ATOM 0 HE21 GLN A 10 18.126 3.381 0.817 1.00 0.00 H new ATOM 0 HE22 GLN A 10 18.839 4.978 0.564 1.00 0.00 H new ATOM 177 N GLY A 11 12.322 3.988 -0.833 1.00 0.00 N ATOM 178 CA GLY A 11 11.349 4.274 0.226 1.00 0.00 C ATOM 179 C GLY A 11 10.370 3.132 0.540 1.00 0.00 C ATOM 180 O GLY A 11 9.745 3.152 1.596 1.00 0.00 O ATOM 0 H GLY A 11 12.220 4.602 -1.641 1.00 0.00 H new ATOM 0 HA2 GLY A 11 11.891 4.527 1.137 1.00 0.00 H new ATOM 0 HA3 GLY A 11 10.775 5.156 -0.059 1.00 0.00 H new ATOM 184 N ASN A 12 10.244 2.115 -0.318 1.00 0.00 N ATOM 185 CA ASN A 12 9.536 0.864 -0.007 1.00 0.00 C ATOM 186 C ASN A 12 10.515 -0.205 0.489 1.00 0.00 C ATOM 187 O ASN A 12 10.280 -0.807 1.537 1.00 0.00 O ATOM 188 CB ASN A 12 8.729 0.421 -1.235 1.00 0.00 C ATOM 189 CG ASN A 12 7.527 1.320 -1.437 1.00 0.00 C ATOM 190 OD1 ASN A 12 6.524 1.195 -0.753 1.00 0.00 O ATOM 191 ND2 ASN A 12 7.598 2.294 -2.315 1.00 0.00 N ATOM 0 H ASN A 12 10.635 2.135 -1.260 1.00 0.00 H new ATOM 0 HA ASN A 12 8.831 1.025 0.809 1.00 0.00 H new ATOM 0 HB2 ASN A 12 9.362 0.447 -2.122 1.00 0.00 H new ATOM 0 HB3 ASN A 12 8.401 -0.611 -1.108 1.00 0.00 H new ATOM 0 HD21 ASN A 12 6.817 2.941 -2.423 1.00 0.00 H new ATOM 0 HD22 ASN A 12 8.434 2.403 -2.889 1.00 0.00 H new ATOM 198 N SER A 13 11.655 -0.375 -0.190 1.00 0.00 N ATOM 199 CA SER A 13 12.711 -1.310 0.216 1.00 0.00 C ATOM 200 C SER A 13 13.167 -1.097 1.664 1.00 0.00 C ATOM 201 O SER A 13 13.262 -2.063 2.414 1.00 0.00 O ATOM 202 CB SER A 13 13.913 -1.164 -0.718 1.00 0.00 C ATOM 203 OG SER A 13 13.538 -1.501 -2.040 1.00 0.00 O ATOM 0 H SER A 13 11.873 0.137 -1.045 1.00 0.00 H new ATOM 0 HA SER A 13 12.292 -2.314 0.150 1.00 0.00 H new ATOM 0 HB2 SER A 13 14.287 -0.141 -0.686 1.00 0.00 H new ATOM 0 HB3 SER A 13 14.725 -1.811 -0.385 1.00 0.00 H new ATOM 0 HG SER A 13 14.311 -1.404 -2.634 1.00 0.00 H new ATOM 209 N LEU A 14 13.384 0.148 2.098 1.00 0.00 N ATOM 210 CA LEU A 14 13.801 0.486 3.466 1.00 0.00 C ATOM 211 C LEU A 14 12.803 -0.001 4.532 1.00 0.00 C ATOM 212 O LEU A 14 13.226 -0.525 5.566 1.00 0.00 O ATOM 213 CB LEU A 14 13.995 2.012 3.549 1.00 0.00 C ATOM 214 CG LEU A 14 15.276 2.542 2.879 1.00 0.00 C ATOM 215 CD1 LEU A 14 15.185 4.059 2.726 1.00 0.00 C ATOM 216 CD2 LEU A 14 16.522 2.233 3.704 1.00 0.00 C ATOM 0 H LEU A 14 13.273 0.966 1.499 1.00 0.00 H new ATOM 0 HA LEU A 14 14.737 -0.030 3.680 1.00 0.00 H new ATOM 0 HB2 LEU A 14 13.135 2.498 3.089 1.00 0.00 H new ATOM 0 HB3 LEU A 14 14.004 2.306 4.599 1.00 0.00 H new ATOM 0 HG LEU A 14 15.359 2.048 1.911 1.00 0.00 H new ATOM 0 HD11 LEU A 14 16.093 4.432 2.252 1.00 0.00 H new ATOM 0 HD12 LEU A 14 14.323 4.311 2.109 1.00 0.00 H new ATOM 0 HD13 LEU A 14 15.074 4.518 3.709 1.00 0.00 H new ATOM 0 HD21 LEU A 14 17.402 2.625 3.194 1.00 0.00 H new ATOM 0 HD22 LEU A 14 16.433 2.699 4.685 1.00 0.00 H new ATOM 0 HD23 LEU A 14 16.622 1.154 3.823 1.00 0.00 H new ATOM 228 N PHE A 15 11.491 0.068 4.274 1.00 0.00 N ATOM 229 CA PHE A 15 10.480 -0.502 5.177 1.00 0.00 C ATOM 230 C PHE A 15 10.639 -2.017 5.335 1.00 0.00 C ATOM 231 O PHE A 15 10.524 -2.529 6.446 1.00 0.00 O ATOM 232 CB PHE A 15 9.058 -0.154 4.707 1.00 0.00 C ATOM 233 CG PHE A 15 8.515 1.103 5.351 1.00 0.00 C ATOM 234 CD1 PHE A 15 7.910 1.026 6.616 1.00 0.00 C ATOM 235 CD2 PHE A 15 8.621 2.347 4.711 1.00 0.00 C ATOM 236 CE1 PHE A 15 7.452 2.190 7.249 1.00 0.00 C ATOM 237 CE2 PHE A 15 8.143 3.513 5.335 1.00 0.00 C ATOM 238 CZ PHE A 15 7.565 3.437 6.614 1.00 0.00 C ATOM 0 H PHE A 15 11.102 0.515 3.444 1.00 0.00 H new ATOM 0 HA PHE A 15 10.640 -0.052 6.157 1.00 0.00 H new ATOM 0 HB2 PHE A 15 9.059 -0.030 3.624 1.00 0.00 H new ATOM 0 HB3 PHE A 15 8.393 -0.988 4.932 1.00 0.00 H new ATOM 0 HD1 PHE A 15 7.797 0.068 7.102 1.00 0.00 H new ATOM 0 HD2 PHE A 15 9.073 2.410 3.732 1.00 0.00 H new ATOM 0 HE1 PHE A 15 7.009 2.127 8.232 1.00 0.00 H new ATOM 0 HE2 PHE A 15 8.220 4.466 4.832 1.00 0.00 H new ATOM 0 HZ PHE A 15 7.210 4.331 7.105 1.00 0.00 H new ATOM 248 N LYS A 16 10.985 -2.734 4.261 1.00 0.00 N ATOM 249 CA LYS A 16 11.217 -4.191 4.282 1.00 0.00 C ATOM 250 C LYS A 16 12.507 -4.617 5.009 1.00 0.00 C ATOM 251 O LYS A 16 12.665 -5.801 5.324 1.00 0.00 O ATOM 252 CB LYS A 16 11.152 -4.746 2.848 1.00 0.00 C ATOM 253 CG LYS A 16 9.890 -4.379 2.068 1.00 0.00 C ATOM 254 CD LYS A 16 8.618 -4.959 2.679 1.00 0.00 C ATOM 255 CE LYS A 16 7.767 -3.922 3.431 1.00 0.00 C ATOM 256 NZ LYS A 16 6.546 -4.539 3.985 1.00 0.00 N ATOM 0 H LYS A 16 11.115 -2.318 3.339 1.00 0.00 H new ATOM 0 HA LYS A 16 10.417 -4.631 4.877 1.00 0.00 H new ATOM 0 HB2 LYS A 16 12.020 -4.385 2.296 1.00 0.00 H new ATOM 0 HB3 LYS A 16 11.231 -5.832 2.891 1.00 0.00 H new ATOM 0 HG2 LYS A 16 9.801 -3.294 2.022 1.00 0.00 H new ATOM 0 HG3 LYS A 16 9.988 -4.735 1.042 1.00 0.00 H new ATOM 0 HD2 LYS A 16 8.016 -5.406 1.888 1.00 0.00 H new ATOM 0 HD3 LYS A 16 8.888 -5.761 3.365 1.00 0.00 H new ATOM 0 HE2 LYS A 16 8.353 -3.481 4.237 1.00 0.00 H new ATOM 0 HE3 LYS A 16 7.494 -3.111 2.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 5.990 -3.818 4.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 5.977 -4.938 3.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 6.810 -5.296 4.647 1.00 0.00 H new ATOM 270 N GLN A 17 13.382 -3.666 5.355 1.00 0.00 N ATOM 271 CA GLN A 17 14.500 -3.847 6.305 1.00 0.00 C ATOM 272 C GLN A 17 14.232 -3.254 7.706 1.00 0.00 C ATOM 273 O GLN A 17 15.083 -3.372 8.593 1.00 0.00 O ATOM 274 CB GLN A 17 15.820 -3.299 5.729 1.00 0.00 C ATOM 275 CG GLN A 17 16.420 -4.159 4.602 1.00 0.00 C ATOM 276 CD GLN A 17 15.745 -3.928 3.263 1.00 0.00 C ATOM 277 OE1 GLN A 17 14.964 -4.741 2.777 1.00 0.00 O ATOM 278 NE2 GLN A 17 16.015 -2.813 2.636 1.00 0.00 N ATOM 0 H GLN A 17 13.336 -2.721 4.975 1.00 0.00 H new ATOM 0 HA GLN A 17 14.591 -4.924 6.442 1.00 0.00 H new ATOM 0 HB2 GLN A 17 15.648 -2.292 5.350 1.00 0.00 H new ATOM 0 HB3 GLN A 17 16.549 -3.216 6.535 1.00 0.00 H new ATOM 0 HG2 GLN A 17 17.484 -3.939 4.510 1.00 0.00 H new ATOM 0 HG3 GLN A 17 16.334 -5.212 4.870 1.00 0.00 H new ATOM 0 HE21 GLN A 17 16.665 -2.142 3.046 1.00 0.00 H new ATOM 0 HE22 GLN A 17 15.576 -2.614 1.737 1.00 0.00 H new ATOM 287 N GLY A 18 13.070 -2.635 7.941 1.00 0.00 N ATOM 288 CA GLY A 18 12.719 -2.018 9.228 1.00 0.00 C ATOM 289 C GLY A 18 13.199 -0.570 9.406 1.00 0.00 C ATOM 290 O GLY A 18 13.015 0.019 10.471 1.00 0.00 O ATOM 0 H GLY A 18 12.338 -2.547 7.236 1.00 0.00 H new ATOM 0 HA2 GLY A 18 11.635 -2.042 9.342 1.00 0.00 H new ATOM 0 HA3 GLY A 18 13.137 -2.625 10.031 1.00 0.00 H new ATOM 294 N LEU A 19 13.782 0.031 8.364 1.00 0.00 N ATOM 295 CA LEU A 19 14.339 1.388 8.359 1.00 0.00 C ATOM 296 C LEU A 19 13.241 2.432 8.098 1.00 0.00 C ATOM 297 O LEU A 19 13.325 3.248 7.182 1.00 0.00 O ATOM 298 CB LEU A 19 15.518 1.451 7.369 1.00 0.00 C ATOM 299 CG LEU A 19 16.738 0.604 7.781 1.00 0.00 C ATOM 300 CD1 LEU A 19 17.762 0.598 6.649 1.00 0.00 C ATOM 301 CD2 LEU A 19 17.419 1.163 9.029 1.00 0.00 C ATOM 0 H LEU A 19 13.883 -0.435 7.462 1.00 0.00 H new ATOM 0 HA LEU A 19 14.738 1.637 9.342 1.00 0.00 H new ATOM 0 HB2 LEU A 19 15.173 1.118 6.390 1.00 0.00 H new ATOM 0 HB3 LEU A 19 15.831 2.489 7.261 1.00 0.00 H new ATOM 0 HG LEU A 19 16.379 -0.403 7.993 1.00 0.00 H new ATOM 0 HD11 LEU A 19 18.624 -0.001 6.942 1.00 0.00 H new ATOM 0 HD12 LEU A 19 17.311 0.172 5.753 1.00 0.00 H new ATOM 0 HD13 LEU A 19 18.083 1.619 6.443 1.00 0.00 H new ATOM 0 HD21 LEU A 19 18.274 0.539 9.287 1.00 0.00 H new ATOM 0 HD22 LEU A 19 17.758 2.180 8.834 1.00 0.00 H new ATOM 0 HD23 LEU A 19 16.711 1.170 9.858 1.00 0.00 H new ATOM 313 N TYR A 20 12.173 2.364 8.895 1.00 0.00 N ATOM 314 CA TYR A 20 10.970 3.193 8.760 1.00 0.00 C ATOM 315 C TYR A 20 11.299 4.695 8.809 1.00 0.00 C ATOM 316 O TYR A 20 10.746 5.468 8.026 1.00 0.00 O ATOM 317 CB TYR A 20 9.963 2.872 9.885 1.00 0.00 C ATOM 318 CG TYR A 20 9.423 1.456 10.059 1.00 0.00 C ATOM 319 CD1 TYR A 20 9.725 0.397 9.174 1.00 0.00 C ATOM 320 CD2 TYR A 20 8.541 1.222 11.133 1.00 0.00 C ATOM 321 CE1 TYR A 20 9.137 -0.872 9.358 1.00 0.00 C ATOM 322 CE2 TYR A 20 7.934 -0.036 11.305 1.00 0.00 C ATOM 323 CZ TYR A 20 8.227 -1.086 10.414 1.00 0.00 C ATOM 324 OH TYR A 20 7.614 -2.291 10.554 1.00 0.00 O ATOM 0 H TYR A 20 12.118 1.711 9.677 1.00 0.00 H new ATOM 0 HA TYR A 20 10.535 2.961 7.788 1.00 0.00 H new ATOM 0 HB2 TYR A 20 10.432 3.156 10.827 1.00 0.00 H new ATOM 0 HB3 TYR A 20 9.104 3.529 9.746 1.00 0.00 H new ATOM 0 HD1 TYR A 20 10.408 0.560 8.354 1.00 0.00 H new ATOM 0 HD2 TYR A 20 8.328 2.017 11.832 1.00 0.00 H new ATOM 0 HE1 TYR A 20 9.384 -1.682 8.688 1.00 0.00 H new ATOM 0 HE2 TYR A 20 7.244 -0.196 12.120 1.00 0.00 H new ATOM 0 HH TYR A 20 7.020 -2.267 11.333 1.00 0.00 H new ATOM 334 N ARG A 21 12.218 5.120 9.690 1.00 0.00 N ATOM 335 CA ARG A 21 12.583 6.539 9.846 1.00 0.00 C ATOM 336 C ARG A 21 13.422 7.040 8.663 1.00 0.00 C ATOM 337 O ARG A 21 13.172 8.149 8.187 1.00 0.00 O ATOM 338 CB ARG A 21 13.286 6.806 11.194 1.00 0.00 C ATOM 339 CG ARG A 21 12.403 6.758 12.453 1.00 0.00 C ATOM 340 CD ARG A 21 12.024 5.341 12.890 1.00 0.00 C ATOM 341 NE ARG A 21 11.427 5.331 14.239 1.00 0.00 N ATOM 342 CZ ARG A 21 11.067 4.255 14.918 1.00 0.00 C ATOM 343 NH1 ARG A 21 11.158 3.051 14.419 1.00 0.00 N ATOM 344 NH2 ARG A 21 10.603 4.361 16.131 1.00 0.00 N ATOM 0 H ARG A 21 12.728 4.493 10.313 1.00 0.00 H new ATOM 0 HA ARG A 21 11.654 7.110 9.850 1.00 0.00 H new ATOM 0 HB2 ARG A 21 14.086 6.076 11.311 1.00 0.00 H new ATOM 0 HB3 ARG A 21 13.756 7.788 11.145 1.00 0.00 H new ATOM 0 HG2 ARG A 21 12.927 7.252 13.271 1.00 0.00 H new ATOM 0 HG3 ARG A 21 11.492 7.327 12.268 1.00 0.00 H new ATOM 0 HD2 ARG A 21 11.319 4.916 12.176 1.00 0.00 H new ATOM 0 HD3 ARG A 21 12.910 4.707 12.879 1.00 0.00 H new ATOM 0 HE ARG A 21 11.279 6.235 14.688 1.00 0.00 H new ATOM 0 HH11 ARG A 21 11.517 2.916 13.474 1.00 0.00 H new ATOM 0 HH12 ARG A 21 10.870 2.246 14.975 1.00 0.00 H new ATOM 0 HH21 ARG A 21 10.515 5.280 16.565 1.00 0.00 H new ATOM 0 HH22 ARG A 21 10.328 3.525 16.647 1.00 0.00 H new ATOM 358 N GLU A 22 14.351 6.241 8.132 1.00 0.00 N ATOM 359 CA GLU A 22 15.089 6.599 6.912 1.00 0.00 C ATOM 360 C GLU A 22 14.182 6.550 5.675 1.00 0.00 C ATOM 361 O GLU A 22 14.320 7.378 4.778 1.00 0.00 O ATOM 362 CB GLU A 22 16.342 5.717 6.743 1.00 0.00 C ATOM 363 CG GLU A 22 17.255 6.272 5.633 1.00 0.00 C ATOM 364 CD GLU A 22 18.664 5.653 5.558 1.00 0.00 C ATOM 365 OE1 GLU A 22 19.339 5.833 4.511 1.00 0.00 O ATOM 366 OE2 GLU A 22 19.157 5.075 6.559 1.00 0.00 O ATOM 0 H GLU A 22 14.613 5.338 8.528 1.00 0.00 H new ATOM 0 HA GLU A 22 15.430 7.629 7.016 1.00 0.00 H new ATOM 0 HB2 GLU A 22 16.891 5.673 7.684 1.00 0.00 H new ATOM 0 HB3 GLU A 22 16.044 4.697 6.499 1.00 0.00 H new ATOM 0 HG2 GLU A 22 16.761 6.123 4.673 1.00 0.00 H new ATOM 0 HG3 GLU A 22 17.357 7.348 5.776 1.00 0.00 H new ATOM 374 N ALA A 23 13.193 5.652 5.637 1.00 0.00 N ATOM 375 CA ALA A 23 12.207 5.640 4.562 1.00 0.00 C ATOM 376 C ALA A 23 11.336 6.907 4.559 1.00 0.00 C ATOM 377 O ALA A 23 11.156 7.530 3.512 1.00 0.00 O ATOM 378 CB ALA A 23 11.351 4.377 4.686 1.00 0.00 C ATOM 0 H ALA A 23 13.057 4.926 6.340 1.00 0.00 H new ATOM 0 HA ALA A 23 12.733 5.632 3.607 1.00 0.00 H new ATOM 0 HB1 ALA A 23 10.611 4.359 3.886 1.00 0.00 H new ATOM 0 HB2 ALA A 23 11.989 3.496 4.610 1.00 0.00 H new ATOM 0 HB3 ALA A 23 10.843 4.375 5.651 1.00 0.00 H new ATOM 384 N VAL A 24 10.864 7.340 5.734 1.00 0.00 N ATOM 385 CA VAL A 24 10.177 8.630 5.912 1.00 0.00 C ATOM 386 C VAL A 24 11.074 9.795 5.468 1.00 0.00 C ATOM 387 O VAL A 24 10.603 10.658 4.732 1.00 0.00 O ATOM 388 CB VAL A 24 9.672 8.773 7.365 1.00 0.00 C ATOM 389 CG1 VAL A 24 9.246 10.202 7.719 1.00 0.00 C ATOM 390 CG2 VAL A 24 8.448 7.869 7.574 1.00 0.00 C ATOM 0 H VAL A 24 10.948 6.802 6.597 1.00 0.00 H new ATOM 0 HA VAL A 24 9.298 8.660 5.268 1.00 0.00 H new ATOM 0 HB VAL A 24 10.508 8.492 8.006 1.00 0.00 H new ATOM 0 HG11 VAL A 24 8.902 10.234 8.753 1.00 0.00 H new ATOM 0 HG12 VAL A 24 10.095 10.875 7.598 1.00 0.00 H new ATOM 0 HG13 VAL A 24 8.438 10.515 7.058 1.00 0.00 H new ATOM 0 HG21 VAL A 24 8.092 7.970 8.599 1.00 0.00 H new ATOM 0 HG22 VAL A 24 7.657 8.163 6.884 1.00 0.00 H