USER MOD reduce.3.24.130724 H: found=0, std=0, add=938, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 940 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 23 LYS NZ :NH3+ -153:sc= 1.26 (180deg=-0.0925) USER MOD Set 1.2: B 51 TYR OH : rot 80:sc= 0.312 USER MOD Set 2.1: A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 51 TYR OH : rot -130:sc= -0.0614 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 169:sc=-1.71e-05 (180deg=-0.0892) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 ASN : amide:sc= -0.0253 K(o=-0.025,f=-0.9) USER MOD Single : A 18 GLN : amide:sc= -1.16 K(o=-1.2,f=-0.0014) USER MOD Single : A 20 THR OG1 : rot 77:sc= 0.848 USER MOD Single : A 24 MET CE :methyl -107:sc= -0.323 (180deg=-2.18!) USER MOD Single : A 27 HIS : no HD1:sc= -1.33! C(o=-1.3!,f=-5.4!) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 41 MET CE :methyl 172:sc= -0.963 (180deg=-1.08) USER MOD Single : A 46 LYS NZ :NH3+ -107:sc= 0.535 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 77:sc= -0.367! USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -0.518 K(o=-0.52,f=-1.8) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : B 9 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00886) USER MOD Single : B 11 LYS NZ :NH3+ 137:sc= 1.17 (180deg=0.875) USER MOD Single : B 13 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0332) USER MOD Single : B 14 LYS NZ :NH3+ -172:sc= -0.0105 (180deg=-0.0825) USER MOD Single : B 16 ASN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : B 18 GLN : amide:sc= -1.48! K(o=-1.5!,f=-0.035) USER MOD Single : B 20 THR OG1 : rot 75:sc= 0.853 USER MOD Single : B 24 MET CE :methyl -117:sc= -0.0683 (180deg=-2.64!) USER MOD Single : B 27 HIS : no HD1:sc= 1.07 K(o=1.1,f=-3.8!) USER MOD Single : B 35 THR OG1 : rot 79:sc= 0.0856 USER MOD Single : B 38 ASN : amide:sc=-0.00295 X(o=-0.003,f=-0.051) USER MOD Single : B 41 MET CE :methyl -110:sc= -0.245 (180deg=-0.766) USER MOD Single : B 46 LYS NZ :NH3+ -130:sc= 1.12 (180deg=0.79) USER MOD Single : B 47 THR OG1 : rot 83:sc= 1.07 USER MOD Single : B 48 TYR OH : rot 30:sc= 0.761 USER MOD Single : B 53 GLN : amide:sc= -0.0466 X(o=-0.047,f=0) USER MOD Single : B 59 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0133) USER MOD Single : B 60 SER OG : rot 72:sc= 1.19 USER MOD Single : B 61 THR OG1 : rot -150:sc= -0.578 USER MOD ----------------------------------------------------------------- ATOM 53 N ALA A 5 29.647 -10.161 -13.384 1.00 0.00 N ATOM 54 CA ALA A 5 28.960 -10.885 -12.324 1.00 0.00 C ATOM 55 C ALA A 5 29.186 -10.208 -10.977 1.00 0.00 C ATOM 56 O ALA A 5 28.381 -10.344 -10.054 1.00 0.00 O ATOM 57 CB ALA A 5 29.428 -12.332 -12.280 1.00 0.00 C ATOM 0 HA ALA A 5 27.891 -10.874 -12.537 1.00 0.00 H new ATOM 0 HB1 ALA A 5 28.905 -12.859 -11.482 1.00 0.00 H new ATOM 0 HB2 ALA A 5 29.214 -12.813 -13.234 1.00 0.00 H new ATOM 0 HB3 ALA A 5 30.501 -12.362 -12.092 1.00 0.00 H new ATOM 63 N GLU A 6 30.286 -9.475 -10.878 1.00 0.00 N ATOM 64 CA GLU A 6 30.610 -8.724 -9.675 1.00 0.00 C ATOM 65 C GLU A 6 29.543 -7.679 -9.418 1.00 0.00 C ATOM 66 O GLU A 6 28.969 -7.604 -8.330 1.00 0.00 O ATOM 67 CB GLU A 6 31.971 -8.031 -9.813 1.00 0.00 C ATOM 68 CG GLU A 6 33.149 -8.974 -10.003 1.00 0.00 C ATOM 69 CD GLU A 6 33.155 -9.677 -11.346 1.00 0.00 C ATOM 70 OE1 GLU A 6 32.583 -9.136 -12.317 1.00 0.00 O ATOM 71 OE2 GLU A 6 33.740 -10.775 -11.440 1.00 0.00 O ATOM 0 H GLU A 6 30.975 -9.385 -11.625 1.00 0.00 H new ATOM 0 HA GLU A 6 30.654 -9.423 -8.840 1.00 0.00 H new ATOM 0 HB2 GLU A 6 31.931 -7.347 -10.661 1.00 0.00 H new ATOM 0 HB3 GLU A 6 32.147 -7.426 -8.923 1.00 0.00 H new ATOM 0 HG2 GLU A 6 34.076 -8.411 -9.893 1.00 0.00 H new ATOM 0 HG3 GLU A 6 33.136 -9.723 -9.211 1.00 0.00 H new ATOM 78 N GLU A 7 29.292 -6.884 -10.444 1.00 0.00 N ATOM 79 CA GLU A 7 28.277 -5.842 -10.395 1.00 0.00 C ATOM 80 C GLU A 7 26.913 -6.450 -10.101 1.00 0.00 C ATOM 81 O GLU A 7 26.143 -5.924 -9.296 1.00 0.00 O ATOM 82 CB GLU A 7 28.237 -5.111 -11.736 1.00 0.00 C ATOM 83 CG GLU A 7 27.531 -3.771 -11.690 1.00 0.00 C ATOM 84 CD GLU A 7 28.315 -2.740 -10.910 1.00 0.00 C ATOM 85 OE1 GLU A 7 29.391 -2.321 -11.390 1.00 0.00 O ATOM 86 OE2 GLU A 7 27.862 -2.342 -9.818 1.00 0.00 O ATOM 0 H GLU A 7 29.785 -6.941 -11.335 1.00 0.00 H new ATOM 0 HA GLU A 7 28.526 -5.138 -9.601 1.00 0.00 H new ATOM 0 HB2 GLU A 7 29.258 -4.960 -12.086 1.00 0.00 H new ATOM 0 HB3 GLU A 7 27.740 -5.746 -12.469 1.00 0.00 H new ATOM 0 HG2 GLU A 7 27.371 -3.411 -12.706 1.00 0.00 H new ATOM 0 HG3 GLU A 7 26.547 -3.896 -11.238 1.00 0.00 H new ATOM 93 N LEU A 8 26.639 -7.574 -10.750 1.00 0.00 N ATOM 94 CA LEU A 8 25.381 -8.274 -10.606 1.00 0.00 C ATOM 95 C LEU A 8 25.151 -8.683 -9.155 1.00 0.00 C ATOM 96 O LEU A 8 24.111 -8.390 -8.571 1.00 0.00 O ATOM 97 CB LEU A 8 25.432 -9.507 -11.501 1.00 0.00 C ATOM 98 CG LEU A 8 24.180 -9.799 -12.316 1.00 0.00 C ATOM 99 CD1 LEU A 8 23.037 -10.262 -11.423 1.00 0.00 C ATOM 100 CD2 LEU A 8 23.771 -8.576 -13.123 1.00 0.00 C ATOM 0 H LEU A 8 27.290 -8.024 -11.393 1.00 0.00 H new ATOM 0 HA LEU A 8 24.556 -7.623 -10.896 1.00 0.00 H new ATOM 0 HB2 LEU A 8 26.270 -9.396 -12.189 1.00 0.00 H new ATOM 0 HB3 LEU A 8 25.644 -10.375 -10.877 1.00 0.00 H new ATOM 0 HG LEU A 8 24.411 -10.609 -13.008 1.00 0.00 H new ATOM 0 HD11 LEU A 8 22.157 -10.463 -12.034 1.00 0.00 H new ATOM 0 HD12 LEU A 8 23.330 -11.172 -10.899 1.00 0.00 H new ATOM 0 HD13 LEU A 8 22.805 -9.483 -10.696 1.00 0.00 H new ATOM 0 HD21 LEU A 8 22.874 -8.804 -13.699 1.00 0.00 H new ATOM 0 HD22 LEU A 8 23.567 -7.746 -12.447 1.00 0.00 H new ATOM 0 HD23 LEU A 8 24.578 -8.301 -13.802 1.00 0.00 H new ATOM 112 N LYS A 9 26.149 -9.335 -8.579 1.00 0.00 N ATOM 113 CA LYS A 9 26.052 -9.868 -7.228 1.00 0.00 C ATOM 114 C LYS A 9 26.077 -8.746 -6.197 1.00 0.00 C ATOM 115 O LYS A 9 25.440 -8.845 -5.148 1.00 0.00 O ATOM 116 CB LYS A 9 27.203 -10.844 -6.986 1.00 0.00 C ATOM 117 CG LYS A 9 26.822 -12.072 -6.181 1.00 0.00 C ATOM 118 CD LYS A 9 27.969 -13.064 -6.147 1.00 0.00 C ATOM 119 CE LYS A 9 27.552 -14.389 -5.537 1.00 0.00 C ATOM 120 NZ LYS A 9 28.651 -15.389 -5.605 1.00 0.00 N ATOM 0 H LYS A 9 27.046 -9.509 -9.032 1.00 0.00 H new ATOM 0 HA LYS A 9 25.103 -10.394 -7.122 1.00 0.00 H new ATOM 0 HB2 LYS A 9 27.601 -11.164 -7.949 1.00 0.00 H new ATOM 0 HB3 LYS A 9 28.006 -10.319 -6.468 1.00 0.00 H new ATOM 0 HG2 LYS A 9 26.556 -11.780 -5.165 1.00 0.00 H new ATOM 0 HG3 LYS A 9 25.941 -12.541 -6.618 1.00 0.00 H new ATOM 0 HD2 LYS A 9 28.336 -13.230 -7.160 1.00 0.00 H new ATOM 0 HD3 LYS A 9 28.795 -12.644 -5.573 1.00 0.00 H new ATOM 0 HE2 LYS A 9 27.261 -14.237 -4.498 1.00 0.00 H new ATOM 0 HE3 LYS A 9 26.676 -14.773 -6.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 28.333 -16.283 -5.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 28.912 -15.551 -6.