USER MOD reduce.3.24.130724 H: found=0, std=0, add=873, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 869 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 98 GLN : amide:sc= -1.31 K(o=-1.3,f=-2.1!) USER MOD Set 1.2: A 100 THR OG1 : rot -20:sc= 0.00428 USER MOD Set 2.1: A 85 MET CE :methyl 173:sc= -0.718 (180deg=-1.25) USER MOD Set 2.2: A 103 THR OG1 : rot -150:sc= -0.381 USER MOD Set 3.1: A 66 THR OG1 : rot -77:sc= 1.27 USER MOD Set 3.2: A 68 MET CE :methyl -132:sc= 0 (180deg=-0.192) USER MOD Set 4.1: A 40 SER OG : rot -79:sc= 1.22 USER MOD Set 4.2: A 48 SER OG : rot 30:sc= 1.14 USER MOD Set 5.1: A 43 MET CE :methyl 173:sc= -0.216 (180deg=-0.272) USER MOD Set 5.2: A 110 TYR OH : rot 180:sc= 0 USER MOD Set 6.1: A 3 THR OG1 : rot 180:sc= 0.931 USER MOD Set 6.2: A 6 GLN :FLIP amide:sc= 0.108 F(o=0.084!,f=1) USER MOD Single : A 1 MET CE :methyl 175:sc= 0 (180deg=-0.0404) USER MOD Single : A 1 MET N :NH3+ 145:sc= 0.042 (180deg=0) USER MOD Single : A 8 GLN :FLIP amide:sc= -0.202 F(o=-1.2,f=-0.2) USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 10 HIS : no HE2:sc= 0.951 K(o=0.95,f=-3!) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -0.0276 X(o=-0.028,f=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc=-0.00635 X(o=-0.0063,f=-0.055) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 MET CE :methyl -157:sc= 0 (180deg=-0.324) USER MOD Single : A 38 MET CE :methyl 165:sc= 0 (180deg=-0.438) USER MOD Single : A 42 SER OG : rot 47:sc= 0.038 USER MOD Single : A 45 ASN : amide:sc= 1.28 K(o=1.3,f=-8.9!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= 0.323 K(o=0.32,f=-1.8) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0.0269 USER MOD Single : A 61 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.0811) USER MOD Single : A 65 MET CE :methyl -157:sc= -0.57 (180deg=-1.39) USER MOD Single : A 69 MET CE :methyl 151:sc= -0.212 (180deg=-1.37) USER MOD Single : A 72 ASN : amide:sc= -0.121 K(o=-0.12,f=-1.7!) USER MOD Single : A 74 GLN : amide:sc= 0.423 K(o=0.42,f=-0.33) USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 ASN : amide:sc= -0.11 K(o=-0.11,f=-1.5!) USER MOD Single : A 81 THR OG1 : rot 74:sc= 1.06 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ -143:sc= 0.498 (180deg=0.392) USER MOD Single : A 91 GLN : amide:sc= -0.127 X(o=-0.13,f=-0.13) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.162 USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 GLN : amide:sc= -1.22 K(o=-1.2,f=-3.6!) USER MOD Single : A 107 THR OG1 : rot 50:sc= 0.152 USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 17.826 1.704 -7.625 1.00 0.00 N ATOM 2 CA MET A 1 16.832 0.708 -7.258 1.00 0.00 C ATOM 3 C MET A 1 16.349 0.979 -5.832 1.00 0.00 C ATOM 4 O MET A 1 17.157 1.333 -4.970 1.00 0.00 O ATOM 5 CB MET A 1 17.437 -0.698 -7.386 1.00 0.00 C ATOM 6 CG MET A 1 16.456 -1.785 -6.931 1.00 0.00 C ATOM 7 SD MET A 1 16.914 -3.487 -7.355 1.00 0.00 S ATOM 8 CE MET A 1 18.470 -3.627 -6.441 1.00 0.00 C ATOM 0 H1 MET A 1 18.547 1.267 -8.234 1.00 0.00 H new ATOM 0 H2 MET A 1 17.365 2.482 -8.138 1.00 0.00 H new ATOM 0 H3 MET A 1 18.278 2.076 -6.766 1.00 0.00 H new ATOM 0 HA MET A 1 15.975 0.768 -7.929 1.00 0.00 H new ATOM 0 HB2 MET A 1 17.723 -0.877 -8.422 1.00 0.00 H new ATOM 0 HB3 MET A 1 18.347 -0.757 -6.789 1.00 0.00 H new ATOM 0 HG2 MET A 1 16.344 -1.717 -5.849 1.00 0.00 H new ATOM 0 HG3 MET A 1 15.480 -1.572 -7.366 1.00 0.00 H new ATOM 0 HE1 MET A 1 18.847 -4.647 -6.519 1.00 0.00 H new ATOM 0 HE2 MET A 1 19.202 -2.936 -6.860 1.00 0.00 H new ATOM 0 HE3 MET A 1 18.299 -3.382 -5.393 1.00 0.00 H new ATOM 18 N VAL A 2 15.051 0.782 -5.593 1.00 0.00 N ATOM 19 CA VAL A 2 14.428 0.931 -4.286 1.00 0.00 C ATOM 20 C VAL A 2 15.081 0.005 -3.246 1.00 0.00 C ATOM 21 O VAL A 2 15.410 -1.158 -3.529 1.00 0.00 O ATOM 22 CB VAL A 2 12.905 0.724 -4.438 1.00 0.00 C ATOM 23 CG1 VAL A 2 12.508 -0.674 -4.935 1.00 0.00 C ATOM 24 CG2 VAL A 2 12.147 1.009 -3.136 1.00 0.00 C ATOM 0 H VAL A 2 14.393 0.508 -6.323 1.00 0.00 H new ATOM 0 HA VAL A 2 14.588 1.938 -3.901 1.00 0.00 H new ATOM 0 HB VAL A 2 12.619 1.447 -5.202 1.00 0.00 H new ATOM 0 HG11 VAL A 2 11.423 -0.737 -5.015 1.00 0.00 H new ATOM 0 HG12 VAL A 2 12.955 -0.853 -5.913 1.00 0.00 H new ATOM 0 HG13 VAL A 2 12.864 -1.425 -4.230 1.00 0.00 H new ATOM 0 HG21 VAL A 2 11.080 0.850 -3.294 1.00 0.00 H new ATOM 0 HG22 VAL A 2 12.502 0.338 -2.354 1.00 0.00 H new ATOM 0 HG23 VAL A 2 12.319 2.042 -2.834 1.00 0.00 H new ATOM 34 N THR A 3 15.208 0.503 -2.013 1.00 0.00 N ATOM 35 CA THR A 3 15.788 -0.217 -0.887 1.00 0.00 C ATOM 36 C THR A 3 14.819 -0.210 0.303 1.00 0.00 C ATOM 37 O THR A 3 13.846 0.541 0.293 1.00 0.00 O ATOM 38 CB THR A 3 17.168 0.372 -0.546 1.00 0.00 C ATOM 39 OG1 THR A 3 17.068 1.697 -0.075 1.00 0.00 O ATOM 40 CG2 THR A 3 18.128 0.333 -1.733 1.00 0.00 C ATOM 0 H THR A 3 14.900 1.444 -1.769 1.00 0.00 H new ATOM 0 HA THR A 3 15.945 -1.262 -1.153 1.00 0.00 H new ATOM 0 HB THR A 3 17.571 -0.260 0.245 1.00 0.00 H new ATOM 0 HG1 THR A 3 17.963 2.039 0.133 1.00 0.00 H new ATOM 0 HG21 THR A 3 19.087 0.760 -1.440 1.00 0.00 H new ATOM 0 HG22 THR A 3 18.273 -0.700 -2.050 1.00 0.00 H new ATOM 0 HG23 THR A 3 17.711 0.911 -2.558 1.00 0.00 H new ATOM 48 N PRO A 4 15.028 -1.051 1.327 1.00 0.00 N ATOM 49 CA PRO A 4 14.202 -1.045 2.536 1.00 0.00 C ATOM 50 C PRO A 4 14.407 0.194 3.415 1.00 0.00 C ATOM 51 O PRO A 4 13.487 0.647 4.096 1.00 0.00 O ATOM 52 CB PRO A 4 14.601 -2.328 3.256 1.00 0.00 C ATOM 53 CG PRO A 4 16.005 -2.653 2.770 1.00 0.00 C ATOM 54 CD PRO A 4 15.955 -2.176 1.331 1.00 0.00 C ATOM 0 HA PRO A 4 13.140 -1.004 2.293 1.00 0.00 H new ATOM 0 HB2 PRO A 4 14.583 -2.192 4.337 1.00 0.00 H new ATOM 0 HB3 PRO A 4 13.909 -3.138 3.025 1.00 0.00 H new ATOM 0 HG2 PRO A 4 16.768 -2.131 3.347 1.00 0.00 H new ATOM 0 HG3 PRO A 4 16.225 -3.718 2.840 1.00 0.00 H new ATOM 0 HD2 PRO A 4 16.942 -1.872 0.983 1.00 0.00 H new ATOM 0 HD3 PRO A 4 15.613 -2.969 0.666 1.00 0.00 H new ATOM 62 N GLU A 5 15.634 0.701 3.456 1.00 0.00 N ATOM 63 CA GLU A 5 16.053 1.884 4.234 1.00 0.00 C ATOM 64 C GLU A 5 15.083 3.053 3.984 1.00 0.00 C ATOM 65 O GLU A 5 14.363 3.479 4.888 1.00 0.00 O ATOM 66 CB GLU A 5 17.529 2.230 3.916 1.00 0.00 C ATOM 67 CG GLU A 5 18.399 2.540 5.150 1.00 0.00 C ATOM 68 CD GLU A 5 18.365 3.996 5.639 1.00 0.00 C ATOM 69 OE1 GLU A 5 17.269 4.508 5.954 1.00 0.00 O ATOM 70 OE2 GLU A 5 19.454 4.616 5.744 1.00 0.00 O ATOM 0 H GLU A 5 16.404 0.289 2.929 1.00 0.00 H new ATOM 0 HA GLU A 5 16.006 1.667 5.301 1.00 0.00 H new ATOM 0 HB2 GLU A 5 17.975 1.396 3.375 1.00 0.00 H new ATOM 0 HB3 GLU A 5 17.550 3.091 3.248 1.00 0.00 H new ATOM 0 HG2 GLU A 5 18.081 1.894 5.968 1.00 0.00 H new ATOM 0 HG3 GLU A 5 19.431 2.277 4.919 1.00 0.00 H new ATOM 77 N GLN A 6 14.970 3.480 2.722 1.00 0.00 N ATOM 78 CA GLN A 6 14.081 4.526 2.198 1.00 0.00 C ATOM 79 C GLN A 6 12.576 4.212 2.312 1.00 0.00 C ATOM 80 O GLN A 6 11.763 4.846 1.641 1.00 0.00 O ATOM 81 CB GLN A 6 14.478 4.807 0.737 1.00 0.00 C ATOM 82 CG GLN A 6 14.231 3.620 -0.188 1.00 0.00 C ATOM 83 CD GLN A 6 14.847 3.832 -1.557 1.00 0.00 C ATOM 84 OE1 GLN A 6 14.083 4.320 -2.509 1.00 0.00 O flip ATOM 85 NE2 GLN A 6 16.006 3.495 -1.783 1.00 0.00 N flip ATOM 0 H GLN A 6 15.541 3.073 1.982 1.00 0.00 H new ATOM 0 HA GLN A 6 14.218 5.409 2.822 1.00 0.00 H new ATOM 0 HB2 GLN A 6 13.916 5.667 0.373 1.00 0.00 H new ATOM 0 HB3 GLN A 6 15.533 5.077 0.699 1.00 0.00 H new ATOM 0 HG2 GLN A 6 14.646 2.718 0.261 1.00 0.00 H new ATOM 0 HG3 GLN A 6 13.158 3.459 -0.294 1.00 0.00 H new ATOM 0 HE21 GLN A 6 16.583 3.118 -1.031 1.00 0.00 H new ATOM 0 HE22 GLN A 6 16.391 3.592 -2.722 1.00 0.00 H new ATOM 94 N LEU A 7 12.176 3.219 3.110 1.00 0.00 N ATOM 95 CA LEU A 7 10.796 2.761 3.241 1.00 0.00 C ATOM 96 C LEU A 7 10.418 2.613 4.704 1.00 0.00 C ATOM 97 O LEU A 7 9.388 3.137 5.114 1.00 0.00 O ATOM 98 CB LEU A 7 10.619 1.419 2.525 1.00 0.00 C ATOM 99 CG LEU A 7 10.753 1.506 0.988 1.00 0.00 C ATOM 100 CD1 LEU A 7 10.689 0.088 0.418 1.00 0.00 C ATOM 101 CD2 LEU A 7 9.628 2.346 0.375 1.00 0.00 C ATOM 0 H LEU A 7 12.825 2.698 3.699 1.00 0.00 H new ATOM 0 HA LEU A 7 10.142 3.504 2.784 1.00 0.00 H new ATOM 0 HB2 LEU A 7 11.360 0.715 2.905 1.00 0.00 H new ATOM 0 HB3 LEU A 7 9.638 1.013 2.772 1.00 0.00 H new ATOM 0 HG LEU A 7 11.702 1.984 0.744 1.00 0.00 H new ATOM 0 HD11 LEU A 7 10.782 0.128 -0.667 1.00 0.00 H new ATOM 0 HD12 LEU A 7 11.504 -0.507 0.830 1.00 0.00 H new ATOM 0 HD13 LEU A 7 9.736 -0.368 0.684 1.00 0.00 H new ATOM 0 HD21 LEU A 7 9.753 2.387 -0.707 1.00 0.00 H new ATOM 0 HD22 LEU A 7 8.665 1.894 0.613 1.00 0.00 H new ATOM 0 HD23 LEU A 7 9.665 3.356 0.783 1.00 0.00 H new ATOM 113 N GLN A 8 11.254 1.942 5.501 1.00 0.00 N ATOM 114 CA GLN A 8 11.026 1.618 6.912 1.00 0.00 C ATOM 115 C GLN A 8 10.757 2.832 7.814 1.00 0.00 C ATOM 116 O GLN A 8 10.422 2.648 8.982 1.00 0.00 O ATOM 117 CB GLN A 8 12.241 0.823 7.423 1.00 0.00 C ATOM 118 CG GLN A 8 12.137 -0.659 7.012 1.00 0.00 C ATOM 119 CD GLN A 8 13.457 -1.417 6.944 1.00 0.00 C ATOM 120 OE1 GLN A 8 14.483 -0.805 6.385 1.00 0.00 O flip ATOM 121 NE2 GLN A 8 13.539 -2.588 7.310 1.00 0.00 N flip ATOM 0 H GLN A 8 12.151 1.593 5.164 1.00 0.00 H new ATOM 0 HA GLN A 8 10.110 1.029 6.964 1.00 0.00 H new ATOM 0 HB2 GLN A 8 13.158 1.253 7.021 1.00 0.00 H new ATOM 0 HB3 GLN A 8 12.302 0.901 8.509 1.00 0.00 H new ATOM 0 HG2 GLN A 8 11.482 -1.168 7.719 1.00 0.00 H new ATOM 0 HG3 GLN A 8 11.656 -0.714 6.035 1.00 0.00 H new ATOM 0 HE21 GLN A 8 12.735 -3.045 7.740 1.00 0.00 H new ATOM 0 HE22 GLN A 8 14.411 -3.102 7.183 1.00 0.00 H new ATOM 130 N HIS A 9 10.862 4.058 7.305 1.00 0.00 N ATOM 131 CA HIS A 9 10.599 5.276 8.063 1.00 0.00 C ATOM 132 C HIS A 9 9.560 6.191 7.407 1.00 0.00 C ATOM 133 O HIS A 9 9.224 7.213 8.011 1.00 0.00 O ATOM 134 CB HIS A 9 11.926 5.980 8.356 1.00 0.00 C ATOM 135 CG HIS A 9 12.784 5.168 9.298 1.00 0.00 C ATOM 136 ND1 HIS A 9 12.685 5.153 10.674 1.00 0.00 N ATOM 137 CD2 HIS A 9 13.728 4.241 8.939 1.00 0.00 C ATOM 138 CE1 HIS A 9 13.541 4.226 11.133 1.00 0.00 C ATOM 139 NE2 HIS A 9 14.199 3.646 10.115 1.00 0.00 N ATOM 0 H HIS A 9 11.137 4.234 6.339 1.00 0.00 H new ATOM 0 HA HIS A 9 10.137 4.998 9.010 1.00 0.00 H new ATOM 0 HB2 HIS A 9 12.465 6.147 7.423 1.00 0.00 H new ATOM 0 HB3 HIS A 9 11.731 6.960 8.792 1.00 0.00 H new ATOM 0 HD2 HIS A 9 14.049 4.012 7.934 1.00 0.00 H new ATOM 0 HE1 HIS A 9 13.681 3.981 12.175 1.00 0.00 H new ATOM 0 HE2 HIS A 9 14.905 2.914 10.186 1.00 0.00 H new ATOM 147 N HIS A 10 8.988 5.822 6.254 1.00 0.00 N ATOM 148 CA HIS A 10 8.149 6.707 5.453 1.00 0.00 C ATOM 149 C HIS A 10 6.741 6.140 5.261 1.00 0.00 C ATOM 150 O HIS A 10 6.543 5.026 4.769 1.00 0.00 O ATOM 151 CB HIS A 10 8.816 6.975 4.101 1.00 0.00 C ATOM 152 CG HIS A 10 10.155 7.659 4.222 1.00 0.00 C ATOM 153 ND1 HIS A 10 10.380 8.995 4.482 1.00 0.00 N ATOM 154 CD2 HIS A 10 11.373 7.046 4.119 1.00 0.00 C ATOM 155 CE1 HIS A 10 11.712 9.176 4.515 1.00 0.00 C ATOM 156 NE2 HIS A 10 12.358 8.021 4.284 1.00 0.00 N ATOM 0 H HIS A 10 9.099 4.891 5.852 1.00 0.00 H new ATOM 0 HA HIS A 10 8.043 7.648 5.992 1.00 0.00 H new ATOM 0 HB2 HIS A 10 8.945 6.030 3.573 1.00 0.00 H new ATOM 0 HB3 HIS A 10 8.154 7.592 3.493 1.00 0.00 H new ATOM 0 HD1 HIS A 10 9.668 9.712 4.623 1.00 0.00 H new ATOM 0 HD2 HIS A 10 11.543 5.994 3.942 1.00 0.00 H new ATOM 0 HE1 HIS A 10 12.197 10.123 4.702 1.00 0.00 H new ATOM 164 N ARG A 11 5.748 6.957 5.605 1.00 0.00 N ATOM 165 CA ARG A 11 4.358 6.798 5.196 1.00 0.00 C ATOM 166 C ARG A 11 4.240 7.099 3.709 1.00 0.00 C ATOM 167 O ARG A 11 4.976 7.922 3.164 1.00 0.00 O ATOM 168 CB ARG A 11 3.509 7.786 6.010 1.00 0.00 C ATOM 169 CG ARG A 11 2.026 7.931 5.612 1.00 0.00 C ATOM 170 CD ARG A 11 1.433 9.049 6.471 1.00 0.00 C ATOM 171 NE ARG A 11 -0.002 9.270 6.245 1.00 0.00 N ATOM 172 CZ ARG A 11 -0.558 10.464 6.029 1.00 0.00 C ATOM 173 NH1 ARG A 11 0.127 11.464 5.484 1.00 0.00 N ATOM 174 NH2 ARG A 11 -1.822 10.644 6.368 1.00 0.00 N ATOM 0 H ARG A 11 5.896 7.775 6.196 1.00 0.00 H new ATOM 0 HA ARG A 11 4.012 5.780 5.375 1.00 0.00 H new ATOM 0 HB2 ARG A 11 3.551 7.485 7.057 1.00 0.00 H new ATOM 0 HB3 ARG A 11 3.975 8.769 5.942 1.00 0.00 H new ATOM 0 HG2 ARG A 11 1.934 8.170 4.553 1.00 0.00 H new ATOM 0 HG3 ARG A 11 1.491 6.996 5.775 1.00 0.00 H new ATOM 0 HD2 ARG A 11 1.594 8.811 7.523 1.00 0.00 H new ATOM 0 HD3 ARG A 11 1.971 9.975 6.268 1.00 0.00 H new ATOM 0 HE ARG A 11 -0.615 8.455 6.254 1.00 0.00 H new ATOM 0 HH11 ARG A 11 1.103 11.329 5.219 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -0.323 12.366 5.330 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -2.352 9.879 6.785 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -2.268 11.548 6.212 1.00 0.00 H new ATOM 188 N PHE A 12 3.225 6.514 3.093 1.00 0.00 N ATOM 189 CA PHE A 12 2.710 6.870 1.792 1.00 0.00 C ATOM 190 C PHE A 12 1.190 7.012 