new ATOM 0 HG23 VAL A 24 8.726 6.832 7.387 1.00 0.00 H new ATOM 400 N HIS A 25 12.371 9.780 5.800 1.00 0.00 N ATOM 401 CA HIS A 25 13.338 10.780 5.325 1.00 0.00 C ATOM 402 C HIS A 25 13.426 10.832 3.787 1.00 0.00 C ATOM 403 O HIS A 25 13.375 11.914 3.203 1.00 0.00 O ATOM 404 CB HIS A 25 14.717 10.480 5.934 1.00 0.00 C ATOM 405 CG HIS A 25 15.770 11.516 5.621 1.00 0.00 C ATOM 406 ND1 HIS A 25 15.683 12.866 5.853 1.00 0.00 N ATOM 407 CD2 HIS A 25 16.988 11.287 5.035 1.00 0.00 C ATOM 408 CE1 HIS A 25 16.818 13.437 5.420 1.00 0.00 C ATOM 409 NE2 HIS A 25 17.654 12.515 4.904 1.00 0.00 N ATOM 0 H HIS A 25 12.782 9.071 6.408 1.00 0.00 H new ATOM 0 HA HIS A 25 12.992 11.761 5.650 1.00 0.00 H new ATOM 0 HB2 HIS A 25 14.614 10.398 7.016 1.00 0.00 H new ATOM 0 HB3 HIS A 25 15.058 9.510 5.572 1.00 0.00 H new ATOM 0 HD2 HIS A 25 17.370 10.325 4.727 1.00 0.00 H new ATOM 0 HE1 HIS A 25 17.032 14.494 5.478 1.00 0.00 H new ATOM 0 HE2 HIS A 25 18.578 12.676 4.502 1.00 0.00 H new ATOM 418 N CYS A 26 13.502 9.672 3.125 1.00 0.00 N ATOM 419 CA CYS A 26 13.556 9.550 1.663 1.00 0.00 C ATOM 420 C CYS A 26 12.292 10.089 0.982 1.00 0.00 C ATOM 421 O CYS A 26 12.390 10.818 -0.007 1.00 0.00 O ATOM 422 CB CYS A 26 13.796 8.073 1.303 1.00 0.00 C ATOM 423 SG CYS A 26 15.433 7.532 1.863 1.00 0.00 S ATOM 0 H CYS A 26 13.528 8.771 3.602 1.00 0.00 H new ATOM 0 HA CYS A 26 14.378 10.162 1.292 1.00 0.00 H new ATOM 0 HB2 CYS A 26 13.026 7.452 1.762 1.00 0.00 H new ATOM 0 HB3 CYS A 26 13.713 7.939 0.225 1.00 0.00 H new ATOM 0 HG CYS A 26 15.404 7.317 3.145 1.00 0.00 H new ATOM 429 N TYR A 27 11.106 9.810 1.527 1.00 0.00 N ATOM 430 CA TYR A 27 9.867 10.410 1.030 1.00 0.00 C ATOM 431 C TYR A 27 9.807 11.924 1.293 1.00 0.00 C ATOM 432 O TYR A 27 9.355 12.674 0.426 1.00 0.00 O ATOM 433 CB TYR A 27 8.667 9.675 1.634 1.00 0.00 C ATOM 434 CG TYR A 27 8.502 8.228 1.194 1.00 0.00 C ATOM 435 CD1 TYR A 27 8.422 7.906 -0.176 1.00 0.00 C ATOM 436 CD2 TYR A 27 8.366 7.207 2.152 1.00 0.00 C ATOM 437 CE1 TYR A 27 8.102 6.597 -0.582 1.00 0.00 C ATOM 438 CE2 TYR A 27 8.080 5.888 1.751 1.00 0.00 C ATOM 439 CZ TYR A 27 7.906 5.592 0.383 1.00 0.00 C ATOM 440 OH TYR A 27 7.567 4.338 -0.008 1.00 0.00 O ATOM 0 H TYR A 27 10.978 9.172 2.313 1.00 0.00 H new ATOM 0 HA TYR A 27 9.838 10.297 -0.054 1.00 0.00 H new ATOM 0 HB2 TYR A 27 8.756 9.699 2.720 1.00 0.00 H new ATOM 0 HB3 TYR A 27 7.760 10.222 1.376 1.00 0.00 H new ATOM 0 HD1 TYR A 27 8.607 8.668 -0.918 1.00 0.00 H new ATOM 0 HD2 TYR A 27 8.482 7.436 3.201 1.00 0.00 H new ATOM 0 HE1 TYR A 27 8.007 6.364 -1.632 1.00 0.00 H new ATOM 0 HE2 TYR A 27 7.994 5.105 2.489 1.00 0.00 H new ATOM 0 HH TYR A 27 7.777 3.704 0.709 1.00 0.00 H new ATOM 450 N ASP A 28 10.326 12.399 2.427 1.00 0.00 N ATOM 451 CA ASP A 28 10.419 13.832 2.734 1.00 0.00 C ATOM 452 C ASP A 28 11.353 14.583 1.770 1.00 0.00 C ATOM 453 O ASP A 28 11.110 15.753 1.482 1.00 0.00 O ATOM 454 CB ASP A 28 10.860 14.030 4.193 1.00 0.00 C ATOM 455 CG ASP A 28 10.429 15.393 4.728 1.00 0.00 C ATOM 456 OD1 ASP A 28 9.392 15.454 5.429 1.00 0.00 O ATOM 457 OD2 ASP A 28 11.071 16.429 4.432 1.00 0.00 O ATOM 0 H ASP A 28 10.696 11.799 3.164 1.00 0.00 H new ATOM 0 HA ASP A 28 9.426 14.261 2.598 1.00 0.00 H new ATOM 0 HB2 ASP A 28 10.432 13.243 4.813 1.00 0.00 H new ATOM 0 HB3 ASP A 28 11.944 13.937 4.262 1.00 0.00 H new ATOM 463 N GLN A 29 12.374 13.930 1.195 1.00 0.00 N ATOM 464 CA GLN A 29 13.250 14.572 0.206 1.00 0.00 C ATOM 465 C GLN A 29 12.520 14.857 -1.122 1.00 0.00 C ATOM 466 O GLN A 29 12.821 15.872 -1.761 1.00 0.00 O ATOM 467 CB GLN A 29 14.542 13.768 -0.027 1.00 0.00 C ATOM 468 CG GLN A 29 15.459 13.519 1.188 1.00 0.00 C ATOM 469 CD GLN A 29 15.455 14.637 2.229 1.00 0.00 C ATOM 470 OE1 GLN A 29 16.163 15.630 2.117 1.00 0.00 O ATOM 471 NE2 GLN A 29 14.644 14.530 3.254 1.00 0.00 N ATOM 0 H GLN A 29 12.612 12.959 1.398 1.00 0.00 H new ATOM 0 HA GLN A 29 13.537 15.535 0.628 1.00 0.00 H new ATOM 0 HB2 GLN A 29 14.264 12.799 -0.442 1.00 0.00 H new ATOM 0 HB3 GLN A 29 15.126 14.285 -0.788 1.00 0.00 H new ATOM 0 HG2 GLN A 29 15.156 12.590 1.671 1.00 0.00 H new ATOM 0 HG3 GLN A 29 16.479 13.375 0.833 1.00 0.00 H new ATOM 0 HE21 GLN A 29 14.052 13.705 3.352 1.00 0.00 H new ATOM 0 HE22 GLN A 29 14.605 15.272 3.953 1.00 0.00 H new ATOM 480 N LEU A 30 11.504 14.057 -1.486 1.00 0.00 N ATOM 481 CA LEU A 30 10.592 14.368 -2.610 1.00 0.00 C ATOM 482 C LEU A 30 9.800 15.654 -2.317 1.00 0.00 C ATOM 483 O LEU A 30 9.752 16.551 -3.154 1.00 0.00 O ATOM 484 CB LEU A 30 9.593 13.221 -2.917 1.00 0.00 C ATOM 485 CG LEU A 30 10.194 11.812 -2.989 1.00 0.00 C ATOM 486 CD1 LEU A 30 9.104 10.743 -2.978 1.00 0.00 C ATOM 487 CD2 LEU A 30 11.003 11.634 -4.272 1.00 0.00 C ATOM 0 H LEU A 30 11.289 13.179 -1.014 1.00 0.00 H new ATOM 0 HA LEU A 30 11.225 14.500 -3.487 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.818 13.226 -2.151 1.00 0.00 H new ATOM 0 HB3 LEU A 30 9.104 13.436 -3.867 1.00 0.00 H new ATOM 0 HG LEU A 30 10.835 11.698 -2.115 1.00 0.00 H new ATOM 0 HD11 LEU A 30 9.562 9.755 -3.030 1.00 0.00 H new ATOM 0 HD12 LEU A 30 8.523 10.825 -2.060 1.00 0.00 H new ATOM 0 HD13 LEU A 30 8.447 10.884 -3.837 1.00 0.00 H new ATOM 0 HD21 LEU A 30 11.420 10.627 -4.302 1.00 0.00 H new ATOM 0 HD22 LEU A 30 10.354 11.784 -5.135 1.00 0.00 H new ATOM 0 HD23 LEU A 30 11.813 12.363 -4.296 1.00 0.00 H new ATOM 499 N ILE A 31 9.216 15.756 -1.114 1.00 0.00 N ATOM 500 CA ILE A 31 8.388 16.902 -0.669 1.00 0.00 C ATOM 501 C ILE A 31 9.257 18.149 -0.401 1.00 0.00 C ATOM 502 O ILE A 31 8.793 19.281 -0.524 1.00 0.00 O ATOM 503 CB ILE A 31 7.522 16.525 0.567 1.00 0.00 C ATOM 504 CG1 ILE A 31 6.781 15.180 0.371 1.00 0.00 C ATOM 505 CG2 ILE A 31 6.473 17.619 0.858 1.00 0.00 C ATOM 506 CD1 ILE A 31 5.995 14.670 1.585 1.00 0.00 C ATOM 0 H ILE A 31 9.304 15.031 -0.402 1.00 0.00 H new ATOM 0 HA ILE A 31 7.703 17.154 -1.479 1.00 0.00 H new ATOM 0 HB ILE A 31 8.211 16.431 1.406 1.00 0.00 H new ATOM 0 HG12 ILE A 31 6.092 15.285 -0.467 1.00 0.00 H new ATOM 0 HG13 ILE A 31 7.512 14.422 0.090 1.00 0.00 H new ATOM 0 HG21 ILE A 31 5.880 17.333 1.726 1.00 0.00 H new ATOM 0 HG22 ILE A 31 6.979 18.563 1.059 1.00 0.00 H new ATOM 0 HG23 ILE A 31 5.819 17.735 -0.006 1.00 0.00 H new ATOM 0 HD11 ILE A 31 5.516 13.723 1.337 1.00 0.00 H new ATOM 0 HD12 ILE A 31 6.676 14.524 2.424 1.00 0.00 H new ATOM 0 HD13 ILE A 31 5.234 15.401 1.859 1.00 0.00 H new ATOM 518 N THR A 32 10.543 17.963 -0.096 1.00 0.00 N ATOM 519 CA THR A 32 11.541 19.041 0.032 1.00 0.00 C ATOM 520 C THR A 32 11.839 19.693 -1.323 1.00 0.00 C ATOM 521 O THR A 32 12.074 20.897 -1.374 1.00 0.00 O ATOM 522 CB THR A 32 12.830 18.507 0.678 1.00 0.00 C ATOM 523 OG1 THR A 32 12.547 17.995 1.967 1.00 0.00 O ATOM 524 CG2 THR A 32 13.906 19.572 0.871 1.00 0.00 C ATOM 0 H THR A 32 10.935 17.037 0.074 1.00 0.00 H new ATOM 0 HA THR A 32 11.122 19.810 0.681 1.00 0.00 H new ATOM 0 HB THR A 32 13.201 17.746 -0.009 1.00 0.00 H new ATOM 0 HG1 THR A 32 11.981 17.199 1.886 1.00 0.00 H new ATOM 0 HG21 THR A 32 14.785 19.122 1.331 1.00 0.00 H new ATOM 0 HG22 THR A 32 14.179 19.993 -0.097 1.00 0.00 H new ATOM 0 HG23 THR A 32 13.524 20.363 1.516 1.00 0.00 H new ATOM 532 N ALA A 33 11.760 18.948 -2.433 1.00 0.00 N ATOM 533 CA ALA A 33 11.796 19.525 -3.783 1.00 0.00 C ATOM 534 C ALA A 33 10.405 19.991 -4.273 1.00 0.00 C ATOM 535 O ALA A 33 10.297 20.967 -5.023 1.00 0.00 O ATOM 536 CB ALA A 33 12.414 18.488 -4.729 1.00 0.00 C ATOM 0 H ALA A 33 11.670 17.932 -2.421 1.00 0.00 H new ATOM 0 HA ALA A 33 12.408 20.427 -3.766 1.00 0.00 H new ATOM 0 HB1 ALA A 33 12.451 18.894 -5.740 1.00 0.00 H new ATOM 0 HB2 ALA A 33 13.424 18.248 -4.396 1.00 0.00 H new ATOM 0 HB3 ALA A 33 11.806 17.583 -4.724 1.00 0.00 H new ATOM 542 N GLN A 34 9.338 19.297 -3.860 1.00 0.00 N ATOM 543 CA GLN A 34 7.974 19.451 -4.383 1.00 0.00 C ATOM 544 C GLN A 34 6.916 19.572 -3.262 1.00 0.00 C ATOM 545 O GLN A 34 6.189 18.607 -2.997 1.00 0.00 O ATOM 546 CB GLN A 34 7.643 18.241 -5.274 1.00 0.00 C ATOM 547 CG GLN A 34 8.538 18.026 -6.501 1.00 0.00 C ATOM 548 CD GLN A 34 8.467 16.564 -6.915 1.00 0.00 C ATOM 549 OE1 GLN A 34 7.662 16.160 -7.746 1.00 0.00 O ATOM 550 NE2 GLN A 34 9.249 15.712 -6.282 1.00 0.00 N ATOM 0 H GLN A 34 9.402 18.589 -3.128 1.00 0.00 H new ATOM 0 HA GLN A 34 7.941 20.378 -4.955 1.00 0.00 H new ATOM 0 HB2 GLN A 34 7.687 17.343 -4.658 1.00 0.00 H new ATOM 0 HB3 GLN A 34 6.613 18.342 -5.617 1.00 0.00 H new ATOM 0 HG2 GLN A 34 8.213 18.666 -7.321 1.00 0.00 H new ATOM 0 HG3 GLN A 34 9.567 18.302 -6.270 1.00 0.00 H new ATOM 0 HE21 GLN A 34 9.918 16.051 -5.591 1.00 0.00 H new ATOM 0 HE22 GLN A 34 9.185 14.714 -6.484 1.00 0.00 H new ATOM 559 N PRO A 35 6.761 20.736 -2.603 1.00 0.00 N ATOM 560 CA PRO A 35 5.709 20.924 -1.605 1.00 0.00 C ATOM 561 C PRO A 35 4.275 20.886 -2.155 1.00 0.00 C ATOM 562 O PRO A 35 3.335 20.733 -1.371 1.00 0.00 O ATOM 563 CB PRO A 35 5.969 22.306 -1.003 1.00 0.00 C ATOM 564 CG PRO A 35 7.467 22.519 -1.213 1.00 0.00 C ATOM 565 CD PRO A 35 7.685 21.861 -2.574 1.00 0.00 C ATOM 0 HA PRO A 35 5.757 20.099 -0.894 1.00 0.00 H new ATOM 0 HB2 PRO A 35 5.382 23.077 -1.502 1.00 0.00 H new ATOM 0 HB3 PRO A 35 5.705 22.338 0.054 1.00 0.00 H new ATOM 0 HG2 PRO A 35 7.733 23.576 -1.222 1.00 0.00 H new ATOM 0 HG3 PRO A 35 8.061 22.047 -0.430 1.00 0.00 H new ATOM 0 HD2 PRO A 35 7.482 22.559 -3.386 1.00 0.00 H new ATOM 0 HD3 PRO A 35 8.716 21.527 -2.690 1.00 0.00 H new ATOM 573 N GLN A 36 4.085 21.064 -3.471 1.00 0.00 N ATOM 574 CA GLN A 36 2.783 21.250 -4.115 1.00 0.00 C ATOM 575 C GLN A 36 2.396 20.073 -5.041 1.00 0.00 C ATOM 576 O GLN A 36 1.207 19.805 -5.205 1.00 0.00 O ATOM 577 CB GLN A 36 2.800 22.614 -4.839 1.00 0.00 C ATOM 578 CG GLN A 36 1.420 23.178 -5.216 1.00 0.00 C ATOM 579 CD GLN A 36 0.541 23.498 -4.006 1.00 0.00 C ATOM 580 OE1 GLN A 36 0.881 24.284 -3.125 1.00 0.00 O ATOM 581 NE2 GLN A 36 -0.618 22.893 -3.915 1.00 0.00 N ATOM 0 H GLN A 36 4.860 21.082 -4.134 1.00 0.00 H new ATOM 0 HA GLN A 36 1.999 21.256 -3.358 1.00 0.00 H new ATOM 0 HB2 GLN A 36 3.308 23.338 -4.202 1.00 0.00 H new ATOM 0 HB3 GLN A 36 3.394 22.517 -5.747 1.00 0.00 H new ATOM 0 HG2 GLN A 36 1.555 24.084 -5.807 1.00 0.00 H new ATOM 0 HG3 GLN A 36 0.903 22.458 -5.851 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -0.910 22.239 -4.641 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -1.228 23.077 -3.118 1.00 0.00 H new ATOM 590 N ASN A 37 3.351 19.322 -5.614 1.00 0.00 N ATOM 591 CA ASN A 37 3.029 18.164 -6.466 1.00 0.00 C ATOM 592 C ASN A 37 2.454 16.991 -5.635 1.00 0.00 C ATOM 593 O ASN A 37 3.124 16.510 -4.711 1.00 0.00 O ATOM 594 CB ASN A 37 4.257 17.685 -7.273 1.00 0.00 C ATOM 595 CG ASN A 37 3.880 17.002 -8.577 1.00 0.00 C ATOM 596 OD1 ASN A 37 3.035 17.454 -9.337 1.00 0.00 O ATOM 597 ND2 ASN A 37 4.506 15.899 -8.884 1.00 0.00 N ATOM 0 H ASN A 37 4.350 19.495 -5.503 1.00 0.00 H new ATOM 0 HA ASN A 37 2.267 18.498 -7.170 1.00 0.00 H new ATOM 0 HB2 ASN A 37 4.899 18.539 -7.489 1.00 0.00 H new ATOM 0 HB3 ASN A 37 4.839 16.995 -6.663 1.00 0.00 H new ATOM 0 HD21 ASN A 37 4.290 15.416 -9.756 1.00 0.00 H new ATOM 0 HD22 ASN A 37 5.211 15.520 -8.252 1.00 0.00 H new ATOM 604 N PRO A 38 1.285 16.415 -5.980 1.00 0.00 N ATOM 605 CA PRO A 38 0.662 15.349 -5.188 1.00 0.00 C ATOM 606 C PRO A 38 1.417 14.011 -5.180 1.00 0.00 C ATOM 607 O PRO A 38 1.094 13.113 -4.393 1.00 0.00 O ATOM 608 CB PRO A 38 -0.756 15.209 -5.738 1.00 0.00 C ATOM 609 CG PRO A 38 -0.607 15.661 -7.190 1.00 0.00 C ATOM 610 CD PRO A 38 0.403 16.799 -7.074 1.00 0.00 C ATOM 0 HA PRO A 38 0.676 15.627 -4.134 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -1.116 14.182 -5.670 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -1.464 15.832 -5.192 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -0.243 14.858 -7.831 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -1.554 15.999 -7.610 1.00 0.00 H new ATOM 0 HD2 PRO A 38 0.960 16.928 -8.002 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -0.093 17.747 -6.866 1.00 0.00 H new ATOM 618 N VAL A 39 2.464 13.877 -5.997 1.00 0.00 N ATOM 619 CA VAL A 39 3.399 12.744 -5.983 1.00 0.00 C