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 29.478 -15.032 -5.084 1.00 0.00 H new ATOM 134 N ALA A 10 26.803 -7.679 -6.497 1.00 0.00 N ATOM 135 CA ALA A 10 26.885 -6.537 -5.600 1.00 0.00 C ATOM 136 C ALA A 10 25.561 -5.791 -5.553 1.00 0.00 C ATOM 137 O ALA A 10 25.123 -5.343 -4.491 1.00 0.00 O ATOM 138 CB ALA A 10 28.003 -5.605 -6.031 1.00 0.00 C ATOM 0 H ALA A 10 27.344 -7.581 -7.356 1.00 0.00 H new ATOM 0 HA ALA A 10 27.105 -6.905 -4.598 1.00 0.00 H new ATOM 0 HB1 ALA A 10 28.051 -4.755 -5.350 1.00 0.00 H new ATOM 0 HB2 ALA A 10 28.952 -6.141 -6.010 1.00 0.00 H new ATOM 0 HB3 ALA A 10 27.810 -5.248 -7.043 1.00 0.00 H new ATOM 144 N LYS A 11 24.923 -5.659 -6.709 1.00 0.00 N ATOM 145 CA LYS A 11 23.638 -4.988 -6.781 1.00 0.00 C ATOM 146 C LYS A 11 22.542 -5.892 -6.223 1.00 0.00 C ATOM 147 O LYS A 11 21.641 -5.428 -5.527 1.00 0.00 O ATOM 148 CB LYS A 11 23.314 -4.581 -8.220 1.00 0.00 C ATOM 149 CG LYS A 11 22.361 -3.398 -8.302 1.00 0.00 C ATOM 150 CD LYS A 11 22.039 -3.021 -9.739 1.00 0.00 C ATOM 151 CE LYS A 11 21.265 -1.711 -9.809 1.00 0.00 C ATOM 152 NZ LYS A 11 22.124 -0.538 -9.494 1.00 0.00 N ATOM 0 H LYS A 11 25.274 -6.006 -7.602 1.00 0.00 H new ATOM 0 HA LYS A 11 23.689 -4.082 -6.177 1.00 0.00 H new ATOM 0 HB2 LYS A 11 24.240 -4.332 -8.739 1.00 0.00 H new ATOM 0 HB3 LYS A 11 22.875 -5.431 -8.742 1.00 0.00 H new ATOM 0 HG2 LYS A 11 21.438 -3.640 -7.776 1.00 0.00 H new ATOM 0 HG3 LYS A 11 22.803 -2.541 -7.793 1.00 0.00 H new ATOM 0 HD2 LYS A 11 22.964 -2.930 -10.309 1.00 0.00 H new ATOM 0 HD3 LYS A 11 21.455 -3.816 -10.203 1.00 0.00 H new ATOM 0 HE2 LYS A 11 20.842 -1.593 -10.807 1.00 0.00 H new ATOM 0 HE3 LYS A 11 20.429 -1.746 -9.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 21.616 0.338 -9.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 22.356 -0.540 -8.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 23.001 -0.591 -10.050 1.00 0.00 H new ATOM 166 N LEU A 12 22.628 -7.185 -6.525 1.00 0.00 N ATOM 167 CA LEU A 12 21.683 -8.162 -5.990 1.00 0.00 C ATOM 168 C LEU A 12 21.724 -8.159 -4.468 1.00 0.00 C ATOM 169 O LEU A 12 20.688 -8.249 -3.816 1.00 0.00 O ATOM 170 CB LEU A 12 21.993 -9.568 -6.515 1.00 0.00 C ATOM 171 CG LEU A 12 21.063 -10.676 -6.005 1.00 0.00 C ATOM 172 CD1 LEU A 12 19.629 -10.425 -6.447 1.00 0.00 C ATOM 173 CD2 LEU A 12 21.541 -12.037 -6.491 1.00 0.00 C ATOM 0 H LEU A 12 23.342 -7.581 -7.137 1.00 0.00 H new ATOM 0 HA LEU A 12 20.684 -7.881 -6.322 1.00 0.00 H new ATOM 0 HB2 LEU A 12 21.947 -9.550 -7.604 1.00 0.00 H new ATOM 0 HB3 LEU A 12 23.018 -9.822 -6.243 1.00 0.00 H new ATOM 0 HG LEU A 12 21.089 -10.668 -4.915 1.00 0.00 H new ATOM 0 HD11 LEU A 12 18.988 -11.224 -6.074 1.00 0.00 H new ATOM 0 HD12 LEU A 12 19.287 -9.470 -6.049 1.00 0.00 H new ATOM 0 HD13 LEU A 12 19.583 -10.402 -7.536 1.00 0.00 H new ATOM 0 HD21 LEU A 12 20.870 -12.812 -6.120 1.00 0.00 H new ATOM 0 HD22 LEU A 12 21.547 -12.053 -7.581 1.00 0.00 H new ATOM 0 HD23 LEU A 12 22.549 -12.222 -6.120 1.00 0.00 H new ATOM 185 N LYS A 13 22.927 -8.046 -3.917 1.00 0.00 N ATOM 186 CA LYS A 13 23.113 -7.937 -2.473 1.00 0.00 C ATOM 187 C LYS A 13 22.244 -6.814 -1.904 1.00 0.00 C ATOM 188 O LYS A 13 21.529 -6.996 -0.916 1.00 0.00 O ATOM 189 CB LYS A 13 24.589 -7.649 -2.175 1.00 0.00 C ATOM 190 CG LYS A 13 24.933 -7.574 -0.695 1.00 0.00 C ATOM 191 CD LYS A 13 24.837 -8.929 -0.016 1.00 0.00 C ATOM 192 CE LYS A 13 25.245 -8.833 1.444 1.00 0.00 C ATOM 193 NZ LYS A 13 25.171 -10.149 2.138 1.00 0.00 N ATOM 0 H LYS A 13 23.795 -8.027 -4.452 1.00 0.00 H new ATOM 0 HA LYS A 13 22.817 -8.876 -2.005 1.00 0.00 H new ATOM 0 HB2 LYS A 13 25.198 -8.426 -2.637 1.00 0.00 H new ATOM 0 HB3 LYS A 13 24.864 -6.706 -2.647 1.00 0.00 H new ATOM 0 HG2 LYS A 13 25.943 -7.181 -0.578 1.00 0.00 H new ATOM 0 HG3 LYS A 13 24.259 -6.873 -0.202 1.00 0.00 H new ATOM 0 HD2 LYS A 13 23.817 -9.305 -0.089 1.00 0.00 H new ATOM 0 HD3 LYS A 13 25.478 -9.645 -0.531 1.00 0.00 H new ATOM 0 HE2 LYS A 13 26.262 -8.446 1.510 1.00 0.00 H new ATOM 0 HE3 LYS A 13 24.598 -8.119 1.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 25.458 -10.034 3.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 24.196 -10.508 2.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 25.807 -10.825 1.669 1.00 0.00 H new ATOM 207 N LYS A 14 22.321 -5.659 -2.546 1.00 0.00 N ATOM 208 CA LYS A 14 21.550 -4.492 -2.155 1.00 0.00 C ATOM 209 C LYS A 14 20.051 -4.717 -2.367 1.00 0.00 C ATOM 210 O LYS A 14 19.249 -4.530 -1.447 1.00 0.00 O ATOM 211 CB LYS A 14 22.016 -3.283 -2.973 1.00 0.00 C ATOM 212 CG LYS A 14 21.368 -1.981 -2.552 1.00 0.00 C ATOM 213 CD LYS A 14 21.724 -1.625 -1.123 1.00 0.00 C ATOM 214 CE LYS A 14 23.148 -1.099 -1.003 1.00 0.00 C ATOM 215 NZ LYS A 14 23.483 -0.740 0.402 1.00 0.00 N ATOM 0 H LYS A 14 22.922 -5.505 -3.355 1.00 0.00 H new ATOM 0 HA LYS A 14 21.713 -4.310 -1.093 1.00 0.00 H new ATOM 0 HB2 LYS A 14 23.098 -3.187 -2.881 1.00 0.00 H new ATOM 0 HB3 LYS A 14 21.801 -3.463 -4.026 1.00 0.00 H new ATOM 0 HG2 LYS A 14 21.689 -1.181 -3.219 1.00 0.00 H new ATOM 0 HG3 LYS A 14 20.285 -2.063 -2.650 1.00 0.00 H new ATOM 0 HD2 LYS A 14 21.027 -0.873 -0.753 1.00 0.00 H new ATOM 0 HD3 LYS A 14 21.608 -2.505 -0.491 1.00 0.00 H new ATOM 0 HE2 LYS A 14 23.847 -1.854 -1.363 1.00 0.00 H new ATOM 0 HE3 LYS A 14 23.268 -0.224 -1.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 24.460 -0.386 0.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 22.831 -0.002 0.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 23.392 -1.581 1.006 1.00 0.00 H new ATOM 229 N LEU A 15 19.687 -5.122 -3.579 1.00 0.00 N ATOM 230 CA LEU A 15 18.285 -5.301 -3.954 1.00 0.00 C ATOM 231 C LEU A 15 17.603 -6.361 -3.100 1.00 0.00 C ATOM 232 O LEU A 15 16.452 -6.188 -2.696 1.00 0.00 O ATOM 233 CB LEU A 15 18.162 -5.669 -5.440 1.00 0.00 C ATOM 234 CG LEU A 15 18.017 -4.489 -6.415 1.00 0.00 C ATOM 235 CD1 LEU A 15 16.738 -3.721 -6.130 1.00 0.00 C ATOM 236 CD2 LEU A 15 19.216 -3.559 -6.337 1.00 0.00 C ATOM 0 H LEU A 15 20.348 -5.335 -4.326 1.00 0.00 H new ATOM 0 HA LEU A 15 17.782 -4.350 -3.778 1.00 0.00 H new ATOM 0 HB2 LEU A 15 19.042 -6.245 -5.726 1.00 0.00 H new ATOM 0 HB3 LEU A 15 17.299 -6.324 -5.562 1.00 0.00 H new ATOM 0 HG LEU A 15 17.969 -4.894 -7.426 1.00 0.00 H new ATOM 0 HD11 LEU A 15 16.650 -2.889 -6.829 1.00 0.00 H new ATOM 0 HD12 LEU A 15 15.881 -4.385 -6.247 1.00 0.00 H new ATOM 0 HD13 LEU A 15 16.764 -3.337 -5.110 1.00 0.00 H new ATOM 0 HD21 LEU A 15 19.084 -2.735 -7.038 1.00 0.00 H new ATOM 0 HD22 LEU A 15 19.305 -3.164 -5.325 1.00 0.00 H new ATOM 0 HD23 LEU A 15 20.121 -4.110 -6.592 1.00 0.00 H new ATOM 248 N ASN A 16 18.315 -7.447 -2.822 1.00 0.00 N ATOM 249 CA ASN A 16 17.753 -8.560 -2.063 1.00 0.00 C ATOM 250 C ASN A 16 17.364 -8.106 -0.663 1.00 0.00 C ATOM 251 O ASN A 16 16.225 -8.297 -0.235 1.00 0.00 O ATOM 252 CB ASN A 16 18.759 -9.707 -1.958 1.00 0.00 C ATOM 253 CG ASN A 16 18.118 -11.000 -1.491 1.00 0.00 C ATOM 254 OD1 ASN A 16 16.961 -11.290 -1.806 1.00 0.00 O ATOM 255 ND2 ASN A 16 18.858 -11.781 -0.720 1.00 0.00 N ATOM 0 H ASN A 16 19.284 -7.581 -3.111 1.00 0.00 H new ATOM 0 HA ASN A 16 16.866 -8.910 -2.591 1.00 0.00 H new ATOM 0 HB2 ASN A 16 19.226 -9.867 -2.930 1.00 0.00 H new ATOM 0 HB3 ASN A 16 19.553 -9.428 -1.265 1.00 0.00 H new ATOM 0 HD21 ASN A 16 18.475 -12.657 -0.365 1.00 0.00 H new ATOM 0 HD22 ASN A 16 19.811 -11.507 -0.481 1.00 0.00 H new ATOM 262 N ALA A 17 18.313 -7.486 0.036 1.00 0.00 N ATOM 263 CA ALA A 17 18.086 -7.023 1.403 1.00 0.00 C ATOM 264 C ALA A 17 16.959 -6.001 1.451 1.00 0.00 C ATOM 265 O ALA A 17 16.112 -6.031 2.344 1.00 0.00 O ATOM 266 CB ALA A 17 19.360 -6.428 1.984 1.00 0.00 C ATOM 0 H ALA A 17 19.248 -7.293 -0.323 1.00 0.00 H new ATOM 0 HA ALA A 17 17.795 -7.883 2.006 1.00 0.00 H new ATOM 0 HB1 ALA A 17 19.172 -6.089 3.003 1.00 0.00 H new ATOM 0 HB2 ALA A 17 20.144 -7.185 1.993 1.00 0.00 H new ATOM 0 HB3 ALA A 17 19.679 -5.583 1.373 1.00 0.00 H new ATOM 272 N GLN A 18 16.957 -5.103 0.474 1.00 0.00 N ATOM 273 CA GLN A 18 15.940 -4.066 0.378 1.00 0.00 C ATOM 274 C GLN A 18 14.559 -4.681 0.170 1.00 0.00 C ATOM 275 O GLN A 18 13.616 -4.371 0.899 1.00 0.00 O ATOM 276 CB GLN A 18 16.280 -3.116 -0.772 1.00 0.00 C ATOM 277 CG GLN A 18 15.284 -1.983 -0.950 1.00 0.00 C