1.908 1.00 0.00 C ATOM 191 O PHE A 12 0.573 6.557 2.869 1.00 0.00 O ATOM 192 CB PHE A 12 3.111 5.778 0.794 1.00 0.00 C ATOM 193 CG PHE A 12 4.542 5.857 0.307 1.00 0.00 C ATOM 194 CD1 PHE A 12 5.599 5.388 1.111 1.00 0.00 C ATOM 195 CD2 PHE A 12 4.818 6.432 -0.946 1.00 0.00 C ATOM 196 CE1 PHE A 12 6.927 5.551 0.687 1.00 0.00 C ATOM 197 CE2 PHE A 12 6.144 6.600 -1.369 1.00 0.00 C ATOM 198 CZ PHE A 12 7.195 6.177 -0.541 1.00 0.00 C ATOM 0 H PHE A 12 2.715 5.738 3.515 1.00 0.00 H new ATOM 0 HA PHE A 12 3.119 7.816 1.436 1.00 0.00 H new ATOM 0 HB2 PHE A 12 2.954 4.805 1.259 1.00 0.00 H new ATOM 0 HB3 PHE A 12 2.445 5.831 -0.068 1.00 0.00 H new ATOM 0 HD1 PHE A 12 5.388 4.903 2.053 1.00 0.00 H new ATOM 0 HD2 PHE A 12 4.006 6.745 -1.585 1.00 0.00 H new ATOM 0 HE1 PHE A 12 7.740 5.196 1.303 1.00 0.00 H new ATOM 0 HE2 PHE A 12 6.355 7.052 -2.327 1.00 0.00 H new ATOM 0 HZ PHE A 12 8.218 6.334 -0.851 1.00 0.00 H new ATOM 208 N VAL A 13 0.553 7.609 0.910 1.00 0.00 N ATOM 209 CA VAL A 13 -0.902 7.721 0.812 1.00 0.00 C ATOM 210 C VAL A 13 -1.337 7.227 -0.571 1.00 0.00 C ATOM 211 O VAL A 13 -0.576 7.360 -1.535 1.00 0.00 O ATOM 212 CB VAL A 13 -1.351 9.144 1.199 1.00 0.00 C ATOM 213 CG1 VAL A 13 -0.697 10.213 0.331 1.00 0.00 C ATOM 214 CG2 VAL A 13 -2.867 9.353 1.165 1.00 0.00 C ATOM 0 H VAL A 13 1.042 8.040 0.126 1.00 0.00 H new ATOM 0 HA VAL A 13 -1.416 7.079 1.528 1.00 0.00 H new ATOM 0 HB VAL A 13 -1.020 9.249 2.232 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.045 11.198 0.643 1.00 0.00 H new ATOM 0 HG12 VAL A 13 0.386 10.159 0.442 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -0.964 10.047 -0.713 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -3.099 10.379 1.450 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.238 9.163 0.158 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -3.345 8.666 1.863 1.00 0.00 H new ATOM 224 N LEU A 14 -2.512 6.593 -0.674 1.00 0.00 N ATOM 225 CA LEU A 14 -3.075 6.131 -1.943 1.00 0.00 C ATOM 226 C LEU A 14 -3.666 7.344 -2.649 1.00 0.00 C ATOM 227 O LEU A 14 -4.840 7.677 -2.470 1.00 0.00 O ATOM 228 CB LEU A 14 -4.137 5.026 -1.765 1.00 0.00 C ATOM 229 CG LEU A 14 -4.777 4.546 -3.084 1.00 0.00 C ATOM 230 CD1 LEU A 14 -3.812 4.444 -4.270 1.00 0.00 C ATOM 231 CD2 LEU A 14 -5.400 3.167 -2.843 1.00 0.00 C ATOM 0 H LEU A 14 -3.102 6.386 0.132 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.282 5.677 -2.538 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.677 4.173 -1.266 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.923 5.396 -1.106 1.00 0.00 H new ATOM 0 HG LEU A 14 -5.513 5.302 -3.359 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.353 4.099 -5.151 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.378 5.423 -4.471 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.017 3.737 -4.033 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -5.859 2.809 -3.765 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -4.625 2.468 -2.528 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -6.160 3.242 -2.065 1.00 0.00 H new ATOM 243 N GLU A 15 -2.826 8.036 -3.402 1.00 0.00 N ATOM 244 CA GLU A 15 -3.193 9.259 -4.087 1.00 0.00 C ATOM 245 C GLU A 15 -4.145 8.933 -5.234 1.00 0.00 C ATOM 246 O GLU A 15 -5.225 9.517 -5.337 1.00 0.00 O ATOM 247 CB GLU A 15 -1.901 9.920 -4.569 1.00 0.00 C ATOM 248 CG GLU A 15 -2.019 11.431 -4.775 1.00 0.00 C ATOM 249 CD GLU A 15 -2.423 12.195 -3.510 1.00 0.00 C ATOM 250 OE1 GLU A 15 -1.978 11.843 -2.401 1.00 0.00 O ATOM 251 OE2 GLU A 15 -3.151 13.205 -3.641 1.00 0.00 O ATOM 0 H GLU A 15 -1.857 7.757 -3.555 1.00 0.00 H new ATOM 0 HA GLU A 15 -3.718 9.951 -3.429 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.111 9.722 -3.845 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.596 9.458 -5.508 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -1.064 11.816 -5.132 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -2.753 11.626 -5.557 1.00 0.00 H new ATOM 258 N SER A 16 -3.779 7.958 -6.071 1.00 0.00 N ATOM 259 CA SER A 16 -4.644 7.520 -7.144 1.00 0.00 C ATOM 260 C SER A 16 -4.468 6.032 -7.428 1.00 0.00 C ATOM 261 O SER A 16 -3.357 5.496 -7.480 1.00 0.00 O ATOM 262 CB SER A 16 -4.435 8.425 -8.365 1.00 0.00 C ATOM 263 OG SER A 16 -3.095 8.484 -8.825 1.00 0.00 O ATOM 0 H SER A 16 -2.888 7.464 -6.017 1.00 0.00 H new ATOM 0 HA SER A 16 -5.688 7.622 -6.849 1.00 0.00 H new ATOM 0 HB2 SER A 16 -5.070 8.072 -9.177 1.00 0.00 H new ATOM 0 HB3 SER A 16 -4.766 9.433 -8.116 1.00 0.00 H new ATOM 0 HG SER A 16 -3.042 9.077 -9.604 1.00 0.00 H new ATOM 269 N VAL A 17 -5.598 5.357 -7.608 1.00 0.00 N ATOM 270 CA VAL A 17 -5.699 3.964 -8.004 1.00 0.00 C ATOM 271 C VAL A 17 -5.434 3.897 -9.515 1.00 0.00 C ATOM 272 O VAL A 17 -5.453 4.925 -10.205 1.00 0.00 O ATOM 273 CB VAL A 17 -7.110 3.444 -7.615 1.00 0.00 C ATOM 274 CG1 VAL A 17 -7.194 1.917 -7.586 1.00 0.00 C ATOM 275 CG2 VAL A 17 -7.558 3.924 -6.221 1.00 0.00 C ATOM 0 H VAL A 17 -6.511 5.791 -7.474 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.971 3.329 -7.500 1.00 0.00 H new ATOM 0 HB VAL A 17 -7.759 3.850 -8.391 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -8.203 1.613 -7.308 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -6.955 1.521 -8.573 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -6.484 1.527 -6.857 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -8.551 3.530 -6.002 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -6.853 3.568 -5.470 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -7.588 5.013 -6.204 1.00 0.00 H new ATOM 285 N ASN A 18 -5.255 2.690 -10.057 1.00 0.00 N ATOM 286 CA ASN A 18 -5.309 2.436 -11.497 1.00 0.00 C ATOM 287 C ASN A 18 -6.582 3.002 -12.138 1.00 0.00 C ATOM 288 O ASN A 18 -6.540 3.431 -13.287 1.00 0.00 O ATOM 289 CB ASN A 18 -5.179 0.922 -11.755 1.00 0.00 C ATOM 290 CG ASN A 18 -5.907 0.447 -13.009 1.00 0.00 C ATOM 291 OD1 ASN A 18 -5.346 0.406 -14.097 1.00 0.00 O ATOM 292 ND2 ASN A 18 -7.155 0.044 -12.881 1.00 0.00 N ATOM 0 H ASN A 18 -5.067 1.855 -9.503 1.00 0.00 H new ATOM 0 HA ASN A 18 -4.473 2.954 -11.967 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -4.123 0.667 -11.841 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -5.569 0.381 -10.893 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -7.664 -0.306 -13.693 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -7.612 0.082 -11.970 1.00 0.00 H new ATOM 299 N GLY A 19 -7.701 2.975 -11.411 1.00 0.00 N ATOM 300 CA GLY A 19 -9.011 3.296 -11.950 1.00 0.00 C ATOM 301 C GLY A 19 -9.410 4.759 -11.774 1.00 0.00 C ATOM 302 O GLY A 19 -9.966 5.330 -12.710 1.00 0.00 O ATOM 0 H GLY A 19 -7.716 2.726 -10.422 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -9.026 3.050 -13.012 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -9.757 2.665 -11.466 1.00 0.00 H new ATOM 306 N LYS A 20 -9.208 5.344 -10.585 1.00 0.00 N ATOM 307 CA LYS A 20 -9.653 6.688 -10.194 1.00 0.00 C ATOM 308 C LYS A 20 -8.836 7.177 -8.989 1.00 0.00 C ATOM 309 O LYS A 20 -8.173 6.356 -8.352 1.00 0.00 O ATOM 310 CB LYS A 20 -11.157 6.670 -9.831 1.00 0.00 C ATOM 311 CG LYS A 20 -12.054 6.823 -11.071 1.00 0.00 C ATOM 312 CD LYS A 20 -13.136 7.894 -10.914 1.00 0.00 C ATOM 313 CE LYS A 20 -13.986 7.897 -12.189 1.00 0.00 C ATOM 314 NZ LYS A 20 -14.779 9.134 -12.349 1.00 0.00 N ATOM 0 H LYS A 20 -8.706 4.870 -9.834 1.00 0.00 H new ATOM 0 HA LYS A 20 -9.500 7.366 -11.034 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -11.396 5.735 -9.325 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -11.370 7.476 -9.129 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -11.432 7.070 -11.931 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -12.530 5.866 -11.286 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -13.756 7.684 -10.043 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -12.683 8.873 -10.755 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -13.334 7.775 -13.054 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -14.659 7.040 -12.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -15.333 9.080 -13.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -15.423 9.241 -11.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -14.140 9.953 -12.393 1.00 0.00 H new ATOM 328 N PRO A 21 -8.877 8.477 -8.642 1.00 0.00 N ATOM 329 CA PRO A 21 -8.431 8.961 -7.336 1.00 0.00 C ATOM 330 C PRO A 21 -9.298 8.386 -6.198 1.00 0.00 C ATOM 331 O PRO A 21 -10.219 7.592 -6.432 1.00 0.00 O ATOM 332 CB PRO A 21 -8.499 10.491 -7.434 1.00 0.00 C ATOM 333 CG PRO A 21 -9.641 10.724 -8.419 1.00 0.00 C ATOM 334 CD PRO A 21 -9.487 9.564 -9.400 1.00 0.00 C ATOM 0 HA PRO A 21 -7.419 8.636 -7.093 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -8.702 10.948 -6.466 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -7.562 10.914 -7.796 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -10.612 10.708 -7.923 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -9.554 11.689 -8.918 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -10.454 9.264 -9.804 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -8.862 9.849 -10.246 1.00 0.00 H new ATOM 342 N VAL A 22 -8.998 8.780 -4.958 1.00 0.00 N ATOM 343 CA VAL A 22 -9.800 8.458 -3.779 1.00 0.00 C ATOM 344 C VAL A 22 -10.027 9.748 -2.979 1.00 0.00 C ATOM 345 O VAL A 22 -9.224 10.685 -3.047 1.00 0.00 O ATOM 346 CB VAL A 22 -9.119 7.353 -2.928 1.00 0.00 C ATOM 347 CG1 VAL A 22 -10.122 6.748 -1.933 1.00 0.00 C ATOM 348 CG2 VAL A 22 -8.544 6.194 -3.761 1.00 0.00 C ATOM 0 H VAL A 22 -8.175 9.342 -4.743 1.00 0.00 H new ATOM 0 HA VAL A 22 -10.767 8.056 -4.082 1.00 0.00 H new ATOM 0 HB VAL A 22 -8.294 7.853 -2.420 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -9.629 5.975 -1.344 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -10.492 7.529 -1.269 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -10.957 6.310 -2.479 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -8.085 5.462 -3.097 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -9.346 5.719 -4.326 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -7.793 6.579 -4.451 1.00 0.00 H new ATOM 358 N THR A 23 -11.108 9.795 -2.201 1.00 0.00 N ATOM 359 CA THR A 23 -11.391 10.844 -1.231 1.00 0.00 C ATOM 360 C THR A 23 -12.174 10.168 -0.103 1.00 0.00 C ATOM 361 O THR A 23 -13.297 9.717 -0.345 1.00 0.00 O ATOM 362 CB THR A 23 -12.194 12.012 -1.867 1.00 0.00 C ATOM 363 OG1 THR A 23 -12.437 11.851 -3.258 1.00 0.00 O ATOM 364 CG2 THR A 23 -11.489 13.355 -1.688 1.00 0.00 C ATOM 0 H THR A 23 -11.833 9.078 -2.232 1.00 0.00 H new ATOM 0 HA THR A 23 -10.472 11.296 -0.858 1.00 0.00 H new ATOM 0 HB THR A 23 -13.145 11.995 -1.335 1.00 0.00 H new ATOM 0 HG1 THR A 23 -12.947 12.619 -3.592 1.00 0.00 H new ATOM 0 HG21 THR A 23 -12.085 14.143 -2.148 1.00 0.00 H new ATOM 0 HG22 THR A 23 -11.369 13.564 -0.625 1.00 0.00 H new ATOM 0 HG23 THR A 23 -10.509 13.318 -2.163 1.00 0.00 H new ATOM 372 N SER A 24 -11.619 10.053 1.105 1.00 0.00 N ATOM 373 CA SER A 24 -12.331 9.522 2.275 1.00 0.00 C ATOM 374 C SER A 24 -12.331 10.591 3.363 1.00 0.00 C ATOM 375 O SER A 24 -11.956 10.344 4.508 1.00 0.00 O ATOM 376 CB SER A 24 -11.730 8.200 2.750 1.00 0.00 C ATOM 377 OG SER A 24 -11.598 7.250 1.705 1.00 0.00 O ATOM 0 H SER A 24 -10.657 10.327 1.303 1.00 0.00 H new ATOM 0 HA SER A 24 -13.362 9.291 2.008 1.00 0.00 H new ATOM 0 HB2 SER A 24 -10.751 8.388 3.190 1.00 0.00 H new ATOM 0 HB3 SER A 24 -12.358 7.783 3.537 1.00 0.00 H new ATOM 0 HG SER A 24 -11.208 6.424 2.061 1.00 0.00 H new ATOM 383 N ASP A 25 -12.709 11.804 2.960 1.00 0.00 N ATOM 384 CA ASP A 25 -12.628 13.065 3.677 1.00 0.00 C ATOM 385 C ASP A 25 -11.223 13.292 4.217 1.00 0.00 C ATOM 386 O ASP A 25 -10.397 13.936 3.568 1.00 0.00 O ATOM 387 CB ASP A 25 -13.740 13.157 4.729 1.00 0.00 C ATOM 388 CG ASP A 25 -13.949 14.572 5.272 1.00 0.00 C ATOM 389 OD1 ASP A 25 -13.054 15.436 5.132 1.00 0.00 O ATOM 390 OD2 ASP A 25 -15.050 14.817 5.824 1.00 0.00 O ATOM 0 H ASP A 25 -13.118 11.935 2.035 1.00 0.00 H new ATOM 0 HA ASP A 25 -12.806 13.892 2.990 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -14.673 12.802 4.292 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -13.502 12.490 5.557 1.00 0.00 H new ATOM 395 N LYS A 26 -10.928 12.720 5.378 1.00 0.00 N ATOM 396 CA LYS A 26 -9.711 12.937 6.147 1.00 0.00 C ATOM 397 C LYS A 26 -9.070 11.603 6.562 1.00 0.00 C ATOM 398 O LYS A 26 -7.951 11.621 7.073 1.00 0.00 O ATOM 399 CB LYS A 26 -10.083 13.862 7.325 1.00 0.00 C ATOM 400 CG LYS A 26 -8.994 14.843 7.787 1.00 0.00 C ATOM 401 CD LYS A 26 -9.589 15.763 8.874 1.00 0.00 C ATOM 402 CE LYS A 26 -8.666 16.901 9.327 1.00 0.00 C ATOM 403 NZ LYS A 26 -7.410 16.405 9.921 1.00 0.00 N ATOM 0 H LYS A 26 -11.562 12.061 5.830 1.00 0.00 H new ATOM 0 HA LYS A 26 -8.938 13.426 5.555 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -10.965 14.437 7.044 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -10.366 13.239 8.174 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -8.136 14.298 8.181 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -8.636 15.435 6.945 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -10.517 16.194 8.498 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -9.848 15.157 9.742 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -8.434 17.538 8.474 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -9.189 17.521 10.