ATOM 620 C VAL A 39 4.023 12.540 -4.594 1.00 0.00 C ATOM 621 O VAL A 39 4.132 11.407 -4.133 1.00 0.00 O ATOM 622 CB VAL A 39 4.481 12.952 -7.067 1.00 0.00 C ATOM 623 CG1 VAL A 39 5.669 13.823 -6.648 1.00 0.00 C ATOM 624 CG2 VAL A 39 5.026 11.601 -7.536 1.00 0.00 C ATOM 0 H VAL A 39 2.693 14.572 -6.708 1.00 0.00 H new ATOM 0 HA VAL A 39 2.845 11.833 -6.211 1.00 0.00 H new ATOM 0 HB VAL A 39 3.966 13.487 -7.865 1.00 0.00 H new ATOM 0 HG11 VAL A 39 6.370 13.906 -7.479 1.00 0.00 H new ATOM 0 HG12 VAL A 39 5.313 14.816 -6.372 1.00 0.00 H new ATOM 0 HG13 VAL A 39 6.171 13.368 -5.794 1.00 0.00 H new ATOM 0 HG21 VAL A 39 5.787 11.761 -8.299 1.00 0.00 H new ATOM 0 HG22 VAL A 39 5.466 11.073 -6.690 1.00 0.00 H new ATOM 0 HG23 VAL A 39 4.214 11.006 -7.953 1.00 0.00 H new ATOM 634 N GLY A 40 4.371 13.618 -3.882 1.00 0.00 N ATOM 635 CA GLY A 40 5.024 13.528 -2.575 1.00 0.00 C ATOM 636 C GLY A 40 4.059 13.068 -1.479 1.00 0.00 C ATOM 637 O GLY A 40 4.355 12.128 -0.745 1.00 0.00 O ATOM 0 H GLY A 40 4.207 14.574 -4.196 1.00 0.00 H new ATOM 0 HA2 GLY A 40 5.861 12.832 -2.636 1.00 0.00 H new ATOM 0 HA3 GLY A 40 5.437 14.501 -2.309 1.00 0.00 H new ATOM 641 N TYR A 41 2.854 13.640 -1.436 1.00 0.00 N ATOM 642 CA TYR A 41 1.806 13.259 -0.478 1.00 0.00 C ATOM 643 C TYR A 41 1.315 11.819 -0.690 1.00 0.00 C ATOM 644 O TYR A 41 1.159 11.062 0.269 1.00 0.00 O ATOM 645 CB TYR A 41 0.644 14.261 -0.582 1.00 0.00 C ATOM 646 CG TYR A 41 1.054 15.663 -0.183 1.00 0.00 C ATOM 647 CD1 TYR A 41 1.133 16.018 1.178 1.00 0.00 C ATOM 648 CD2 TYR A 41 1.435 16.589 -1.173 1.00 0.00 C ATOM 649 CE1 TYR A 41 1.634 17.283 1.550 1.00 0.00 C ATOM 650 CE2 TYR A 41 1.939 17.849 -0.804 1.00 0.00 C ATOM 651 CZ TYR A 41 2.054 18.198 0.560 1.00 0.00 C ATOM 652 OH TYR A 41 2.587 19.399 0.921 1.00 0.00 O ATOM 0 H TYR A 41 2.572 14.388 -2.070 1.00 0.00 H new ATOM 0 HA TYR A 41 2.230 13.290 0.526 1.00 0.00 H new ATOM 0 HB2 TYR A 41 0.268 14.273 -1.605 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -0.176 13.930 0.055 1.00 0.00 H new ATOM 0 HD1 TYR A 41 0.810 15.321 1.937 1.00 0.00 H new ATOM 0 HD2 TYR A 41 1.340 16.331 -2.217 1.00 0.00 H new ATOM 0 HE1 TYR A 41 1.696 17.552 2.594 1.00 0.00 H new ATOM 0 HE2 TYR A 41 2.239 18.553 -1.566 1.00 0.00 H new ATOM 0 HH TYR A 41 2.735 19.945 0.121 1.00 0.00 H new ATOM 662 N SER A 42 1.155 11.391 -1.945 1.00 0.00 N ATOM 663 CA SER A 42 0.813 10.000 -2.280 1.00 0.00 C ATOM 664 C SER A 42 1.949 9.000 -2.012 1.00 0.00 C ATOM 665 O SER A 42 1.687 7.806 -1.852 1.00 0.00 O ATOM 666 CB SER A 42 0.318 9.900 -3.724 1.00 0.00 C ATOM 667 OG SER A 42 1.278 10.380 -4.636 1.00 0.00 O ATOM 0 H SER A 42 1.258 11.996 -2.759 1.00 0.00 H new ATOM 0 HA SER A 42 0.006 9.714 -1.605 1.00 0.00 H new ATOM 0 HB2 SER A 42 0.081 8.862 -3.957 1.00 0.00 H new ATOM 0 HB3 SER A 42 -0.605 10.470 -3.833 1.00 0.00 H new ATOM 0 HG SER A 42 1.261 11.360 -4.643 1.00 0.00 H new ATOM 673 N ASN A 43 3.196 9.466 -1.884 1.00 0.00 N ATOM 674 CA ASN A 43 4.325 8.671 -1.399 1.00 0.00 C ATOM 675 C ASN A 43 4.393 8.640 0.144 1.00 0.00 C ATOM 676 O ASN A 43 4.540 7.561 0.715 1.00 0.00 O ATOM 677 CB ASN A 43 5.612 9.166 -2.080 1.00 0.00 C ATOM 678 CG ASN A 43 5.847 8.444 -3.395 1.00 0.00 C ATOM 679 OD1 ASN A 43 6.615 7.503 -3.476 1.00 0.00 O ATOM 680 ND2 ASN A 43 5.153 8.815 -4.442 1.00 0.00 N ATOM 0 H ASN A 43 3.452 10.425 -2.120 1.00 0.00 H new ATOM 0 HA ASN A 43 4.190 7.626 -1.677 1.00 0.00 H new ATOM 0 HB2 ASN A 43 5.543 10.239 -2.258 1.00 0.00 H new ATOM 0 HB3 ASN A 43 6.462 9.007 -1.417 1.00 0.00 H new ATOM 0 HD21 ASN A 43 5.256 8.315 -5.325 1.00 0.00 H new ATOM 0 HD22 ASN A 43 4.509 9.603 -4.374 1.00 0.00 H new ATOM 687 N LYS A 44 4.137 9.754 0.844 1.00 0.00 N ATOM 688 CA LYS A 44 3.957 9.763 2.313 1.00 0.00 C ATOM 689 C LYS A 44 2.819 8.827 2.761 1.00 0.00 C ATOM 690 O LYS A 44 2.971 8.092 3.734 1.00 0.00 O ATOM 691 CB LYS A 44 3.770 11.215 2.797 1.00 0.00 C ATOM 692 CG LYS A 44 3.618 11.316 4.325 1.00 0.00 C ATOM 693 CD LYS A 44 3.541 12.773 4.804 1.00 0.00 C ATOM 694 CE LYS A 44 3.231 12.808 6.306 1.00 0.00 C ATOM 695 NZ LYS A 44 3.225 14.189 6.837 1.00 0.00 N ATOM 0 H LYS A 44 4.048 10.675 0.415 1.00 0.00 H new ATOM 0 HA LYS A 44 4.855 9.364 2.785 1.00 0.00 H new ATOM 0 HB2 LYS A 44 4.625 11.812 2.481 1.00 0.00 H new ATOM 0 HB3 LYS A 44 2.889 11.642 2.319 1.00 0.00 H new ATOM 0 HG2 LYS A 44 2.718 10.785 4.635 1.00 0.00 H new ATOM 0 HG3 LYS A 44 4.462 10.821 4.806 1.00 0.00 H new ATOM 0 HD2 LYS A 44 4.485 13.281 4.606 1.00 0.00 H new ATOM 0 HD3 LYS A 44 2.769 13.307 4.251 1.00 0.00 H new ATOM 0 HE2 LYS A 44 2.261 12.345 6.487 1.00 0.00 H new ATOM 0 HE3 LYS A 44 3.972 12.216 6.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 3.012 14.169 7.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 4.158 14.622 6.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 2.501 14.748 6.343 1.00 0.00 H new ATOM 709 N ALA A 45 1.727 8.749 1.998 1.00 0.00 N ATOM 710 CA ALA A 45 0.659 7.773 2.227 1.00 0.00 C ATOM 711 C ALA A 45 1.115 6.299 2.072 1.00 0.00 C ATOM 712 O ALA A 45 0.589 5.430 2.768 1.00 0.00 O ATOM 713 CB ALA A 45 -0.509 8.109 1.293 1.00 0.00 C ATOM 0 H ALA A 45 1.558 9.363 1.201 1.00 0.00 H new ATOM 0 HA ALA A 45 0.345 7.851 3.268 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -1.316 7.393 1.448 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -0.870 9.115 1.509 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -0.173 8.059 0.257 1.00 0.00 H new ATOM 719 N MET A 46 2.116 6.012 1.224 1.00 0.00 N ATOM 720 CA MET A 46 2.721 4.674 1.105 1.00 0.00 C ATOM 721 C MET A 46 3.466 4.290 2.389 1.00 0.00 C ATOM 722 O MET A 46 3.305 3.174 2.878 1.00 0.00 O ATOM 723 CB MET A 46 3.681 4.616 -0.098 1.00 0.00 C ATOM 724 CG MET A 46 4.078 3.194 -0.511 1.00 0.00 C ATOM 725 SD MET A 46 2.725 2.148 -1.119 1.00 0.00 S ATOM 726 CE MET A 46 3.649 1.091 -2.271 1.00 0.00 C ATOM 0 H MET A 46 2.530 6.704 0.599 1.00 0.00 H new ATOM 0 HA MET A 46 1.915 3.958 0.947 1.00 0.00 H new ATOM 0 HB2 MET A 46 3.213 5.113 -0.948 1.00 0.00 H new ATOM 0 HB3 MET A 46 4.583 5.179 0.143 1.00 0.00 H new ATOM 0 HG2 MET A 46 4.840 3.260 -1.288 1.00 0.00 H new ATOM 0 HG3 MET A 46 4.538 2.701 0.346 1.00 0.00 H new ATOM 0 HE1 MET A 46 2.950 0.518 -2.880 1.00 0.00 H new ATOM 0 HE2 MET A 46 4.269 1.712 -2.918 1.00 0.00 H new ATOM 0 HE3 MET A 46 4.284 0.407 -1.708 1.00 0.00 H new ATOM 736 N ALA A 47 4.219 5.231 2.972 1.00 0.00 N ATOM 737 CA ALA A 47 4.906 5.024 4.248 1.00 0.00 C ATOM 738 C ALA A 47 3.920 4.673 5.370 1.00 0.00 C ATOM 739 O ALA A 47 4.130 3.698 6.083 1.00 0.00 O ATOM 740 CB ALA A 47 5.709 6.283 4.599 1.00 0.00 C ATOM 0 H ALA A 47 4.368 6.157 2.570 1.00 0.00 H new ATOM 0 HA ALA A 47 5.585 4.178 4.146 1.00 0.00 H new ATOM 0 HB1 ALA A 47 6.223 6.134 5.549 1.00 0.00 H new ATOM 0 HB2 ALA A 47 6.442 6.477 3.816 1.00 0.00 H new ATOM 0 HB3 ALA A 47 5.033 7.134 4.682 1.00 0.00 H new ATOM 746 N LEU A 48 2.807 5.409 5.488 1.00 0.00 N ATOM 747 CA LEU A 48 1.798 5.166 6.528 1.00 0.00 C ATOM 748 C LEU A 48 1.205 3.747 6.449 1.00 0.00 C ATOM 749 O LEU A 48 1.101 3.077 7.480 1.00 0.00 O ATOM 750 CB LEU A 48 0.706 6.252 6.454 1.00 0.00 C ATOM 751 CG LEU A 48 1.185 7.669 6.830 1.00 0.00 C ATOM 752 CD1 LEU A 48 0.080 8.688 6.542 1.00 0.00 C ATOM 753 CD2 LEU A 48 1.564 7.780 8.309 1.00 0.00 C ATOM 0 H LEU A 48 2.581 6.187 4.868 1.00 0.00 H new ATOM 0 HA LEU A 48 2.288 5.228 7.500 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.303 6.275 5.441 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -0.113 5.971 7.117 1.00 0.00 H new ATOM 0 HG LEU A 48 2.070 7.872 6.228 1.00 0.00 H new ATOM 0 HD11 LEU A 48 0.426 9.686 6.810 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -0.170 8.664 5.481 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.805 8.441 7.129 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.895 8.796 8.525 1.00 0.00 H new ATOM 0 HD22 LEU A 48 0.697 7.542 8.926 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.370 7.081 8.531 1.00 0.00 H new ATOM 765 N ILE A 49 0.896 3.234 5.248 1.00 0.00 N ATOM 766 CA ILE A 49 0.407 1.847 5.104 1.00 0.00 C ATOM 767 C ILE A 49 1.509 0.789 5.294 1.00 0.00 C ATOM 768 O ILE A 49 1.212 -0.293 5.794 1.00 0.00 O ATOM 769 CB ILE A 49 -0.410 1.622 3.808 1.00 0.00 C ATOM 770 CG1 ILE A 49 0.413 1.768 2.512 1.00 0.00 C ATOM 771 CG2 ILE A 49 -1.628 2.563 3.793 1.00 0.00 C ATOM 772 CD1 ILE A 49 -0.363 1.397 1.240 1.00 0.00 C ATOM 0 H ILE A 49 0.973 3.748 4.371 1.00 0.00 H new ATOM 0 HA ILE A 49 -0.289 1.705 5.930 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.739 0.583 3.824 1.00 0.00 H new ATOM 0 HG12 ILE A 49 0.760 2.798 2.427 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.299 1.138 2.583 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.201 2.402 2.880 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -2.258 2.356 4.658 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.289 3.598 3.831 1.00 0.00 H new ATOM 0 HD11 ILE A 49 0.281 1.525 0.370 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -0.687 0.358 1.302 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -1.235 2.044 1.144 1.00 0.00 H new ATOM 784 N LYS A 50 2.780 1.081 4.978 1.00 0.00 N ATOM 785 CA LYS A 50 3.924 0.170 5.212 1.00 0.00 C ATOM 786 C LYS A 50 4.469 0.200 6.658 1.00 0.00 C ATOM 787 O LYS A 50 5.155 -0.742 7.047 1.00 0.00 O ATOM 788 CB LYS A 50 4.999 0.388 4.118 1.00 0.00 C ATOM 789 CG LYS A 50 5.221 -0.843 3.214 1.00 0.00 C ATOM 790 CD LYS A 50 4.009 -1.335 2.397 1.00 0.00 C ATOM 791 CE LYS A 50 3.616 -0.446 1.205 1.00 0.00 C ATOM 792 NZ LYS A 50 2.539 -1.099 0.412 1.00 0.00 N ATOM 0 H LYS A 50 3.051 1.965 4.548 1.00 0.00 H new ATOM 0 HA LYS A 50 3.562 -0.854 5.118 1.00 0.00 H new ATOM 0 HB2 LYS A 50 4.707 1.236 3.498 1.00 0.00 H new ATOM 0 HB3 LYS A 50 5.943 0.652 4.595 1.00 0.00 H new ATOM 0 HG2 LYS A 50 6.028 -0.612 2.519 1.00 0.00 H new ATOM 0 HG3 LYS A 50 5.565 -1.666 3.840 1.00 0.00 H new ATOM 0 HD2 LYS A 50 4.224 -2.337 2.026 1.00 0.00 H new ATOM 0 HD3 LYS A 50 3.152 -1.419 3.065 1.00 0.00 H new ATOM 0 HE2 LYS A 50 3.276 0.526 1.563 1.00 0.00 H new ATOM 0 HE3 LYS A 50 4.486 -0.267 0.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 2.399 -0.579 -0.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 2.810 -2.080 0.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 1.654 -1.095 0.959 1.00 0.00 H new ATOM 806 N LEU A 51 4.098 1.197 7.472 1.00 0.00 N ATOM 807 CA LEU A 51 4.322 1.267 8.933 1.00 0.00 C ATOM 808 C LEU A 51 3.171 0.596 9.715 1.00 0.00 C ATOM 809 O LEU A 51 3.346 0.161 10.856 1.00 0.00 O ATOM 810 CB LEU A 51 4.479 2.760 9.324 1.00 0.00 C ATOM 811 CG LEU A 51 5.449 3.093 10.478 1.00 0.00 C ATOM 812 CD1 LEU A 51 5.611 4.610 10.582 1.00 0.00 C ATOM 813 CD2 LEU A 51 5.032 2.573 11.853 1.00 0.00 C ATOM 0 H LEU A 51 3.609 2.020 7.118 1.00 0.00 H new ATOM 0 HA LEU A 51 5.228 0.719 9.194 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.806 3.307 8.440 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.494 3.144 9.590 1.00 0.00 H new ATOM 0 HG LEU A 51 6.378 2.584 10.221 1.00 0.00 H new ATOM 0 HD11 LEU A 51 6.296 4.848 11.396 1.00 0.00 H new ATOM 0 HD12 LEU A 51 6.012 4.998 9.646 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.641 5.067 10.778 1.00 0.00 H new ATOM 0 HD21 LEU A 51 5.780 2.860 12.593 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.068 3.001 12.127 1.00 0.00 H new ATOM 0 HD23 LEU A 51 4.951 1.486 11.822 1.00 0.00 H new ATOM 825 N GLY A 52 1.989 0.496 9.098 1.00 0.00 N ATOM 826 CA GLY A 52 0.782 -0.066 9.707 1.00 0.00 C ATOM 827 C GLY A 52 -0.117 0.965 10.406 1.00 0.00 C ATOM 828 O GLY A 52 -0.923 0.611 11.266 1.00 0.00 O ATOM 0 H GLY A 52 1.843 0.811 8.139 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.202 -0.571 8.935 1.00 0.00 H new ATOM 0 HA3 GLY A 52 1.076 -0.825 10.432 1.00 0.00 H new ATOM 832 N GLU A 53 -0.001 2.246 10.046 1.00 0.00 N ATOM 833 CA GLU A 53 -0.867 3.338 10.519 1.00 0.00 C ATOM 834 C GLU A 53 -1.927 3.688 9.463 1.00 0.00 C ATOM 835 O GLU A 53 -2.092 4.832 9.028 1.00 0.00 O ATOM 836 CB GLU A 53 -0.040 4.533 11.029 1.00 0.00 C ATOM 837 CG GLU A 53 1.014 