ATOM 278 CD GLN A 18 15.665 -1.053 -2.083 1.00 0.00 C ATOM 279 OE1 GLN A 18 15.361 0.139 -2.053 1.00 0.00 O ATOM 280 NE2 GLN A 18 16.332 -1.588 -3.092 1.00 0.00 N ATOM 0 H GLN A 18 17.655 -5.073 -0.269 1.00 0.00 H new ATOM 0 HA GLN A 18 15.922 -3.504 1.312 1.00 0.00 H new ATOM 0 HB2 GLN A 18 17.270 -2.693 -0.600 1.00 0.00 H new ATOM 0 HB3 GLN A 18 16.334 -3.688 -1.698 1.00 0.00 H new ATOM 0 HG2 GLN A 18 14.295 -2.399 -1.142 1.00 0.00 H new ATOM 0 HG3 GLN A 18 15.216 -1.413 -0.023 1.00 0.00 H new ATOM 0 HE21 GLN A 18 16.565 -2.581 -3.080 1.00 0.00 H new ATOM 0 HE22 GLN A 18 16.613 -1.008 -3.882 1.00 0.00 H new ATOM 289 N ALA A 19 14.454 -5.567 -0.815 1.00 0.00 N ATOM 290 CA ALA A 19 13.185 -6.203 -1.141 1.00 0.00 C ATOM 291 C ALA A 19 12.656 -7.011 0.038 1.00 0.00 C ATOM 292 O ALA A 19 11.480 -6.921 0.372 1.00 0.00 O ATOM 293 CB ALA A 19 13.332 -7.090 -2.368 1.00 0.00 C ATOM 0 H ALA A 19 15.235 -5.861 -1.402 1.00 0.00 H new ATOM 0 HA ALA A 19 12.463 -5.417 -1.363 1.00 0.00 H new ATOM 0 HB1 ALA A 19 12.374 -7.557 -2.596 1.00 0.00 H new ATOM 0 HB2 ALA A 19 13.653 -6.486 -3.217 1.00 0.00 H new ATOM 0 HB3 ALA A 19 14.075 -7.863 -2.171 1.00 0.00 H new ATOM 299 N THR A 20 13.532 -7.787 0.666 1.00 0.00 N ATOM 300 CA THR A 20 13.151 -8.612 1.805 1.00 0.00 C ATOM 301 C THR A 20 12.650 -7.759 2.974 1.00 0.00 C ATOM 302 O THR A 20 11.641 -8.091 3.604 1.00 0.00 O ATOM 303 CB THR A 20 14.335 -9.486 2.269 1.00 0.00 C ATOM 304 OG1 THR A 20 14.791 -10.301 1.181 1.00 0.00 O ATOM 305 CG2 THR A 20 13.945 -10.377 3.442 1.00 0.00 C ATOM 0 H THR A 20 14.515 -7.862 0.404 1.00 0.00 H new ATOM 0 HA THR A 20 12.337 -9.258 1.477 1.00 0.00 H new ATOM 0 HB THR A 20 15.134 -8.821 2.597 1.00 0.00 H new ATOM 0 HG1 THR A 20 15.323 -9.756 0.565 1.00 0.00 H new ATOM 0 HG21 THR A 20 14.803 -10.979 3.743 1.00 0.00 H new ATOM 0 HG22 THR A 20 13.625 -9.757 4.279 1.00 0.00 H new ATOM 0 HG23 THR A 20 13.128 -11.034 3.144 1.00 0.00 H new ATOM 313 N ALA A 21 13.347 -6.658 3.248 1.00 0.00 N ATOM 314 CA ALA A 21 12.989 -5.776 4.355 1.00 0.00 C ATOM 315 C ALA A 21 11.569 -5.246 4.196 1.00 0.00 C ATOM 316 O ALA A 21 10.732 -5.414 5.086 1.00 0.00 O ATOM 317 CB ALA A 21 13.975 -4.621 4.452 1.00 0.00 C ATOM 0 H ALA A 21 14.164 -6.356 2.717 1.00 0.00 H new ATOM 0 HA ALA A 21 13.034 -6.356 5.277 1.00 0.00 H new ATOM 0 HB1 ALA A 21 13.695 -3.972 5.282 1.00 0.00 H new ATOM 0 HB2 ALA A 21 14.978 -5.012 4.620 1.00 0.00 H new ATOM 0 HB3 ALA A 21 13.959 -4.050 3.524 1.00 0.00 H new ATOM 323 N LEU A 22 11.296 -4.628 3.053 1.00 0.00 N ATOM 324 CA LEU A 22 9.974 -4.069 2.782 1.00 0.00 C ATOM 325 C LEU A 22 8.926 -5.178 2.703 1.00 0.00 C ATOM 326 O LEU A 22 7.801 -5.017 3.175 1.00 0.00 O ATOM 327 CB LEU A 22 9.983 -3.256 1.481 1.00 0.00 C ATOM 328 CG LEU A 22 10.547 -1.829 1.579 1.00 0.00 C ATOM 329 CD1 LEU A 22 9.804 -1.031 2.637 1.00 0.00 C ATOM 330 CD2 LEU A 22 12.039 -1.839 1.874 1.00 0.00 C ATOM 0 H LEU A 22 11.971 -4.501 2.299 1.00 0.00 H new ATOM 0 HA LEU A 22 9.715 -3.403 3.605 1.00 0.00 H new ATOM 0 HB2 LEU A 22 10.563 -3.804 0.738 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.961 -3.196 1.107 1.00 0.00 H new ATOM 0 HG LEU A 22 10.400 -1.350 0.611 1.00 0.00 H new ATOM 0 HD11 LEU A 22 10.218 -0.024 2.691 1.00 0.00 H new ATOM 0 HD12 LEU A 22 8.747 -0.975 2.375 1.00 0.00 H new ATOM 0 HD13 LEU A 22 9.913 -1.520 3.605 1.00 0.00 H new ATOM 0 HD21 LEU A 22 12.404 -0.814 1.937 1.00 0.00 H new ATOM 0 HD22 LEU A 22 12.219 -2.347 2.821 1.00 0.00 H new ATOM 0 HD23 LEU A 22 12.564 -2.363 1.076 1.00 0.00 H new ATOM 342 N LYS A 23 9.322 -6.309 2.125 1.00 0.00 N ATOM 343 CA LYS A 23 8.442 -7.464 1.964 1.00 0.00 C ATOM 344 C LYS A 23 7.854 -7.905 3.303 1.00 0.00 C ATOM 345 O LYS A 23 6.638 -8.063 3.440 1.00 0.00 O ATOM 346 CB LYS A 23 9.232 -8.622 1.350 1.00 0.00 C ATOM 347 CG LYS A 23 8.383 -9.768 0.832 1.00 0.00 C ATOM 348 CD LYS A 23 9.250 -10.959 0.440 1.00 0.00 C ATOM 349 CE LYS A 23 10.366 -10.559 -0.518 1.00 0.00 C ATOM 350 NZ LYS A 23 11.302 -11.683 -0.797 1.00 0.00 N ATOM 0 H LYS A 23 10.262 -6.451 1.755 1.00 0.00 H new ATOM 0 HA LYS A 23 7.620 -7.178 1.308 1.00 0.00 H new ATOM 0 HB2 LYS A 23 9.836 -8.236 0.529 1.00 0.00 H new ATOM 0 HB3 LYS A 23 9.922 -9.010 2.099 1.00 0.00 H new ATOM 0 HG2 LYS A 23 7.669 -10.071 1.598 1.00 0.00 H new ATOM 0 HG3 LYS A 23 7.805 -9.436 -0.030 1.00 0.00 H new ATOM 0 HD2 LYS A 23 9.683 -11.403 1.336 1.00 0.00 H new ATOM 0 HD3 LYS A 23 8.628 -11.723 -0.026 1.00 0.00 H new ATOM 0 HE2 LYS A 23 9.930 -10.211 -1.455 1.00 0.00 H new ATOM 0 HE3 LYS A 23 10.922 -9.722 -0.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 12.043 -11.363 -1.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 11.739 -11.999 0.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 10.778 -12.473 -1.225 1.00 0.00 H new ATOM 364 N MET A 24 8.725 -8.100 4.288 1.00 0.00 N ATOM 365 CA MET A 24 8.296 -8.589 5.592 1.00 0.00 C ATOM 366 C MET A 24 7.606 -7.493 6.396 1.00 0.00 C ATOM 367 O MET A 24 6.624 -7.755 7.088 1.00 0.00 O ATOM 368 CB MET A 24 9.481 -9.155 6.388 1.00 0.00 C ATOM 369 CG MET A 24 10.547 -8.125 6.738 1.00 0.00 C ATOM 370 SD MET A 24 11.791 -8.763 7.878 1.00 0.00 S ATOM 371 CE MET A 24 12.459 -10.117 6.916 1.00 0.00 C ATOM 0 H MET A 24 9.727 -7.928 4.208 1.00 0.00 H new ATOM 0 HA MET A 24 7.579 -9.391 5.416 1.00 0.00 H new ATOM 0 HB2 MET A 24 9.106 -9.600 7.309 1.00 0.00 H new ATOM 0 HB3 MET A 24 9.942 -9.957 5.811 1.00 0.00 H new ATOM 0 HG2 MET A 24 11.037 -7.791 5.823 1.00 0.00 H new ATOM 0 HG3 MET A 24 10.069 -7.251 7.181 1.00 0.00 H new ATOM 0 HE1 MET A 24 12.116 -11.064 7.334 1.00 0.00 H new ATOM 0 HE2 MET A 24 12.120 -10.032 5.884 1.00 0.00 H new ATOM 0 HE3 MET A 24 13.548 -10.081 6.944 1.00 0.00 H new ATOM 381 N ASP A 25 8.109 -6.266 6.296 1.00 0.00 N ATOM 382 CA ASP A 25 7.595 -5.172 7.113 1.00 0.00 C ATOM 383 C ASP A 25 6.187 -4.785 6.682 1.00 0.00 C ATOM 384 O ASP A 25 5.304 -4.622 7.521 1.00 0.00 O ATOM 385 CB ASP A 25 8.515 -3.953 7.047 1.00 0.00 C ATOM 386 CG ASP A 25 8.085 -2.859 8.007 1.00 0.00 C ATOM 387 OD1 ASP A 25 8.375 -2.976 9.218 1.00 0.00 O ATOM 388 OD2 ASP A 25 7.457 -1.881 7.564 1.00 0.00 O ATOM 0 H ASP A 25 8.865 -6.006 5.663 1.00 0.00 H new ATOM 0 HA ASP A 25 7.561 -5.523 8.144 1.00 0.00 H new ATOM 0 HB2 ASP A 25 9.536 -4.257 7.279 1.00 0.00 H new ATOM 0 HB3 ASP A 25 8.523 -3.560 6.030 1.00 0.00 H new ATOM 393 N LEU A 26 5.980 -4.670 5.373 1.00 0.00 N ATOM 394 CA LEU A 26 4.678 -4.285 4.832 1.00 0.00 C ATOM 395 C LEU A 26 3.611 -5.314 5.194 1.00 0.00 C ATOM 396 O LEU A 26 2.457 -4.966 5.444 1.00 0.00 O ATOM 397 CB LEU A 26 4.759 -4.127 3.312 1.00 0.00 C ATOM 398 CG LEU A 26 3.467 -3.669 2.631 1.00 0.00 C ATOM 399 CD1 LEU A 26 3.072 -2.280 3.107 1.00 0.00 C ATOM 400 CD2 LEU A 26 3.628 -3.693 1.120 1.00 0.00 C ATOM 0 H LEU A 26 6.696 -4.838 4.667 1.00 0.00 H new ATOM 0 HA LEU A 26 4.398 -3.329 5.274 1.00 0.00 H new ATOM 0 HB2 LEU A 26 5.546 -3.410 3.079 1.00 0.00 H new ATOM 0 HB3 LEU A 26 5.059 -5.082 2.880 1.00 0.00 H new ATOM 0 HG LEU A 26 2.670 -4.360 2.904 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.151 -1.973 2.611 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.915 -2.296 4.186 1.00 0.00 H new ATOM 0 HD13 LEU A 26 3.866 -1.573 2.866 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.701 -3.365 0.650 1.00 0.00 H new ATOM 0 HD22 LEU A 26 4.438 -3.024 0.830 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.860 -4.707 0.795 1.00 0.00 H new ATOM 412 N HIS A 27 4.011 -6.581 5.227 1.00 0.00 N ATOM 413 CA HIS A 27 3.107 -7.668 