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -6.821 17.212 10.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -7.627 15.818 10.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -6.896 15.835 9.219 1.00 0.00 H new ATOM 417 N ASN A 27 -9.703 10.450 6.283 1.00 0.00 N ATOM 418 CA ASN A 27 -9.207 9.093 6.568 1.00 0.00 C ATOM 419 C ASN A 27 -9.022 8.241 5.293 1.00 0.00 C ATOM 420 O ASN A 27 -9.610 7.163 5.165 1.00 0.00 O ATOM 421 CB ASN A 27 -10.069 8.387 7.639 1.00 0.00 C ATOM 422 CG ASN A 27 -11.549 8.262 7.279 1.00 0.00 C ATOM 423 OD1 ASN A 27 -12.014 7.260 6.735 1.00 0.00 O ATOM 424 ND2 ASN A 27 -12.316 9.283 7.615 1.00 0.00 N ATOM 0 H ASN A 27 -10.617 10.439 5.831 1.00 0.00 H new ATOM 0 HA ASN A 27 -8.208 9.205 6.988 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -9.665 7.390 7.813 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -9.981 8.935 8.577 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -13.318 9.253 7.425 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -11.907 10.102 8.065 1.00 0.00 H new ATOM 431 N PRO A 28 -8.195 8.680 4.326 1.00 0.00 N ATOM 432 CA PRO A 28 -8.000 7.991 3.048 1.00 0.00 C ATOM 433 C PRO A 28 -7.210 6.668 3.199 1.00 0.00 C ATOM 434 O PRO A 28 -6.627 6.432 4.266 1.00 0.00 O ATOM 435 CB PRO A 28 -7.268 9.031 2.199 1.00 0.00 C ATOM 436 CG PRO A 28 -6.386 9.752 3.205 1.00 0.00 C ATOM 437 CD PRO A 28 -7.329 9.850 4.396 1.00 0.00 C ATOM 0 HA PRO A 28 -8.937 7.667 2.594 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -6.678 8.563 1.411 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -7.964 9.715 1.713 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -5.482 9.190 3.439 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -6.068 10.732 2.848 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -6.772 9.867 5.333 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -7.913 10.770 4.356 1.00 0.00 H new ATOM 445 N PRO A 29 -7.162 5.805 2.156 1.00 0.00 N ATOM 446 CA PRO A 29 -6.426 4.534 2.186 1.00 0.00 C ATOM 447 C PRO A 29 -4.897 4.707 2.113 1.00 0.00 C ATOM 448 O PRO A 29 -4.209 4.195 1.223 1.00 0.00 O ATOM 449 CB PRO A 29 -6.976 3.714 1.008 1.00 0.00 C ATOM 450 CG PRO A 29 -7.643 4.713 0.072 1.00 0.00 C ATOM 451 CD PRO A 29 -7.986 5.906 0.956 1.00 0.00 C ATOM 0 HA PRO A 29 -6.579 4.027 3.139 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -6.175 3.178 0.499 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -7.690 2.967 1.353 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -6.975 5.001 -0.740 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -8.537 4.290 -0.386 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -7.790 6.842 0.432 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -9.045 5.901 1.215 1.00 0.00 H new ATOM 459 N GLU A 30 -4.317 5.346 3.122 1.00 0.00 N ATOM 460 CA GLU A 30 -2.877 5.508 3.264 1.00 0.00 C ATOM 461 C GLU A 30 -2.193 4.186 3.648 1.00 0.00 C ATOM 462 O GLU A 30 -2.865 3.189 3.926 1.00 0.00 O ATOM 463 CB GLU A 30 -2.588 6.687 4.210 1.00 0.00 C ATOM 464 CG GLU A 30 -3.165 6.523 5.616 1.00 0.00 C ATOM 465 CD GLU A 30 -3.263 7.868 6.333 1.00 0.00 C ATOM 466 OE1 GLU A 30 -4.093 8.729 5.971 1.00 0.00 O ATOM 467 OE2 GLU A 30 -2.504 8.098 7.302 1.00 0.00 O ATOM 0 H GLU A 30 -4.847 5.775 3.880 1.00 0.00 H new ATOM 0 HA GLU A 30 -2.431 5.765 2.303 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -1.509 6.820 4.286 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -2.991 7.599 3.769 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -4.153 6.067 5.555 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -2.536 5.845 6.193 1.00 0.00 H new ATOM 474 N ILE A 31 -0.860 4.134 3.602 1.00 0.00 N ATOM 475 CA ILE A 31 -0.077 2.945 3.926 1.00 0.00 C ATOM 476 C ILE A 31 1.199 3.401 4.635 1.00 0.00 C ATOM 477 O ILE A 31 1.746 4.452 4.307 1.00 0.00 O ATOM 478 CB ILE A 31 0.172 2.111 2.637 1.00 0.00 C ATOM 479 CG1 ILE A 31 0.625 0.686 3.011 1.00 0.00 C ATOM 480 CG2 ILE A 31 1.133 2.762 1.613 1.00 0.00 C ATOM 481 CD1 ILE A 31 0.623 -0.272 1.819 1.00 0.00 C ATOM 0 H ILE A 31 -0.286 4.933 3.333 1.00 0.00 H new ATOM 0 HA ILE A 31 -0.607 2.278 4.606 1.00 0.00 H new ATOM 0 HB ILE A 31 -0.785 2.070 2.117 1.00 0.00 H new ATOM 0 HG12 ILE A 31 1.628 0.729 3.434 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -0.032 0.293 3.787 1.00 0.00 H new ATOM 0 HG21 ILE A 31 1.243 2.106 0.750 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.726 3.721 1.291 1.00 0.00 H new ATOM 0 HG23 ILE A 31 2.107 2.918 2.077 1.00 0.00 H new ATOM 0 HD11 ILE A 31 0.951 -1.259 2.145 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -0.385 -0.341 1.410 1.00 0.00 H new ATOM 0 HD13 ILE A 31 1.301 0.101 1.052 1.00 0.00 H new ATOM 493 N SER A 32 1.719 2.626 5.580 1.00 0.00 N ATOM 494 CA SER A 32 3.026 2.898 6.158 1.00 0.00 C ATOM 495 C SER A 32 3.798 1.603 6.305 1.00 0.00 C ATOM 496 O SER A 32 3.219 0.513 6.393 1.00 0.00 O ATOM 497 CB SER A 32 2.889 3.670 7.478 1.00 0.00 C ATOM 498 OG SER A 32 1.939 3.079 8.350 1.00 0.00 O ATOM 0 H SER A 32 1.253 1.803 5.962 1.00 0.00 H new ATOM 0 HA SER A 32 3.597 3.542 5.489 1.00 0.00 H new ATOM 0 HB2 SER A 32 3.858 3.712 7.975 1.00 0.00 H new ATOM 0 HB3 SER A 32 2.595 4.698 7.267 1.00 0.00 H new ATOM 0 HG SER A 32 1.885 3.601 9.178 1.00 0.00 H new ATOM 504 N PHE A 33 5.115 1.759 6.361 1.00 0.00 N ATOM 505 CA PHE A 33 6.060 0.686 6.547 1.00 0.00 C ATOM 506 C PHE A 33 6.865 1.007 7.797 1.00 0.00 C ATOM 507 O PHE A 33 6.979 2.172 8.188 1.00 0.00 O ATOM 508 CB PHE A 33 6.933 0.559 5.292 1.00 0.00 C ATOM 509 CG PHE A 33 6.130 0.316 4.027 1.00 0.00 C ATOM 510 CD1 PHE A 33 5.634 -0.971 3.762 1.00 0.00 C ATOM 511 CD2 PHE A 33 5.839 1.375 3.144 1.00 0.00 C ATOM 512 CE1 PHE A 33 4.856 -1.202 2.611 1.00 0.00 C ATOM 513 CE2 PHE A 33 5.053 1.144 1.998 1.00 0.00 C ATOM 514 CZ PHE A 33 4.563 -0.148 1.730 1.00 0.00 C ATOM 0 H PHE A 33 5.561 2.672 6.274 1.00 0.00 H new ATOM 0 HA PHE A 33 5.571 -0.278 6.685 1.00 0.00 H new ATOM 0 HB2 PHE A 33 7.521 1.469 5.172 1.00 0.00 H new ATOM 0 HB3 PHE A 33 7.639 -0.260 5.430 1.00 0.00 H new ATOM 0 HD1 PHE A 33 5.849 -1.783 4.441 1.00 0.00 H new ATOM 0 HD2 PHE A 33 6.219 2.365 3.346 1.00 0.00 H new ATOM 0 HE1 PHE A 33 4.483 -2.194 2.405 1.00 0.00 H new ATOM 0 HE2 PHE A 33 4.826 1.958 1.325 1.00 0.00 H new ATOM 0 HZ PHE A 33 3.964 -0.328 0.850 1.00 0.00 H new ATOM 524 N GLY A 34 7.427 -0.010 8.436 1.00 0.00 N ATOM 525 CA GLY A 34 8.273 0.147 9.609 1.00 0.00 C ATOM 526 C GLY A 34 9.294 -0.973 9.643 1.00 0.00 C ATOM 527 O GLY A 34 9.443 -1.688 8.650 1.00 0.00 O ATOM 0 H GLY A 34 7.306 -0.981 8.149 1.00 0.00 H new ATOM 0 HA2 GLY A 34 8.777 1.113 9.582 1.00 0.00 H new ATOM 0 HA3 GLY A 34 7.666 0.129 10.514 1.00 0.00 H new ATOM 531 N GLU A 35 9.939 -1.154 10.796 1.00 0.00 N ATOM 532 CA GLU A 35 10.927 -2.187 11.091 1.00 0.00 C ATOM 533 C GLU A 35 10.487 -3.549 10.568 1.00 0.00 C ATOM 534 O GLU A 35 9.296 -3.831 10.400 1.00 0.00 O ATOM 535 CB GLU A 35 11.130 -2.300 12.617 1.00 0.00 C ATOM 536 CG GLU A 35 12.435 -1.676 13.121 1.00 0.00 C ATOM 537 CD GLU A 35 13.256 -2.649 13.969 1.00 0.00 C ATOM 538 OE1 GLU A 35 12.760 -3.165 14.998 1.00 0.00 O ATOM 539 OE2 GLU A 35 14.404 -2.954 13.575 1.00 0.00 O ATOM 0 H GLU A 35 9.774 -0.544 11.597 1.00 0.00 H new ATOM 0 HA GLU A 35 11.855 -1.899 10.598 1.00 0.00 H new ATOM 0 HB2 GLU A 35 10.291 -1.820 13.121 1.00 0.00 H new ATOM 0 HB3 GLU A 35 11.110 -3.353 12.899 1.00 0.00 H new ATOM 0 HG2 GLU A 35 13.031 -1.348 12.269 1.00 0.00 H new ATOM 0 HG3 GLU A 35 12.206 -0.788 13.710 1.00 0.00 H new ATOM 546 N LYS A 36 11.475 -4.406 10.306 1.00 0.00 N ATOM 547 CA LYS A 36 11.306 -5.690 9.641 1.00 0.00 C ATOM 548 C LYS A 36 10.630 -5.552 8.273 1.00 0.00 C ATOM 549 O LYS A 36 10.225 -6.570 7.713 1.00 0.00 O ATOM 550 CB LYS A 36 10.579 -6.686 10.562 1.00 0.00 C ATOM 551 CG LYS A 36 11.189 -6.747 11.975 1.00 0.00 C ATOM 552 CD LYS A 36 10.534 -7.857 12.802 1.00 0.00 C ATOM 553 CE LYS A 36 11.023 -9.228 12.331 1.00 0.00 C ATOM 554 NZ LYS A 36 10.294 -10.334 12.973 1.00 0.00 N ATOM 0 H LYS A 36 12.444 -4.215 10.561 1.00 0.00 H new ATOM 0 HA LYS A 36 12.298 -6.094 9.439 1.00 0.00 H new ATOM 0 HB2 LYS A 36 9.529 -6.405 10.637 1.00 0.00 H new ATOM 0 HB3 LYS A 36 10.612 -7.679 10.114 1.00 0.00 H new ATOM 0 HG2 LYS A 36 12.262 -6.924 11.905 1.00 0.00 H new ATOM 0 HG3 LYS A 36 11.056 -5.788 12.475 1.00 0.00 H new ATOM 0 HD2 LYS A 36 10.771 -7.722 13.857 1.00 0.00 H new ATOM 0 HD3 LYS A 36 9.450 -7.798 12.708 1.00 0.00 H new ATOM 0 HE2 LYS A 36 10.908 -9.300 11.249 1.00 0.00 H new ATOM 0 HE3 LYS A 36 12.087 -9.325 12.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 10.661 -11.242 12.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 10.424 -10.283 14.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 9.281 -10.259 12.748 1.00 0.00 H new ATOM 568 N MET A 37 10.531 -4.341 7.714 1.00 0.00 N ATOM 569 CA MET A 37 9.827 -4.052 6.471 1.00 0.00 C ATOM 570 C MET A 37 8.339 -4.442 6.578 1.00 0.00 C ATOM 571 O MET A 37 7.690 -4.746 5.577 1.00 0.00 O ATOM 572 CB MET A 37 10.602 -4.694 5.300 1.00 0.00 C ATOM 573 CG MET A 37 10.846 -3.763 4.106 1.00 0.00 C ATOM 574 SD MET A 37 9.787 -4.070 2.676 1.00 0.00 S ATOM 575 CE MET A 37 8.488 -2.858 2.966 1.00 0.00 C ATOM 0 H MET A 37 10.954 -3.512 8.132 1.00 0.00 H new ATOM 0 HA MET A 37 9.802 -2.981 6.269 1.00 0.00 H new ATOM 0 HB2 MET A 37 11.564 -5.048 5.670 1.00 0.00 H new ATOM 0 HB3 MET A 37 10.052 -5.569 4.954 1.00 0.00 H new ATOM 0 HG2 MET A 37 10.703 -2.733 4.432 1.00 0.00 H new ATOM 0 HG3 MET A 37 11.887 -3.858 3.796 1.00 0.00 H new ATOM 0 HE1 MET A 37 7.581 -3.166 2.446 1.00 0.00 H new ATOM 0 HE2 MET A 37 8.288 -2.788 4.035 1.00 0.00 H new ATOM 0 HE3 MET A 37 8.808 -1.885 2.592 1.00 0.00 H new ATOM 585 N MET A 38 7.766 -4.458 7.790 1.00 0.00 N ATOM 586 CA MET A 38 6.353 -4.663 8.006 1.00 0.00 C ATOM 587 C MET A 38 5.522 -3.564 7.357 1.00 0.00 C ATOM 588 O MET A 38 6.021 -2.482 7.052 1.00 0.00 O ATOM 589 CB MET A 38 6.072 -4.687 9.511 1.00 0.00 C ATOM 590 CG MET A 38 5.359 -5.967 9.881 1.00 0.00 C ATOM 591 SD MET A 38 4.371 -5.846 11.376 1.00 0.00 S ATOM 592 CE MET A 38 3.345 -7.252 10.928 1.00 0.00 C ATOM 0 H MET A 38 8.293 -4.325 8.653 1.00 0.00 H new ATOM 0 HA MET A 38 6.074 -5.613 7.550 1.00 0.00 H new ATOM 0 HB2 MET A 38 7.007 -4.608 10.066 1.00 0.00 H new ATOM 0 HB3 MET A 38 5.462 -3.827 9.790 1.00 0.00 H new ATOM 0 HG2 MET A 38 4.714 -6.264 9.054 1.00 0.00 H new ATOM 0 HG3 MET A 38 6.097 -6.758 10.009 1.00 0.00 H new ATOM 0 HE1 MET A 38 2.790 -7.591 11.803 1.00 0.00 H new ATOM 0 HE2 MET A 38 2.645 -6.957 10.146 1.00 0.00 H new ATOM 0 HE3 MET A 38 3.977 -8.062 10.563 1.00 0.00 H new ATOM 602 N ILE A 39 4.227 -3.841 7.230 1.00 0.00 N ATOM 603 CA ILE A 39 3.259 -3.038 6.506 1.00 0.00 C ATOM 604 C ILE A 39 2.031 -2.912 7.406 1.00 0.00 C ATOM 605 O ILE A 39 1.590 -3.921 7.971 1.00 0.00 O ATOM 606 CB ILE A 39 2.867 -3.744 5.180 1.00 0.00 C ATOM 607 CG1 ILE A 39 4.053 -4.385 4.412 1.00 0.00 C ATOM 608 CG2 ILE A 39 2.077 -2.751 4.304 1.00 0.00 C ATOM 609 CD1 ILE A 39 3.643 -5.225 3.197 1.00 0.00 C ATOM 0 H ILE A 39 3.810 -4.671 7.651 1.00 0.00 H new ATOM 0 HA ILE A 39 3.671 -2.059 6.259 1.00 0.00 H new ATOM 0 HB ILE A 39 2.240 -4.597 5.440 1.00 0.00 H new ATOM 0 HG12 ILE A 39 4.725 -3.594 4.081 1.00 0.00 H new ATOM 0 HG13 ILE A 39 4.617 -5.015 5.100 1.00 0.00 H new ATOM 0 HG21 ILE A 39 1.795 -3.235 3.369 1.00 0.00 H new ATOM 0 HG22 ILE A 39 1.178 -2.434 4.833 1.00 0.00 H new ATOM 0 HG23 ILE A 39 2.698 -1.881 4.090 1.00 0.00 H new ATOM 0 HD11 ILE A 39 4.534 -5.634 2.720 1.00 0.00 H new ATOM 0 HD12 ILE A 39 2.997 -6.041 3.520 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.107 -4.598 2.485 1.00 0.00 H new ATOM 621 N SER A 40 1.421 -1.729 7.461 1.00 0.00 N ATOM 622 CA SER A 40 0.018 -1.583 7.836 1.00 0.00 C ATOM 623 C SER A 40 -0.664 -0.593 6.893 1.00 0.00 C ATOM 624 O SER A 40 -0.018 0.308 6.351 1.00 0.00 O ATOM 625 CB SER A 40 -0.114 -1.122 9.290 1.00 0.00 C ATOM 626 OG SER A 40 0.286 -2.161 10.164 1.00 0.00 O ATOM 0 H SER A 40 1.886 -0.847 7.247 1.00 0.00 H new ATOM 0 HA SER A 40 -0.472 -2.553 7.750 1.00 0.00 H new ATOM 0 HB2 SER A 40 0.501 -0.238 9.457 1.00 0.00 H new ATOM 0 HB3 SER A 40 -1.145 -0.837 9.498 1.00 0.00 H new ATOM 0 HG SER A 40 -0.438 -2.817 10.245 1.00 0.00 H new ATOM 632 N GLY A 