4.171 12.091 1.00 0.00 C ATOM 838 CD GLU A 53 0.433 3.502 13.349 1.00 0.00 C ATOM 839 OE1 GLU A 53 1.180 2.750 14.025 1.00 0.00 O ATOM 840 OE2 GLU A 53 -0.766 3.696 13.673 1.00 0.00 O ATOM 0 H GLU A 53 0.719 2.565 9.398 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.428 3.001 11.391 1.00 0.00 H new ATOM 0 HB2 GLU A 53 0.462 5.000 10.181 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -0.719 5.277 11.447 1.00 0.00 H new ATOM 0 HG2 GLU A 53 1.750 3.503 11.644 1.00 0.00 H new ATOM 0 HG3 GLU A 53 1.543 5.077 12.386 1.00 0.00 H new ATOM 848 N TYR A 54 -2.654 2.652 9.029 1.00 0.00 N ATOM 849 CA TYR A 54 -3.705 2.710 8.007 1.00 0.00 C ATOM 850 C TYR A 54 -4.757 3.789 8.310 1.00 0.00 C ATOM 851 O TYR A 54 -5.176 4.528 7.421 1.00 0.00 O ATOM 852 CB TYR A 54 -4.371 1.324 7.916 1.00 0.00 C ATOM 853 CG TYR A 54 -3.397 0.169 7.785 1.00 0.00 C ATOM 854 CD1 TYR A 54 -2.766 -0.076 6.554 1.00 0.00 C ATOM 855 CD2 TYR A 54 -3.117 -0.655 8.894 1.00 0.00 C ATOM 856 CE1 TYR A 54 -1.868 -1.151 6.421 1.00 0.00 C ATOM 857 CE2 TYR A 54 -2.231 -1.742 8.759 1.00 0.00 C ATOM 858 CZ TYR A 54 -1.607 -1.997 7.520 1.00 0.00 C ATOM 859 OH TYR A 54 -0.739 -3.036 7.389 1.00 0.00 O ATOM 0 H TYR A 54 -2.520 1.710 9.396 1.00 0.00 H new ATOM 0 HA TYR A 54 -3.248 2.981 7.055 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -4.982 1.169 8.805 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -5.045 1.314 7.060 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -2.971 0.563 5.707 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -3.582 -0.453 9.848 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -1.377 -1.329 5.476 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -2.029 -2.381 9.606 1.00 0.00 H new ATOM 0 HH TYR A 54 -0.673 -3.517 8.241 1.00 0.00 H new ATOM 869 N THR A 55 -5.100 3.955 9.587 1.00 0.00 N ATOM 870 CA THR A 55 -6.070 4.932 10.102 1.00 0.00 C ATOM 871 C THR A 55 -5.592 6.388 9.981 1.00 0.00 C ATOM 872 O THR A 55 -6.414 7.306 10.015 1.00 0.00 O ATOM 873 CB THR A 55 -6.396 4.567 11.564 1.00 0.00 C ATOM 874 OG1 THR A 55 -6.444 3.160 11.739 1.00 0.00 O ATOM 875 CG2 THR A 55 -7.720 5.140 12.051 1.00 0.00 C ATOM 0 H THR A 55 -4.692 3.387 10.329 1.00 0.00 H new ATOM 0 HA THR A 55 -6.969 4.878 9.488 1.00 0.00 H new ATOM 0 HB THR A 55 -5.591 5.008 12.152 1.00 0.00 H new ATOM 0 HG1 THR A 55 -6.651 2.954 12.674 1.00 0.00 H new ATOM 0 HG21 THR A 55 -7.886 4.844 13.087 1.00 0.00 H new ATOM 0 HG22 THR A 55 -7.692 6.228 11.984 1.00 0.00 H new ATOM 0 HG23 THR A 55 -8.531 4.759 11.431 1.00 0.00 H new ATOM 883 N GLN A 56 -4.295 6.622 9.743 1.00 0.00 N ATOM 884 CA GLN A 56 -3.776 7.928 9.304 1.00 0.00 C ATOM 885 C GLN A 56 -3.745 8.038 7.771 1.00 0.00 C ATOM 886 O GLN A 56 -3.966 9.121 7.222 1.00 0.00 O ATOM 887 CB GLN A 56 -2.372 8.196 9.871 1.00 0.00 C ATOM 888 CG GLN A 56 -2.185 7.830 11.344 1.00 0.00 C ATOM 889 CD GLN A 56 -3.307 8.257 12.276 1.00 0.00 C ATOM 890 OE1 GLN A 56 -3.674 9.422 12.386 1.00 0.00 O ATOM 891 NE2 GLN A 56 -3.887 7.305 12.960 1.00 0.00 N ATOM 0 H GLN A 56 -3.572 5.910 9.849 1.00 0.00 H new ATOM 0 HA GLN A 56 -4.460 8.683 9.693 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -1.646 7.638 9.279 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -2.142 9.254 9.744 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -2.067 6.749 11.419 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -1.255 8.277 11.695 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -3.572 6.340 12.859 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -4.654 7.527 13.594 1.00 0.00 H new ATOM 900 N ALA A 57 -3.489 6.927 7.069 1.00 0.00 N ATOM 901 CA ALA A 57 -3.434 6.881 5.609 1.00 0.00 C ATOM 902 C ALA A 57 -4.797 7.144 4.944 1.00 0.00 C ATOM 903 O ALA A 57 -4.838 7.805 3.908 1.00 0.00 O ATOM 904 CB ALA A 57 -2.860 5.529 5.171 1.00 0.00 C ATOM 0 H ALA A 57 -3.312 6.024 7.509 1.00 0.00 H new ATOM 0 HA ALA A 57 -2.782 7.688 5.275 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.816 5.488 4.083 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -1.856 5.410 5.579 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -3.499 4.726 5.539 1.00 0.00 H new ATOM 910 N ILE A 58 -5.912 6.699 5.539 1.00 0.00 N ATOM 911 CA ILE A 58 -7.270 6.938 5.006 1.00 0.00 C ATOM 912 C ILE A 58 -7.641 8.432 4.953 1.00 0.00 C ATOM 913 O ILE A 58 -8.245 8.875 3.973 1.00 0.00 O ATOM 914 CB ILE A 58 -8.331 6.103 5.763 1.00 0.00 C ATOM 915 CG1 ILE A 58 -8.394 6.432 7.273 1.00 0.00 C ATOM 916 CG2 ILE A 58 -8.085 4.602 5.528 1.00 0.00 C ATOM 917 CD1 ILE A 58 -9.428 5.609 8.048 1.00 0.00 C ATOM 0 H ILE A 58 -5.903 6.161 6.406 1.00 0.00 H new ATOM 0 HA ILE A 58 -7.260 6.597 3.971 1.00 0.00 H new ATOM 0 HB ILE A 58 -9.306 6.373 5.358 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -7.410 6.266 7.712 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -8.623 7.491 7.394 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -8.836 4.022 6.064 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -8.152 4.385 4.462 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -7.093 4.335 5.891 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -9.410 5.899 9.099 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -10.421 5.793 7.638 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -9.189 4.549 7.960 1.00 0.00 H new ATOM 929 N GLN A 59 -7.204 9.228 5.938 1.00 0.00 N ATOM 930 CA GLN A 59 -7.315 10.697 5.898 1.00 0.00 C ATOM 931 C GLN A 59 -6.423 11.303 4.800 1.00 0.00 C ATOM 932 O GLN A 59 -6.863 12.194 4.067 1.00 0.00 O ATOM 933 CB GLN A 59 -7.017 11.277 7.294 1.00 0.00 C ATOM 934 CG GLN A 59 -6.945 12.821 7.384 1.00 0.00 C ATOM 935 CD GLN A 59 -5.607 13.435 6.962 1.00 0.00 C ATOM 936 OE1 GLN A 59 -4.587 12.768 6.866 1.00 0.00 O ATOM 937 NE2 GLN A 59 -5.536 14.722 6.709 1.00 0.00 N ATOM 0 H GLN A 59 -6.763 8.874 6.787 1.00 0.00 H new ATOM 0 HA GLN A 59 -8.337 10.970 5.633 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -7.786 10.928 7.983 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -6.068 10.868 7.641 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -7.733 13.243 6.761 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -7.156 13.120 8.411 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -6.371 15.303 6.781 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -4.645 15.141 6.440 1.00 0.00 H new ATOM 946 N MET A 60 -5.192 10.799 4.652 1.00 0.00 N ATOM 947 CA MET A 60 -4.193 11.363 3.739 1.00 0.00 C ATOM 948 C MET A 60 -4.452 11.013 2.265 1.00 0.00 C ATOM 949 O MET A 60 -4.159 11.814 1.377 1.00 0.00 O ATOM 950 CB MET A 60 -2.790 10.955 4.209 1.00 0.00 C ATOM 951 CG MET A 60 -1.696 11.729 3.459 1.00 0.00 C ATOM 952 SD MET A 60 -0.103 11.806 4.323 1.00 0.00 S ATOM 953 CE MET A 60 -0.505 13.086 5.550 1.00 0.00 C ATOM 0 H MET A 60 -4.860 9.983 5.166 1.00 0.00 H new ATOM 0 HA MET A 60 -4.272 12.449 3.776 1.00 0.00 H new ATOM 0 HB2 MET A 60 -2.697 11.137 5.280 1.00 0.00 H new ATOM 0 HB3 MET A 60 -2.651 9.885 4.055 1.00 0.00 H new ATOM 0 HG2 MET A 60 -1.544 11.266 2.484 1.00 0.00 H new ATOM 0 HG3 MET A 60 -2.046 12.745 3.278 1.00 0.00 H new ATOM 0 HE1 MET A 60 0.142 13.950 5.400 1.00 0.00 H new ATOM 0 HE2 MET A 60 -1.546 13.388 5.433 1.00 0.00 H new ATOM 0 HE3 MET A 60 -0.353 12.689 6.554 1.00 0.00 H new ATOM 963 N CYS A 61 -5.069 9.864 1.979 1.00 0.00 N ATOM 964 CA CYS A 61 -5.471 9.520 0.613 1.00 0.00 C ATOM 965 C CYS A 61 -6.647 10.392 0.143 1.00 0.00 C ATOM 966 O CYS A 61 -6.602 10.895 -0.977 1.00 0.00 O ATOM 967 CB CYS A 61 -5.730 8.012 0.478 1.00 0.00 C ATOM 968 SG CYS A 61 -4.220 7.084 0.868 1.00 0.00 S ATOM 0 H CYS A 61 -5.301 9.156 2.675 1.00 0.00 H new ATOM 0 HA CYS A 61 -4.645 9.745 -0.062 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -6.535 7.712 1.149 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -6.057 7.780 -0.536 1.00 0.00 H new ATOM 0 HG CYS A 61 -4.022 7.097 2.153 1.00 0.00 H new ATOM 974 N GLN A 62 -7.626 10.688 1.009 1.00 0.00 N ATOM 975 CA GLN A 62 -8.647 11.711 0.723 1.00 0.00 C ATOM 976 C GLN A 62 -8.013 13.092 0.493 1.00 0.00 C ATOM 977 O GLN A 62 -8.331 13.753 -0.494 1.00 0.00 O ATOM 978 CB GLN A 62 -9.669 11.774 1.865 1.00 0.00 C ATOM 979 CG GLN A 62 -10.671 10.616 1.802 1.00 0.00 C ATOM 980 CD GLN A 62 -11.503 10.551 3.074 1.00 0.00 C ATOM 981 OE1 GLN A 62 -12.477 11.273 3.260 1.00 0.00 O ATOM 982 NE2 GLN A 62 -11.107 9.721 4.009 1.00 0.00 N ATOM 0 H GLN A 62 -7.734 10.234 1.916 1.00 0.00 H new ATOM 0 HA GLN A 62 -9.159 11.425 -0.196 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -9.146 11.750 2.821 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -10.206 12.721 1.819 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -11.326 10.742 0.940 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -10.138 9.675 1.662 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -10.297 9.123 3.850 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -11.610 9.674 4.895 1.00 0.00 H new ATOM 991 N GLN A 63 -7.045 13.491 1.325 1.00 0.00 N ATOM 992 CA GLN A 63 -6.304 14.742 1.143 1.00 0.00 C ATOM 993 C GLN A 63 -5.583 14.813 -0.213 1.00 0.00 C ATOM 994 O GLN A 63 -5.502 15.894 -0.790 1.00 0.00 O ATOM 995 CB GLN A 63 -5.358 14.942 2.343 1.00 0.00 C ATOM 996 CG GLN A 63 -4.493 16.213 2.282 1.00 0.00 C ATOM 997 CD GLN A 63 -3.071 15.941 1.784 1.00 0.00 C ATOM 998 OE1 GLN A 63 -2.844 15.853 0.493 1.00 0.00 O flip ATOM 999 NE2 GLN A 63 -2.135 15.774 2.554 1.00 0.00 N flip ATOM 0 H GLN A 63 -6.754 12.955 2.143 1.00 0.00 H new ATOM 0 HA GLN A 63 -7.010 15.572 1.117 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -5.953 14.969 3.256 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -4.700 14.076 2.417 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -4.970 16.940 1.625 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -4.446 16.662 3.274 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -2.285 15.837 3.561 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -1.204 15.572 2.189 1.00 0.00 H new ATOM 1008 N GLY A 64 -5.057 13.707 -0.757 1.00 0.00 N ATOM 1009 CA GLY A 64 -4.457 13.706 -2.099 1.00 0.00 C ATOM 1010 C GLY A 64 -5.472 13.619 -3.248 1.00 0.00 C ATOM 1011 O GLY A 64 -5.202 14.179 -4.305 1.00 0.00 O ATOM 0 H GLY A 64 -5.035 12.801 -0.289 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.866 14.614 -2.220 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -3.768 12.865 -2.175 1.00 0.00 H new ATOM 1015 N LEU A 65 -6.660 13.027 -3.057 1.00 0.00 N ATOM 1016 CA LEU A 65 -7.738 13.059 -4.063 1.00 0.00 C ATOM 1017 C LEU A 65 -8.179 14.495 -4.396 1.00 0.00 C ATOM 1018 O LEU A 65 -8.456 14.776 -5.563 1.00 0.00 O ATOM 1019 CB LEU A 65 -8.939 12.211 -3.605 1.00 0.00 C ATOM 1020 CG LEU A 65 -8.704 10.692 -3.670 1.00 0.00 C ATOM 1021 CD1 LEU A 65 -9.889 9.962 -3.036 1.00 0.00 C ATOM 1022 CD2 LEU A 65 -8.539 10.184 -5.106 1.00 0.00 C ATOM 0 H LEU A 65 -6.902 12.516 -2.208 1.00 0.00 H new ATOM 0 HA LEU A 65 -7.335 12.626 -4.979 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -9.192 12.484 -2.580 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -9.801 12.460 -4.223 1.00 0.00 H new ATOM 0 HG LEU A 65 -7.780 10.491 -3.128 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -9.721 8.886 -3.083 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -9.990 10.268 -1.995 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -10.802 10.211 -3.578 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -8.376 9.106 -5.094 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -9.440 10.408 -5.677 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -7.684 10.675 -5.570 1.00 0.00 H new ATOM 1034 N ARG A 66 -8.136 15.431 -3.436 1.00 0.00 N ATOM 1035 CA ARG A 66 -8.451 16.862 -3.659 1.00 0.00 C ATOM 1036 C ARG A 66 -7.534 17.560 -4.676 1.00 0.00 C ATOM 1037 O ARG A 66 -7.904 18.601 -5.209 1.00 0.00 O ATOM 1038 CB ARG A 66 -8.446 17.633 -2.323 1.00 0.00 C ATOM 1039 CG ARG A 66 -9.454 17.059 -1.319 1.00 0.00 C ATOM 1040 CD ARG A 66 -9.543 17.875 -0.029 1.00 0.00 C ATOM 1041 NE ARG A 66 -10.374 17.152 0.950 1.00 0.00 N ATOM 1042 CZ ARG A 66 -9.960 16.489 2.010 1.00 0.00 C