5.601 1.00 0.00 C ATOM 414 C HIS A 27 2.505 -7.412 6.981 1.00 0.00 C ATOM 415 O HIS A 27 1.290 -7.473 7.162 1.00 0.00 O ATOM 416 CB HIS A 27 3.860 -9.007 5.593 1.00 0.00 C ATOM 417 CG HIS A 27 3.025 -10.193 5.983 1.00 0.00 C ATOM 418 ND1 HIS A 27 3.545 -11.300 6.618 1.00 0.00 N ATOM 419 CD2 HIS A 27 1.709 -10.454 5.798 1.00 0.00 C ATOM 420 CE1 HIS A 27 2.585 -12.190 6.805 1.00 0.00 C ATOM 421 NE2 HIS A 27 1.463 -11.698 6.316 1.00 0.00 N ATOM 0 H HIS A 27 4.958 -6.883 4.999 1.00 0.00 H new ATOM 0 HA HIS A 27 2.297 -7.713 4.872 1.00 0.00 H new ATOM 0 HB2 HIS A 27 4.265 -9.176 4.595 1.00 0.00 H new ATOM 0 HB3 HIS A 27 4.709 -8.936 6.273 1.00 0.00 H new ATOM 0 HD2 HIS A 27 0.987 -9.802 5.329 1.00 0.00 H new ATOM 0 HE1 HIS A 27 2.700 -13.154 7.277 1.00 0.00 H new ATOM 0 HE2 HIS A 27 0.558 -12.168 6.323 1.00 0.00 H new ATOM 430 N ASP A 28 3.365 -7.121 7.945 1.00 0.00 N ATOM 431 CA ASP A 28 2.928 -6.859 9.311 1.00 0.00 C ATOM 432 C ASP A 28 2.298 -5.475 9.424 1.00 0.00 C ATOM 433 O ASP A 28 1.372 -5.267 10.207 1.00 0.00 O ATOM 434 CB ASP A 28 4.105 -6.990 10.286 1.00 0.00 C ATOM 435 CG ASP A 28 4.606 -8.418 10.406 1.00 0.00 C ATOM 436 OD1 ASP A 28 5.259 -8.910 9.463 1.00 0.00 O ATOM 437 OD2 ASP A 28 4.360 -9.050 11.452 1.00 0.00 O ATOM 0 H ASP A 28 4.374 -7.060 7.807 1.00 0.00 H new ATOM 0 HA ASP A 28 2.173 -7.601 9.573 1.00 0.00 H new ATOM 0 HB2 ASP A 28 4.921 -6.349 9.953 1.00 0.00 H new ATOM 0 HB3 ASP A 28 3.799 -6.632 11.269 1.00 0.00 H new ATOM 442 N LEU A 29 2.792 -4.538 8.620 1.00 0.00 N ATOM 443 CA LEU A 29 2.291 -3.167 8.623 1.00 0.00 C ATOM 444 C LEU A 29 0.829 -3.114 8.182 1.00 0.00 C ATOM 445 O LEU A 29 0.030 -2.372 8.746 1.00 0.00 O ATOM 446 CB LEU A 29 3.146 -2.291 7.703 1.00 0.00 C ATOM 447 CG LEU A 29 2.825 -0.796 7.739 1.00 0.00 C ATOM 448 CD1 LEU A 29 3.137 -0.219 9.110 1.00 0.00 C ATOM 449 CD2 LEU A 29 3.601 -0.060 6.660 1.00 0.00 C ATOM 0 H LEU A 29 3.545 -4.705 7.953 1.00 0.00 H new ATOM 0 HA LEU A 29 2.354 -2.787 9.643 1.00 0.00 H new ATOM 0 HB2 LEU A 29 4.194 -2.427 7.970 1.00 0.00 H new ATOM 0 HB3 LEU A 29 3.029 -2.646 6.679 1.00 0.00 H new ATOM 0 HG LEU A 29 1.760 -0.666 7.545 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.903 0.846 9.119 1.00 0.00 H new ATOM 0 HD12 LEU A 29 2.537 -0.728 9.864 1.00 0.00 H new ATOM 0 HD13 LEU A 29 4.195 -0.360 9.332 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.361 1.002 6.700 1.00 0.00 H new ATOM 0 HD22 LEU A 29 4.670 -0.197 6.823 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.330 -0.457 5.682 1.00 0.00 H new ATOM 461 N ALA A 30 0.488 -3.914 7.177 1.00 0.00 N ATOM 462 CA ALA A 30 -0.881 -3.983 6.678 1.00 0.00 C ATOM 463 C ALA A 30 -1.821 -4.544 7.734 1.00 0.00 C ATOM 464 O ALA A 30 -3.019 -4.259 7.735 1.00 0.00 O ATOM 465 CB ALA A 30 -0.941 -4.827 5.415 1.00 0.00 C ATOM 0 H ALA A 30 1.143 -4.526 6.691 1.00 0.00 H new ATOM 0 HA ALA A 30 -1.206 -2.970 6.440 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -1.969 -4.869 5.054 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -0.306 -4.382 4.649 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -0.592 -5.836 5.635 1.00 0.00 H new ATOM 471 N GLU A 31 -1.277 -5.352 8.633 1.00 0.00 N ATOM 472 CA GLU A 31 -2.069 -5.915 9.710 1.00 0.00 C ATOM 473 C GLU A 31 -2.139 -4.928 10.876 1.00 0.00 C ATOM 474 O GLU A 31 -3.073 -4.961 11.676 1.00 0.00 O ATOM 475 CB GLU A 31 -1.491 -7.266 10.151 1.00 0.00 C ATOM 476 CG GLU A 31 -2.470 -8.100 10.961 1.00 0.00 C ATOM 477 CD GLU A 31 -2.000 -9.523 11.185 1.00 0.00 C ATOM 478 OE1 GLU A 31 -1.211 -9.757 12.124 1.00 0.00 O ATOM 479 OE2 GLU A 31 -2.432 -10.417 10.427 1.00 0.00 O ATOM 0 H GLU A 31 -0.295 -5.630 8.636 1.00 0.00 H new ATOM 0 HA GLU A 31 -3.084 -6.092 9.354 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -1.187 -7.829 9.269 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -0.593 -7.094 10.744 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -2.632 -7.622 11.927 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -3.432 -8.118 10.449 1.00 0.00 H new ATOM 486 N ASP A 32 -1.161 -4.029 10.939 1.00 0.00 N ATOM 487 CA ASP A 32 -1.127 -2.981 11.956 1.00 0.00 C ATOM 488 C ASP A 32 -1.844 -1.735 11.435 1.00 0.00 C ATOM 489 O ASP A 32 -1.280 -0.636 11.364 1.00 0.00 O ATOM 490 CB ASP A 32 0.322 -2.655 12.337 1.00 0.00 C ATOM 491 CG ASP A 32 0.419 -1.709 13.518 1.00 0.00 C ATOM 492 OD1 ASP A 32 -0.196 -1.996 14.563 1.00 0.00 O ATOM 493 OD2 ASP A 32 1.114 -0.675 13.405 1.00 0.00 O ATOM 0 H ASP A 32 -0.374 -4.005 10.291 1.00 0.00 H new ATOM 0 HA ASP A 32 -1.641 -3.333 12.851 1.00 0.00 H new ATOM 0 HB2 ASP A 32 0.848 -3.580 12.574 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.828 -2.212 11.479 1.00 0.00 H new ATOM 498 N LEU A 33 -3.100 -1.929 11.061 1.00 0.00 N ATOM 499 CA LEU A 33 -3.932 -0.872 10.497 1.00 0.00 C ATOM 500 C LEU A 33 -4.182 0.260 11.505 1.00 0.00 C ATOM 501 O LEU A 33 -3.971 0.070 12.703 1.00 0.00 O ATOM 502 CB LEU A 33 -5.231 -1.471 9.955 1.00 0.00 C ATOM 503 CG LEU A 33 -5.152 -1.877 8.481 1.00 0.00 C ATOM 504 CD1 LEU A 33 -6.464 -2.470 8.006 1.00 0.00 C ATOM 505 CD2 LEU A 33 -4.767 -0.675 7.629 1.00 0.00 C ATOM 0 H LEU A 33 -3.575 -2.828 11.140 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.398 -0.413 9.665 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.494 -2.345 10.550 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -6.035 -0.746 10.081 1.00 0.00 H new ATOM 0 HG LEU A 33 -4.384 -2.644 8.377 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -6.378 -2.749 6.956 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.699 -3.354 8.598 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -7.259 -1.734 8.122 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.713 -0.973 6.582 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.516 0.108 7.745 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.796 -0.298 7.949 1.00 0.00 H new ATOM 517 N PRO A 34 -4.743 1.414 11.041 1.00 0.00 N ATOM 518 CA PRO A 34 -4.620 2.756 11.601 1.00 0.00 C ATOM 519 C PRO A 34 -3.595 3.025 12.723 1.00 0.00 C ATOM 520 O PRO A 34 -3.729 4.007 13.453 1.00 0.00 O ATOM 521 CB PRO A 34 -6.066 2.982 11.993 1.00 0.00 C ATOM 522 CG PRO A 34 -6.817 2.386 10.821 1.00 0.00 C ATOM 523 CD PRO A 34 -5.812 1.524 10.055 1.00 0.00 C ATOM 0 HA PRO A 34 -4.179 3.457 10.893 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -6.315 2.485 12.930 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -6.291 4.040 12.124 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -7.660 1.786 11.165 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -7.223 3.170 10.181 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -6.224 0.553 9.781 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -5.477 1.999 9.133 1.00 0.00 H new ATOM 531 N THR A 35 -2.590 2.178 12.869 1.00 0.00 N ATOM 532 CA THR A 35 -1.462 2.486 13.730 1.00 0.00 C ATOM 533 C THR A 35 -0.252 2.844 12.870 1.00 0.00 C ATOM 534 O THR A 35 0.158 4.005 12.809 1.00 0.00 O ATOM 535 CB THR A 35 -1.135 1.313 14.672 1.00 0.00 C ATOM 536 OG1 THR A 35 -2.326 0.917 15.370 1.00 0.00 O ATOM 537 CG2 THR A 35 -0.068 1.709 15.681 1.00 0.00 C ATOM 0 H THR A 35 -2.533 1.273 12.403 1.00 0.00 H new ATOM 0 HA THR A 35 -1.725 3.338 14.357 1.00 0.00 H new ATOM 0 HB THR A 35 -0.757 0.483 14.075 1.00 0.00 H new ATOM 0 HG1 THR A 35 -2.121 0.169 15.969 1.00 0.00 H new ATOM 0 HG21 THR A 35 0.146 0.864 16.335 1.00 0.00 H new ATOM 0 HG22 THR A 35 0.841 1.999 15.154 1.00 0.00 H new ATOM 0 HG23 THR A 35 -0.425 2.548 16.278 1.00 0.00 H new ATOM 545 