41 -1.973 -0.756 6.720 1.00 0.00 N ATOM 633 CA GLY A 41 -2.829 0.162 5.995 1.00 0.00 C ATOM 634 C GLY A 41 -4.297 -0.126 6.303 1.00 0.00 C ATOM 635 O GLY A 41 -4.644 -0.965 7.147 1.00 0.00 O ATOM 0 H GLY A 41 -2.478 -1.559 7.095 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.588 1.189 6.270 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.650 0.068 4.924 1.00 0.00 H new ATOM 639 N SER A 42 -5.179 0.592 5.617 1.00 0.00 N ATOM 640 CA SER A 42 -6.613 0.448 5.718 1.00 0.00 C ATOM 641 C SER A 42 -7.274 0.842 4.394 1.00 0.00 C ATOM 642 O SER A 42 -7.670 1.992 4.224 1.00 0.00 O ATOM 643 CB SER A 42 -7.115 1.253 6.932 1.00 0.00 C ATOM 644 OG SER A 42 -6.647 2.601 6.959 1.00 0.00 O ATOM 0 H SER A 42 -4.898 1.314 4.954 1.00 0.00 H new ATOM 0 HA SER A 42 -6.891 -0.592 5.891 1.00 0.00 H new ATOM 0 HB2 SER A 42 -8.205 1.256 6.929 1.00 0.00 H new ATOM 0 HB3 SER A 42 -6.800 0.750 7.846 1.00 0.00 H new ATOM 0 HG SER A 42 -6.770 3.008 6.076 1.00 0.00 H new ATOM 650 N MET A 43 -7.403 -0.118 3.466 1.00 0.00 N ATOM 651 CA MET A 43 -8.208 0.071 2.262 1.00 0.00 C ATOM 652 C MET A 43 -9.652 0.329 2.682 1.00 0.00 C ATOM 653 O MET A 43 -10.156 1.441 2.548 1.00 0.00 O ATOM 654 CB MET A 43 -8.092 -1.132 1.315 1.00 0.00 C ATOM 655 CG MET A 43 -6.763 -1.197 0.554 1.00 0.00 C ATOM 656 SD MET A 43 -6.289 0.276 -0.396 1.00 0.00 S ATOM 657 CE MET A 43 -5.233 -0.473 -1.666 1.00 0.00 C ATOM 0 H MET A 43 -6.957 -1.033 3.532 1.00 0.00 H new ATOM 0 HA MET A 43 -7.838 0.931 1.704 1.00 0.00 H new ATOM 0 HB2 MET A 43 -8.215 -2.049 1.891 1.00 0.00 H new ATOM 0 HB3 MET A 43 -8.910 -1.096 0.596 1.00 0.00 H new ATOM 0 HG2 MET A 43 -5.971 -1.407 1.272 1.00 0.00 H new ATOM 0 HG3 MET A 43 -6.805 -2.044 -0.131 1.00 0.00 H new ATOM 0 HE1 MET A 43 -4.961 0.281 -2.404 1.00 0.00 H new ATOM 0 HE2 MET A 43 -4.330 -0.868 -1.201 1.00 0.00 H new ATOM 0 HE3 MET A 43 -5.773 -1.283 -2.157 1.00 0.00 H new ATOM 667 N CYS A 44 -10.291 -0.684 3.259 1.00 0.00 N ATOM 668 CA CYS A 44 -11.525 -0.538 4.001 1.00 0.00 C ATOM 669 C CYS A 44 -11.391 -1.419 5.240 1.00 0.00 C ATOM 670 O CYS A 44 -11.444 -0.929 6.367 1.00 0.00 O ATOM 671 CB CYS A 44 -12.702 -0.933 3.103 1.00 0.00 C ATOM 672 SG CYS A 44 -14.307 -1.068 3.930 1.00 0.00 S ATOM 0 H CYS A 44 -9.954 -1.646 3.219 1.00 0.00 H new ATOM 0 HA CYS A 44 -11.714 0.488 4.316 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -12.787 -0.199 2.302 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -12.473 -1.890 2.635 1.00 0.00 H new ATOM 677 N ASN A 45 -11.139 -2.715 5.043 1.00 0.00 N ATOM 678 CA ASN A 45 -11.199 -3.793 6.032 1.00 0.00 C ATOM 679 C ASN A 45 -10.027 -3.870 7.003 1.00 0.00 C ATOM 680 O ASN A 45 -9.958 -4.823 7.782 1.00 0.00 O ATOM 681 CB ASN A 45 -11.367 -5.130 5.291 1.00 0.00 C ATOM 682 CG ASN A 45 -12.845 -5.386 5.130 1.00 0.00 C ATOM 683 OD1 ASN A 45 -13.401 -6.142 5.896 1.00 0.00 O ATOM 684 ND2 ASN A 45 -13.550 -4.671 4.285 1.00 0.00 N ATOM 0 H ASN A 45 -10.869 -3.063 4.123 1.00 0.00 H new ATOM 0 HA ASN A 45 -12.055 -3.568 6.668 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -10.878 -5.091 4.318 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -10.898 -5.939 5.851 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -14.567 -4.752 4.273 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -13.081 -4.035 3.640 1.00 0.00 H new ATOM 691 N ARG A 46 -9.133 -2.880 7.004 1.00 0.00 N ATOM 692 CA ARG A 46 -7.744 -2.956 7.451 1.00 0.00 C ATOM 693 C ARG A 46 -6.980 -4.084 6.776 1.00 0.00 C ATOM 694 O ARG A 46 -7.533 -5.038 6.233 1.00 0.00 O ATOM 695 CB ARG A 46 -7.645 -3.055 8.976 1.00 0.00 C ATOM 696 CG ARG A 46 -7.951 -1.729 9.675 1.00 0.00 C ATOM 697 CD ARG A 46 -6.867 -1.308 10.670 1.00 0.00 C ATOM 698 NE ARG A 46 -6.750 -2.207 11.829 1.00 0.00 N ATOM 699 CZ ARG A 46 -5.759 -2.157 12.727 1.00 0.00 C ATOM 700 NH1 ARG A 46 -4.759 -1.290 12.623 1.00 0.00 N ATOM 701 NH2 ARG A 46 -5.758 -3.007 13.741 1.00 0.00 N ATOM 0 H ARG A 46 -9.376 -1.947 6.672 1.00 0.00 H new ATOM 0 HA ARG A 46 -7.270 -2.023 7.147 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -8.338 -3.817 9.332 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -6.642 -3.383 9.250 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -8.068 -0.948 8.924 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -8.903 -1.813 10.199 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -5.908 -1.268 10.154 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -7.082 -0.299 11.023 1.00 0.00 H new ATOM 0 HE ARG A 46 -7.472 -2.916 11.956 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -4.731 -0.636 11.841 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -4.019 -1.278 13.325 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -6.508 -3.692 13.833 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -5.007 -2.977 14.431 1.00 0.00 H new ATOM 715 N PHE A 47 -5.668 -3.939 6.825 1.00 0.00 N ATOM 716 CA PHE A 47 -4.724 -5.003 6.546 1.00 0.00 C ATOM 717 C PHE A 47 -3.398 -4.624 7.188 1.00 0.00 C ATOM 718 O PHE A 47 -3.062 -3.445 7.340 1.00 0.00 O ATOM 719 CB PHE A 47 -4.545 -5.223 5.032 1.00 0.00 C ATOM 720 CG PHE A 47 -3.914 -4.042 4.319 1.00 0.00 C ATOM 721 CD1 PHE A 47 -4.713 -2.971 3.874 1.00 0.00 C ATOM 722 CD2 PHE A 47 -2.515 -3.969 4.189 1.00 0.00 C ATOM 723 CE1 PHE A 47 -4.113 -1.862 3.258 1.00 0.00 C ATOM 724 CE2 PHE A 47 -1.918 -2.828 3.629 1.00 0.00 C ATOM 725 CZ PHE A 47 -2.718 -1.792 3.124 1.00 0.00 C ATOM 0 H PHE A 47 -5.220 -3.055 7.066 1.00 0.00 H new ATOM 0 HA PHE A 47 -5.099 -5.940 6.957 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -3.927 -6.106 4.872 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -5.518 -5.429 4.585 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -5.784 -3.003 4.006 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -1.899 -4.792 4.520 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -4.729 -1.057 2.885 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -0.842 -2.748 3.587 1.00 0.00 H new ATOM 0 HZ PHE A 47 -2.262 -0.944 2.634 1.00 0.00 H new ATOM 735 N SER A 48 -2.624 -5.639 7.522 1.00 0.00 N ATOM 736 CA SER A 48 -1.294 -5.538 8.075 1.00 0.00 C ATOM 737 C SER A 48 -0.566 -6.822 7.708 1.00 0.00 C ATOM 738 O SER A 48 -1.233 -7.841 7.506 1.00 0.00 O ATOM 739 CB SER A 48 -1.431 -5.444 9.591 1.00 0.00 C ATOM 740 OG SER A 48 -1.648 -4.116 10.035 1.00 0.00 O ATOM 0 H SER A 48 -2.926 -6.607 7.407 1.00 0.00 H new ATOM 0 HA SER A 48 -0.752 -4.670 7.699 1.00 0.00 H new ATOM 0 HB2 SER A 48 -2.259 -6.073 9.917 1.00 0.00 H new ATOM 0 HB3 SER A 48 -0.529 -5.837 10.059 1.00 0.00 H new ATOM 0 HG SER A 48 -2.130 -3.615 9.344 1.00 0.00 H new ATOM 746 N GLY A 49 0.768 -6.816 7.674 1.00 0.00 N ATOM 747 CA GLY A 49 1.517 -8.052 7.587 1.00 0.00 C ATOM 748 C GLY A 49 3.005 -7.783 7.429 1.00 0.00 C ATOM 749 O GLY A 49 3.415 -6.672 7.089 1.00 0.00 O ATOM 0 H GLY A 49 1.340 -5.972 7.706 1.00 0.00 H new ATOM 0 HA2 GLY A 49 1.346 -8.648 8.483 1.00 0.00 H new ATOM 0 HA3 GLY A 49 1.159 -8.639 6.741 1.00 0.00 H new ATOM 753 N GLU A 50 3.822 -8.806 7.669 1.00 0.00 N ATOM 754 CA GLU A 50 5.246 -8.817 7.422 1.00 0.00 C ATOM 755 C GLU A 50 5.492 -8.693 5.911 1.00 0.00 C ATOM 756 O GLU A 50 5.324 -9.667 5.164 1.00 0.00 O ATOM 757 CB GLU A 50 5.821 -10.110 8.024 1.00 0.00 C ATOM 758 CG GLU A 50 7.343 -10.101 7.918 1.00 0.00 C ATOM 759 CD GLU A 50 7.986 -11.426 8.328 1.00 0.00 C ATOM 760 OE1 GLU A 50 7.861 -11.818 9.510 1.00 0.00 O ATOM 761 OE2 GLU A 50 8.684 -12.036 7.488 1.00 0.00 O ATOM 0 H GLU A 50 3.485 -9.686 8.059 1.00 0.00 H new ATOM 0 HA GLU A 50 5.751 -7.974 7.894 1.00 0.00 H new ATOM 0 HB2 GLU A 50 5.521 -10.200 9.068 1.00 0.00 H new ATOM 0 HB3 GLU A 50 5.417 -10.976 7.500 1.00 0.00 H new ATOM 0 HG2 GLU A 50 7.627 -9.870 6.892 1.00 0.00 H new ATOM 0 HG3 GLU A 50 7.739 -9.303 8.546 1.00 0.00 H new ATOM 768 N GLY A 51 5.820 -7.489 5.453 1.00 0.00 N ATOM 769 CA GLY A 51 6.464 -7.264 4.164 1.00 0.00 C ATOM 770 C GLY A 51 7.923 -7.713 4.182 1.00 0.00 C ATOM 771 O GLY A 51 8.447 -8.176 5.201 1.00 0.00 O ATOM 0 H GLY A 51 5.643 -6.630 5.974 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.925 -7.806 3.387 1.00 0.00 H new ATOM 0 HA3 GLY A 51 6.411 -6.205 3.909 1.00 0.00 H new ATOM 775 N LYS A 52 8.585 -7.597 3.032 1.00 0.00 N ATOM 776 CA LYS A 52 10.018 -7.794 2.875 1.00 0.00 C ATOM 777 C LYS A 52 10.412 -7.157 1.549 1.00 0.00 C ATOM 778 O LYS A 52 9.587 -7.135 0.636 1.00 0.00 O ATOM 779 CB LYS A 52 10.335 -9.301 2.872 1.00 0.00 C ATOM 780 CG LYS A 52 11.791 -9.593 3.257 1.00 0.00 C ATOM 781 CD LYS A 52 12.034 -11.106 3.399 1.00 0.00 C ATOM 782 CE LYS A 52 13.278 -11.384 4.255 1.00 0.00 C ATOM 783 NZ LYS A 52 12.958 -11.486 5.697 1.00 0.00 N ATOM 0 H LYS A 52 8.120 -7.355 2.157 1.00 0.00 H new ATOM 0 HA LYS A 52 10.575 -7.339 3.694 1.00 0.00 H new ATOM 0 HB2 LYS A 52 9.669 -9.811 3.568 1.00 0.00 H new ATOM 0 HB3 LYS A 52 10.135 -9.710 1.882 1.00 0.00 H new ATOM 0 HG2 LYS A 52 12.460 -9.184 2.500 1.00 0.00 H new ATOM 0 HG3 LYS A 52 12.029 -9.094 4.196 1.00 0.00 H new ATOM 0 HD2 LYS A 52 11.162 -11.577 3.853 1.00 0.00 H new ATOM 0 HD3 LYS A 52 12.159 -11.552 2.412 1.00 0.00 H new ATOM 0 HE2 LYS A 52 13.745 -12.311 3.923 1.00 0.00 H new ATOM 0 HE3 LYS A 52 14.006 -10.588 4.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 13.829 -11.674 6.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 12.537 -10.593 6.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 12.283 -12.263 5.849 1.00 0.00 H new ATOM 797 N LEU A 53 11.652 -6.684 1.433 1.00 0.00 N ATOM 798 CA LEU A 53 12.215 -6.168 0.196 1.00 0.00 C ATOM 799 C LEU A 53 13.695 -6.502 0.196 1.00 0.00 C ATOM 800 O LEU A 53 14.436 -6.059 1.077 1.00 0.00 O ATOM 801 CB LEU A 53 12.008 -4.648 0.079 1.00 0.00 C ATOM 802 CG LEU A 53 12.755 -4.003 -1.108 1.00 0.00 C ATOM 803 CD1 LEU A 53 12.342 -4.599 -2.460 1.00 0.00 C ATOM 804 CD2 LEU A 53 12.465 -2.505 -1.120 1.00 0.00 C ATOM 0 H LEU A 53 12.304 -6.650 2.217 1.00 0.00 H new ATOM 0 HA LEU A 53 11.715 -6.623 -0.659 1.00 0.00 H new ATOM 0 HB2 LEU A 53 10.942 -4.443 -0.021 1.00 0.00 H new ATOM 0 HB3 LEU A 53 12.338 -4.174 1.004 1.00 0.00 H new ATOM 0 HG LEU A 53 13.818 -4.201 -0.973 1.00 0.00 H new ATOM 0 HD11 LEU A 53 12.898 -4.109 -3.259 1.00 0.00 H new ATOM 0 HD12 LEU A 53 12.560 -5.667 -2.469 1.00 0.00 H new ATOM 0 HD13 LEU A 53 11.274 -4.445 -2.614 1.00 0.00 H new ATOM 0 HD21 LEU A 53 12.988 -2.040 -1.955 1.00 0.00 H new ATOM 0 HD22 LEU A 53 11.393 -2.343 -1.228 1.00 0.00 H new ATOM 0 HD23 LEU A 53 12.807 -2.061 -0.185 1.00 0.00 H new ATOM 816 N SER A 54 14.123 -7.278 -0.796 1.00 0.00 N ATOM 817 CA SER A 54 15.532 -7.469 -1.106 1.00 0.00 C ATOM 818 C SER A 54 15.713 -7.927 -2.566 1.00 0.00 C ATOM 819 O SER A 54 16.768 -8.457 -2.925 1.00 0.00 O ATOM 820 CB SER A 54 16.123 -8.455 -0.084 1.00 0.00 C ATOM 821 OG SER A 54 17.516 -8.248 0.049 1.00 0.00 O ATOM 0 H SER A 54 13.494 -7.795 -1.411 1.00 0.00 H new ATOM 0 HA SER A 54 16.076 -6.528 -1.024 1.00 0.00 H new ATOM 0 HB2 SER A 54 15.635 -8.324 0.882 1.00 0.00 H new ATOM 0 HB3 SER A 54 15.929 -9.479 -0.403 1.00 0.00 H new ATOM 0 HG SER A 54 17.880 -8.881 0.703 1.00 0.00 H new ATOM 827 N ASN A 55 14.682 -7.803 -3.409 1.00 0.00 N ATOM 828 CA ASN A 55 14.618 -8.379 -4.755 1.00 0.00 C ATOM 829 C ASN A 55 13.660 -7.590 -5.661 1.00 0.00 C ATOM 830 O ASN A 55 13.061 -8.162 -6.569 1.00 0.00 O ATOM 831 CB ASN A 55 14.233 -9.875 -4.691 1.00 0.00 C ATOM 832 CG ASN A 55 12.832 -10.153 -4.150 1.00 0.00 C ATOM 833 OD1 ASN A 55 12.489 -9.675 -3.068 1.00 0.00 O ATOM 834 ND2 ASN A 55 12.047 -10.977 -4.827 1.00 0.00 N ATOM 0 H ASN A 55 13.841 -7.281 -3.164 1.00 0.00 H new ATOM 0 HA ASN A 55 15.611 -8.306 -5.199 1.00 0.00 H new ATOM 0 HB2 ASN A 55 14.311 -10.299 -5.692 1.00 0.00 H new ATOM 0 HB3 ASN A 55 14.959 -10.396 -4.066 1.00 0.00 H new ATOM 0 HD21 ASN A 55 11.132 -11.231 -4.455 1.00 0.00 H new ATOM 0 HD22 ASN A 55 12.357 -11.358 -5.721 1.00 0.00 H new ATOM 841 N GLY A 56 13.455 -6.294 -5.392 1.00 0.00 N ATOM 842 CA GLY A 56 12.559 -5.451 -6.182 1.00 0.00 C ATOM 843 C GLY A 56 11.094 -5.891 -6.125 1.00 0.00 C ATOM 844 O GLY A 56 10.297 -5.479 -6.967 1.00 0.00 O ATOM 0 H GLY A 56 13.907 -5.804 -4.620 1.00 0.00 H new ATOM 0 HA2 GLY A 56 12.635 -4.423 -5.828 1.00 0.00 H new ATOM 0 HA3 GLY A 56 12.891 -5.456 -7.220 1.00 0.00 H new ATOM 848 N GLU A 57 10.731 -6.717 -5.143 1.00 0.00 N ATOM 849 CA GLU A 57 9.425 -7.332 -4.995 1.00 0.00 C ATOM 850 C GLU A 57 8.962 -7.075 -3.560 1.00 0.00 C ATOM 851 O GLU A 57 9.801 -6.951 -2.662 1.00 0.00 O ATOM 852 CB GLU A 57 9.587 -8.828 -5.293 1.00 0.00 C ATOM 853 CG GLU A 57 8.300 -9.633 -5.477 1.00 0.00 C ATOM 854 CD GLU A 57 8.645 -11.084 -5.838 1.00 0.00 C ATOM 855 OE1 GLU A 57 9.322 -11.775 -5.033 1.00 0.00 O ATOM 856 OE2 GLU A 57 8.243 -11.530 -6.932 1.00 0.00 O ATOM 0 H GLU A 57 11.375 -6.984 -4.398 1.00 0.00 H