ATOM 1043 NH1 ARG A 66 -8.844 16.737 2.633 1.00 0.00 N ATOM 1044 NH2 ARG A 66 -10.666 15.503 2.465 1.00 0.00 N ATOM 0 H ARG A 66 -7.880 15.220 -2.471 1.00 0.00 H new ATOM 0 HA ARG A 66 -9.450 16.876 -4.095 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -7.446 17.600 -1.890 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -8.678 18.681 -2.510 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -10.439 17.017 -1.785 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -9.173 16.034 -1.076 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -8.546 18.043 0.378 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -9.973 18.855 -0.234 1.00 0.00 H new ATOM 0 HE ARG A 66 -11.381 17.167 0.789 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -8.232 17.484 2.305 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -8.582 16.185 3.450 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -11.537 15.244 2.003 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -10.350 14.986 3.286 1.00 0.00 H new ATOM 1058 N TYR A 67 -6.370 16.984 -4.985 1.00 0.00 N ATOM 1059 CA TYR A 67 -5.440 17.479 -6.010 1.00 0.00 C ATOM 1060 C TYR A 67 -5.781 16.971 -7.428 1.00 0.00 C ATOM 1061 O TYR A 67 -5.077 17.310 -8.378 1.00 0.00 O ATOM 1062 CB TYR A 67 -3.997 17.091 -5.624 1.00 0.00 C ATOM 1063 CG TYR A 67 -3.387 17.792 -4.417 1.00 0.00 C ATOM 1064 CD1 TYR A 67 -3.833 17.491 -3.116 1.00 0.00 C ATOM 1065 CD2 TYR A 67 -2.319 18.699 -4.590 1.00 0.00 C ATOM 1066 CE1 TYR A 67 -3.229 18.101 -2.000 1.00 0.00 C ATOM 1067 CE2 TYR A 67 -1.680 19.272 -3.472 1.00 0.00 C ATOM 1068 CZ TYR A 67 -2.127 18.962 -2.171 1.00 0.00 C ATOM 1069 OH TYR A 67 -1.525 19.496 -1.079 1.00 0.00 O ATOM 0 H TYR A 67 -6.037 16.140 -4.520 1.00 0.00 H new ATOM 0 HA TYR A 67 -5.536 18.564 -6.045 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -3.974 16.017 -5.438 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -3.355 17.279 -6.484 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -4.642 16.789 -2.973 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -1.989 18.956 -5.586 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -3.612 17.908 -1.009 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -0.849 19.948 -3.612 1.00 0.00 H new ATOM 0 HH TYR A 67 -0.781 20.067 -1.362 1.00 0.00 H new ATOM 1079 N THR A 68 -6.822 16.144 -7.609 1.00 0.00 N ATOM 1080 CA THR A 68 -7.005 15.315 -8.824 1.00 0.00 C ATOM 1081 C THR A 68 -8.092 15.783 -9.797 1.00 0.00 C ATOM 1082 O THR A 68 -8.592 14.993 -10.599 1.00 0.00 O ATOM 1083 CB THR A 68 -7.130 13.814 -8.508 1.00 0.00 C ATOM 1084 OG1 THR A 68 -8.341 13.489 -7.858 1.00 0.00 O ATOM 1085 CG2 THR A 68 -5.985 13.319 -7.630 1.00 0.00 C ATOM 0 H THR A 68 -7.565 16.027 -6.920 1.00 0.00 H new ATOM 0 HA THR A 68 -6.073 15.469 -9.368 1.00 0.00 H new ATOM 0 HB THR A 68 -7.100 13.322 -9.480 1.00 0.00 H new ATOM 0 HG1 THR A 68 -8.341 13.873 -6.956 1.00 0.00 H new ATOM 0 HG21 THR A 68 -6.113 12.255 -7.431 1.00 0.00 H new ATOM 0 HG22 THR A 68 -5.037 13.481 -8.143 1.00 0.00 H new ATOM 0 HG23 THR A 68 -5.986 13.867 -6.688 1.00 0.00 H new ATOM 1093 N SER A 69 -8.478 17.057 -9.766 1.00 0.00 N ATOM 1094 CA SER A 69 -9.572 17.615 -10.578 1.00 0.00 C ATOM 1095 C SER A 69 -9.303 17.623 -12.090 1.00 0.00 C ATOM 1096 O SER A 69 -10.241 17.456 -12.877 1.00 0.00 O ATOM 1097 CB SER A 69 -9.865 19.045 -10.113 1.00 0.00 C ATOM 1098 OG SER A 69 -10.052 19.087 -8.707 1.00 0.00 O ATOM 0 H SER A 69 -8.033 17.750 -9.164 1.00 0.00 H new ATOM 0 HA SER A 69 -10.427 16.957 -10.426 1.00 0.00 H new ATOM 0 HB2 SER A 69 -9.041 19.700 -10.395 1.00 0.00 H new ATOM 0 HB3 SER A 69 -10.757 19.420 -10.615 1.00 0.00 H new ATOM 0 HG SER A 69 -10.236 20.008 -8.429 1.00 0.00 H new ATOM 1104 N THR A 70 -8.049 17.796 -12.520 1.00 0.00 N ATOM 1105 CA THR A 70 -7.677 17.934 -13.948 1.00 0.00 C ATOM 1106 C THR A 70 -7.022 16.675 -14.535 1.00 0.00 C ATOM 1107 O THR A 70 -6.611 15.760 -13.810 1.00 0.00 O ATOM 1108 CB THR A 70 -6.802 19.175 -14.197 1.00 0.00 C ATOM 1109 OG1 THR A 70 -5.463 18.914 -13.859 1.00 0.00 O ATOM 1110 CG2 THR A 70 -7.246 20.401 -13.399 1.00 0.00 C ATOM 0 H THR A 70 -7.250 17.846 -11.888 1.00 0.00 H new ATOM 0 HA THR A 70 -8.619 18.069 -14.479 1.00 0.00 H new ATOM 0 HB THR A 70 -6.910 19.394 -15.259 1.00 0.00 H new ATOM 0 HG1 THR A 70 -4.922 19.714 -14.025 1.00 0.00 H new ATOM 0 HG21 THR A 70 -6.586 21.239 -13.622 1.00 0.00 H new ATOM 0 HG22 THR A 70 -8.269 20.662 -13.672 1.00 0.00 H new ATOM 0 HG23 THR A 70 -7.201 20.177 -12.333 1.00 0.00 H new ATOM 1118 N ALA A 71 -6.909 16.615 -15.867 1.00 0.00 N ATOM 1119 CA ALA A 71 -6.286 15.502 -16.584 1.00 0.00 C ATOM 1120 C ALA A 71 -4.786 15.333 -16.276 1.00 0.00 C ATOM 1121 O ALA A 71 -4.270 14.223 -16.387 1.00 0.00 O ATOM 1122 CB ALA A 71 -6.518 15.695 -18.087 1.00 0.00 C ATOM 0 H ALA A 71 -7.254 17.350 -16.484 1.00 0.00 H new ATOM 0 HA ALA A 71 -6.756 14.581 -16.240 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -6.059 14.872 -18.635 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -7.589 15.713 -18.290 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -6.072 16.637 -18.406 1.00 0.00 H new ATOM 1128 N GLU A 72 -4.078 16.377 -15.827 1.00 0.00 N ATOM 1129 CA GLU A 72 -2.668 16.283 -15.397 1.00 0.00 C ATOM 1130 C GLU A 72 -2.471 15.313 -14.210 1.00 0.00 C ATOM 1131 O GLU A 72 -1.382 14.768 -14.010 1.00 0.00 O ATOM 1132 CB GLU A 72 -2.175 17.688 -15.006 1.00 0.00 C ATOM 1133 CG GLU A 72 -0.645 17.829 -15.004 1.00 0.00 C ATOM 1134 CD GLU A 72 -0.080 17.944 -16.422 1.00 0.00 C ATOM 1135 OE1 GLU A 72 -0.207 19.040 -17.022 1.00 0.00 O ATOM 1136 OE2 GLU A 72 0.509 16.952 -16.921 1.00 0.00 O ATOM 0 H GLU A 72 -4.465 17.318 -15.750 1.00 0.00 H new ATOM 0 HA GLU A 72 -2.090 15.885 -16.231 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -2.597 18.417 -15.698 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -2.555 17.933 -14.014 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -0.363 18.710 -14.428 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -0.202 16.967 -14.505 1.00 0.00 H new ATOM 1144 N HIS A 73 -3.535 15.066 -13.440 1.00 0.00 N ATOM 1145 CA HIS A 73 -3.530 14.355 -12.159 1.00 0.00 C ATOM 1146 C HIS A 73 -4.496 13.148 -12.155 1.00 0.00 C ATOM 1147 O HIS A 73 -4.866 12.638 -11.096 1.00 0.00 O ATOM 1148 CB HIS A 73 -3.859 15.366 -11.048 1.00 0.00 C ATOM 1149 CG HIS A 73 -3.088 16.669 -11.084 1.00 0.00 C ATOM 1150 ND1 HIS A 73 -1.763 16.879 -10.770 1.00 0.00 N ATOM 1151 CD2 HIS A 73 -3.615 17.893 -11.402 1.00 0.00 C ATOM 1152 CE1 HIS A 73 -1.513 18.194 -10.887 1.00 0.00 C ATOM 1153 NE2 HIS A 73 -2.612 18.863 -11.270 1.00 0.00 N ATOM 0 H HIS A 73 -4.470 15.372 -13.707 1.00 0.00 H new ATOM 0 HA HIS A 73 -2.542 13.930 -11.984 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -4.923 15.596 -11.097 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -3.680 14.888 -10.085 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -4.635 18.080 -11.704 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -0.554 18.653 -10.698 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -2.699 19.866 -11.431 1.00 0.00 H new ATOM 1162 N VAL A 74 -4.927 12.670 -13.327 1.00 0.00 N ATOM 1163 CA VAL A 74 -5.866 11.539 -13.452 1.00 0.00 C ATOM 1164 C VAL A 74 -5.239 10.194 -13.054 1.00 0.00 C ATOM 1165 O VAL A 74 -5.933 9.320 -12.527 1.00 0.00 O ATOM 1166 CB VAL A 74 -6.483 11.522 -14.863 1.00 0.00 C ATOM 1167 CG1 VAL A 74 -5.482 11.093 -15.941 1.00 0.00 C ATOM 1168 CG2 VAL A 74 -7.720 10.626 -14.931 1.00 0.00 C ATOM 0 H VAL A 74 -4.635 13.056 -14.225 1.00 0.00 H new ATOM 0 HA VAL A 74 -6.673 11.689 -12.735 1.00 0.00 H new ATOM 0 HB VAL A 74 -6.778 12.552 -15.066 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -5.971 11.099 -16.915 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -4.641 11.786 -15.953 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -5.121 10.088 -15.723 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -8.125 10.641 -15.943 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -7.445 9.605 -14.666 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -8.473 10.992 -14.233 1.00 0.00 H new ATOM 1178 N ALA A 75 -3.916 10.042 -13.192 1.00 0.00 N ATOM 1179 CA ALA A 75 -3.194 8.877 -12.666 1.00 0.00 C ATOM 1180 C ALA A 75 -3.055 8.958 -11.133 1.00 0.00 C ATOM 1181 O ALA A 75 -3.265 7.967 -10.434 1.00 0.00 O ATOM 1182 CB ALA A 75 -1.837 8.755 -13.369 1.00 0.00 C ATOM 0 H ALA A 75 -3.319 10.718 -13.668 1.00 0.00 H new ATOM 0 HA ALA A 75 -3.765 7.972 -12.876 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -1.301 7.890 -12.978 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -1.992 8.632 -14.441 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -1.251 9.656 -13.188 1.00 0.00 H new ATOM 1188 N ILE A 76 -2.848 10.166 -10.594 1.00 0.00 N ATOM 1189 CA ILE A 76 -2.847 10.437 -9.144 1.00 0.00 C ATOM 1190 C ILE A 76 -4.196 10.046 -8.500 1.00 0.00 C ATOM 1191 O ILE A 76 -4.232 9.590 -7.355 1.00 0.00 O ATOM 1192 CB ILE A 76 -2.492 11.923 -8.883 1.00 0.00 C ATOM 1193 CG1 ILE A 76 -1.174 12.399 -9.541 1.00 0.00 C ATOM 1194 CG2 ILE A 76 -2.471 12.269 -7.391 1.00 0.00 C ATOM 1195 CD1 ILE A 76 0.105 11.695 -9.065 1.00 0.00 C ATOM 0 H ILE A 76 -2.674 10.998 -11.158 1.00 0.00 H new ATOM 0 HA ILE A 76 -2.083 9.819 -8.673 1.00 0.00 H new ATOM 0 HB ILE A 76 -3.303 12.466 -9.368 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -1.260 12.265 -10.619 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -1.066 13.468 -9.360 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -2.217 13.321 -7.265 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -3.454 12.079 -6.960 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -1.727 11.653 -6.885 1.00 0.00 H new ATOM 0 HD11 ILE A 76 0.965 12.108 -9.592 1.00 0.00 H new ATOM 0 HD12 ILE A 76 0.228 11.849 -7.993 1.00 0.00 H new ATOM 0 HD13 ILE A 76 0.031 10.627 -9.272 1.00 0.00 H new ATOM 1207 N ARG A 77 -5.311 10.139 -9.241 1.00 0.00 N ATOM 1208 CA ARG A 77 -6.642 9.695 -8.780 1.00 0.00 C ATOM 1209 C ARG A 77 -6.723 8.179 -8.551 1.00 0.00 C ATOM 1210 O ARG A 77 -7.294 7.754 -7.545 1.00 0.00 O ATOM 1211 CB ARG A 77 -7.708 10.216 -9.758 1.00 0.00 C ATOM 1212 CG ARG A 77 -9.106 10.201 -9.130 1.00 0.00 C ATOM 1213 CD ARG A 77 -10.075 11.104 -9.898 1.00 0.00 C ATOM 1214 NE ARG A 77 -11.416 11.108 -9.285 1.00 0.00 N ATOM 1215 CZ ARG A 77 -11.824 11.811 -8.243 1.00 0.00 C ATOM 1216 NH1 ARG A 77 -11.043 12.584 -7.549 1.00 0.00 N ATOM 1217 NH2 ARG A 77 -13.057 11.741 -7.850 1.00 0.00 N ATOM 0 H ARG A 77 -5.318 10.527 -10.184 1.00 0.00 H new ATOM 0 HA ARG A 77 -6.833 10.123 -7.796 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -7.457 11.232 -10.064 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -7.707 9.603 -10.659 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -9.490 9.181 -9.118 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -9.044 10.531 -8.093 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -9.683 12.121 -9.923 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -10.148 10.765 -10.931 1.00 0.00 H new ATOM 0 HE ARG A 77 -12.110 10.497 -9.716 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -10.058 12.672 -7.800 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -11.415 13.103 -6.754 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -13.717 11.141 -8.345 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -13.367 12.285 -7.045 1.00 0.00 H new ATOM 1231 N SER A 78 -6.075 7.390 -9.413 1.00 0.00 N ATOM 1232 CA SER A 78 -5.818 5.948 -9.223 1.00 0.00 C ATOM 1233 C SER A 78 -4.824 5.700 -8.088 1.00 0.00 C ATOM 1234 O SER A 78 -5.090 4.864 -7.223 1.00 0.00 O ATOM 1235 CB SER A 78 -5.338 5.340 -10.552 1.00 0.00 C ATOM 1236 OG SER A 78 -4.971 3.979 -10.437 1.00 0.00 O ATOM 0 H SER A 78 -5.700 7.743 -10.293 1.00 0.00 H new ATOM 0 HA SER A 78 -6.745 5.455 -8.929 1.00 0.00 H new ATOM 0 HB2 SER A 78 -6.129 5.436 -11.296 1.00 0.00 H new ATOM 0 HB3 SER A 78 -4.485 5.911 -10.919 1.00 0.00 H new ATOM 0 HG SER A 78 -4.676 3.645 -11.310 1.00 0.00 H new ATOM 1242 N LYS A 79 -3.737 6.480 -8.006 1.00 0.00 N ATOM 1243 CA LYS A 79 -2.727 6.372 -6.942 1.00 0.00 C ATOM 1244 C LYS A 79 -3.357 6.463 -5.547 1.00 0.00 C ATOM 1245 O LYS A 79 -3.162 5.545 -4.756 1.00 0.00 O ATOM 1246 CB LYS A 79 -1.632 7.437 -7.176 1.00 0.00 C ATOM 1247 CG LYS A 79 -0.366 7.317 -6.308 1.00 0.00 C ATOM 1248 CD LYS A 79 0.632 6.235 -6.740 1.00 0.00 C ATOM 1249 CE LYS A 79 1.301 6.529 -8.086 1.00 0.00 C ATOM 1250 NZ LYS A 79 2.104 5.370 -8.543 1.00 0.00 N ATOM 0 H LYS A 79 -3.531 7.213 -8.685 1.00 0.00 H new ATOM 0 HA LYS A 79 -2.261 5.387 -6.984 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -1.334 7.396 -8.224 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -2.070 8.421 -7.008 1.00 0.00 H new ATOM 0 HG2 LYS A 79 0.146 8.279 -6.308 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -0.669 7.117 -5.280 1.00 0.00 H new ATOM 0 HD2 LYS A 79 1.401 6.134 -5.974 1.00 0.00 H new ATOM 0 HD3 LYS A 79 0.115 5.277 -6.801 1.00 0.00 H new ATOM 0 HE2 LYS A 79 0.541 6.766 -8.830 1.00 0.00 H new ATOM 0 HE3 LYS A 79 1.941 7.406 -7.