N GLY A 36 0.285 1.851 12.172 1.00 0.00 N ATOM 546 CA GLY A 36 1.361 2.097 11.226 1.00 0.00 C ATOM 547 C GLY A 36 0.831 2.564 9.883 1.00 0.00 C ATOM 548 O GLY A 36 1.594 2.826 8.951 1.00 0.00 O ATOM 0 H GLY A 36 -0.005 0.876 12.243 1.00 0.00 H new ATOM 0 HA2 GLY A 36 2.038 2.849 11.632 1.00 0.00 H new ATOM 0 HA3 GLY A 36 1.942 1.185 11.091 1.00 0.00 H new ATOM 552 N TRP A 37 -0.492 2.681 9.809 1.00 0.00 N ATOM 553 CA TRP A 37 -1.195 3.127 8.611 1.00 0.00 C ATOM 554 C TRP A 37 -0.643 4.454 8.102 1.00 0.00 C ATOM 555 O TRP A 37 -0.594 4.692 6.896 1.00 0.00 O ATOM 556 CB TRP A 37 -2.694 3.242 8.926 1.00 0.00 C ATOM 557 CG TRP A 37 -3.439 4.216 8.067 1.00 0.00 C ATOM 558 CD1 TRP A 37 -3.968 3.991 6.827 1.00 0.00 C ATOM 559 CD2 TRP A 37 -3.749 5.572 8.399 1.00 0.00 C ATOM 560 NE1 TRP A 37 -4.578 5.133 6.367 1.00 0.00 N ATOM 561 CE2 TRP A 37 -4.457 6.115 7.314 1.00 0.00 C ATOM 562 CE3 TRP A 37 -3.494 6.383 9.513 1.00 0.00 C ATOM 563 CZ2 TRP A 37 -4.912 7.430 7.307 1.00 0.00 C ATOM 564 CZ3 TRP A 37 -3.946 7.689 9.502 1.00 0.00 C ATOM 565 CH2 TRP A 37 -4.650 8.200 8.405 1.00 0.00 C ATOM 0 H TRP A 37 -1.113 2.466 10.589 1.00 0.00 H new ATOM 0 HA TRP A 37 -1.044 2.395 7.818 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -3.151 2.258 8.817 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -2.811 3.534 9.969 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -3.915 3.056 6.289 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -5.045 5.233 5.466 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -2.954 5.995 10.364 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -5.454 7.829 6.462 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -3.753 8.325 10.353 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -4.993 9.224 8.427 1.00 0.00 H new ATOM 576 N ASN A 38 -0.199 5.291 9.030 1.00 0.00 N ATOM 577 CA ASN A 38 0.336 6.610 8.707 1.00 0.00 C ATOM 578 C ASN A 38 1.477 6.517 7.694 1.00 0.00 C ATOM 579 O ASN A 38 1.709 7.446 6.921 1.00 0.00 O ATOM 580 CB ASN A 38 0.825 7.286 9.993 1.00 0.00 C ATOM 581 CG ASN A 38 1.452 8.650 9.763 1.00 0.00 C ATOM 582 OD1 ASN A 38 2.662 8.766 9.568 1.00 0.00 O ATOM 583 ND2 ASN A 38 0.639 9.693 9.810 1.00 0.00 N ATOM 0 H ASN A 38 -0.199 5.077 10.027 1.00 0.00 H new ATOM 0 HA ASN A 38 -0.458 7.205 8.255 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -0.015 7.393 10.679 1.00 0.00 H new ATOM 0 HB3 ASN A 38 1.554 6.638 10.480 1.00 0.00 H new ATOM 0 HD21 ASN A 38 1.010 10.635 9.682 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -0.358 9.555 9.974 1.00 0.00 H new ATOM 590 N ARG A 39 2.162 5.380 7.677 1.00 0.00 N ATOM 591 CA ARG A 39 3.356 5.232 6.855 1.00 0.00 C ATOM 592 C ARG A 39 3.162 4.183 5.756 1.00 0.00 C ATOM 593 O ARG A 39 4.080 3.909 4.981 1.00 0.00 O ATOM 594 CB ARG A 39 4.537 4.854 7.753 1.00 0.00 C ATOM 595 CG ARG A 39 5.897 5.204 7.172 1.00 0.00 C ATOM 596 CD ARG A 39 7.007 4.918 8.168 1.00 0.00 C ATOM 597 NE ARG A 39 6.751 5.540 9.467 1.00 0.00 N ATOM 598 CZ ARG A 39 7.699 6.016 10.273 1.00 0.00 C ATOM 599 NH1 ARG A 39 8.970 6.016 9.895 1.00 0.00 N ATOM 600 NH2 ARG A 39 7.364 6.505 11.458 1.00 0.00 N ATOM 0 H ARG A 39 1.913 4.552 8.219 1.00 0.00 H new ATOM 0 HA ARG A 39 3.556 6.182 6.359 1.00 0.00 H new ATOM 0 HB2 ARG A 39 4.424 5.357 8.714 1.00 0.00 H new ATOM 0 HB3 ARG A 39 4.502 3.782 7.948 1.00 0.00 H new ATOM 0 HG2 ARG A 39 6.065 4.630 6.261 1.00 0.00 H new ATOM 0 HG3 ARG A 39 5.917 6.258 6.893 1.00 0.00 H new ATOM 0 HD2 ARG A 39 7.111 3.841 8.296 1.00 0.00 H new ATOM 0 HD3 ARG A 39 7.954 5.284 7.771 1.00 0.00 H new ATOM 0 HE ARG A 39 5.782 5.614 9.776 1.00 0.00 H new ATOM 0 HH11 ARG A 39 9.230 5.649 8.979 1.00 0.00 H new ATOM 0 HH12 ARG A 39 9.688 6.383 10.520 1.00 0.00 H new ATOM 0 HH21 ARG A 39 6.386 6.515 11.748 1.00 0.00 H new ATOM 0 HH22 ARG A 39 8.084 6.871 12.081 1.00 0.00 H new ATOM 614 N ILE A 40 1.957 3.621 5.670 1.00 0.00 N ATOM 615 CA ILE A 40 1.680 2.536 4.727 1.00 0.00 C ATOM 616 C ILE A 40 1.981 2.931 3.281 1.00 0.00 C ATOM 617 O ILE A 40 2.662 2.195 2.568 1.00 0.00 O ATOM 618 CB ILE A 40 0.217 2.039 4.832 1.00 0.00 C ATOM 619 CG1 ILE A 40 0.021 1.229 6.114 1.00 0.00 C ATOM 620 CG2 ILE A 40 -0.177 1.208 3.616 1.00 0.00 C ATOM 621 CD1 ILE A 40 -1.371 0.648 6.269 1.00 0.00 C ATOM 0 H ILE A 40 1.158 3.898 6.240 1.00 0.00 H new ATOM 0 HA ILE A 40 2.349 1.723 5.007 1.00 0.00 H new ATOM 0 HB ILE A 40 -0.431 2.915 4.863 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.747 0.416 6.133 1.00 0.00 H new ATOM 0 HG13 ILE A 40 0.235 1.867 6.971 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -1.209 0.875 3.722 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.082 1.814 2.715 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.478 0.340 3.541 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -1.430 0.088 7.202 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.103 1.456 6.284 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.583 -0.018 5.432 1.00 0.00 H new ATOM 633 N MET A 41 1.491 4.092 2.852 1.00 0.00 N ATOM 634 CA MET A 41 1.637 4.508 1.459 1.00 0.00 C ATOM 635 C MET A 41 3.105 4.616 1.057 1.00 0.00 C ATOM 636 O MET A 41 3.483 4.198 -0.037 1.00 0.00 O ATOM 637 CB MET A 41 0.913 5.835 1.209 1.00 0.00 C ATOM 638 CG MET A 41 1.078 6.358 -0.212 1.00 0.00 C ATOM 639 SD MET A 41 -0.084 7.675 -0.622 1.00 0.00 S ATOM 640 CE MET A 41 -1.628 6.763 -0.645 1.00 0.00 C ATOM 0 H MET A 41 0.993 4.757 3.444 1.00 0.00 H new ATOM 0 HA MET A 41 1.178 3.739 0.838 1.00 0.00 H new ATOM 0 HB2 MET A 41 -0.149 5.706 1.419 1.00 0.00 H new ATOM 0 HB3 MET A 41 1.288 6.582 1.909 1.00 0.00 H new ATOM 0 HG2 MET A 41 2.096 6.727 -0.341 1.00 0.00 H new ATOM 0 HG3 MET A 41 0.946 5.534 -0.913 1.00 0.00 H new ATOM 0 HE1 MET A 41 -2.461 7.460 -0.743 1.00 0.00 H new ATOM 0 HE2 MET A 41 -1.630 6.073 -1.489 1.00 0.00 H new ATOM 0 HE3 MET A 41 -1.733 6.201 0.283 1.00 0.00 H new ATOM 650 N GLU A 42 3.931 5.148 1.949 1.00 0.00 N ATOM 651 CA GLU A 42 5.356 5.284 1.676 1.00 0.00 C ATOM 652 C GLU A 42 6.001 3.913 1.541 1.00 0.00 C ATOM 653 O GLU A 42 6.734 3.643 0.589 1.00 0.00 O ATOM 654 CB GLU A 42 6.051 6.050 2.796 1.00 0.00 C ATOM 655 CG GLU A 42 7.484 6.428 2.458 1.00 0.00 C ATOM 656 CD GLU A 42 8.246 6.954 3.650 1.00 0.00 C ATOM 657 OE1 GLU A 42 8.077 8.137 3.998 1.00 0.00 O ATOM 658 OE2 GLU A 42 9.028 6.185 4.240 1.00 0.00 O ATOM 0 H GLU A 42 3.640 5.491 2.864 1.00 0.00 H new ATOM 0 HA GLU A 42 5.466 5.836 0.742 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.485 6.955 3.015 1.00 0.00 H new ATOM 0 HB3 GLU A 42 6.045 5.443 3.701 1.00 0.00 H new ATOM 0 HG2 GLU A 42 8.001 5.555 2.058 1.00 0.00 H new ATOM 0 HG3 GLU A 42 7.480 7.184 1.672 1.00 0.00 H new ATOM 665 N VAL A 43 5.728 3.057 2.515 1.00 0.00 N ATOM 666 CA VAL A 43 6.267 1.703 2.523 1.00 0.00 C ATOM 667 C VAL A 43 5.820 0.925 1.286 1.00 0.00 C ATOM 668 O VAL A 43 6.638 0.304 0.613 1.00 0.00 O ATOM 669 CB VAL A 43 5.852 0.941 3.800 1.00 0.00 C ATOM 670 CG1 VAL A 43 6.361 -0.493 3.776 1.00 0.00 C ATOM 671 CG2 VAL A 43 6.367 1.665 5.034 1.00 0.00 C ATOM 0 H VAL A 43 5.133 3.277 3.314 1.00 0.00 H new ATOM 0 HA VAL A 43 7.354 1.789 2.509 1.00 0.00 H new ATOM 0 HB VAL A 43 4.763 0.909 3.836 1.00 0.00 H new ATOM 0 HG11 VAL A 43 6.053 -1.004 4.688 1.00 0.00 H new ATOM 0 HG12 VAL A 43 5.946 -1.012 2.912 1.00 0.00 H new ATOM 0 HG13 VAL A 43 7.449 -0.492 3.711 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.068 1.118 5.928 1.00 0.00 H new ATOM 0 HG22 VAL A 43 7.455 1.726 4.993 1.00 0.00 H new ATOM 0 HG23 VAL A 43 5.948 2.671 5.067 