new ATOM 0 HA GLU A 57 8.678 -6.925 -5.677 1.00 0.00 H new ATOM 0 HB2 GLU A 57 10.186 -8.932 -6.198 1.00 0.00 H new ATOM 0 HB3 GLU A 57 10.157 -9.278 -4.480 1.00 0.00 H new ATOM 0 HG2 GLU A 57 7.709 -9.606 -4.562 1.00 0.00 H new ATOM 0 HG3 GLU A 57 7.690 -9.188 -6.263 1.00 0.00 H new ATOM 863 N LEU A 58 7.648 -6.999 -3.343 1.00 0.00 N ATOM 864 CA LEU A 58 7.009 -6.845 -2.045 1.00 0.00 C ATOM 865 C LEU A 58 5.891 -7.881 -1.943 1.00 0.00 C ATOM 866 O LEU A 58 4.860 -7.771 -2.610 1.00 0.00 O ATOM 867 CB LEU A 58 6.487 -5.407 -1.861 1.00 0.00 C ATOM 868 CG LEU A 58 5.806 -5.165 -0.495 1.00 0.00 C ATOM 869 CD1 LEU A 58 6.769 -5.408 0.674 1.00 0.00 C ATOM 870 CD2 LEU A 58 5.280 -3.725 -0.424 1.00 0.00 C ATOM 0 H LEU A 58 6.973 -7.046 -4.106 1.00 0.00 H new ATOM 0 HA LEU A 58 7.727 -7.015 -1.242 1.00 0.00 H new ATOM 0 HB2 LEU A 58 7.318 -4.711 -1.971 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.776 -5.183 -2.656 1.00 0.00 H new ATOM 0 HG LEU A 58 4.982 -5.873 -0.409 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.251 -5.227 1.616 1.00 0.00 H new ATOM 0 HD12 LEU A 58 7.122 -6.439 0.646 1.00 0.00 H new ATOM 0 HD13 LEU A 58 7.619 -4.731 0.592 1.00 0.00 H new ATOM 0 HD21 LEU A 58 4.801 -3.560 0.541 1.00 0.00 H new ATOM 0 HD22 LEU A 58 6.110 -3.028 -0.541 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.555 -3.563 -1.222 1.00 0.00 H new ATOM 882 N THR A 59 6.102 -8.903 -1.123 1.00 0.00 N ATOM 883 CA THR A 59 5.148 -9.963 -0.821 1.00 0.00 C ATOM 884 C THR A 59 4.601 -9.793 0.604 1.00 0.00 C ATOM 885 O THR A 59 5.244 -9.178 1.459 1.00 0.00 O ATOM 886 CB THR A 59 5.874 -11.315 -0.942 1.00 0.00 C ATOM 887 OG1 THR A 59 7.173 -11.214 -0.371 1.00 0.00 O ATOM 888 CG2 THR A 59 5.978 -11.805 -2.383 1.00 0.00 C ATOM 0 H THR A 59 6.985 -9.021 -0.627 1.00 0.00 H new ATOM 0 HA THR A 59 4.312 -9.919 -1.519 1.00 0.00 H new ATOM 0 HB THR A 59 5.278 -12.049 -0.399 1.00 0.00 H new ATOM 0 HG1 THR A 59 7.632 -12.076 -0.448 1.00 0.00 H new ATOM 0 HG21 THR A 59 6.499 -12.762 -2.405 1.00 0.00 H new ATOM 0 HG22 THR A 59 4.978 -11.927 -2.799 1.00 0.00 H new ATOM 0 HG23 THR A 59 6.531 -11.077 -2.976 1.00 0.00 H new ATOM 896 N ALA A 60 3.448 -10.406 0.892 1.00 0.00 N ATOM 897 CA ALA A 60 2.899 -10.559 2.232 1.00 0.00 C ATOM 898 C ALA A 60 2.949 -12.013 2.701 1.00 0.00 C ATOM 899 O ALA A 60 2.074 -12.804 2.338 1.00 0.00 O ATOM 900 CB ALA A 60 1.453 -10.061 2.296 1.00 0.00 C ATOM 0 H ALA A 60 2.857 -10.821 0.172 1.00 0.00 H new ATOM 0 HA ALA A 60 3.519 -9.955 2.895 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.069 -10.188 3.308 1.00 0.00 H new ATOM 0 HB2 ALA A 60 1.419 -9.006 2.024 1.00 0.00 H new ATOM 0 HB3 ALA A 60 0.840 -10.634 1.601 1.00 0.00 H new ATOM 906 N LYS A 61 3.914 -12.356 3.564 1.00 0.00 N ATOM 907 CA LYS A 61 3.921 -13.644 4.269 1.00 0.00 C ATOM 908 C LYS A 61 2.967 -13.667 5.476 1.00 0.00 C ATOM 909 O LYS A 61 2.994 -14.631 6.233 1.00 0.00 O ATOM 910 CB LYS A 61 5.348 -14.025 4.715 1.00 0.00 C ATOM 911 CG LYS A 61 5.535 -15.558 4.796 1.00 0.00 C ATOM 912 CD LYS A 61 6.593 -15.995 5.829 1.00 0.00 C ATOM 913 CE LYS A 61 7.788 -16.732 5.222 1.00 0.00 C ATOM 914 NZ LYS A 61 8.496 -15.923 4.214 1.00 0.00 N ATOM 0 H LYS A 61 4.705 -11.754 3.792 1.00 0.00 H new ATOM 0 HA LYS A 61 3.560 -14.384 3.555 1.00 0.00 H new ATOM 0 HB2 LYS A 61 6.071 -13.607 4.015 1.00 0.00 H new ATOM 0 HB3 LYS A 61 5.555 -13.582 5.689 1.00 0.00 H new ATOM 0 HG2 LYS A 61 4.580 -16.020 5.048 1.00 0.00 H new ATOM 0 HG3 LYS A 61 5.821 -15.934 3.814 1.00 0.00 H new ATOM 0 HD2 LYS A 61 6.954 -15.114 6.359 1.00 0.00 H new ATOM 0 HD3 LYS A 61 6.119 -16.640 6.569 1.00 0.00 H new ATOM 0 HE2 LYS A 61 8.483 -17.007 6.016 1.00 0.00 H new ATOM 0 HE3 LYS A 61 7.444 -17.659 4.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 9.426 -16.347 4.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 7.938 -15.895 3.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 8.625 -14.956 4.574 1.00 0.00 H new ATOM 928 N GLY A 62 2.158 -12.643 5.740 1.00 0.00 N ATOM 929 CA GLY A 62 1.290 -12.638 6.912 1.00 0.00 C ATOM 930 C GLY A 62 0.266 -11.522 6.840 1.00 0.00 C ATOM 931 O GLY A 62 0.130 -10.759 7.795 1.00 0.00 O ATOM 0 H GLY A 62 2.087 -11.808 5.158 1.00 0.00 H new ATOM 0 HA2 GLY A 62 0.779 -13.598 6.992 1.00 0.00 H new ATOM 0 HA3 GLY A 62 1.893 -12.522 7.812 1.00 0.00 H new ATOM 935 N LEU A 63 -0.430 -11.382 5.706 1.00 0.00 N ATOM 936 CA LEU A 63 -1.549 -10.464 5.621 1.00 0.00 C ATOM 937 C LEU A 63 -2.613 -10.906 6.630 1.00 0.00 C ATOM 938 O LEU A 63 -2.876 -12.105 6.757 1.00 0.00 O ATOM 939 CB LEU A 63 -2.147 -10.442 4.206 1.00 0.00 C ATOM 940 CG LEU A 63 -2.538 -9.024 3.788 1.00 0.00 C ATOM 941 CD1 LEU A 63 -1.351 -8.267 3.196 1.00 0.00 C ATOM 942 CD2 LEU A 63 -3.656 -9.076 2.751 1.00 0.00 C ATOM 0 H LEU A 63 -0.233 -11.893 4.845 1.00 0.00 H new ATOM 0 HA LEU A 63 -1.202 -9.456 5.847 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.424 -10.846 3.497 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -3.024 -11.089 4.170 1.00 0.00 H new ATOM 0 HG LEU A 63 -2.876 -8.500 4.682 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -1.666 -7.263 2.910 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -0.555 -8.200 3.938 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -0.984 -8.796 2.317 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -3.929 -8.062 2.459 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -3.314 -9.627 1.875 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -4.525 -9.577 3.178 1.00 0.00 H new ATOM 954 N ALA A 64 -3.250 -9.957 7.313 1.00 0.00 N ATOM 955 CA ALA A 64 -4.399 -10.221 8.164 1.00 0.00 C ATOM 956 C ALA A 64 -5.367 -9.053 8.066 1.00 0.00 C ATOM 957 O ALA A 64 -4.928 -7.903 8.118 1.00 0.00 O ATOM 958 CB ALA A 64 -3.920 -10.401 9.601 1.00 0.00 C ATOM 0 H ALA A 64 -2.977 -8.975 7.288 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.910 -11.130 7.845 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -4.775 -10.600 10.247 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -3.225 -11.239 9.651 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -3.417 -9.493 9.933 1.00 0.00 H new ATOM 964 N MET A 65 -6.665 -9.327 7.919 1.00 0.00 N ATOM 965 CA MET A 65 -7.698 -8.332 7.605 1.00 0.00 C ATOM 966 C MET A 65 -8.974 -8.621 8.415 1.00 0.00 C ATOM 967 O MET A 65 -9.010 -9.580 9.201 1.00 0.00 O ATOM 968 CB MET A 65 -7.993 -8.342 6.093 1.00 0.00 C ATOM 969 CG MET A 65 -6.776 -8.209 5.172 1.00 0.00 C ATOM 970 SD MET A 65 -7.199 -8.265 3.410 1.00 0.00 S ATOM 971 CE MET A 65 -7.726 -6.559 3.089 1.00 0.00 C ATOM 0 H MET A 65 -7.039 -10.271 8.017 1.00 0.00 H new ATOM 0 HA MET A 65 -7.337 -7.341 7.879 1.00 0.00 H new ATOM 0 HB2 MET A 65 -8.509 -9.271 5.849 1.00 0.00 H new ATOM 0 HB3 MET A 65 -8.682 -7.527 5.872 1.00 0.00 H new ATOM 0 HG2 MET A 65 -6.268 -7.269 5.387 1.00 0.00 H new ATOM 0 HG3 MET A 65 -6.071 -9.010 5.395 1.00 0.00 H new ATOM 0 HE1 MET A 65 -8.376 -6.537 2.214 1.00 0.00 H new ATOM 0 HE2 MET A 65 -8.269 -6.177 3.954 1.00 0.00 H new ATOM 0 HE3 MET A 65 -6.850 -5.936 2.906 1.00 0.00 H new ATOM 981 N THR A 66 -10.012 -7.795 8.251 1.00 0.00 N ATOM 982 CA THR A 66 -11.284 -7.862 8.991 1.00 0.00 C ATOM 983 C THR A 66 -12.507 -8.068 8.060 1.00 0.00 C ATOM 984 O THR A 66 -12.340 -8.604 6.957 1.00 0.00 O ATOM 985 CB THR A 66 -11.398 -6.734 10.040 1.00 0.00 C ATOM 986 OG1 THR A 66 -11.835 -5.514 9.490 1.00 0.00 O ATOM 987 CG2 THR A 66 -10.100 -6.455 10.808 1.00 0.00 C ATOM 0 H THR A 66 -9.992 -7.032 7.575 1.00 0.00 H new ATOM 0 HA THR A 66 -11.285 -8.772 9.591 1.00 0.00 H new ATOM 0 HB THR A 66 -12.142 -7.123 10.735 1.00 0.00 H new ATOM 0 HG1 THR A 66 -11.092 -5.084 9.017 1.00 0.00 H new ATOM 0 HG21 THR A 66 -10.267 -5.650 11.524 1.00 0.00 H new ATOM 0 HG22 THR A 66 -9.791 -7.355 11.339 1.00 0.00 H new ATOM 0 HG23 THR A 66 -9.319 -6.161 10.107 1.00 0.00 H new ATOM 995 N ARG A 67 -13.738 -7.804 8.545 1.00 0.00 N ATOM 996 CA ARG A 67 -15.003 -7.813 7.786 1.00 0.00 C ATOM 997 C ARG A 67 -15.821 -6.524 8.023 1.00 0.00 C ATOM 998 O ARG A 67 -16.935 -6.584 8.555 1.00 0.00 O ATOM 999 CB ARG A 67 -15.810 -9.075 8.132 1.00 0.00 C ATOM 1000 CG ARG A 67 -15.279 -10.362 7.501 1.00 0.00 C ATOM 1001 CD ARG A 67 -15.434 -10.371 5.974 1.00 0.00 C ATOM 1002 NE ARG A 67 -15.529 -11.753 5.491 1.00 0.00 N ATOM 1003 CZ ARG A 67 -16.084 -12.167 4.348 1.00 0.00 C ATOM 1004 NH1 ARG A 67 -16.483 -11.307 3.422 1.00 0.00 N ATOM 1005 NH2 ARG A 67 -16.249 -13.464 4.143 1.00 0.00 N ATOM 0 H ARG A 67 -13.882 -7.567 9.527 1.00 0.00 H new ATOM 0 HA ARG A 67 -14.768 -7.836 6.722 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -15.824 -9.196 9.215 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -16.842 -8.929 7.814 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -14.226 -10.482 7.758 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -15.809 -11.216 7.923 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -16.326 -9.814 5.687 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -14.583 -9.872 5.510 1.00 0.00 H new ATOM 0 HE ARG A 67 -15.129 -12.474 6.091 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -16.369 -10.305 3.574 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -16.904 -11.647 2.557 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -15.954 -14.134 4.853 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -16.671 -13.793 3.275 1.00 0.00 H new ATOM 1019 N MET A 68 -15.299 -5.353 7.657 1.00 0.00 N ATOM 1020 CA MET A 68 -15.993 -4.060 7.674 1.00 0.00 C ATOM 1021 C MET A 68 -16.504 -3.672 6.279 1.00 0.00 C ATOM 1022 O MET A 68 -16.180 -4.308 5.278 1.00 0.00 O ATOM 1023 CB MET A 68 -15.067 -2.957 8.217 1.00 0.00 C ATOM 1024 CG MET A 68 -14.632 -3.216 9.661 1.00 0.00 C ATOM 1025 SD MET A 68 -13.715 -1.861 10.447 1.00 0.00 S ATOM 1026 CE MET A 68 -12.165 -1.908 9.513 1.00 0.00 C ATOM 0 H MET A 68 -14.338 -5.274 7.325 1.00 0.00 H new ATOM 0 HA MET A 68 -16.855 -4.163 8.333 1.00 0.00 H new ATOM 0 HB2 MET A 68 -14.184 -2.883 7.582 1.00 0.00 H new ATOM 0 HB3 MET A 68 -15.580 -1.997 8.162 1.00 0.00 H new ATOM 0 HG2 MET A 68 -15.519 -3.428 10.258 1.00 0.00 H new ATOM 0 HG3 MET A 68 -14.012 -4.113 9.682 1.00 0.00 H new ATOM 0 HE1 MET A 68 -11.323 -1.882 10.204 1.00 0.00 H new ATOM 0 HE2 MET A 68 -12.123 -2.824 8.924 1.00 0.00 H new ATOM 0 HE3 MET A 68 -12.115 -1.046 8.848 1.00 0.00 H new ATOM 1036 N MET A 69 -17.299 -2.600 6.223 1.00 0.00 N ATOM 1037 CA MET A 69 -17.979 -2.055 5.052 1.00 0.00 C ATOM 1038 C MET A 69 -17.674 -0.555 4.967 1.00 0.00 C ATOM 1039 O MET A 69 -17.269 0.041 5.972 1.00 0.00 O ATOM 1040 CB MET A 69 -19.493 -2.287 5.188 1.00 0.00 C ATOM 1041 CG MET A 69 -19.935 -3.733 4.932 1.00 0.00 C ATOM 1042 SD MET A 69 -19.552 -4.917 6.256 1.00 0.00 S ATOM 1043 CE MET A 69 -18.676 -6.136 5.243 1.00 0.00 C ATOM 0 H MET A 69 -17.497 -2.051 7.060 1.00 0.00 H new ATOM 0 HA MET A 69 -17.632 -2.549 4.144 1.00 0.00 H new ATOM 0 HB2 MET A 69 -19.805 -1.996 6.191 1.00 0.00 H new ATOM 0 HB3 MET A 69 -20.013 -1.631 4.490 1.00 0.00 H new ATOM 0 HG2 MET A 69 -21.012 -3.740 4.763 1.00 0.00 H new ATOM 0 HG3 MET A 69 -19.465 -4.080 4.012 1.00 0.00 H new ATOM 0 HE1 MET A 69 -17.937 -6.654 5.855 1.00 0.00 H new ATOM 0 HE2 MET A 69 -19.389 -6.858 4.845 1.00 0.00 H new ATOM 0 HE3 MET A 69 -18.174 -5.630 4.418 1.00 0.00 H new ATOM 1053 N CYS A 70 -17.881 0.055 3.792 1.00 0.00 N ATOM 1054 CA CYS A 70 -17.444 1.430 3.488 1.00 0.00 C ATOM 1055 C CYS A 70 -18.351 2.249 2.567 1.00 0.00 C ATOM 1056 O CYS A 70 -17.911 3.310 2.121 1.00 0.00 O ATOM 1057 CB CYS A 70 -15.988 1.451 3.003 1.00 0.00 C ATOM 1058 SG CYS A 70 -14.785 1.143 4.314 1.00 0.00 S ATOM 0 H CYS A 70 -18.363 -0.396 3.014 1.00 0.00 H new ATOM 0 HA CYS A 70 -17.524 1.946 4.445 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -15.863 0.700 2.223 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -15.779 2.420 2.550 1.00 0.00 H new ATOM 1063 N ALA A 71 -19.584 1.810 2.302 1.00 0.00 N ATOM 1064 CA ALA A 71 -20.694 2.557 1.686 1.00 0.00 C ATOM 1065 C ALA A 71 -20.522 2.928 0.204 1.00 0.00 C ATOM 1066 O ALA A 71 -21.510 3.034 -0.526 1.00 0.00 O ATOM 1067 CB ALA A 71 -21.032 3.789 2.539 1.00 0.00 C ATOM 0 H ALA A 71 -19.857 0.853 2.527 1.00 0.00 H new ATOM 0 HA ALA A 71 -21.532 1.861 1.674 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -21.854 4.337 2.078 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -21.325 3.470 3.539 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -20.157 4.436 2.606 1.00 0.00 H new ATOM 1073 N ASN A 72 -19.282 3.088 -0.244 1.00 0.00 N ATOM 1074 CA ASN A 72 -18.829 3.030 -1.632 1.00 0.00 C ATOM 1075 C ASN A 72 -18.495 1.567 -1.900 1.00 0.00 C ATOM 1076 O ASN A 72 -18.232 0.819 -0.947 1.00 0.00 O ATOM 1077 CB ASN A 72 -17.535 3.867 -1.784 1.00 0.00 C ATOM 1078 CG ASN A 72 -17.589 5.003 -2.788 1.00 0.00 C ATOM 1079 