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 2.520 5.581 -9.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 2.864 5.183 -7.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 1.492 4.532 -8.619 1.00 0.00 H new ATOM 1264 N LEU A 80 -4.147 7.498 -5.233 1.00 0.00 N ATOM 1265 CA LEU A 80 -4.753 7.612 -3.894 1.00 0.00 C ATOM 1266 C LEU A 80 -5.924 6.638 -3.650 1.00 0.00 C ATOM 1267 O LEU A 80 -6.079 6.188 -2.516 1.00 0.00 O ATOM 1268 CB LEU A 80 -5.123 9.071 -3.530 1.00 0.00 C ATOM 1269 CG LEU A 80 -3.985 10.039 -3.140 1.00 0.00 C ATOM 1270 CD1 LEU A 80 -2.866 9.398 -2.314 1.00 0.00 C ATOM 1271 CD2 LEU A 80 -3.361 10.703 -4.362 1.00 0.00 C ATOM 0 H LEU A 80 -4.380 8.257 -5.873 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.968 7.300 -3.205 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -5.650 9.503 -4.381 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -5.830 9.038 -2.701 1.00 0.00 H new ATOM 0 HG LEU A 80 -4.476 10.782 -2.512 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.109 10.147 -2.084 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -3.279 9.003 -1.386 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.412 8.587 -2.883 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -2.565 11.376 -4.044 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -2.948 9.939 -5.020 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -4.123 11.270 -4.897 1.00 0.00 H new ATOM 1283 N GLN A 81 -6.716 6.251 -4.661 1.00 0.00 N ATOM 1284 CA GLN A 81 -7.793 5.266 -4.444 1.00 0.00 C ATOM 1285 C GLN A 81 -7.283 3.826 -4.300 1.00 0.00 C ATOM 1286 O GLN A 81 -7.789 3.121 -3.428 1.00 0.00 O ATOM 1287 CB GLN A 81 -8.913 5.402 -5.489 1.00 0.00 C ATOM 1288 CG GLN A 81 -9.942 6.441 -5.011 1.00 0.00 C ATOM 1289 CD GLN A 81 -10.800 7.039 -6.118 1.00 0.00 C ATOM 1290 OE1 GLN A 81 -12.020 6.900 -6.161 1.00 0.00 O ATOM 1291 NE2 GLN A 81 -10.194 7.782 -7.017 1.00 0.00 N ATOM 0 H GLN A 81 -6.637 6.594 -5.618 1.00 0.00 H new ATOM 0 HA GLN A 81 -8.234 5.507 -3.477 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -8.494 5.705 -6.448 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -9.399 4.439 -5.643 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -10.596 5.973 -4.275 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -9.415 7.248 -4.502 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -9.181 7.899 -6.983 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -10.736 8.242 -7.748 1.00 0.00 H new ATOM 1300 N TYR A 82 -6.236 3.394 -5.016 1.00 0.00 N ATOM 1301 CA TYR A 82 -5.667 2.066 -4.748 1.00 0.00 C ATOM 1302 C TYR A 82 -4.983 2.031 -3.365 1.00 0.00 C ATOM 1303 O TYR A 82 -5.166 1.061 -2.630 1.00 0.00 O ATOM 1304 CB TYR A 82 -4.781 1.561 -5.906 1.00 0.00 C ATOM 1305 CG TYR A 82 -3.342 1.299 -5.511 1.00 0.00 C ATOM 1306 CD1 TYR A 82 -3.016 0.146 -4.768 1.00 0.00 C ATOM 1307 CD2 TYR A 82 -2.366 2.270 -5.773 1.00 0.00 C ATOM 1308 CE1 TYR A 82 -1.736 0.002 -4.200 1.00 0.00 C ATOM 1309 CE2 TYR A 82 -1.069 2.105 -5.247 1.00 0.00 C ATOM 1310 CZ TYR A 82 -0.759 0.992 -4.429 1.00 0.00 C ATOM 1311 OH TYR A 82 0.467 0.880 -3.844 1.00 0.00 O ATOM 0 H TYR A 82 -5.779 3.922 -5.759 1.00 0.00 H new ATOM 0 HA TYR A 82 -6.485 1.347 -4.700 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -5.211 0.642 -6.305 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -4.798 2.296 -6.711 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -3.753 -0.632 -4.634 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -2.605 3.136 -6.372 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -1.504 -0.861 -3.593 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -0.304 2.834 -5.470 1.00 0.00 H new ATOM 0 HH TYR A 82 0.473 0.107 -3.241 1.00 0.00 H new ATOM 1321 N ARG A 83 -4.283 3.104 -2.943 1.00 0.00 N ATOM 1322 CA ARG A 83 -3.733 3.212 -1.570 1.00 0.00 C ATOM 1323 C ARG A 83 -4.829 3.050 -0.507 1.00 0.00 C ATOM 1324 O ARG A 83 -4.577 2.414 0.509 1.00 0.00 O ATOM 1325 CB ARG A 83 -3.023 4.560 -1.347 1.00 0.00 C ATOM 1326 CG ARG A 83 -1.750 4.841 -2.161 1.00 0.00 C ATOM 1327 CD ARG A 83 -0.422 4.393 -1.531 1.00 0.00 C ATOM 1328 NE ARG A 83 0.715 5.125 -2.140 1.00 0.00 N ATOM 1329 CZ ARG A 83 1.471 4.780 -3.170 1.00 0.00 C ATOM 1330 NH1 ARG A 83 1.393 3.635 -3.768 1.00 0.00 N ATOM 1331 NH2 ARG A 83 2.344 5.620 -3.639 1.00 0.00 N ATOM 0 H ARG A 83 -4.083 3.912 -3.533 1.00 0.00 H new ATOM 0 HA ARG A 83 -3.010 2.403 -1.467 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -3.738 5.355 -1.559 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -2.768 4.634 -0.290 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -1.850 4.353 -3.130 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -1.694 5.913 -2.348 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -0.444 4.573 -0.456 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -0.289 3.320 -1.672 1.00 0.00 H new ATOM 0 HE ARG A 83 0.946 6.018 -1.705 1.00 0.00 H new ATOM 0 HH11 ARG A 83 0.720 2.938 -3.450 1.00 0.00 H new ATOM 0 HH12 ARG A 83 2.005 3.429 -4.558 1.00 0.00 H new ATOM 0 HH21 ARG A 83 2.445 6.542 -3.214 1.00 0.00 H new ATOM 0 HH22 ARG A 83 2.929 5.358 -4.433 1.00 0.00 H new ATOM 1345 N LEU A 84 -6.039 3.571 -0.736 1.00 0.00 N ATOM 1346 CA LEU A 84 -7.190 3.421 0.168 1.00 0.00 C ATOM 1347 C LEU A 84 -7.787 2.001 0.148 1.00 0.00 C ATOM 1348 O LEU A 84 -8.082 1.431 1.201 1.00 0.00 O ATOM 1349 CB LEU A 84 -8.230 4.493 -0.209 1.00 0.00 C ATOM 1350 CG LEU A 84 -9.511 4.514 0.649 1.00 0.00 C ATOM 1351 CD1 LEU A 84 -9.226 4.632 2.144 1.00 0.00 C ATOM 1352 CD2 LEU A 84 -10.363 5.716 0.248 1.00 0.00 C ATOM 0 H LEU A 84 -6.252 4.119 -1.569 1.00 0.00 H new ATOM 0 HA LEU A 84 -6.859 3.567 1.196 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -7.755 5.472 -0.144 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -8.515 4.346 -1.251 1.00 0.00 H new ATOM 0 HG LEU A 84 -10.022 3.568 0.471 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -10.167 4.642 2.694 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -8.625 3.782 2.468 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -8.682 5.556 2.339 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -11.271 5.736 0.851 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -9.798 6.633 0.412 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -10.630 5.638 -0.806 1.00 0.00 H new ATOM 1364 N GLU A 85 -7.931 1.399 -1.032 1.00 0.00 N ATOM 1365 CA GLU A 85 -8.404 0.012 -1.186 1.00 0.00 C ATOM 1366 C GLU A 85 -7.408 -1.033 -0.639 1.00 0.00 C ATOM 1367 O GLU A 85 -7.824 -2.130 -0.246 1.00 0.00 O ATOM 1368 CB GLU A 85 -8.744 -0.267 -2.661 1.00 0.00 C ATOM 1369 CG GLU A 85 -10.024 0.461 -3.104 1.00 0.00 C ATOM 1370 CD GLU A 85 -10.543 0.026 -4.485 1.00 0.00 C ATOM 1371 OE1 GLU A 85 -9.781 -0.552 -5.302 1.00 0.00 O ATOM 1372 OE2 GLU A 85 -11.757 0.212 -4.742 1.00 0.00 O ATOM 0 H GLU A 85 -7.723 1.858 -1.919 1.00 0.00 H new ATOM 0 HA GLU A 85 -9.306 -0.089 -0.582 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -7.912 0.047 -3.291 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -8.868 -1.340 -2.808 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -10.804 0.287 -2.363 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -9.833 1.534 -3.120 1.00 0.00 H new ATOM 1380 N LEU A 86 -6.114 -0.693 -0.552 1.00 0.00 N ATOM 1381 CA LEU A 86 -5.064 -1.520 0.057 1.00 0.00 C ATOM 1382 C LEU A 86 -4.726 -1.142 1.505 1.00 0.00 C ATOM 1383 O LEU A 86 -4.273 -2.015 2.235 1.00 0.00 O ATOM 1384 CB LEU A 86 -3.804 -1.552 -0.830 1.00 0.00 C ATOM 1385 CG LEU A 86 -3.797 -2.647 -1.912 1.00 0.00 C ATOM 1386 CD1 LEU A 86 -3.757 -4.057 -1.321 1.00 0.00 C ATOM 1387 CD2 LEU A 86 -4.988 -2.565 -2.864 1.00 0.00 C ATOM 0 H LEU A 86 -5.759 0.192 -0.915 1.00 0.00 H new ATOM 0 HA LEU A 86 -5.476 -2.527 0.116 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -3.695 -0.582 -1.315 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.932 -1.688 -0.191 1.00 0.00 H new ATOM 0 HG LEU A 86 -2.882 -2.458 -2.474 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -3.754 -4.790 -2.128 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -2.855 -4.174 -0.720 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -4.634 -4.213 -0.693 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -4.921 -3.365 -3.601 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -5.914 -2.670 -2.298 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -4.981 -1.601 -3.373 1.00 0.00 H new ATOM 1399 N ALA A 87 -5.040 0.065 1.984 1.00 0.00 N ATOM 1400 CA ALA A 87 -5.072 0.345 3.424 1.00 0.00 C ATOM 1401 C ALA A 87 -6.091 -0.586 4.106 1.00 0.00 C ATOM 1402 O ALA A 87 -5.746 -1.338 5.020 1.00 0.00 O ATOM 1403 CB ALA A 87 -5.403 1.827 3.657 1.00 0.00 C ATOM 0 H ALA A 87 -5.276 0.865 1.396 1.00 0.00 H new ATOM 0 HA ALA A 87 -4.094 0.152 3.866 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -5.426 2.031 4.728 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -4.642 2.448 3.185 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -6.377 2.055 3.223 1.00 0.00 H new ATOM 1409 N GLN A 88 -7.302 -0.650 3.543 1.00 0.00 N ATOM 1410 CA GLN A 88 -8.344 -1.606 3.926 1.00 0.00 C ATOM 1411 C GLN A 88 -7.940 -3.067 3.636 1.00 0.00 C ATOM 1412 O GLN A 88 -8.407 -3.978 4.319 1.00 0.00 O ATOM 1413 CB GLN A 88 -9.639 -1.248 3.180 1.00 0.00 C ATOM 1414 CG GLN A 88 -10.249 0.081 3.664 1.00 0.00 C ATOM 1415 CD GLN A 88 -11.352 0.559 2.730 1.00 0.00 C ATOM 1416 OE1 GLN A 88 -12.541 0.368 2.964 1.00 0.00 O ATOM 1417 NE2 GLN A 88 -10.981 1.170 1.629 1.00 0.00 N ATOM 0 H GLN A 88 -7.591 -0.024 2.791 1.00 0.00 H new ATOM 0 HA GLN A 88 -8.494 -1.536 5.003 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -9.433 -1.182 2.112 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -10.366 -2.049 3.316 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -10.651 -0.046 4.669 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -9.469 0.840 3.726 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -9.991 1.325 1.441 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -11.683 1.489 0.962 1.00 0.00 H new ATOM 1426 N GLY A 89 -7.066 -3.300 2.650 1.00 0.00 N ATOM 1427 CA GLY A 89 -6.610 -4.634 2.243 1.00 0.00 C ATOM 1428 C GLY A 89 -5.503 -5.244 3.111 1.00 0.00 C ATOM 1429 O GLY A 89 -5.492 -6.458 3.319 1.00 0.00 O ATOM 0 H GLY A 89 -6.647 -2.550 2.101 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -7.466 -5.309 2.248 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -6.253 -4.579 1.214 1.00 0.00 H new ATOM 1433 N ALA A 90 -4.597 -4.418 3.640 1.00 0.00 N ATOM 1434 CA ALA A 90 -3.472 -4.832 4.478 1.00 0.00 C ATOM 1435 C ALA A 90 -3.789 -4.765 5.984 1.00 0.00 C ATOM 1436 O ALA A 90 -3.227 -5.550 6.749 1.00 0.00 O ATOM 1437 CB ALA A 90 -2.249 -3.989 4.099 1.00 0.00 C ATOM 0 H ALA A 90 -4.629 -3.409 3.491 1.00 0.00 H new ATOM 0 HA ALA A 90 -3.259 -5.884 4.289 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -1.399 -4.284 4.714 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -2.009 -4.149 3.048 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -2.468 -2.934 4.265 