1.00 0.00 H new ATOM 681 N ALA A 44 4.526 0.979 0.983 1.00 0.00 N ATOM 682 CA ALA A 44 3.978 0.292 -0.184 1.00 0.00 C ATOM 683 C ALA A 44 4.643 0.781 -1.464 1.00 0.00 C ATOM 684 O ALA A 44 4.960 -0.013 -2.352 1.00 0.00 O ATOM 685 CB ALA A 44 2.472 0.492 -0.261 1.00 0.00 C ATOM 0 H ALA A 44 3.835 1.493 1.531 1.00 0.00 H new ATOM 0 HA ALA A 44 4.184 -0.773 -0.078 1.00 0.00 H new ATOM 0 HB1 ALA A 44 2.080 -0.026 -1.136 1.00 0.00 H new ATOM 0 HB2 ALA A 44 2.005 0.090 0.638 1.00 0.00 H new ATOM 0 HB3 ALA A 44 2.250 1.556 -0.340 1.00 0.00 H new ATOM 691 N GLU A 45 4.857 2.090 -1.543 1.00 0.00 N ATOM 692 CA GLU A 45 5.548 2.696 -2.675 1.00 0.00 C ATOM 693 C GLU A 45 6.928 2.070 -2.858 1.00 0.00 C ATOM 694 O GLU A 45 7.246 1.533 -3.923 1.00 0.00 O ATOM 695 CB GLU A 45 5.690 4.206 -2.454 1.00 0.00 C ATOM 696 CG GLU A 45 6.411 4.931 -3.577 1.00 0.00 C ATOM 697 CD GLU A 45 6.804 6.343 -3.190 1.00 0.00 C ATOM 698 OE1 GLU A 45 7.856 6.516 -2.534 1.00 0.00 O ATOM 699 OE2 GLU A 45 6.064 7.286 -3.534 1.00 0.00 O ATOM 0 H GLU A 45 4.559 2.756 -0.830 1.00 0.00 H new ATOM 0 HA GLU A 45 4.960 2.517 -3.575 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.697 4.640 -2.334 1.00 0.00 H new ATOM 0 HB3 GLU A 45 6.227 4.377 -1.521 1.00 0.00 H new ATOM 0 HG2 GLU A 45 7.304 4.371 -3.854 1.00 0.00 H new ATOM 0 HG3 GLU A 45 5.769 4.963 -4.457 1.00 0.00 H new ATOM 706 N LYS A 46 7.732 2.118 -1.805 1.00 0.00 N ATOM 707 CA LYS A 46 9.098 1.615 -1.862 1.00 0.00 C ATOM 708 C LYS A 46 9.133 0.102 -2.035 1.00 0.00 C ATOM 709 O LYS A 46 10.015 -0.422 -2.709 1.00 0.00 O ATOM 710 CB LYS A 46 9.881 2.046 -0.626 1.00 0.00 C ATOM 711 CG LYS A 46 10.189 3.531 -0.638 1.00 0.00 C ATOM 712 CD LYS A 46 11.085 3.943 0.509 1.00 0.00 C ATOM 713 CE LYS A 46 10.370 3.864 1.850 1.00 0.00 C ATOM 714 NZ LYS A 46 11.164 4.499 2.937 1.00 0.00 N ATOM 0 H LYS A 46 7.462 2.501 -0.899 1.00 0.00 H new ATOM 0 HA LYS A 46 9.576 2.051 -2.739 1.00 0.00 H new ATOM 0 HB2 LYS A 46 9.309 1.802 0.269 1.00 0.00 H new ATOM 0 HB3 LYS A 46 10.813 1.483 -0.572 1.00 0.00 H new ATOM 0 HG2 LYS A 46 10.668 3.792 -1.582 1.00 0.00 H new ATOM 0 HG3 LYS A 46 9.257 4.093 -0.587 1.00 0.00 H new ATOM 0 HD2 LYS A 46 11.965 3.301 0.530 1.00 0.00 H new ATOM 0 HD3 LYS A 46 11.437 4.962 0.346 1.00 0.00 H new ATOM 0 HE2 LYS A 46 9.400 4.355 1.774 1.00 0.00 H new ATOM 0 HE3 LYS A 46 10.181 2.820 2.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 11.561 3.761 3.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 11.938 5.056 2.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 10.549 5.124 3.497 1.00 0.00 H new ATOM 728 N THR A 47 8.168 -0.595 -1.448 1.00 0.00 N ATOM 729 CA THR A 47 8.067 -2.040 -1.620 1.00 0.00 C ATOM 730 C THR A 47 7.822 -2.379 -3.088 1.00 0.00 C ATOM 731 O THR A 47 8.497 -3.235 -3.663 1.00 0.00 O ATOM 732 CB THR A 47 6.931 -2.644 -0.764 1.00 0.00 C ATOM 733 OG1 THR A 47 7.103 -2.277 0.607 1.00 0.00 O ATOM 734 CG2 THR A 47 6.906 -4.162 -0.879 1.00 0.00 C ATOM 0 H THR A 47 7.448 -0.187 -0.852 1.00 0.00 H new ATOM 0 HA THR A 47 9.011 -2.472 -1.289 1.00 0.00 H new ATOM 0 HB THR A 47 5.985 -2.250 -1.136 1.00 0.00 H new ATOM 0 HG1 THR A 47 6.826 -1.345 0.734 1.00 0.00 H new ATOM 0 HG21 THR A 47 6.097 -4.560 -0.266 1.00 0.00 H new ATOM 0 HG22 THR A 47 6.747 -4.445 -1.919 1.00 0.00 H new ATOM 0 HG23 THR A 47 7.856 -4.569 -0.534 1.00 0.00 H new ATOM 742 N TYR A 48 6.867 -1.679 -3.691 1.00 0.00 N ATOM 743 CA TYR A 48 6.516 -1.907 -5.083 1.00 0.00 C ATOM 744 C TYR A 48 7.690 -1.550 -5.987 1.00 0.00 C ATOM 745 O TYR A 48 8.059 -2.322 -6.864 1.00 0.00 O ATOM 746 CB TYR A 48 5.283 -1.083 -5.460 1.00 0.00 C ATOM 747 CG TYR A 48 4.627 -1.511 -6.753 1.00 0.00 C ATOM 748 CD1 TYR A 48 3.745 -2.582 -6.775 1.00 0.00 C ATOM 749 CD2 TYR A 48 4.878 -0.843 -7.945 1.00 0.00 C ATOM 750 CE1 TYR A 48 3.132 -2.978 -7.947 1.00 0.00 C ATOM 751 CE2 TYR A 48 4.267 -1.233 -9.121 1.00 0.00 C ATOM 752 CZ TYR A 48 3.395 -2.300 -9.118 1.00 0.00 C ATOM 753 OH TYR A 48 2.785 -2.692 -10.291 1.00 0.00 O ATOM 0 H TYR A 48 6.322 -0.948 -3.234 1.00 0.00 H new ATOM 0 HA TYR A 48 6.282 -2.963 -5.217 1.00 0.00 H new ATOM 0 HB2 TYR A 48 4.552 -1.152 -4.654 1.00 0.00 H new ATOM 0 HB3 TYR A 48 5.570 -0.035 -5.540 1.00 0.00 H new ATOM 0 HD1 TYR A 48 3.534 -3.115 -5.860 1.00 0.00 H new ATOM 0 HD2 TYR A 48 5.561 -0.006 -7.952 1.00 0.00 H new ATOM 0 HE1 TYR A 48 2.450 -3.815 -7.946 1.00 0.00 H new ATOM 0 HE2 TYR A 48 4.472 -0.703 -10.040 1.00 0.00 H new ATOM 0 HH TYR A 48 3.078 -2.109 -11.023 1.00 0.00 H new ATOM 763 N GLU A 49 8.281 -0.382 -5.751 1.00 0.00 N ATOM 764 CA GLU A 49 9.416 0.090 -6.536 1.00 0.00 C ATOM 765 C GLU A 49 10.624 -0.837 -6.412 1.00 0.00 C ATOM 766 O GLU A 49 11.270 -1.156 -7.412 1.00 0.00 O ATOM 767 CB GLU A 49 9.799 1.498 -6.081 1.00 0.00 C ATOM 768 CG GLU A 49 8.871 2.587 -6.587 1.00 0.00 C ATOM 769 CD GLU A 49 9.267 3.097 -7.955 1.00 0.00 C ATOM 770 OE1 GLU A 49 9.499 2.274 -8.860 1.00 0.00 O ATOM 771 OE2 GLU A 49 9.342 4.331 -8.132 1.00 0.00 O ATOM 0 H GLU A 49 7.988 0.260 -5.015 1.00 0.00 H new ATOM 0 HA GLU A 49 9.115 0.101 -7.584 1.00 0.00 H new ATOM 0 HB2 GLU A 49 9.813 1.525 -4.991 1.00 0.00 H new ATOM 0 HB3 GLU A 49 10.813 1.714 -6.418 1.00 0.00 H new ATOM 0 HG2 GLU A 49 7.852 2.202 -6.628 1.00 0.00 H new ATOM 0 HG3 GLU A 49 8.870 3.417 -5.880 1.00 0.00 H new ATOM 778 N ALA A 50 10.931 -1.264 -5.196 1.00 0.00 N ATOM 779 CA ALA A 50 12.058 -2.161 -4.972 1.00 0.00 C ATOM 780 C ALA A 50 11.833 -3.491 -5.678 1.00 0.00 C ATOM 781 O ALA A 50 12.737 -4.029 -6.316 1.00 0.00 O ATOM 782 CB ALA A 50 12.282 -2.385 -3.484 1.00 0.00 C ATOM 0 H ALA A 50 10.419 -1.006 -4.352 1.00 0.00 H new ATOM 0 HA ALA A 50 12.950 -1.693 -5.388 1.00 0.00 H new ATOM 0 HB1 ALA A 50 13.128 -3.057 -3.341 1.00 0.00 H new ATOM 0 HB2 ALA A 50 12.491 -1.431 -3.000 1.00 0.00 H new ATOM 0 HB3 ALA A 50 11.388 -2.827 -3.044 1.00 0.00 H new ATOM 788 N TYR A 51 10.619 -4.009 -5.577 1.00 0.00 N ATOM 789 CA TYR A 51 10.295 -5.292 -6.172 1.00 0.00 C ATOM 790 C TYR A 51 10.197 -5.187 -7.692 1.00 0.00 C ATOM 791 O TYR A 51 10.631 -6.088 -8.405 1.00 0.00 O ATOM 792 CB TYR A 51 8.991 -5.838 -5.591 1.00 0.00 C ATOM 793 CG TYR A 51 9.116 -7.259 -5.098 1.00 0.00 C ATOM 794 CD1 TYR A 51 9.690 -7.529 -3.864 1.00 0.00 C ATOM 795 CD2 TYR A 51 8.669 -8.327 -5.862 1.00 0.00 C ATOM 796 CE1 TYR A 51 9.824 -8.825 -3.407 1.00 0.00 C ATOM 797 CE2 TYR A 51 8.796 -9.626 -5.410 1.00 0.00 C ATOM 798 CZ TYR A 51 9.373 -9.871 -4.182 1.00 0.00 C ATOM 799 OH TYR A 51 9.507 -11.165 -3.732 1.00 0.00 O ATOM 0 H TYR A 51 9.844 -3.560 -5.089 1.00 0.00 H new ATOM 0 HA TYR A 51 11.102 -5.985 -5.933 1.00 0.00 H new ATOM 0 HB2 TYR A 51 8.671 -5.200 -4.767 1.00 0.00 H new ATOM 0 HB3 TYR A 51 8.212 -5.790 -6.352 1.00 0.00 H new ATOM 0 HD1 TYR A 51 10.038 -6.711 -3.250 1.00 0.00 H new ATOM 0 HD2 TYR A 51 8.215 -8.140 -6.824 1.00 0.00 H new ATOM 0 HE1 TYR A 51 10.280 -9.018 -2.447 1.00 0.00 H new ATOM 0 HE2 TYR A 51 8.444 -10.447 -6.017 1.00 0.00 H new ATOM 0 HH TYR A 51 9.915 -11.715 -4.433 1.00 0.00 H new ATOM 809 N ARG A 52 9.639 -4.085 -8.185 1.00 0.00 N ATOM 810 CA ARG A 52 9.505 -3.882 -9.625 1.00 0.00 C ATOM 811 C ARG A 52 10.882 -3.720 -10.266 1.00 0.00 C ATOM 812 O ARG A 52 11.133 -4.226 -11.357 1.00 0.00 O ATOM 813 CB ARG A 52 8.603 -2.672 -9.922 1.00 0.00 C ATOM 814 CG ARG A 52 9.196 -1.330 -9.560 1.00 0.00 C ATOM 815 CD ARG A 52 8.171 -0.219 -9.683 1.00 0.00 C ATOM 816 NE ARG A 52 7.672 -0.058 -11.047 1.00 0.00 N ATOM 817 CZ ARG A 52 7.619 1.112 -11.682 1.00 0.00 C ATOM 818 NH1 ARG A 52 8.134 