OD1 ASN A 72 -18.533 5.163 -3.554 1.00 0.00 O ATOM 1080 ND2 ASN A 72 -16.525 5.788 -2.844 1.00 0.00 N ATOM 0 H ASN A 72 -18.511 3.275 0.397 1.00 0.00 H new ATOM 0 HA ASN A 72 -19.584 3.415 -2.317 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -17.279 4.282 -0.809 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -16.724 3.196 -2.068 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -16.482 6.540 -3.532 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -15.748 5.641 -2.199 1.00 0.00 H new ATOM 1087 N PRO A 73 -18.374 1.144 -3.157 1.00 0.00 N ATOM 1088 CA PRO A 73 -17.850 -0.173 -3.469 1.00 0.00 C ATOM 1089 C PRO A 73 -16.330 -0.119 -3.704 1.00 0.00 C ATOM 1090 O PRO A 73 -15.664 -1.138 -3.572 1.00 0.00 O ATOM 1091 CB PRO A 73 -18.631 -0.538 -4.725 1.00 0.00 C ATOM 1092 CG PRO A 73 -18.715 0.797 -5.475 1.00 0.00 C ATOM 1093 CD PRO A 73 -18.788 1.844 -4.365 1.00 0.00 C ATOM 0 HA PRO A 73 -17.969 -0.908 -2.673 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -18.119 -1.300 -5.312 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -19.620 -0.931 -4.486 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -17.844 0.952 -6.112 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -19.593 0.838 -6.120 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -18.132 2.689 -4.576 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -19.798 2.242 -4.264 1.00 0.00 H new ATOM 1101 N GLN A 74 -15.768 1.065 -3.998 1.00 0.00 N ATOM 1102 CA GLN A 74 -14.358 1.270 -4.315 1.00 0.00 C ATOM 1103 C GLN A 74 -13.469 0.663 -3.229 1.00 0.00 C ATOM 1104 O GLN A 74 -12.716 -0.262 -3.515 1.00 0.00 O ATOM 1105 CB GLN A 74 -14.079 2.771 -4.534 1.00 0.00 C ATOM 1106 CG GLN A 74 -12.602 3.059 -4.867 1.00 0.00 C ATOM 1107 CD GLN A 74 -12.330 4.539 -5.159 1.00 0.00 C ATOM 1108 OE1 GLN A 74 -12.968 5.420 -4.589 1.00 0.00 O ATOM 1109 NE2 GLN A 74 -11.421 4.849 -6.070 1.00 0.00 N ATOM 0 H GLN A 74 -16.307 1.931 -4.020 1.00 0.00 H new ATOM 0 HA GLN A 74 -14.117 0.754 -5.245 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -14.708 3.139 -5.344 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -14.359 3.323 -3.637 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -11.978 2.739 -4.032 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -12.308 2.464 -5.732 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -10.896 4.111 -6.538 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -11.246 5.826 -6.304 1.00 0.00 H new ATOM 1118 N LEU A 75 -13.562 1.162 -1.992 1.00 0.00 N ATOM 1119 CA LEU A 75 -12.670 0.763 -0.904 1.00 0.00 C ATOM 1120 C LEU A 75 -12.839 -0.733 -0.592 1.00 0.00 C ATOM 1121 O LEU A 75 -11.903 -1.392 -0.150 1.00 0.00 O ATOM 1122 CB LEU A 75 -12.904 1.618 0.356 1.00 0.00 C ATOM 1123 CG LEU A 75 -12.917 3.146 0.140 1.00 0.00 C ATOM 1124 CD1 LEU A 75 -13.470 3.872 1.367 1.00 0.00 C ATOM 1125 CD2 LEU A 75 -11.521 3.679 -0.180 1.00 0.00 C ATOM 0 H LEU A 75 -14.259 1.855 -1.719 1.00 0.00 H new ATOM 0 HA LEU A 75 -11.644 0.934 -1.230 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -13.856 1.325 0.799 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -12.127 1.380 1.083 1.00 0.00 H new ATOM 0 HG LEU A 75 -13.568 3.340 -0.712 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -13.467 4.947 1.186 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -14.490 3.539 1.558 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -12.847 3.648 2.233 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -11.568 4.758 -0.326 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -10.847 3.454 0.647 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -11.150 3.206 -1.089 1.00 0.00 H new ATOM 1137 N ASN A 76 -14.037 -1.267 -0.856 1.00 0.00 N ATOM 1138 CA ASN A 76 -14.430 -2.657 -0.641 1.00 0.00 C ATOM 1139 C ASN A 76 -13.778 -3.597 -1.660 1.00 0.00 C ATOM 1140 O ASN A 76 -13.454 -4.735 -1.341 1.00 0.00 O ATOM 1141 CB ASN A 76 -15.964 -2.743 -0.749 1.00 0.00 C ATOM 1142 CG ASN A 76 -16.551 -3.849 0.088 1.00 0.00 C ATOM 1143 OD1 ASN A 76 -16.915 -4.924 -0.388 1.00 0.00 O ATOM 1144 ND2 ASN A 76 -16.741 -3.551 1.352 1.00 0.00 N ATOM 0 H ASN A 76 -14.796 -0.708 -1.246 1.00 0.00 H new ATOM 0 HA ASN A 76 -14.093 -2.973 0.346 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -16.398 -1.792 -0.441 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -16.241 -2.897 -1.792 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -17.202 -4.219 1.970 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -16.428 -2.651 1.717 1.00 0.00 H new ATOM 1151 N GLU A 77 -13.588 -3.139 -2.900 1.00 0.00 N ATOM 1152 CA GLU A 77 -12.838 -3.862 -3.928 1.00 0.00 C ATOM 1153 C GLU A 77 -11.332 -3.697 -3.715 1.00 0.00 C ATOM 1154 O GLU A 77 -10.549 -4.589 -4.051 1.00 0.00 O ATOM 1155 CB GLU A 77 -13.225 -3.325 -5.319 1.00 0.00 C ATOM 1156 CG GLU A 77 -13.847 -4.407 -6.206 1.00 0.00 C ATOM 1157 CD GLU A 77 -12.812 -5.321 -6.855 1.00 0.00 C ATOM 1158 OE1 GLU A 77 -12.104 -4.857 -7.782 1.00 0.00 O ATOM 1159 OE2 GLU A 77 -12.805 -6.538 -6.551 1.00 0.00 O ATOM 0 H GLU A 77 -13.956 -2.244 -3.222 1.00 0.00 H new ATOM 0 HA GLU A 77 -13.084 -4.922 -3.860 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -13.930 -2.502 -5.205 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -12.340 -2.921 -5.809 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -14.530 -5.010 -5.608 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -14.442 -3.931 -6.986 1.00 0.00 H new ATOM 1166 N LEU A 78 -10.920 -2.554 -3.166 1.00 0.00 N ATOM 1167 CA LEU A 78 -9.530 -2.217 -2.894 1.00 0.00 C ATOM 1168 C LEU A 78 -8.935 -3.189 -1.886 1.00 0.00 C ATOM 1169 O LEU A 78 -7.784 -3.581 -2.055 1.00 0.00 O ATOM 1170 CB LEU A 78 -9.430 -0.765 -2.385 1.00 0.00 C ATOM 1171 CG LEU A 78 -8.850 0.279 -3.351 1.00 0.00 C ATOM 1172 CD1 LEU A 78 -9.662 0.413 -4.640 1.00 0.00 C ATOM 1173 CD2 LEU A 78 -8.841 1.666 -2.696 1.00 0.00 C ATOM 0 H LEU A 78 -11.568 -1.816 -2.891 1.00 0.00 H new ATOM 0 HA LEU A 78 -8.958 -2.299 -3.818 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -10.429 -0.439 -2.095 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -8.820 -0.765 -1.482 1.00 0.00 H new ATOM 0 HG LEU A 78 -7.845 -0.069 -3.588 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -9.204 1.165 -5.282 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -9.681 -0.545 -5.159 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -10.681 0.715 -4.398 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -8.427 2.395 -3.393 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -9.860 1.952 -2.435 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -8.229 1.639 -1.794 1.00 0.00 H new ATOM 1185 N ASP A 79 -9.723 -3.646 -0.911 1.00 0.00 N ATOM 1186 CA ASP A 79 -9.348 -4.713 0.018 1.00 0.00 C ATOM 1187 C ASP A 79 -8.888 -5.945 -0.738 1.00 0.00 C ATOM 1188 O ASP A 79 -7.862 -6.547 -0.418 1.00 0.00 O ATOM 1189 CB ASP A 79 -10.548 -5.160 0.859 1.00 0.00 C ATOM 1190 CG ASP A 79 -11.058 -4.122 1.836 1.00 0.00 C ATOM 1191 OD1 ASP A 79 -10.247 -3.444 2.511 1.00 0.00 O ATOM 1192 OD2 ASP A 79 -12.297 -4.070 1.984 1.00 0.00 O ATOM 0 H ASP A 79 -10.659 -3.277 -0.742 1.00 0.00 H new ATOM 0 HA ASP A 79 -8.555 -4.309 0.647 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -11.361 -5.438 0.188 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -10.272 -6.057 1.414 1.00 0.00 H new ATOM 1197 N ASN A 80 -9.673 -6.334 -1.739 1.00 0.00 N ATOM 1198 CA ASN A 80 -9.442 -7.597 -2.418 1.00 0.00 C ATOM 1199 C ASN A 80 -8.285 -7.427 -3.388 1.00 0.00 C ATOM 1200 O ASN A 80 -7.476 -8.336 -3.546 1.00 0.00 O ATOM 1201 CB ASN A 80 -10.717 -8.090 -3.127 1.00 0.00 C ATOM 1202 CG ASN A 80 -11.629 -8.910 -2.217 1.00 0.00 C ATOM 1203 OD1 ASN A 80 -11.327 -9.198 -1.060 1.00 0.00 O ATOM 1204 ND2 ASN A 80 -12.781 -9.325 -2.710 1.00 0.00 N ATOM 0 H ASN A 80 -10.465 -5.797 -2.092 1.00 0.00 H new ATOM 0 HA ASN A 80 -9.181 -8.362 -1.687 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -11.270 -7.231 -3.507 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -10.436 -8.694 -3.989 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -13.413 -9.880 -2.132 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -13.040 -9.091 -3.668 1.00 0.00 H new ATOM 1211 N THR A 81 -8.183 -6.243 -3.990 1.00 0.00 N ATOM 1212 CA THR A 81 -7.062 -5.854 -4.814 1.00 0.00 C ATOM 1213 C THR A 81 -5.767 -5.933 -3.996 1.00 0.00 C ATOM 1214 O THR A 81 -4.855 -6.637 -4.413 1.00 0.00 O ATOM 1215 CB THR A 81 -7.309 -4.453 -5.398 1.00 0.00 C ATOM 1216 OG1 THR A 81 -8.604 -4.310 -5.965 1.00 0.00 O ATOM 1217 CG2 THR A 81 -6.314 -4.161 -6.514 1.00 0.00 C ATOM 0 H THR A 81 -8.897 -5.519 -3.911 1.00 0.00 H new ATOM 0 HA THR A 81 -6.955 -6.539 -5.655 1.00 0.00 H new ATOM 0 HB THR A 81 -7.200 -3.764 -4.561 1.00 0.00 H new ATOM 0 HG1 THR A 81 -9.271 -4.255 -5.249 1.00 0.00 H new ATOM 0 HG21 THR A 81 -6.501 -3.166 -6.917 1.00 0.00 H new ATOM 0 HG22 THR A 81 -5.299 -4.207 -6.118 1.00 0.00 H new ATOM 0 HG23 THR A 81 -6.428 -4.901 -7.306 1.00 0.00 H new ATOM 1225 N ILE A 82 -5.653 -5.247 -2.850 1.00 0.00 N ATOM 1226 CA ILE A 82 -4.389 -5.201 -2.116 1.00 0.00 C ATOM 1227 C ILE A 82 -4.013 -6.584 -1.592 1.00 0.00 C ATOM 1228 O ILE A 82 -2.828 -6.907 -1.539 1.00 0.00 O ATOM 1229 CB ILE A 82 -4.404 -4.127 -1.000 1.00 0.00 C ATOM 1230 CG1 ILE A 82 -2.988 -3.840 -0.454 1.00 0.00 C ATOM 1231 CG2 ILE A 82 -5.312 -4.464 0.197 1.00 0.00 C ATOM 1232 CD1 ILE A 82 -2.091 -3.115 -1.464 1.00 0.00 C ATOM 0 H ILE A 82 -6.414 -4.723 -2.418 1.00 0.00 H new ATOM 0 HA ILE A 82 -3.609 -4.897 -2.814 1.00 0.00 H new ATOM 0 HB ILE A 82 -4.812 -3.247 -1.497 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -3.069 -3.237 0.450 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -2.517 -4.781 -0.168 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -5.262 -3.659 0.930 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -6.340 -4.578 -0.147 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -4.978 -5.394 0.657 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -1.110 -2.942 -1.021 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.982 -3.727 -2.359 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.542 -2.159 -1.731 1.00 0.00 H new ATOM 1244 N SER A 83 -5.001 -7.395 -1.210 1.00 0.00 N ATOM 1245 CA SER A 83 -4.746 -8.716 -0.680 1.00 0.00 C ATOM 1246 C SER A 83 -4.056 -9.565 -1.751 1.00 0.00 C ATOM 1247 O SER A 83 -2.954 -10.072 -1.524 1.00 0.00 O ATOM 1248 CB SER A 83 -6.071 -9.300 -0.175 1.00 0.00 C ATOM 1249 OG SER A 83 -5.869 -10.470 0.589 1.00 0.00 O ATOM 0 H SER A 83 -5.989 -7.148 -1.262 1.00 0.00 H new ATOM 0 HA SER A 83 -4.065 -8.691 0.171 1.00 0.00 H new ATOM 0 HB2 SER A 83 -6.590 -8.556 0.429 1.00 0.00 H new ATOM 0 HB3 SER A 83 -6.716 -9.527 -1.024 1.00 0.00 H new ATOM 0 HG SER A 83 -6.734 -10.814 0.896 1.00 0.00 H new ATOM 1255 N GLU A 84 -4.670 -9.654 -2.933 1.00 0.00 N ATOM 1256 CA GLU A 84 -4.128 -10.321 -4.100 1.00 0.00 C ATOM 1257 C GLU A 84 -2.773 -9.710 -4.475 1.00 0.00 C ATOM 1258 O GLU A 84 -1.820 -10.455 -4.690 1.00 0.00 O ATOM 1259 CB GLU A 84 -5.148 -10.179 -5.234 1.00 0.00 C ATOM 1260 CG GLU A 84 -6.419 -11.022 -5.047 1.00 0.00 C ATOM 1261 CD GLU A 84 -6.355 -12.391 -5.730 1.00 0.00 C ATOM 1262 OE1 GLU A 84 -5.494 -13.230 -5.377 1.00 0.00 O ATOM 1263 OE2 GLU A 84 -7.217 -12.643 -6.606 1.00 0.00 O ATOM 0 H GLU A 84 -5.590 -9.247 -3.101 1.00 0.00 H new ATOM 0 HA GLU A 84 -3.955 -11.378 -3.900 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -5.431 -9.130 -5.324 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -4.672 -10.462 -6.173 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -6.596 -11.165 -3.981 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -7.272 -10.469 -5.440 1.00 0.00 H new ATOM 1270 N MET A 85 -2.638 -8.375 -4.486 1.00 0.00 N ATOM 1271 CA MET A 85 -1.432 -7.699 -4.953 1.00 0.00 C ATOM 1272 C MET A 85 -0.274 -7.831 -3.981 1.00 0.00 C ATOM 1273 O MET A 85 0.823 -7.366 -4.284 1.00 0.00 O ATOM 1274 CB MET A 85 -1.649 -6.209 -5.212 1.00 0.00 C ATOM 1275 CG MET A 85 -2.480 -5.956 -6.459 1.00 0.00 C ATOM 1276 SD MET A 85 -2.753 -4.211 -6.823 1.00 0.00 S ATOM 1277 CE MET A 85 -1.090 -3.721 -7.319 1.00 0.00 C ATOM 0 H MET A 85 -3.368 -7.738 -4.169 1.00 0.00 H new ATOM 0 HA MET A 85 -1.189 -8.202 -5.889 1.00 0.00 H new ATOM 0 HB2 MET A 85 -2.145 -5.761 -4.351 1.00 0.00 H new ATOM 0 HB3 MET A 85 -0.682 -5.716 -5.316 1.00 0.00 H new ATOM 0 HG2 MET A 85 -1.986 -6.421 -7.312 1.00 0.00 H new ATOM 0 HG3 MET A 85 -3.446 -6.447 -6.344 1.00 0.00 H new ATOM 0 HE1 MET A 85 -1.109 -2.698 -7.696 1.00 0.00 H new ATOM 0 HE2 MET A 85 -0.422 -3.778 -6.459 1.00 0.00 H new ATOM 0 HE3 MET A 85 -0.732 -4.390 -8.102 1.00 0.00 H new ATOM 1287 N LEU A 86 -0.444 -8.490 -2.842 1.00 0.00 N ATOM 1288 CA LEU A 86 0.666 -8.819 -1.959 1.00 0.00 C ATOM 1289 C LEU