1.00 0.00 H new ATOM 1443 N VAL A 91 -4.727 -3.908 6.420 1.00 0.00 N ATOM 1444 CA VAL A 91 -5.225 -3.936 7.812 1.00 0.00 C ATOM 1445 C VAL A 91 -6.031 -5.212 8.103 1.00 0.00 C ATOM 1446 O VAL A 91 -5.932 -5.767 9.200 1.00 0.00 O ATOM 1447 CB VAL A 91 -6.018 -2.658 8.155 1.00 0.00 C ATOM 1448 CG1 VAL A 91 -7.418 -2.611 7.533 1.00 0.00 C ATOM 1449 CG2 VAL A 91 -6.158 -2.477 9.670 1.00 0.00 C ATOM 0 H VAL A 91 -5.156 -3.190 5.836 1.00 0.00 H new ATOM 0 HA VAL A 91 -4.355 -3.957 8.469 1.00 0.00 H new ATOM 0 HB VAL A 91 -5.432 -1.846 7.724 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -7.913 -1.683 7.820 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -7.335 -2.658 6.447 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -8.003 -3.459 7.889 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -6.722 -1.567 9.877 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -6.684 -3.334 10.092 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -5.168 -2.401 10.120 1.00 0.00 H new ATOM 1459 N GLY A 92 -6.788 -5.717 7.118 1.00 0.00 N ATOM 1460 CA GLY A 92 -7.613 -6.921 7.240 1.00 0.00 C ATOM 1461 C GLY A 92 -8.767 -6.910 6.241 1.00 0.00 C ATOM 1462 O GLY A 92 -9.769 -6.222 6.458 1.00 0.00 O ATOM 0 H GLY A 92 -6.843 -5.287 6.194 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -6.996 -7.805 7.076 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -8.008 -6.992 8.253 1.00 0.00 H new ATOM 1466 N SER A 93 -8.616 -7.648 5.141 1.00 0.00 N ATOM 1467 CA SER A 93 -9.533 -7.639 3.993 1.00 0.00 C ATOM 1468 C SER A 93 -10.939 -8.136 4.340 1.00 0.00 C ATOM 1469 O SER A 93 -11.119 -9.132 5.047 1.00 0.00 O ATOM 1470 CB SER A 93 -8.970 -8.487 2.847 1.00 0.00 C ATOM 1471 OG SER A 93 -7.876 -7.833 2.229 1.00 0.00 O ATOM 0 H SER A 93 -7.831 -8.288 5.017 1.00 0.00 H new ATOM 0 HA SER A 93 -9.619 -6.597 3.686 1.00 0.00 H new ATOM 0 HB2 SER A 93 -8.651 -9.457 3.229 1.00 0.00 H new ATOM 0 HB3 SER A 93 -9.751 -8.675 2.110 1.00 0.00 H new ATOM 0 HG SER A 93 -7.277 -7.476 2.918 1.00 0.00 H new ATOM 1477 N VAL A 94 -11.944 -7.462 3.777 1.00 0.00 N ATOM 1478 CA VAL A 94 -13.382 -7.778 3.914 1.00 0.00 C ATOM 1479 C VAL A 94 -14.086 -7.956 2.558 1.00 0.00 C ATOM 1480 O VAL A 94 -15.303 -8.150 2.506 1.00 0.00 O ATOM 1481 CB VAL A 94 -14.106 -6.729 4.783 1.00 0.00 C ATOM 1482 CG1 VAL A 94 -13.548 -6.687 6.209 1.00 0.00 C ATOM 1483 CG2 VAL A 94 -14.030 -5.314 4.198 1.00 0.00 C ATOM 0 H VAL A 94 -11.780 -6.646 3.187 1.00 0.00 H new ATOM 0 HA VAL A 94 -13.438 -8.741 4.422 1.00 0.00 H new ATOM 0 HB VAL A 94 -15.148 -7.048 4.800 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -14.085 -5.936 6.788 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -13.673 -7.663 6.677 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -12.489 -6.432 6.178 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -14.557 -4.621 4.853 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -12.986 -5.011 4.113 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -14.492 -5.303 3.211 1.00 0.00 H new ATOM 1493 N GLN A 95 -13.332 -7.889 1.456 1.00 0.00 N ATOM 1494 CA GLN A 95 -13.812 -8.030 0.077 1.00 0.00 C ATOM 1495 C GLN A 95 -13.090 -9.152 -0.693 1.00 0.00 C ATOM 1496 O GLN A 95 -12.074 -9.693 -0.246 1.00 0.00 O ATOM 1497 CB GLN A 95 -13.705 -6.666 -0.646 1.00 0.00 C ATOM 1498 CG GLN A 95 -15.042 -5.907 -0.716 1.00 0.00 C ATOM 1499 CD GLN A 95 -16.068 -6.556 -1.650 1.00 0.00 C ATOM 1500 OE1 GLN A 95 -15.980 -7.725 -2.004 1.00 0.00 O ATOM 1501 NE2 GLN A 95 -17.066 -5.825 -2.086 1.00 0.00 N ATOM 0 H GLN A 95 -12.326 -7.728 1.503 1.00 0.00 H new ATOM 0 HA GLN A 95 -14.859 -8.332 0.110 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -12.970 -6.047 -0.132 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -13.333 -6.827 -1.658 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -15.466 -5.842 0.286 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -14.854 -4.887 -1.050 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -17.148 -4.850 -1.797 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -17.760 -6.231 -2.714 1.00 0.00 H new ATOM 1510 N ILE A 96 -13.648 -9.496 -1.861 1.00 0.00 N ATOM 1511 CA ILE A 96 -13.241 -10.609 -2.744 1.00 0.00 C ATOM 1512 C ILE A 96 -13.233 -11.956 -1.980 1.00 0.00 C ATOM 1513 O ILE A 96 -12.181 -12.580 -1.824 1.00 0.00 O ATOM 1514 CB ILE A 96 -11.935 -10.290 -3.529 1.00 0.00 C ATOM 1515 CG1 ILE A 96 -11.974 -8.894 -4.196 1.00 0.00 C ATOM 1516 CG2 ILE A 96 -11.685 -11.338 -4.634 1.00 0.00 C ATOM 1517 CD1 ILE A 96 -10.599 -8.379 -4.644 1.00 0.00 C ATOM 0 H ILE A 96 -14.441 -8.979 -2.241 1.00 0.00 H new ATOM 0 HA ILE A 96 -13.995 -10.726 -3.522 1.00 0.00 H new ATOM 0 HB ILE A 96 -11.131 -10.311 -2.793 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -12.635 -8.934 -5.061 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -12.408 -8.180 -3.496 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -10.767 -11.092 -5.167 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -11.590 -12.326 -4.184 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -12.522 -11.337 -5.332 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -10.710 -7.396 -5.102 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -9.939 -8.304 -3.780 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -10.170 -9.070 -5.369 1.00 0.00 H new ATOM 1529 N PRO A 97 -14.399 -12.423 -1.480 1.00 0.00 N ATOM 1530 CA PRO A 97 -14.502 -13.697 -0.765 1.00 0.00 C ATOM 1531 C PRO A 97 -14.575 -14.915 -1.708 1.00 0.00 C ATOM 1532 O PRO A 97 -14.333 -16.039 -1.274 1.00 0.00 O ATOM 1533 CB PRO A 97 -15.773 -13.550 0.076 1.00 0.00 C ATOM 1534 CG PRO A 97 -16.686 -12.749 -0.849 1.00 0.00 C ATOM 1535 CD PRO A 97 -15.713 -11.780 -1.527 1.00 0.00 C ATOM 0 HA PRO A 97 -13.616 -13.890 -0.161 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -16.204 -14.517 0.334 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -15.582 -13.026 1.013 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -17.191 -13.389 -1.573 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -17.462 -12.222 -0.294 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -16.013 -11.583 -2.556 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -15.696 -10.820 -1.010 1.00 0.00 H new ATOM 1543 N VAL A 98 -14.892 -14.692 -2.995 1.00 0.00 N ATOM 1544 CA VAL A 98 -14.969 -15.722 -4.063 1.00 0.00 C ATOM 1545 C VAL A 98 -15.872 -16.921 -3.689 1.00 0.00 C ATOM 1546 O VAL A 98 -15.428 -18.070 -3.629 1.00 0.00 O ATOM 1547 CB VAL A 98 -13.563 -16.151 -4.563 1.00 0.00 C ATOM 1548 CG1 VAL A 98 -13.643 -16.777 -5.963 1.00 0.00 C ATOM 1549 CG2 VAL A 98 -12.576 -14.981 -4.677 1.00 0.00 C ATOM 0 H VAL A 98 -15.111 -13.757 -3.340 1.00 0.00 H new ATOM 0 HA VAL A 98 -15.464 -15.247 -4.910 1.00 0.00 H new ATOM 0 HB VAL A 98 -13.209 -16.861 -3.816 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -12.644 -17.068 -6.289 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -14.286 -17.657 -5.932 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -14.056 -16.051 -6.663 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -11.614 -15.350 -5.031 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -12.964 -14.245 -5.381 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -12.449 -14.516 -3.699 1.00 0.00 H new ATOM 1559 N VAL A 99 -17.148 -16.637 -3.403 1.00 0.00 N ATOM 1560 CA VAL A 99 -18.207 -17.598 -3.009 1.00 0.00 C ATOM 1561 C VAL A 99 -19.553 -17.214 -3.656 1.00 0.00 C ATOM 1562 O VAL A 99 -19.557 -16.529 -4.681 1.00 0.00 O ATOM 1563 CB VAL A 99 -18.317 -17.714 -1.468 1.00 0.00 C ATOM 1564 CG1 VAL A 99 -17.098 -18.411 -0.867 1.00 0.00 C ATOM 1565 CG2 VAL A 99 -18.512 -16.360 -0.775 1.00 0.00 C ATOM 0 H VAL A 99 -17.498 -15.680 -3.440 1.00 0.00 H new ATOM 0 HA VAL A 99 -17.931 -18.585 -3.381 1.00 0.00 H new ATOM 0 HB VAL A 99 -19.208 -18.316 -1.289 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -17.212 -18.474 0.215 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -17.012 -19.415 -1.282 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -16.199 -17.842 -1.105 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -18.582 -16.509 0.302 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -17.664 -15.712 -0.997 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -19.429 -15.895 -1.137 1.00 0.00 H new ATOM 1575 N GLU A 100 -20.692 -17.660 -3.118 1.00 0.00 N ATOM 1576 CA GLU A 100 -22.032 -17.241 -3.561 1.00 0.00 C ATOM 1577 C GLU A 100 -22.383 -15.807 -3.118 1.00 0.00 C ATOM 1578 O GLU A 100 -21.749 -15.209 -2.242 1.00 0.00 O ATOM 1579 CB GLU A 100 -23.109 -18.224 -3.071 1.00 0.00 C ATOM 1580 CG GLU A 100 -22.948 -19.628 -3.660 1.00 0.00 C ATOM 1581 CD GLU A 100 -23.919 -20.621 -3.009 1.00 0.00 C ATOM 1582 OE1 GLU A 100 -23.493 -21.392 -2.113 1.00 0.00 O ATOM 1583 OE2 GLU A 100 -25.120 -20.621 -3.379 1.00 0.00 O ATOM 0 H GLU A 100 -20.713 -18.332 -2.351 1.00 0.00 H new ATOM 0 HA GLU A 100 -22.011 -17.249 -4.651 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -23.070 -18.285 -1.983 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -24.093 -17.836 -3.333 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -23.124 -19.596 -4.735 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -21.923 -19.970 -3.515 1.00 0.00 H new ATOM 1591 N VAL A 101 -23.415 -15.254 -3.755 1.00 0.00 N ATOM 1592 CA VAL A 101 -23.735 -13.816 -3.694 1.00 0.00 C ATOM 1593 C VAL A 101 -24.313 -13.354 -2.348 1.00 0.00 C ATOM 1594 O VAL A 101 -25.168 -14.010 -1.745 1.00 0.00 O ATOM 1595 CB VAL A 101 -24.606 -13.390 -4.895 1.00 0.00 C ATOM 1596 CG1 VAL A 101 -26.078 -13.792 -4.759 1.00 0.00 C ATOM 1597 CG2 VAL A 101 -24.535 -11.882 -5.151 1.00 0.00 C ATOM 0 H VAL A 101 -24.061 -15.790 -4.334 1.00 0.00 H new ATOM 0 HA VAL A 101 -22.782 -13.291 -3.769 1.00 0.00 H new ATOM 0 HB VAL A 101 -24.182 -13.930 -5.742 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -26.629 -13.460 -5.639 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -26.153 -14.876 -4.672 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -26.502 -13.326 -3.869 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -25.163 -11.628 -6.005 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -24.887 -11.346 -4.269 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -23.504 -11.597 -5.361 1.00 0.00 H new ATOM 1607 N ASP A 102 -23.869 -12.173 -1.909 1.00 0.00 N ATOM 1608 CA ASP A 102 -24.392 -11.410 -0.768 1.00 0.00 C ATOM 1609 C ASP A 102 -24.159 -9.906 -0.996 1.00 0.00 C ATOM 1610 O ASP A 102 -25.117 -9.132 -1.014 1.00 0.00 O ATOM 1611 CB ASP A 102 -23.720 -11.888 0.532 1.00 0.00 C ATOM 1612 CG ASP A 102 -24.174 -11.088 1.758 1.00 0.00 C ATOM 1613 OD1 ASP A 102 -23.312 -10.443 2.396 1.00 0.00 O ATOM 1614 OD2 ASP A 102 -25.384 -11.113 2.092 1.00 0.00 O ATOM 0 H ASP A 102 -23.091 -11.695 -2.365 1.00 0.00 H new ATOM 0 HA ASP A 102 -25.465 -11.578 -0.676 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -23.946 -12.943 0.687 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -22.638 -11.806 0.429 1.00 0.00 H new ATOM 1620 N GLU A 103 -22.899 -9.517 -1.253 1.00 0.00 N ATOM 1621 CA GLU A 103 -22.484 -8.178 -1.714 1.00 0.00 C ATOM 1622 C GLU A 103 -21.352 -8.266 -2.759 1.00 0.00 C ATOM 1623 O GLU A 103 -21.574 -7.907 -3.917 1.00 0.00 O ATOM 1624 CB GLU A 103 -22.036 -7.301 -0.537 1.00 0.00 C ATOM 1625 CG GLU A 103 -23.160 -6.902 0.422 1.00 0.00 C ATOM 1626 CD GLU A 103 -22.599 -6.079 1.581 1.00 0.00 C ATOM 1627 OE1 GLU A 103 -21.736 -6.608 2.332 1.00 0.00 O ATOM 1628 OE2 GLU A 103 -23.028 -4.917 1.770 1.00 0.00 O ATOM 0 H GLU A 103 -22.108 -10.151 -1.141 1.00 0.00 H new ATOM 0 HA GLU A 103 -23.354 -7.719 -2.184 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -21.268 -7.833 0.025 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -21.573 -6.396 -0.930 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -23.915 -6.324 -0.111 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -23.654 -7.795 0.806 1.00 0.00 H new ATOM 1636 N LEU A 104 -20.180 -8.809 -2.379 1.00 0.00 N ATOM 1637 CA LEU A 104 -19.055 -9.202 -3.257 1.00 0.00 C ATOM 1638 C LEU A 