2.202 -11.123 1.00 0.00 N ATOM 819 NH2 ARG A 52 7.075 1.190 -12.887 1.00 0.00 N ATOM 0 H ARG A 52 9.274 -3.323 -7.613 1.00 0.00 H new ATOM 0 HA ARG A 52 9.030 -4.761 -10.061 1.00 0.00 H new ATOM 0 HB2 ARG A 52 8.361 -2.671 -10.985 1.00 0.00 H new ATOM 0 HB3 ARG A 52 7.665 -2.796 -9.381 1.00 0.00 H new ATOM 0 HG2 ARG A 52 9.578 -1.363 -8.540 1.00 0.00 H new ATOM 0 HG3 ARG A 52 10.044 -1.118 -10.211 1.00 0.00 H new ATOM 0 HD2 ARG A 52 7.334 -0.428 -9.017 1.00 0.00 H new ATOM 0 HD3 ARG A 52 8.617 0.719 -9.351 1.00 0.00 H new ATOM 0 HE ARG A 52 7.346 -0.889 -11.541 1.00 0.00 H new ATOM 0 HH11 ARG A 52 8.572 2.145 -10.204 1.00 0.00 H new ATOM 0 HH12 ARG A 52 8.091 3.095 -11.613 1.00 0.00 H new ATOM 0 HH21 ARG A 52 6.696 0.353 -13.330 1.00 0.00 H new ATOM 0 HH22 ARG A 52 7.035 2.087 -13.372 1.00 0.00 H new ATOM 833 N GLN A 53 11.776 -3.036 -9.563 1.00 0.00 N ATOM 834 CA GLN A 53 13.154 -2.874 -10.010 1.00 0.00 C ATOM 835 C GLN A 53 13.896 -4.202 -9.932 1.00 0.00 C ATOM 836 O GLN A 53 14.679 -4.534 -10.820 1.00 0.00 O ATOM 837 CB GLN A 53 13.857 -1.820 -9.148 1.00 0.00 C ATOM 838 CG GLN A 53 15.365 -1.754 -9.338 1.00 0.00 C ATOM 839 CD GLN A 53 16.027 -0.821 -8.346 1.00 0.00 C ATOM 840 OE1 GLN A 53 15.515 -0.603 -7.249 1.00 0.00 O ATOM 841 NE2 GLN A 53 17.178 -0.281 -8.710 1.00 0.00 N ATOM 0 H GLN A 53 11.569 -2.581 -8.674 1.00 0.00 H new ATOM 0 HA GLN A 53 13.153 -2.541 -11.048 1.00 0.00 H new ATOM 0 HB2 GLN A 53 13.432 -0.842 -9.373 1.00 0.00 H new ATOM 0 HB3 GLN A 53 13.644 -2.026 -8.099 1.00 0.00 H new ATOM 0 HG2 GLN A 53 15.787 -2.753 -9.231 1.00 0.00 H new ATOM 0 HG3 GLN A 53 15.587 -1.421 -10.352 1.00 0.00 H new ATOM 0 HE21 GLN A 53 17.570 -0.487 -9.629 1.00 0.00 H new ATOM 0 HE22 GLN A 53 17.674 0.341 -8.072 1.00 0.00 H new ATOM 850 N LEU A 54 13.648 -4.954 -8.865 1.00 0.00 N ATOM 851 CA LEU A 54 14.251 -6.270 -8.698 1.00 0.00 C ATOM 852 C LEU A 54 13.793 -7.212 -9.805 1.00 0.00 C ATOM 853 O LEU A 54 14.599 -7.931 -10.392 1.00 0.00 O ATOM 854 CB LEU A 54 13.884 -6.857 -7.333 1.00 0.00 C ATOM 855 CG LEU A 54 14.456 -8.248 -7.046 1.00 0.00 C ATOM 856 CD1 LEU A 54 15.977 -8.214 -7.030 1.00 0.00 C ATOM 857 CD2 LEU A 54 13.918 -8.784 -5.726 1.00 0.00 C ATOM 0 H LEU A 54 13.032 -4.673 -8.102 1.00 0.00 H new ATOM 0 HA LEU A 54 15.334 -6.158 -8.756 1.00 0.00 H new ATOM 0 HB2 LEU A 54 14.228 -6.173 -6.557 1.00 0.00 H new ATOM 0 HB3 LEU A 54 12.798 -6.906 -7.256 1.00 0.00 H new ATOM 0 HG LEU A 54 14.140 -8.919 -7.845 1.00 0.00 H new ATOM 0 HD11 LEU A 54 16.361 -9.213 -6.824 1.00 0.00 H new ATOM 0 HD12 LEU A 54 16.344 -7.877 -8.000 1.00 0.00 H new ATOM 0 HD13 LEU A 54 16.317 -7.528 -6.255 1.00 0.00 H new ATOM 0 HD21 LEU A 54 14.335 -9.773 -5.538 1.00 0.00 H new ATOM 0 HD22 LEU A 54 14.202 -8.111 -4.917 1.00 0.00 H new ATOM 0 HD23 LEU A 54 12.831 -8.852 -5.777 1.00 0.00 H new ATOM 869 N ASP A 55 12.498 -7.197 -10.086 1.00 0.00 N ATOM 870 CA ASP A 55 11.922 -8.050 -11.122 1.00 0.00 C ATOM 871 C ASP A 55 12.481 -7.670 -12.486 1.00 0.00 C ATOM 872 O ASP A 55 12.884 -8.532 -13.263 1.00 0.00 O ATOM 873 CB ASP A 55 10.395 -7.933 -11.119 1.00 0.00 C ATOM 874 CG ASP A 55 9.719 -9.034 -11.909 1.00 0.00 C ATOM 875 OD1 ASP A 55 9.480 -10.118 -11.330 1.00 0.00 O ATOM 876 OD2 ASP A 55 9.402 -8.816 -13.096 1.00 0.00 O ATOM 0 H ASP A 55 11.821 -6.601 -9.610 1.00 0.00 H new ATOM 0 HA ASP A 55 12.190 -9.085 -10.912 1.00 0.00 H new ATOM 0 HB2 ASP A 55 10.036 -7.957 -10.090 1.00 0.00 H new ATOM 0 HB3 ASP A 55 10.109 -6.967 -11.534 1.00 0.00 H new ATOM 881 N GLU A 56 12.526 -6.368 -12.755 1.00 0.00 N ATOM 882 CA GLU A 56 13.125 -5.851 -13.981 1.00 0.00 C ATOM 883 C GLU A 56 14.599 -6.244 -14.083 1.00 0.00 C ATOM 884 O GLU A 56 15.072 -6.653 -15.144 1.00 0.00 O ATOM 885 CB GLU A 56 12.974 -4.328 -14.034 1.00 0.00 C ATOM 886 CG GLU A 56 11.704 -3.863 -14.730 1.00 0.00 C ATOM 887 CD GLU A 56 11.636 -4.298 -16.184 1.00 0.00 C ATOM 888 OE1 GLU A 56 12.350 -3.705 -17.021 1.00 0.00 O ATOM 889 OE2 GLU A 56 10.857 -5.222 -16.499 1.00 0.00 O ATOM 0 H GLU A 56 12.152 -5.648 -12.136 1.00 0.00 H new ATOM 0 HA GLU A 56 12.602 -6.291 -14.830 1.00 0.00 H new ATOM 0 HB2 GLU A 56 12.985 -3.935 -13.017 1.00 0.00 H new ATOM 0 HB3 GLU A 56 13.836 -3.904 -14.549 1.00 0.00 H new ATOM 0 HG2 GLU A 56 10.838 -4.256 -14.197 1.00 0.00 H new ATOM 0 HG3 GLU A 56 11.644 -2.776 -14.678 1.00 0.00 H new ATOM 896 N PHE A 57 15.314 -6.130 -12.972 1.00 0.00 N ATOM 897 CA PHE A 57 16.722 -6.503 -12.913 1.00 0.00 C ATOM 898 C PHE A 57 16.887 -7.995 -13.190 1.00 0.00 C ATOM 899 O PHE A 57 17.783 -8.409 -13.927 1.00 0.00 O ATOM 900 CB PHE A 57 17.285 -6.150 -11.534 1.00 0.00 C ATOM 901 CG PHE A 57 18.758 -6.405 -11.378 1.00 0.00 C ATOM 902 CD1 PHE A 57 19.685 -5.580 -11.994 1.00 0.00 C ATOM 903 CD2 PHE A 57 19.214 -7.460 -10.603 1.00 0.00 C ATOM 904 CE1 PHE A 57 21.037 -5.804 -11.843 1.00 0.00 C ATOM 905 CE2 PHE A 57 20.568 -7.688 -10.451 1.00 0.00 C ATOM 906 CZ PHE A 57 21.479 -6.858 -11.071 1.00 0.00 C ATOM 0 H PHE A 57 14.938 -5.779 -12.091 1.00 0.00 H new ATOM 0 HA PHE A 57 17.272 -5.952 -13.675 1.00 0.00 H new ATOM 0 HB2 PHE A 57 17.088 -5.097 -11.334 1.00 0.00 H new ATOM 0 HB3 PHE A 57 16.748 -6.724 -10.779 1.00 0.00 H new ATOM 0 HD1 PHE A 57 19.345 -4.753 -12.599 1.00 0.00 H new ATOM 0 HD2 PHE A 57 18.504 -8.110 -10.113 1.00 0.00 H new ATOM 0 HE1 PHE A 57 21.750 -5.154 -12.329 1.00 0.00 H new ATOM 0 HE2 PHE A 57 20.913 -8.515 -9.848 1.00 0.00 H new ATOM 0 HZ PHE A 57 22.538 -7.034 -10.952 1.00 0.00 H new ATOM 916 N ARG A 58 15.996 -8.788 -12.609 1.00 0.00 N ATOM 917 CA ARG A 58 16.000 -10.230 -12.785 1.00 0.00 C ATOM 918 C ARG A 58 15.677 -10.596 -14.227 1.00 0.00 C ATOM 919 O ARG A 58 16.300 -11.484 -14.807 1.00 0.00 O ATOM 920 CB ARG A 58 14.993 -10.864 -11.826 1.00 0.00 C ATOM 921 CG ARG A 58 15.509 -10.995 -10.403 1.00 0.00 C ATOM 922 CD ARG A 58 14.392 -11.350 -9.434 1.00 0.00 C ATOM 923 NE ARG A 58 13.705 -12.589 -9.799 1.00 0.00 N ATOM 924 CZ ARG A 58 12.380 -12.688 -9.923 1.00 0.00 C ATOM 925 NH1 ARG A 58 11.612 -11.623 -9.730 1.00 0.00 N ATOM 926 NH2 ARG A 58 11.825 -13.850 -10.247 1.00 0.00 N ATOM 0 H ARG A 58 15.250 -8.447 -12.002 1.00 0.00 H new ATOM 0 HA ARG A 58 16.995 -10.614 -12.559 1.00 0.00 H new ATOM 0 HB2 ARG A 58 14.083 -10.265 -11.820 1.00 0.00 H new ATOM 0 HB3 ARG A 58 14.722 -11.852 -12.198 1.00 0.00 H new ATOM 0 HG2 ARG A 58 16.282 -11.762 -10.365 1.00 0.00 H new ATOM 0 HG3 ARG A 58 15.974 -10.058 -10.096 1.00 0.00 H new ATOM 0 HD2 ARG A 58 14.805 -11.450 -8.430 1.00 0.00 H new ATOM 0 HD3 ARG A 58 13.670 -10.534 -9.402 1.00 0.00 H new ATOM 0 HE ARG A 58 14.269 -13.422 -9.968 1.00 0.00 H new ATOM 0 HH11 ARG A 58 12.034 -10.727 -9.487 1.00 0.00 H new ATOM 0 HH12 ARG A 58 10.599 -11.700 -9.825 1.00 0.00 H new ATOM 0 HH21 ARG A 58 12.412 -14.670 -10.402 1.00 0.00 H new ATOM 0 HH22 ARG A 58 10.812 -13.923 -10.341 1.00 0.00 H new ATOM 940 N LYS A 59 14.709 -9.894 -14.796 1.00 0.00 N ATOM 941 CA LYS A 59 14.342 -10.065 -16.195 1.00 0.00 C ATOM 942 C LYS A 59 15.531 -9.742 -17.098 1.00 0.00 C ATOM 943 O LYS A 59 15.853 -10.496 -18.021 1.00 0.00 O ATOM 944 CB LYS A 59 13.166 -9.142 -16.536 1.00 0.00 C ATOM 945 CG LYS A 59 12.773 -9.159 -18.002 1.00 0.00 C ATOM 946 CD LYS A 59 11.994 -7.910 -18.372 1.00 0.00 C ATOM 947 CE LYS A 59 11.709 -7.859 -19.861 1.00 0.00 C ATOM 948 NZ LYS A 59 11.301 -6.498 -20.295 1.00 0.00 N ATOM 0 H LYS A 59 14.157 -9.192 -14.304 1.00 0.00 H new ATOM 0 HA LYS A 59 14.049 -11.102 -16.359 1.00 0.00 H new ATOM 0 HB2 LYS A 59 12.304 -9.432 -15.936 1.00 0.00 H new ATOM 0 HB3 LYS A 59 13.424 -8.122 -16.251 1.00 0.00 H new ATOM 0 HG2 LYS A 59 13.667 -9.230 -18.621 1.00 0.00 H new ATOM 0 HG3 LYS A 59 12.170 -10.043 -18.210 1.00 0.00 H new ATOM 0 HD2 LYS A 59 11.055 -7.887 -17.819 1.00 0.00 H new ATOM 0 HD3 LYS A 59 12.559 -7.026 -18.077 1.00 0.00 H new ATOM 0 HE2 LYS A 59 12.598 -8.166 -20.413 1.00 0.00 H new ATOM 0 HE3 LYS A 59 10.921 -8.571 -20.