A 86 0.896 -10.327 -1.917 1.00 0.00 C ATOM 1290 O LEU A 86 1.934 -10.780 -1.431 1.00 0.00 O ATOM 1291 CB LEU A 86 0.338 -8.299 -0.566 1.00 0.00 C ATOM 1292 CG LEU A 86 0.474 -6.791 -0.312 1.00 0.00 C ATOM 1293 CD1 LEU A 86 1.839 -6.506 0.335 1.00 0.00 C ATOM 1294 CD2 LEU A 86 0.358 -5.829 -1.490 1.00 0.00 C ATOM 0 H LEU A 86 -1.352 -8.810 -2.506 1.00 0.00 H new ATOM 0 HA LEU A 86 1.579 -8.354 -2.330 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -0.688 -8.586 -0.335 1.00 0.00 H new ATOM 0 HB3 LEU A 86 0.982 -8.817 0.145 1.00 0.00 H new ATOM 0 HG LEU A 86 -0.398 -6.591 0.311 1.00 0.00 H new ATOM 0 HD11 LEU A 86 1.939 -5.436 0.517 1.00 0.00 H new ATOM 0 HD12 LEU A 86 1.913 -7.043 1.281 1.00 0.00 H new ATOM 0 HD13 LEU A 86 2.634 -6.836 -0.333 1.00 0.00 H new ATOM 0 HD21 LEU A 86 0.478 -4.805 -1.137 1.00 0.00 H new ATOM 0 HD22 LEU A 86 1.135 -6.054 -2.221 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -0.621 -5.940 -1.955 1.00 0.00 H new ATOM 1306 N LYS A 87 -0.071 -11.122 -2.367 1.00 0.00 N ATOM 1307 CA LYS A 87 -0.023 -12.570 -2.253 1.00 0.00 C ATOM 1308 C LYS A 87 0.860 -13.205 -3.314 1.00 0.00 C ATOM 1309 O LYS A 87 1.398 -14.280 -3.047 1.00 0.00 O ATOM 1310 CB LYS A 87 -1.456 -13.136 -2.309 1.00 0.00 C ATOM 1311 CG LYS A 87 -1.834 -13.770 -0.968 1.00 0.00 C ATOM 1312 CD LYS A 87 -1.800 -12.795 0.225 1.00 0.00 C ATOM 1313 CE LYS A 87 -1.603 -13.567 1.532 1.00 0.00 C ATOM 1314 NZ LYS A 87 -0.277 -14.221 1.644 1.00 0.00 N ATOM 0 H LYS A 87 -0.914 -10.774 -2.823 1.00 0.00 H new ATOM 0 HA LYS A 87 0.428 -12.820 -1.292 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -2.159 -12.339 -2.552 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -1.529 -13.879 -3.103 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -2.835 -14.193 -1.048 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -1.154 -14.597 -0.766 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -0.992 -12.076 0.093 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -2.729 -12.226 0.266 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -1.733 -12.883 2.371 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -2.381 -14.326 1.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -0.382 -15.140 2.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 0.119 -14.367 0.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 0.363 -13.616 2.197 1.00 0.00 H new ATOM 1328 N GLU A 88 1.020 -12.558 -4.466 1.00 0.00 N ATOM 1329 CA GLU A 88 1.670 -13.108 -5.651 1.00 0.00 C ATOM 1330 C GLU A 88 3.029 -12.455 -5.964 1.00 0.00 C ATOM 1331 O GLU A 88 3.691 -12.883 -6.907 1.00 0.00 O ATOM 1332 CB GLU A 88 0.664 -13.157 -6.826 1.00 0.00 C ATOM 1333 CG GLU A 88 0.140 -11.787 -7.307 1.00 0.00 C ATOM 1334 CD GLU A 88 -1.087 -11.836 -8.238 1.00 0.00 C ATOM 1335 OE1 GLU A 88 -1.732 -12.911 -8.338 1.00 0.00 O ATOM 1336 OE2 GLU A 88 -1.397 -10.770 -8.827 1.00 0.00 O ATOM 0 H GLU A 88 0.689 -11.603 -4.604 1.00 0.00 H new ATOM 0 HA GLU A 88 1.956 -14.140 -5.449 1.00 0.00 H new ATOM 0 HB2 GLU A 88 1.139 -13.661 -7.668 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -0.188 -13.768 -6.528 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -0.113 -11.187 -6.433 1.00 0.00 H new ATOM 0 HG3 GLU A 88 0.948 -11.270 -7.826 1.00 0.00 H new ATOM 1343 N GLY A 89 3.473 -11.496 -5.143 1.00 0.00 N ATOM 1344 CA GLY A 89 4.653 -10.663 -5.330 1.00 0.00 C ATOM 1345 C GLY A 89 4.311 -9.449 -6.177 1.00 0.00 C ATOM 1346 O GLY A 89 4.235 -9.559 -7.398 1.00 0.00 O ATOM 0 H GLY A 89 2.982 -11.272 -4.277 1.00 0.00 H new ATOM 0 HA2 GLY A 89 5.038 -10.343 -4.362 1.00 0.00 H new ATOM 0 HA3 GLY A 89 5.442 -11.241 -5.812 1.00 0.00 H new ATOM 1350 N ALA A 90 4.090 -8.284 -5.556 1.00 0.00 N ATOM 1351 CA ALA A 90 4.077 -7.016 -6.290 1.00 0.00 C ATOM 1352 C ALA A 90 5.512 -6.699 -6.686 1.00 0.00 C ATOM 1353 O ALA A 90 6.399 -6.878 -5.856 1.00 0.00 O ATOM 1354 CB ALA A 90 3.518 -5.870 -5.437 1.00 0.00 C ATOM 0 H ALA A 90 3.919 -8.194 -4.554 1.00 0.00 H new ATOM 0 HA ALA A 90 3.433 -7.115 -7.164 1.00 0.00 H new ATOM 0 HB1 ALA A 90 3.525 -4.947 -6.017 1.00 0.00 H new ATOM 0 HB2 ALA A 90 2.496 -6.103 -5.139 1.00 0.00 H new ATOM 0 HB3 ALA A 90 4.135 -5.744 -4.548 1.00 0.00 H new ATOM 1360 N GLN A 91 5.747 -6.191 -7.898 1.00 0.00 N ATOM 1361 CA GLN A 91 6.964 -5.455 -8.156 1.00 0.00 C ATOM 1362 C GLN A 91 6.783 -4.100 -7.472 1.00 0.00 C ATOM 1363 O GLN A 91 5.664 -3.570 -7.407 1.00 0.00 O ATOM 1364 CB GLN A 91 7.176 -5.282 -9.662 1.00 0.00 C ATOM 1365 CG GLN A 91 7.378 -6.583 -10.455 1.00 0.00 C ATOM 1366 CD GLN A 91 8.361 -7.573 -9.821 1.00 0.00 C ATOM 1367 OE1 GLN A 91 9.542 -7.287 -9.646 1.00 0.00 O ATOM 1368 NE2 GLN A 91 7.921 -8.780 -9.499 1.00 0.00 N ATOM 0 H GLN A 91 5.117 -6.279 -8.696 1.00 0.00 H new ATOM 0 HA GLN A 91 7.841 -5.978 -7.774 1.00 0.00 H new ATOM 0 HB2 GLN A 91 6.315 -4.755 -10.074 1.00 0.00 H new ATOM 0 HB3 GLN A 91 8.045 -4.643 -9.818 1.00 0.00 H new ATOM 0 HG2 GLN A 91 6.412 -7.075 -10.572 1.00 0.00 H new ATOM 0 HG3 GLN A 91 7.731 -6.332 -11.455 1.00 0.00 H new ATOM 0 HE21 GLN A 91 6.940 -9.021 -9.643 1.00 0.00 H new ATOM 0 HE22 GLN A 91 8.563 -9.469 -9.107 1.00 0.00 H new ATOM 1377 N VAL A 92 7.870 -3.545 -6.955 1.00 0.00 N ATOM 1378 CA VAL A 92 7.844 -2.348 -6.138 1.00 0.00 C ATOM 1379 C VAL A 92 8.971 -1.451 -6.641 1.00 0.00 C ATOM 1380 O VAL A 92 10.118 -1.888 -6.727 1.00 0.00 O ATOM 1381 CB VAL A 92 7.896 -2.771 -4.648 1.00 0.00 C ATOM 1382 CG1 VAL A 92 9.130 -3.583 -4.240 1.00 0.00 C ATOM 1383 CG2 VAL A 92 7.772 -1.578 -3.701 1.00 0.00 C ATOM 0 H VAL A 92 8.807 -3.922 -7.096 1.00 0.00 H new ATOM 0 HA VAL A 92 6.931 -1.758 -6.217 1.00 0.00 H new ATOM 0 HB VAL A 92 7.031 -3.427 -4.553 1.00 0.00 H new ATOM 0 HG11 VAL A 92 9.070 -3.828 -3.180 1.00 0.00 H new ATOM 0 HG12 VAL A 92 9.170 -4.503 -4.824 1.00 0.00 H new ATOM 0 HG13 VAL A 92 10.030 -2.996 -4.426 1.00 0.00 H new ATOM 0 HG21 VAL A 92 7.814 -1.927 -2.669 1.00 0.00 H new ATOM 0 HG22 VAL A 92 8.591 -0.883 -3.883 1.00 0.00 H new ATOM 0 HG23 VAL A 92 6.822 -1.073 -3.875 1.00 0.00 H new ATOM 1393 N ASP A 93 8.642 -0.213 -7.013 1.00 0.00 N ATOM 1394 CA ASP A 93 9.573 0.722 -7.629 1.00 0.00 C ATOM 1395 C ASP A 93 9.270 2.113 -7.083 1.00 0.00 C ATOM 1396 O ASP A 93 8.485 2.872 -7.654 1.00 0.00 O ATOM 1397 CB ASP A 93 9.468 0.658 -9.165 1.00 0.00 C ATOM 1398 CG ASP A 93 10.375 -0.419 -9.750 1.00 0.00 C ATOM 1399 OD1 ASP A 93 11.615 -0.267 -9.642 1.00 0.00 O ATOM 1400 OD2 ASP A 93 9.880 -1.401 -10.338 1.00 0.00 O ATOM 0 H ASP A 93 7.705 0.170 -6.891 1.00 0.00 H new ATOM 0 HA ASP A 93 10.603 0.462 -7.384 1.00 0.00 H new ATOM 0 HB2 ASP A 93 8.435 0.458 -9.451 1.00 0.00 H new ATOM 0 HB3 ASP A 93 9.734 1.627 -9.588 1.00 0.00 H new ATOM 1405 N LEU A 94 9.853 2.458 -5.934 1.00 0.00 N ATOM 1406 CA LEU A 94 9.823 3.823 -5.413 1.00 0.00 C ATOM 1407 C LEU A 94 10.854 4.632 -6.190 1.00 0.00 C ATOM 1408 O LEU A 94 12.053 4.399 -6.052 1.00 0.00 O ATOM 1409 CB LEU A 94 10.091 3.835 -3.899 1.00 0.00 C ATOM 1410 CG LEU A 94 10.308 5.217 -3.267 1.00 0.00 C ATOM 1411 CD1 LEU A 94 9.091 6.126 -3.439 1.00 0.00 C ATOM 1412 CD2 LEU A 94 10.610 5.062 -1.776 1.00 0.00 C ATOM 0 H LEU A 94 10.358 1.800 -5.340 1.00 0.00 H new ATOM 0 HA LEU A 94 8.838 4.270 -5.547 1.00 0.00 H new ATOM 0 HB2 LEU A 94 9.251 3.355 -3.397 1.00 0.00 H new ATOM 0 HB3 LEU A 94 10.972 3.224 -3.701 1.00 0.00 H new ATOM 0 HG LEU A 94 11.151 5.680 -3.780 1.00 0.00 H new ATOM 0 HD11 LEU A 94 9.291 7.093 -2.976 1.00 0.00 H new ATOM 0 HD12 LEU A 94 8.889 6.267 -4.501 1.00 0.00 H new ATOM 0 HD13 LEU A 94 8.224 5.668 -2.963 1.00 0.00 H new ATOM 0 HD21 LEU A 94 10.763 6.045 -1.332 1.00 0.00 H new ATOM 0 HD22 LEU A 94 9.772 4.568 -1.284 1.00 0.00 H new ATOM 0 HD23 LEU A 94 11.511 4.462 -1.648 1.00 0.00 H new ATOM 1424 N THR A 95 10.376 5.562 -7.011 1.00 0.00 N ATOM 1425 CA THR A 95 11.211 6.613 -7.577 1.00 0.00 C ATOM 1426 C THR A 95 11.454 7.695 -6.515 1.00 0.00 C ATOM 1427 O THR A 95 10.976 7.598 -5.381 1.00 0.00 O ATOM 1428 CB THR A 95 10.596 7.149 -8.890 1.00 0.00 C ATOM 1429 OG1 THR A 95 11.534 7.938 -9.584 1.00 0.00 O ATOM 1430 CG2 THR A 95 9.359 8.036 -8.726 1.00 0.00 C ATOM 0 H THR A 95 9.399 5.607 -7.302 1.00 0.00 H new ATOM 0 HA THR A 95 12.188 6.216 -7.854 1.00 0.00 H new ATOM 0 HB THR A 95 10.304 6.243 -9.420 1.00 0.00 H new ATOM 0 HG1 THR A 95 11.132 8.270 -10.414 1.00 0.00 H new ATOM 0 HG21 THR A 95 9.009 8.357 -9.707 1.00 0.00 H new ATOM 0 HG22 THR A 95 8.571 7.473 -8.226 1.00 0.00 H new ATOM 0 HG23 THR A 95 9.615 8.911 -8.128 1.00 0.00 H new ATOM 1438 N ALA A 96 12.144 8.771 -6.900 1.00 0.00 N ATOM 1439 CA ALA A 96 12.635 9.841 -6.041 1.00 0.00 C ATOM 1440 C ALA A 96 11.599 10.309 -5.014 1.00 0.00 C ATOM 1441 O ALA A 96 11.950 10.530 -3.858 1.00 0.00 O ATOM 1442 CB ALA A 96 13.056 11.002 -6.946 1.00 0.00 C ATOM 0 H ALA A 96 12.387 8.924 -7.879 1.00 0.00 H new ATOM 0 HA ALA A 96 13.477 9.465 -5.459 1.00 0.00 H new ATOM 0 HB1 ALA A 96 13.430 11.823 -6.334 1.00 0.00 H new ATOM 0 HB2 ALA A 96 13.841 10.668 -7.624 1.00 0.00 H new ATOM 0 HB3 ALA A 96 12.197 11.342 -7.524 1.00 0.00 H new ATOM 1448 N ASN A 97 10.329 10.437 -5.401 1.00 0.00 N ATOM 1449 CA ASN A 97 9.213 10.636 -4.499 1.00 0.00 C ATOM 1450 C ASN A 97 7.930 10.274 -5.242 1.00 0.00 C ATOM 1451 O ASN A 97 7.126 11.150 -5.535 1.00 0.00 O ATOM 1452 CB ASN A 97 9.187 12.064 -3.906 1.00 0.00 C ATOM 1453 CG ASN A 97 9.380 13.220 -4.890 1.00 0.00 C ATOM 1454 OD1 ASN A 97 9.103 13.143 -6.082 1.00 0.00 O ATOM 1455 ND2 ASN A 97 9.923 14.331 -4.427 1.00 0.00 N ATOM 0 H ASN A 97 10.049 10.403 -6.381 1.00 0.00 H new ATOM 0 HA ASN A 97 9.317 9.982 -3.633 1.00 0.00 H new ATOM 0 HB2 ASN A 97 8.232 12.205 -3.399 1.00 0.00 H new ATOM 0 HB3 ASN A 97 9.965 12.131 -3.145 1.00 0.00 H new ATOM 0 HD21 ASN A 97 10.107 15.111 -5.059 1.00 0.00 H new ATOM 0 HD22 ASN A 97 10.159 14.410 -3.438 1.00 0.00 H new ATOM 1462 N GLN A 98 7.709 8.983 -5.525 1.00 0.00 N ATOM 1463 CA GLN A 98 6.397 8.372 -5.794 1.00 0.00 C ATOM 1464 C GLN A 98 6.593 6.855 -5.822 1.00 0.00 C ATOM 1465 O GLN A 98 7.552 6.361 -6.413 1.00 0.00 O ATOM 1466 CB GLN A 98 5.803 8.855 -7.130 1.00 0.00 C ATOM 1467 CG GLN A 98 4.450 8.210 -7.523 1.00 0.00 C ATOM 1468 CD GLN A 98 4.535 7.171 -8.643 1.00 0.00 C ATOM 1469 OE1 GLN A 98 3.814 6.183 -8.644 1.00 0.00 O ATOM 1470 NE2 GLN A 98 5.343 7.393 -9.662 1.00 0.00 N ATOM 0 H GLN A 98 8.471 8.306 -5.575 1.00 0.00 H new ATOM 0 HA GLN A 98 5.694 8.664 -5.014 1.00 0.00 H new ATOM 0 HB2 GLN A 98 5.671 9.936 -7.081 1.00 0.00 H new ATOM 0 HB3 GLN A 98 6.525 8.658 -7.922 1.00 0.00 H new ATOM 0 HG2 GLN A 98 4.019 7.738 -6.640 1.00 0.00 H new ATOM 0 HG3 GLN A 98 3.763 8.999 -7.830 1.00 0.00 H new ATOM 0 HE21 GLN A 98 5.946 8.216 -9.665 1.00 0.00 H new ATOM 0 HE22 GLN A 98 5.365 6.742 -10.447 1.00 0.00 H new ATOM 1479 N LEU A 99 5.706 6.107 -5.176 1.00 0.00 N ATOM 1480 CA LEU A 99 5.702 4.656 -5.207 1.00 0.00 C ATOM 1481 C LEU A 99 4.935 4.170 -6.429 1.00 0.00 C ATOM 1482 O LEU A 99 3.705 4.284 -6.472 1.00 0.00 O ATOM 1483 CB LEU A 99 5.040 4.087 -3.949 1.00 0.00 C ATOM 1484 CG LEU A 99 5.888 3.105 -3.157 1.00 0.00 C ATOM 1485 CD1 LEU A 99 4.974 2.482 -2.087 1.00 0.00 C ATOM 1486 CD2 LEU A 99 6.587 2.062 -4.035 1.00 0.00 C ATOM 0 H LEU A 99 4.958 6.503 -4.607 1.00 0.00 H new ATOM 0 HA LEU A 99 6.736 4.314 -5.252 1.00 0.00 H new ATOM 0 HB2 LEU A 99 4.767 4.916 -3.295 1.00 0.00 H new ATOM 0 HB3 LEU A 99 4.114 3.591 -4.238 1.00 0.00 H new ATOM 0 HG LEU A 99 6.717 3.629 -2.682 1.00 0.00 H new ATOM 0 HD11 LEU A 99 5.544 1.768 -1.493 1.00 0.00 H new ATOM 0 HD12 LEU A 99 4.587 3.267 -1.438 1.00 0.00 H new ATOM 0 HD13 LEU A 99 4.143 1.969 -2.572 1.00 0.00 H new ATOM 0 HD21 LEU A 99 7.175 1.393 -3.407 1.00 0.00 H new ATOM 0 HD22 LEU A 99 5.840 1.485 -4.579 1.00 0.00 H new ATOM 0 HD23 LEU A 99 7.244 2.565 -4.744 1.00 0.00 H new ATOM 1498 N THR A 100 5.656 3.570 -7.364 1.00 0.00 N ATOM 1499 CA THR A 100 5.056 2.804 -8.451 1.00 0.00 C ATOM 1500 C THR A 100 4.923 1.365 -7.942 1.00 0.00 C ATOM 1501 O THR A 100 5.928 0.726 -7.621 1.00 0.00 O ATOM 1502 CB THR A 100 5.899 2.902 -9.740 1.00 0.00 C ATOM 1503 OG1 THR A 100 6.110 4.254 -10.125 1.00 0.00 O ATOM 1504 CG2 THR A 100 5.239 2.182 -10.921 1.00 0.00 C ATOM 0 H THR A 100 6.675 3.599 -7.392 1.00 0.00 H new ATOM 0 HA THR A 100 4.077 3.198 -8.723 1.00 0.00 H new ATOM 0 HB THR A 100 6.849 2.423 -9.504 1.00 0.00 H new ATOM 0 HG1 THR A 100 5.439 4.825 -9.695 1.00 0.00 H new ATOM 0 HG21 THR A 100 5.870 2.279 -11.805 1.00 0.00 H new ATOM 0 HG22 THR A 100 5.113 1.127 -10.679 1.00 0.00 H new ATOM 0 HG23 THR A 100 4.264 2.628 -11.120 1.00 0.00 H new ATOM 1512 N LEU A 101 3.692 0.867 -7.805 1.00 0.00 N ATOM 1513 CA LEU A 101 3.390 -0.529 -7.497 1.00 0.00 C ATOM 1514 C LEU A 101 2.788 -1.173 -8.719 1.00 0.00 C ATOM 1515 O LEU A 101 1.950 -0.548 -9.364 1.00 0.00 O ATOM 1516 CB LEU