104 -18.433 -8.040 -4.089 1.00 0.00 C ATOM 1639 O LEU A 104 -18.951 -6.915 -4.088 1.00 0.00 O ATOM 1640 CB LEU A 104 -19.509 -10.440 -4.081 1.00 0.00 C ATOM 1641 CG LEU A 104 -19.269 -11.782 -3.360 1.00 0.00 C ATOM 1642 CD1 LEU A 104 -20.108 -11.961 -2.094 1.00 0.00 C ATOM 1643 CD2 LEU A 104 -19.584 -12.944 -4.295 1.00 0.00 C ATOM 0 H LEU A 104 -19.979 -8.997 -1.397 1.00 0.00 H new ATOM 0 HA LEU A 104 -18.201 -9.483 -2.641 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -20.570 -10.345 -4.310 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -18.977 -10.448 -5.032 1.00 0.00 H new ATOM 0 HG LEU A 104 -18.219 -11.771 -3.068 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -19.884 -12.928 -1.643 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -19.872 -11.167 -1.386 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -21.167 -11.916 -2.350 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -19.411 -13.886 -3.775 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -20.627 -12.888 -4.607 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -18.940 -12.890 -5.172 1.00 0.00 H new ATOM 1655 N PRO A 105 -17.283 -8.237 -4.771 1.00 0.00 N ATOM 1656 CA PRO A 105 -16.729 -7.246 -5.700 1.00 0.00 C ATOM 1657 C PRO A 105 -17.694 -6.940 -6.858 1.00 0.00 C ATOM 1658 O PRO A 105 -18.587 -7.734 -7.169 1.00 0.00 O ATOM 1659 CB PRO A 105 -15.396 -7.822 -6.193 1.00 0.00 C ATOM 1660 CG PRO A 105 -15.552 -9.327 -5.978 1.00 0.00 C ATOM 1661 CD PRO A 105 -16.389 -9.383 -4.704 1.00 0.00 C ATOM 0 HA PRO A 105 -16.576 -6.288 -5.204 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -15.220 -7.583 -7.242 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -14.553 -7.422 -5.629 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -16.054 -9.809 -6.817 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -14.589 -9.823 -5.855 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -16.951 -10.315 -4.645 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -15.757 -9.335 -3.817 1.00 0.00 H new ATOM 1669 N GLU A 106 -17.534 -5.773 -7.484 1.00 0.00 N ATOM 1670 CA GLU A 106 -18.488 -5.251 -8.472 1.00 0.00 C ATOM 1671 C GLU A 106 -18.641 -6.180 -9.691 1.00 0.00 C ATOM 1672 O GLU A 106 -17.657 -6.625 -10.293 1.00 0.00 O ATOM 1673 CB GLU A 106 -18.088 -3.824 -8.902 1.00 0.00 C ATOM 1674 CG GLU A 106 -19.255 -2.824 -8.924 1.00 0.00 C ATOM 1675 CD GLU A 106 -20.423 -3.276 -9.806 1.00 0.00 C ATOM 1676 OE1 GLU A 106 -20.430 -2.980 -11.028 1.00 0.00 O ATOM 1677 OE2 GLU A 106 -21.331 -3.955 -9.275 1.00 0.00 O ATOM 0 H GLU A 106 -16.736 -5.158 -7.321 1.00 0.00 H new ATOM 0 HA GLU A 106 -19.466 -5.210 -7.992 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -17.319 -3.454 -8.224 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -17.642 -3.867 -9.896 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -19.614 -2.673 -7.906 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -18.892 -1.860 -9.280 1.00 0.00 H new ATOM 1685 N GLY A 107 -19.888 -6.475 -10.059 1.00 0.00 N ATOM 1686 CA GLY A 107 -20.248 -7.319 -11.197 1.00 0.00 C ATOM 1687 C GLY A 107 -19.946 -8.815 -11.038 1.00 0.00 C ATOM 1688 O GLY A 107 -20.099 -9.554 -12.016 1.00 0.00 O ATOM 0 H GLY A 107 -20.702 -6.121 -9.556 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -21.314 -7.201 -11.390 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -19.722 -6.953 -12.078 1.00 0.00 H new ATOM 1692 N TYR A 108 -19.532 -9.298 -9.858 1.00 0.00 N ATOM 1693 CA TYR A 108 -19.199 -10.717 -9.663 1.00 0.00 C ATOM 1694 C TYR A 108 -20.416 -11.633 -9.873 1.00 0.00 C ATOM 1695 O TYR A 108 -20.340 -12.583 -10.656 1.00 0.00 O ATOM 1696 CB TYR A 108 -18.574 -10.939 -8.281 1.00 0.00 C ATOM 1697 CG TYR A 108 -18.053 -12.352 -8.067 1.00 0.00 C ATOM 1698 CD1 TYR A 108 -18.936 -13.389 -7.695 1.00 0.00 C ATOM 1699 CD2 TYR A 108 -16.690 -12.639 -8.268 1.00 0.00 C ATOM 1700 CE1 TYR A 108 -18.462 -14.704 -7.524 1.00 0.00 C ATOM 1701 CE2 TYR A 108 -16.210 -13.954 -8.094 1.00 0.00 C ATOM 1702 CZ TYR A 108 -17.096 -14.992 -7.730 1.00 0.00 C ATOM 1703 OH TYR A 108 -16.623 -16.261 -7.590 1.00 0.00 O ATOM 0 H TYR A 108 -19.419 -8.725 -9.022 1.00 0.00 H new ATOM 0 HA TYR A 108 -18.466 -10.987 -10.423 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -17.754 -10.234 -8.145 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -19.317 -10.715 -7.515 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -19.983 -13.172 -7.540 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -16.010 -11.851 -8.556 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -19.143 -15.491 -7.236 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -15.161 -14.168 -8.240 1.00 0.00 H new ATOM 0 HH TYR A 108 -15.733 -16.325 -7.995 1.00 0.00 H new ATOM 1713 N ASP A 109 -21.535 -11.329 -9.206 1.00 0.00 N ATOM 1714 CA ASP A 109 -22.856 -11.928 -9.435 1.00 0.00 C ATOM 1715 C ASP A 109 -23.964 -10.995 -8.909 1.00 0.00 C ATOM 1716 O ASP A 109 -23.735 -10.226 -7.972 1.00 0.00 O ATOM 1717 CB ASP A 109 -22.951 -13.307 -8.751 1.00 0.00 C ATOM 1718 CG ASP A 109 -24.197 -14.088 -9.191 1.00 0.00 C ATOM 1719 OD1 ASP A 109 -24.460 -14.146 -10.419 1.00 0.00 O ATOM 1720 OD2 ASP A 109 -24.913 -14.646 -8.329 1.00 0.00 O ATOM 0 H ASP A 109 -21.546 -10.631 -8.462 1.00 0.00 H new ATOM 0 HA ASP A 109 -22.992 -12.064 -10.508 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -22.059 -13.888 -8.984 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -22.971 -13.174 -7.669 1.00 0.00 H new ATOM 1726 N ARG A 110 -25.170 -11.071 -9.483 1.00 0.00 N ATOM 1727 CA ARG A 110 -26.346 -10.299 -9.045 1.00 0.00 C ATOM 1728 C ARG A 110 -27.552 -11.196 -8.762 1.00 0.00 C ATOM 1729 O ARG A 110 -27.865 -12.089 -9.556 1.00 0.00 O ATOM 1730 CB ARG A 110 -26.715 -9.237 -10.100 1.00 0.00 C ATOM 1731 CG ARG A 110 -25.672 -8.131 -10.336 1.00 0.00 C ATOM 1732 CD ARG A 110 -25.485 -7.232 -9.108 1.00 0.00 C ATOM 1733 NE ARG A 110 -24.580 -6.104 -9.388 1.00 0.00 N ATOM 1734 CZ ARG A 110 -24.892 -4.916 -9.868 1.00 0.00 C ATOM 1735 NH1 ARG A 110 -26.100 -4.579 -10.206 1.00 0.00 N ATOM 1736 NH2 ARG A 110 -23.984 -4.003 -10.030 1.00 0.00 N ATOM 0 H ARG A 110 -25.363 -11.680 -10.278 1.00 0.00 H new ATOM 0 HA ARG A 110 -26.077 -9.805 -8.111 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -26.899 -9.743 -11.047 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -27.652 -8.767 -9.802 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -24.717 -8.586 -10.598 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -25.979 -7.521 -11.186 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -26.454 -6.850 -8.787 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -25.086 -7.822 -8.283 1.00 0.00 H new ATOM 0 HE ARG A 110 -23.593 -6.261 -9.186 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -26.863 -5.248 -10.105 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -26.285 -3.645 -10.572 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -23.014 -4.200 -9.785 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -24.241 -3.089 -10.402 1.00 0.00 H new ATOM 1750 N SER A 111 -28.278 -10.867 -7.691 1.00 0.00 N ATOM 1751 CA SER A 111 -29.608 -11.378 -7.306 1.00 0.00 C ATOM 1752 C SER A 111 -30.717 -10.348 -7.516 1.00 0.00 C ATOM 1753 O SER A 111 -31.842 -10.771 -7.861 1.00 0.00 O ATOM 1754 CB SER A 111 -29.590 -11.940 -5.878 1.00 0.00 C ATOM 1755 OG SER A 111 -29.094 -11.001 -4.931 1.00 0.00 O ATOM 1756 OXT SER A 111 -30.452 -9.125 -7.420 1.00 0.00 O ATOM 0 H SER A 111 -27.931 -10.186 -7.016 1.00 0.00 H new ATOM 0 HA SER A 111 -29.844 -12.203 -7.978 1.00 0.00 H new ATOM 0 HB2 SER A 111 -30.600 -12.238 -5.595 1.00 0.00 H new ATOM 0 HB3 SER A 111 -28.973 -12.838 -5.852 1.00 0.00 H new ATOM 0 HG SER A 111 -29.103 -11.402 -4.037 1.00 0.00 H new TER 1762 SER A 111 ATOM 1763 N MET B -4 12.400 3.837 -10.969 1.00 0.00 N ATOM 1764 CA MET B -4 11.109 4.259 -11.534 1.00 0.00 C ATOM 1765 C MET B -4 9.888 3.703 -10.805 1.00 0.00 C ATOM 1766 O MET B -4 8.841 4.340 -10.872 1.00 0.00 O ATOM 1767 CB MET B -4 11.038 4.050 -13.058 1.00 0.00 C ATOM 1768 CG MET B -4 10.604 2.658 -13.535 1.00 0.00 C ATOM 1769 SD MET B -4 11.631 1.296 -12.937 1.00 0.00 S ATOM 1770 CE MET B -4 10.918 -0.081 -13.877 1.00 0.00 C ATOM 0 H1 MET B -4 13.174 4.202 -11.561 1.00 0.00 H new ATOM 0 H2 MET B -4 12.496 4.212 -10.004 1.00 0.00 H new ATOM 0 H3 MET B -4 12.444 2.798 -10.943 1.00 0.00 H new ATOM 0 HA MET B -4 11.065 5.334 -11.359 1.00 0.00 H new ATOM 0 HB2 MET B -4 10.347 4.784 -13.472 1.00 0.00 H new ATOM 0 HB3 MET B -4 12.020 4.265 -13.479 1.00 0.00 H new ATOM 0 HG2 MET B -4 9.576 2.485 -13.218 1.00 0.00 H new ATOM 0 HG3 MET B -4 10.608 2.646 -14.625 1.00 0.00 H new ATOM 0 HE1 MET B -4 11.441 -1.003 -13.624 1.00 0.00 H new ATOM 0 HE2 MET B -4 9.862 -0.183 -13.628 1.00 0.00 H new ATOM 0 HE3 MET B -4 11.022 0.114 -14.944 1.00 0.00 H new ATOM 1781 N GLU B -3 9.951 2.530 -10.165 1.00 0.00 N ATOM 1782 CA GLU B -3 8.750 1.751 -9.805 1.00 0.00 C ATOM 1783 C GLU B -3 8.401 1.716 -8.307 1.00 0.00 C ATOM 1784 O GLU B -3 9.239 1.948 -7.438 1.00 0.00 O ATOM 1785 CB GLU B -3 8.886 0.331 -10.379 1.00 0.00 C ATOM 1786 CG GLU B -3 9.912 -0.539 -9.637 1.00 0.00 C ATOM 1787 CD GLU B -3 10.213 -1.823 -10.406 1.00 0.00 C ATOM 1788 OE1 GLU B -3 9.266 -2.608 -10.655 1.00 0.00 O ATOM 1789 OE2 GLU B -3 11.393 -2.066 -10.755 1.00 0.00 O ATOM 0 H GLU B -3 10.827 2.092 -9.881 1.00 0.00 H new ATOM 0 HA GLU B -3 7.905 2.275 -10.251 1.00 0.00 H new ATOM 0 HB2 GLU B -3 7.914 -0.160 -10.344 1.00 0.00 H new ATOM 0 HB3 GLU B -3 9.172 0.399 -11.429 1.00 0.00 H new ATOM 0 HG2 GLU B -3 10.833 0.025 -9.493 1.00 0.00 H new ATOM 0 HG3 GLU B -3 9.532 -0.787 -8.646 1.00 0.00 H new ATOM 1797 N GLU B -2 7.153 1.363 -7.995 1.00 0.00 N ATOM 1798 CA GLU B -2 6.714 1.047 -6.632 1.00 0.00 C ATOM 1799 C GLU B -2 6.681 -0.471 -6.390 1.00 0.00 C ATOM 1800 O GLU B -2 6.260 -1.242 -7.261 1.00 0.00 O ATOM 1801 CB GLU B -2 5.320 1.627 -6.375 1.00 0.00 C ATOM 1802 CG GLU B -2 5.280 3.159 -6.280 1.00 0.00 C ATOM 1803 CD GLU B -2 3.846 3.681 -6.109 1.00 0.00 C ATOM 1804 OE1 GLU B -2 3.645 4.919 -6.068 1.00 0.00 O ATOM 1805 OE2 GLU B -2 2.889 2.882 -5.950 1.00 0.00 O ATOM 0 H GLU B -2 6.409 1.287 -8.689 1.00 0.00 H new ATOM 0 HA GLU B -2 7.433 1.494 -5.945 1.00 0.00 H new ATOM 0 HB2 GLU B -2 4.653 1.307 -7.175 1.00 0.00 H new ATOM 0 HB3 GLU B -2 4.930 1.207 -5.448 1.00 0.00 H new ATOM 0 HG2 GLU B -2 5.889 3.487 -5.438 1.00 0.00 H new ATOM 0 HG3 GLU B -2 5.720 3.591 -7.179 1.00 0.00 H new ATOM 1813 N VAL B -1 7.043 -0.894 -5.174 1.00 0.00 N ATOM 1814 CA VAL B -1 7.011 -2.297 -4.722 1.00 0.00 C ATOM 1815 C VAL B -1 6.108 -2.394 -3.487 1.00 0.00 C ATOM 1816 O VAL B -1 6.473 -1.939 -2.403 1.00 0.00 O ATOM 1817 CB VAL B -1 8.434 -2.829 -4.452 1.00 0.00 C ATOM 1818 CG1 VAL B -1 8.399 -4.327 -4.132 1.00 0.00 C ATOM 1819 CG2 VAL B -1 9.358 -2.642 -5.666 1.00 0.00 C ATOM 0 H VAL B -1 7.377 -0.254 -4.453 1.00 0.00 H new ATOM 0 HA VAL B -1 6.598 -2.930 -5.507 1.00 0.00 H new ATOM 0 HB VAL B -1 8.818 -2.258 -3.607 1.00 0.00 H new ATOM 0 HG11 VAL B -1 9.412 -4.683 -3.945 1.00 0.00 H new ATOM 0 HG12 VAL B -1 7.786 -4.496 -3.247 1.00 0.00 H new ATOM 0 HG13 VAL B -1 7.974 -4.870 -4.977 1.00 0.00 H new ATOM 0 HG21 VAL B -1 10.349 -3.030 -5.432 1.00 0.00 H new ATOM 0 HG22 VAL B -1 8.950 -3.181 -6.521 1.00 0.00 H new ATOM 0 HG23 VAL B -1 9.431 -1.582 -5.908 1.00 0.00 H new ATOM 1829 N ASP B 0 4.897 -2.928 -3.669 1.00 0.00 N ATOM 1830 CA ASP B 0 3.768 -2.788 -2.732 1.00 0.00 C ATOM 1831 C ASP B 0 3.652 -3.909 -1.697 1.00 0.00 C ATOM 1832 O ASP B 0 3.483 -3.570 -0.504 1.00 0.00 O ATOM 1833 CB ASP B 0 2.467 -2.601 -3.539 1.00 0.00 C ATOM 1834 CG ASP B 0 1.238 -2.318 -2.665 1.00 0.00 C ATOM 1835 OD1 ASP B 0 1.110 -1.174 -2.166 1.00 0.00 O ATOM 1836 OD2 ASP B 0 0.405 -3.244 -2.496 1.00 0.00 O ATOM 1837 OXT ASP B 0 3.676 -5.106 -2.068 1.00 0.00 O ATOM 0 H ASP B 0 4.664 -3.485 -4.491 1.00 0.00 H new ATOM 0 HA ASP B 0 3.960 -1.902 -2.127 1.00 0.00 H new ATOM 0 HB2 ASP B 0 2.600 -1.778 -4.242 1.00 0.00 H new ATOM 0 HB3 ASP B 0 2.284 -3.498 -4.130 1.00 0.00 H new TER 1843 ASP B 0