A 101 2.358 -0.584 -6.362 1.00 0.00 C ATOM 1517 CG LEU A 101 2.967 -0.764 -4.974 1.00 0.00 C ATOM 1518 CD1 LEU A 101 3.346 -2.201 -4.666 1.00 0.00 C ATOM 1519 CD2 LEU A 101 4.203 0.079 -4.749 1.00 0.00 C ATOM 0 H LEU A 101 2.856 1.442 -7.909 1.00 0.00 H new ATOM 0 HA LEU A 101 4.301 -1.048 -7.200 1.00 0.00 H new ATOM 0 HB2 LEU A 101 1.772 0.335 -6.373 1.00 0.00 H new ATOM 0 HB3 LEU A 101 1.667 -1.405 -6.553 1.00 0.00 H new ATOM 0 HG LEU A 101 2.168 -0.439 -4.307 1.00 0.00 H new ATOM 0 HD11 LEU A 101 3.773 -2.258 -3.665 1.00 0.00 H new ATOM 0 HD12 LEU A 101 2.458 -2.831 -4.718 1.00 0.00 H new ATOM 0 HD13 LEU A 101 4.080 -2.548 -5.393 1.00 0.00 H new ATOM 0 HD21 LEU A 101 4.585 -0.097 -3.743 1.00 0.00 H new ATOM 0 HD22 LEU A 101 4.966 -0.191 -5.479 1.00 0.00 H new ATOM 0 HD23 LEU A 101 3.950 1.133 -4.862 1.00 0.00 H new ATOM 1531 N ALA A 102 3.146 -2.430 -8.967 1.00 0.00 N ATOM 1532 CA ALA A 102 2.634 -3.211 -10.090 1.00 0.00 C ATOM 1533 C ALA A 102 2.482 -4.680 -9.691 1.00 0.00 C ATOM 1534 O ALA A 102 3.277 -5.209 -8.909 1.00 0.00 O ATOM 1535 CB ALA A 102 3.612 -3.067 -11.256 1.00 0.00 C ATOM 0 H ALA A 102 3.809 -2.942 -8.385 1.00 0.00 H new ATOM 0 HA ALA A 102 1.650 -2.845 -10.385 1.00 0.00 H new ATOM 0 HB1 ALA A 102 3.250 -3.643 -12.108 1.00 0.00 H new ATOM 0 HB2 ALA A 102 3.692 -2.017 -11.536 1.00 0.00 H new ATOM 0 HB3 ALA A 102 4.592 -3.439 -10.957 1.00 0.00 H new ATOM 1541 N THR A 103 1.450 -5.360 -10.181 1.00 0.00 N ATOM 1542 CA THR A 103 1.189 -6.770 -10.023 1.00 0.00 C ATOM 1543 C THR A 103 0.245 -7.214 -11.149 1.00 0.00 C ATOM 1544 O THR A 103 -0.347 -6.381 -11.842 1.00 0.00 O ATOM 1545 CB THR A 103 0.523 -7.005 -8.661 1.00 0.00 C ATOM 1546 OG1 THR A 103 0.908 -6.089 -7.655 1.00 0.00 O ATOM 1547 CG2 THR A 103 0.922 -8.355 -8.132 1.00 0.00 C ATOM 0 H THR A 103 0.729 -4.899 -10.736 1.00 0.00 H new ATOM 0 HA THR A 103 2.116 -7.341 -10.071 1.00 0.00 H new ATOM 0 HB THR A 103 -0.545 -6.899 -8.854 1.00 0.00 H new ATOM 0 HG1 THR A 103 0.862 -6.526 -6.779 1.00 0.00 H new ATOM 0 HG21 THR A 103 0.448 -8.521 -7.164 1.00 0.00 H new ATOM 0 HG22 THR A 103 0.602 -9.128 -8.830 1.00 0.00 H new ATOM 0 HG23 THR A 103 2.005 -8.395 -8.017 1.00 0.00 H new ATOM 1555 N ALA A 104 0.010 -8.523 -11.283 1.00 0.00 N ATOM 1556 CA ALA A 104 -0.902 -9.047 -12.294 1.00 0.00 C ATOM 1557 C ALA A 104 -2.310 -8.462 -12.130 1.00 0.00 C ATOM 1558 O ALA A 104 -2.980 -8.177 -13.123 1.00 0.00 O ATOM 1559 CB ALA A 104 -0.926 -10.577 -12.268 1.00 0.00 C ATOM 0 H ALA A 104 0.443 -9.239 -10.699 1.00 0.00 H new ATOM 0 HA ALA A 104 -0.533 -8.737 -13.272 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -1.613 -10.943 -13.031 1.00 0.00 H new ATOM 0 HB2 ALA A 104 0.075 -10.960 -12.467 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -1.257 -10.919 -11.287 1.00 0.00 H new ATOM 1565 N LYS A 105 -2.747 -8.226 -10.889 1.00 0.00 N ATOM 1566 CA LYS A 105 -3.979 -7.501 -10.590 1.00 0.00 C ATOM 1567 C LYS A 105 -4.023 -6.106 -11.226 1.00 0.00 C ATOM 1568 O LYS A 105 -4.857 -5.889 -12.107 1.00 0.00 O ATOM 1569 CB LYS A 105 -4.197 -7.446 -9.071 1.00 0.00 C ATOM 1570 CG LYS A 105 -5.085 -8.566 -8.518 1.00 0.00 C ATOM 1571 CD LYS A 105 -6.547 -8.457 -8.980 1.00 0.00 C ATOM 1572 CE LYS A 105 -6.921 -9.510 -10.032 1.00 0.00 C ATOM 1573 NZ LYS A 105 -8.151 -9.128 -10.759 1.00 0.00 N ATOM 0 H LYS A 105 -2.247 -8.538 -10.056 1.00 0.00 H new ATOM 0 HA LYS A 105 -4.804 -8.051 -11.043 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -3.227 -7.489 -8.575 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -4.643 -6.485 -8.815 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -4.682 -9.529 -8.830 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -5.051 -8.544 -7.429 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -7.204 -8.563 -8.117 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -6.720 -7.462 -9.391 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -6.100 -9.629 -10.739 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -7.067 -10.476 -9.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -8.379 -9.858 -11.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -8.939 -9.038 -10.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -8.002 -8.218 -11.240 1.00 0.00 H new ATOM 1587 N GLN A 106 -3.251 -5.139 -10.723 1.00 0.00 N ATOM 1588 CA GLN A 106 -3.290 -3.744 -11.161 1.00 0.00 C ATOM 1589 C GLN A 106 -1.987 -3.031 -10.771 1.00 0.00 C ATOM 1590 O GLN A 106 -0.999 -3.672 -10.417 1.00 0.00 O ATOM 1591 CB GLN A 106 -4.580 -3.037 -10.692 1.00 0.00 C ATOM 1592 CG GLN A 106 -4.634 -2.743 -9.208 1.00 0.00 C ATOM 1593 CD GLN A 106 -5.739 -1.748 -8.864 1.00 0.00 C ATOM 1594 OE1 GLN A 106 -5.514 -0.685 -8.302 1.00 0.00 O ATOM 1595 NE2 GLN A 106 -6.980 -2.073 -9.168 1.00 0.00 N ATOM 0 H GLN A 106 -2.568 -5.309 -9.985 1.00 0.00 H new ATOM 0 HA GLN A 106 -3.340 -3.704 -12.249 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -4.684 -2.100 -11.239 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -5.436 -3.658 -10.957 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -4.798 -3.671 -8.660 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -3.673 -2.345 -8.882 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -7.175 -2.958 -9.637 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -7.745 -1.440 -8.935 1.00 0.00 H new ATOM 1604 N THR A 107 -1.992 -1.701 -10.825 1.00 0.00 N ATOM 1605 CA THR A 107 -0.881 -0.818 -10.514 1.00 0.00 C ATOM 1606 C THR A 107 -1.450 0.302 -9.629 1.00 0.00 C ATOM 1607 O THR A 107 -2.553 0.792 -9.897 1.00 0.00 O ATOM 1608 CB THR A 107 -0.203 -0.374 -11.840 1.00 0.00 C ATOM 1609 OG1 THR A 107 0.575 0.803 -11.735 1.00 0.00 O ATOM 1610 CG2 THR A 107 -1.188 -0.145 -12.995 1.00 0.00 C ATOM 0 H THR A 107 -2.825 -1.184 -11.105 1.00 0.00 H new ATOM 0 HA THR A 107 -0.076 -1.287 -9.948 1.00 0.00 H new ATOM 0 HB THR A 107 0.443 -1.225 -12.054 1.00 0.00 H new ATOM 0 HG1 THR A 107 1.191 0.721 -10.977 1.00 0.00 H new ATOM 0 HG21 THR A 107 -0.640 0.162 -13.885 1.00 0.00 H new ATOM 0 HG22 THR A 107 -1.727 -1.069 -13.202 1.00 0.00 H new ATOM 0 HG23 THR A 107 -1.898 0.635 -12.719 1.00 0.00 H new ATOM 1618 N LEU A 108 -0.768 0.650 -8.531 1.00 0.00 N ATOM 1619 CA LEU A 108 -1.113 1.764 -7.652 1.00 0.00 C ATOM 1620 C LEU A 108 -0.042 2.840 -7.769 1.00 0.00 C ATOM 1621 O LEU A 108 1.109 2.550 -8.110 1.00 0.00 O ATOM 1622 CB LEU A 108 -1.182 1.314 -6.182 1.00 0.00 C ATOM 1623 CG LEU A 108 -2.436 0.563 -5.724 1.00 0.00 C ATOM 1624 CD1 LEU A 108 -3.715 1.320 -6.071 1.00 0.00 C ATOM 1625 CD2 LEU A 108 -2.541 -0.874 -6.214 1.00 0.00 C ATOM 0 H LEU A 108 0.064 0.146 -8.224 1.00 0.00 H new ATOM 0 HA LEU A 108 -2.089 2.144 -7.954 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -0.320 0.677 -5.986 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -1.074 2.199 -5.555 1.00 0.00 H new ATOM 0 HG LEU A 108 -2.323 0.509 -4.641 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -4.579 0.751 -5.728 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -3.705 2.294 -5.583 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -3.776 1.456 -7.151 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -3.461 -1.320 -5.838 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -2.551 -0.887 -7.304 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -1.686 -1.445 -5.852 1.00 0.00 H new ATOM 1637 N THR A 109 -0.412 4.075 -7.439 1.00 0.00 N ATOM 1638 CA THR A 109 0.432 5.255 -7.535 1.00 0.00 C ATOM 1639 C THR A 109 0.380 5.923 -6.157 1.00 0.00 C ATOM 1640 O THR A 109 -0.512 6.734 -5.881 1.00 0.00 O ATOM 1641 CB THR A 109 -0.114 6.152 -8.664 1.00 0.00 C ATOM 1642 OG1 THR A 109 -0.536 5.407 -9.804 1.00 0.00 O ATOM 1643 CG2 THR A 109 0.866 7.229 -9.114 1.00 0.00 C ATOM 0 H THR A 109 -1.345 4.285 -7.084 1.00 0.00 H new ATOM 0 HA THR A 109 1.470 5.034 -7.785 1.00 0.00 H new ATOM 0 HB THR A 109 -0.979 6.642 -8.217 1.00 0.00 H new ATOM 0 HG1 THR A 109 -0.875 6.021 -10.489 1.00 0.00 H new ATOM 0 HG21 THR A 109 0.415 7.822 -9.910 1.00 0.00 H new ATOM 0 HG22 THR A 109 1.107 7.877 -8.271 1.00 0.00 H new ATOM 0 HG23 THR A 109 1.778 6.760 -9.483 1.00 0.00 H new ATOM 1651 N TYR A 110 1.267 5.514 -5.248 1.00 0.00 N ATOM 1652 CA TYR A 110 1.244 6.008 -3.877 1.00 0.00 C ATOM 1653 C TYR A 110 2.148 7.238 -3.764 1.00 0.00 C ATOM 1654 O TYR A 110 3.253 7.256 -4.307 1.00 0.00 O ATOM 1655 CB TYR A 110 1.691 4.925 -2.899 1.00 0.00 C ATOM 1656 CG TYR A 110 0.777 3.735 -2.704 1.00 0.00 C ATOM 1657 CD1 TYR A 110 -0.296 3.874 -1.816 1.00 0.00 C ATOM 1658 CD2 TYR A 110 1.037 2.481 -3.297 1.00 0.00 C ATOM 1659 CE1 TYR A 110 -1.122 2.786 -1.529 1.00 0.00 C ATOM 1660 CE2 TYR A 110 0.229 1.367 -2.981 1.00 0.00 C ATOM 1661 CZ TYR A 110 -0.860 1.519 -2.089 1.00 0.00 C ATOM 1662 OH TYR A 110 -1.643 0.459 -1.744 1.00 0.00 O ATOM 0 H TYR A 110 2.009 4.841 -5.440 1.00 0.00 H new ATOM 0 HA TYR A 110 0.222 6.286 -3.620 1.00 0.00 H new ATOM 0 HB2 TYR A 110 2.660 4.553 -3.230 1.00 0.00 H new ATOM 0 HB3 TYR A 110 1.845 5.393 -1.927 1.00 0.00 H new ATOM 0 HD1 TYR A 110 -0.486 4.829 -1.350 1.00 0.00 H new ATOM 0 HD2 TYR A 110 1.855 2.373 -3.994 1.00 0.00 H new ATOM 0 HE1 TYR A 110 -1.969 2.916 -0.872 1.00 0.00 H new ATOM 0 HE2 TYR A 110 0.441 0.402 -3.418 1.00 0.00 H new ATOM 0 HH TYR A 110 -1.335 -0.343 -2.216 1.00 0.00 H new ATOM 1672 N LYS A 111 1.709 8.257 -3.027 1.00 0.00 N ATOM 1673 CA LYS A 111 2.445 9.510 -2.852 1.00 0.00 C ATOM 1674 C LYS A 111 3.268 9.424 -1.574 1.00 0.00 C ATOM 1675 O LYS A 111 2.756 8.917 -0.575 1.00 0.00 O ATOM 1676 CB LYS A 111 1.459 10.683 -2.752 1.00 0.00 C ATOM 1677 CG LYS A 111 2.054 12.087 -2.900 1.00 0.00 C ATOM 1678 CD LYS A 111 2.319 12.450 -4.368 1.00 0.00 C ATOM 1679 CE LYS A 111 1.250 13.384 -4.945 1.00 0.00 C ATOM 1680 NZ LYS A 111 1.244 13.371 -6.424 1.00 0.00 N ATOM 0 H LYS A 111 0.820 8.236 -2.527 1.00 0.00 H new ATOM 0 HA LYS A 111 3.103 9.672 -3.706 1.00 0.00 H new ATOM 0 HB2 LYS A 111 0.695 10.553 -3.518 1.00 0.00 H new ATOM 0 HB3 LYS A 111 0.956 10.625 -1.787 1.00 0.00 H new ATOM 0 HG2 LYS A 111 1.372 12.817 -2.464 1.00 0.00 H new ATOM 0 HG3 LYS A 111 2.986 12.146 -2.338 1.00 0.00 H new ATOM 0 HD2 LYS A 111 3.296 12.927 -4.450 1.00 0.00 H new ATOM 0 HD3 LYS A 111 2.359 11.537 -4.963 1.00 0.00 H new ATOM 0 HE2 LYS A 111 0.269 13.085 -4.576 1.00 0.00 H new ATOM 0 HE3 LYS A 111 1.427 14.400 -4.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 0.507 14.016 -6.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 2.172 13.681 -6.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 1.049 12.407 -6.762 1.00 0.00 H new ATOM 1694 N LEU A 112 4.485 9.965 -1.573 1.00 0.00 N ATOM 1695 CA LEU A 112 5.377 10.107 -0.418 1.00 0.00 C ATOM 1696 C LEU A 112 4.885 11.251 0.494 1.00 0.00 C ATOM 1697 O LEU A 112 5.626 12.178 0.813 1.00 0.00 O ATOM 1698 CB LEU A 112 6.827 10.331 -0.923 1.00 0.00 C ATOM 1699 CG LEU A 112 7.898 10.389 0.196 1.00 0.00 C ATOM 1700 CD1 LEU A 112 7.852 9.251 1.220 1.00 0.00 C ATOM 1701 CD2 LEU A 112 9.278 10.392 -0.456 1.00 0.00 C ATOM 0 H LEU A 112 4.901 10.338 -2.426 1.00 0.00 H new ATOM 0 HA LEU A 112 5.369 9.198 0.184 1.00 0.00 H new ATOM 0 HB2 LEU A 112 7.085 9.528 -1.614 1.00 0.00 H new ATOM 0 HB3 LEU A 112 6.861 11.262 -1.489 1.00 0.00 H new ATOM 0 HG LEU A 112 7.684 11.298 0.757 1.00 0.00 H new ATOM 0 HD11 LEU A 112 8.644 9.391 1.956 1.00 0.00 H new ATOM 0 HD12 LEU A 112 6.885 9.253 1.723 1.00 0.00 H new ATOM 0 HD13 LEU A 112 7.994 8.298 0.711 1.00 0.00 H new ATOM 0 HD21 LEU A 112 10.045 10.433 0.317 1.00 0.00 H new ATOM 0 HD22 LEU A 112 9.404 9.484 -1.045 1.00 0.00 H new ATOM 0 HD23 LEU A 112 9.371 11.262 -1.106 1.00 0.00 H new ATOM 1713 N ALA A 113 3.604 11.273 0.858 1.00 0.00 N ATOM 1714 CA ALA A 113 3.068 12.287 1.764 1.00 0.00 C ATOM 1715 C ALA A 113 3.325 11.843 3.204 1.00 0.00 C ATOM 1716 O ALA A 113 2.437 11.327 3.888 1.00 0.00 O ATOM 1717 CB ALA A 113 1.586 12.566 1.498 1.00 0.00 C ATOM 0 H ALA A 113 2.914 10.595 0.536 1.00 0.00 H new ATOM 0 HA ALA A 113 3.579 13.234 1.589 1.00 0.00 H new ATOM 0 HB1 ALA A 113 1.228 13.325 2.193 1.00 0.00 H new ATOM 0 HB2 ALA A 113 1.461 12.922 0.476 1.00 0.00 H new ATOM 0 HB3 ALA A 113 1.013 11.649 1.636 1.00 0.00 H new ATOM 1723 N ASP A 114 4.557 12.029 3.664 1.00 0.00 N ATOM 1724 CA ASP A 114 5.046 11.498 4.935 1.00 0.00 C ATOM 1725 C ASP A 114 5.104 12.549 6.046 1.00 0.00 C ATOM 1726 O ASP A 114 5.675 12.326 7.111 1.00 0.00 O ATOM 1727 CB ASP A 114 6.373 10.765 4.714 1.00 0.00 C ATOM 1728 CG ASP A 114 7.591 11.683 4.693 1.00 0.00 C ATOM 1729 OD1 ASP A 114 7.491 12.840 4.224 1.00 0.00 O ATOM 1730 OD2 ASP A 114 8.677 11.199 5.091 1.00 0.00 O ATOM 0 H ASP A 114 5.260 12.564 3.154 1.00 0.00 H new ATOM 0 HA ASP A 114 4.321 10.771 5.301 1.00 0.00 H new ATOM 0 HB2 ASP A 114 6.503 10.024 5.502 1.00 0.00 H new ATOM 0 HB3 ASP A 114 6.324 10.222 3.770 1.00 0.00 H new