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 11.114 -6.501 -21.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 10.439 -6.215 -19.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 12.064 -5.823 -20.084 1.00 0.00 H new ATOM 962 N SER A 60 16.182 -8.618 -16.813 1.00 0.00 N ATOM 963 CA SER A 60 17.299 -8.145 -17.615 1.00 0.00 C ATOM 964 C SER A 60 18.440 -9.159 -17.628 1.00 0.00 C ATOM 965 O SER A 60 18.921 -9.549 -18.694 1.00 0.00 O ATOM 966 CB SER A 60 17.789 -6.792 -17.087 1.00 0.00 C ATOM 967 OG SER A 60 18.763 -6.223 -17.943 1.00 0.00 O ATOM 0 H SER A 60 15.950 -8.015 -16.024 1.00 0.00 H new ATOM 0 HA SER A 60 16.953 -8.021 -18.641 1.00 0.00 H new ATOM 0 HB2 SER A 60 16.944 -6.110 -16.991 1.00 0.00 H new ATOM 0 HB3 SER A 60 18.210 -6.920 -16.090 1.00 0.00 H new ATOM 0 HG SER A 60 19.054 -5.361 -17.580 1.00 0.00 H new ATOM 973 N THR A 61 18.849 -9.605 -16.449 1.00 0.00 N ATOM 974 CA THR A 61 19.964 -10.535 -16.343 1.00 0.00 C ATOM 975 C THR A 61 19.609 -11.892 -16.959 1.00 0.00 C ATOM 976 O THR A 61 20.466 -12.555 -17.540 1.00 0.00 O ATOM 977 CB THR A 61 20.447 -10.711 -14.880 1.00 0.00 C ATOM 978 OG1 THR A 61 21.622 -11.525 -14.846 1.00 0.00 O ATOM 979 CG2 THR A 61 19.375 -11.341 -14.004 1.00 0.00 C ATOM 0 H THR A 61 18.429 -9.340 -15.558 1.00 0.00 H new ATOM 0 HA THR A 61 20.790 -10.101 -16.907 1.00 0.00 H new ATOM 0 HB THR A 61 20.669 -9.718 -14.488 1.00 0.00 H new ATOM 0 HG1 THR A 61 21.921 -11.630 -13.919 1.00 0.00 H new ATOM 0 HG21 THR A 61 19.752 -11.447 -12.987 1.00 0.00 H new ATOM 0 HG22 THR A 61 18.490 -10.705 -13.998 1.00 0.00 H new ATOM 0 HG23 THR A 61 19.113 -12.323 -14.398 1.00 0.00 H new ATOM 1204 N ALA B 5 -27.563 15.012 9.841 1.00 0.00 N ATOM 1205 CA ALA B 5 -27.265 13.681 10.365 1.00 0.00 C ATOM 1206 C ALA B 5 -27.409 12.599 9.298 1.00 0.00 C ATOM 1207 O ALA B 5 -26.733 11.578 9.355 1.00 0.00 O ATOM 1208 CB ALA B 5 -28.171 13.367 11.549 1.00 0.00 C ATOM 0 HA ALA B 5 -26.225 13.686 10.692 1.00 0.00 H new ATOM 0 HB1 ALA B 5 -27.939 12.373 11.931 1.00 0.00 H new ATOM 0 HB2 ALA B 5 -28.010 14.104 12.336 1.00 0.00 H new ATOM 0 HB3 ALA B 5 -29.212 13.399 11.229 1.00 0.00 H new ATOM 1214 N GLU B 6 -28.276 12.833 8.324 1.00 0.00 N ATOM 1215 CA GLU B 6 -28.559 11.837 7.298 1.00 0.00 C ATOM 1216 C GLU B 6 -27.344 11.590 6.412 1.00 0.00 C ATOM 1217 O GLU B 6 -26.891 10.453 6.290 1.00 0.00 O ATOM 1218 CB GLU B 6 -29.759 12.266 6.455 1.00 0.00 C ATOM 1219 CG GLU B 6 -31.016 12.508 7.274 1.00 0.00 C ATOM 1220 CD GLU B 6 -31.491 11.264 8.002 1.00 0.00 C ATOM 1221 OE1 GLU B 6 -30.814 10.826 8.955 1.00 0.00 O ATOM 1222 OE2 GLU B 6 -32.545 10.712 7.617 1.00 0.00 O ATOM 0 H GLU B 6 -28.797 13.704 8.221 1.00 0.00 H new ATOM 0 HA GLU B 6 -28.800 10.900 7.800 1.00 0.00 H new ATOM 0 HB2 GLU B 6 -29.506 13.177 5.913 1.00 0.00 H new ATOM 0 HB3 GLU B 6 -29.963 11.498 5.709 1.00 0.00 H new ATOM 0 HG2 GLU B 6 -30.825 13.298 8.000 1.00 0.00 H new ATOM 0 HG3 GLU B 6 -31.809 12.864 6.617 1.00 0.00 H new ATOM 1229 N GLU B 7 -26.812 12.650 5.811 1.00 0.00 N ATOM 1230 CA GLU B 7 -25.614 12.530 4.986 1.00 0.00 C ATOM 1231 C GLU B 7 -24.466 12.012 5.842 1.00 0.00 C ATOM 1232 O GLU B 7 -23.710 11.146 5.428 1.00 0.00 O ATOM 1233 CB GLU B 7 -25.240 13.886 4.377 1.00 0.00 C ATOM 1234 CG GLU B 7 -24.860 13.833 2.897 1.00 0.00 C ATOM 1235 CD GLU B 7 -23.635 12.979 2.600 1.00 0.00 C ATOM 1236 OE1 GLU B 7 -23.793 11.756 2.408 1.00 0.00 O ATOM 1237 OE2 GLU B 7 -22.517 13.534 2.520 1.00 0.00 O ATOM 0 H GLU B 7 -27.188 13.596 5.879 1.00 0.00 H new ATOM 0 HA GLU B 7 -25.811 11.832 4.173 1.00 0.00 H new ATOM 0 HB2 GLU B 7 -26.081 14.569 4.499 1.00 0.00 H new ATOM 0 HB3 GLU B 7 -24.405 14.304 4.939 1.00 0.00 H new ATOM 0 HG2 GLU B 7 -25.706 13.446 2.329 1.00 0.00 H new ATOM 0 HG3 GLU B 7 -24.677 14.848 2.543 1.00 0.00 H new ATOM 1244 N LEU B 8 -24.387 12.527 7.063 1.00 0.00 N ATOM 1245 CA LEU B 8 -23.327 12.176 7.992 1.00 0.00 C ATOM 1246 C LEU B 8 -23.352 10.681 8.313 1.00 0.00 C ATOM 1247 O LEU B 8 -22.322 10.008 8.277 1.00 0.00 O ATOM 1248 CB LEU B 8 -23.503 13.000 9.273 1.00 0.00 C ATOM 1249 CG LEU B 8 -22.224 13.370 10.017 1.00 0.00 C ATOM 1250 CD1 LEU B 8 -22.522 14.433 11.063 1.00 0.00 C ATOM 1251 CD2 LEU B 8 -21.596 12.151 10.675 1.00 0.00 C ATOM 0 H LEU B 8 -25.058 13.200 7.434 1.00 0.00 H new ATOM 0 HA LEU B 8 -22.362 12.399 7.537 1.00 0.00 H new ATOM 0 HB2 LEU B 8 -24.030 13.920 9.019 1.00 0.00 H new ATOM 0 HB3 LEU B 8 -24.146 12.442 9.954 1.00 0.00 H new ATOM 0 HG LEU B 8 -21.512 13.765 9.292 1.00 0.00 H new ATOM 0 HD11 LEU B 8 -21.604 14.692 11.590 1.00 0.00 H new ATOM 0 HD12 LEU B 8 -22.923 15.321 10.575 1.00 0.00 H new ATOM 0 HD13 LEU B 8 -23.253 14.049 11.775 1.00 0.00 H new ATOM 0 HD21 LEU B 8 -20.686 12.448 11.197 1.00 0.00 H new ATOM 0 HD22 LEU B 8 -22.299 11.719 11.387 1.00 0.00 H new ATOM 0 HD23 LEU B 8 -21.352 11.411 9.913 1.00 0.00 H new ATOM 1263 N LYS B 9 -24.532 10.164 8.609 1.00 0.00 N ATOM 1264 CA LYS B 9 -24.671 8.779 9.031 1.00 0.00 C ATOM 1265 C LYS B 9 -24.553 7.828 7.851 1.00 0.00 C ATOM 1266 O LYS B 9 -23.882 6.798 7.949 1.00 0.00 O ATOM 1267 CB LYS B 9 -26.002 8.587 9.757 1.00 0.00 C ATOM 1268 CG LYS B 9 -25.861 7.783 11.033 1.00 0.00 C ATOM 1269 CD LYS B 9 -24.790 8.389 11.926 1.00 0.00 C ATOM 1270 CE LYS B 9 -24.590 7.597 13.204 1.00 0.00 C ATOM 1271 NZ LYS B 9 -25.752 7.711 14.123 1.00 0.00 N ATOM 0 H LYS B 9 -25.409 10.682 8.565 1.00 0.00 H new ATOM 0 HA LYS B 9 -23.859 8.545 9.719 1.00 0.00 H new ATOM 0 HB2 LYS B 9 -26.427 9.563 9.992 1.00 0.00 H new ATOM 0 HB3 LYS B 9 -26.705 8.085 9.092 1.00 0.00 H new ATOM 0 HG2 LYS B 9 -26.814 7.759 11.562 1.00 0.00 H new ATOM 0 HG3 LYS B 9 -25.603 6.751 10.794 1.00 0.00 H new ATOM 0 HD2 LYS B 9 -23.848 8.436 11.379 1.00 0.00 H new ATOM 0 HD3 LYS B 9 -25.065 9.414 12.176 1.00 0.00 H new ATOM 0 HE2 LYS B 9 -24.426 6.548 12.957 1.00 0.00 H new ATOM 0 HE3 LYS B 9 -23.692 7.950 13.711 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 -25.550 7.196 15.004 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 -25.926 8.713 14.340 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 -26.595 7.304 13.669 1.00 0.00 H new ATOM 1285 N ALA B 10 -25.181 8.181 6.740 1.00 0.00 N ATOM 1286 CA ALA B 10 -25.083 7.379 5.533 1.00 0.00 C ATOM 1287 C ALA B 10 -23.647 7.360 5.025 1.00 0.00 C ATOM 1288 O ALA B 10 -23.167 6.341 4.526 1.00 0.00 O ATOM 1289 CB ALA B 10 -26.025 7.905 4.461 1.00 0.00 C ATOM 0 H ALA B 10 -25.762 9.015 6.650 1.00 0.00 H new ATOM 0 HA ALA B 10 -25.378 6.357 5.772 1.00 0.00 H new ATOM 0 HB1 ALA B 10 -25.936 7.290 3.565 1.00 0.00 H new ATOM 0 HB2 ALA B 10 -27.051 7.866 4.827 1.00 0.00 H new ATOM 0 HB3 ALA B 10 -25.764 8.936 4.221 1.00 0.00 H new ATOM 1295 N LYS B 11 -22.954 8.482 5.185 1.00 0.00 N ATOM 1296 CA LYS B 11 -21.576 8.587 4.745 1.00 0.00 C ATOM 1297 C LYS B 11 -20.662 7.809 5.674 1.00 0.00 C ATOM 1298 O LYS B 11 -19.774 7.098 5.217 1.00 0.00 O ATOM 1299 CB LYS B 11 -21.133 10.045 4.686 1.00 0.00 C ATOM 1300 CG LYS B 11 -20.165 10.326 3.558 1.00 0.00 C ATOM 1301 CD LYS B 11 -19.685 11.762 3.580 1.00 0.00 C ATOM 1302 CE LYS B 11 -19.230 12.203 2.204 1.00 0.00 C ATOM 1303 NZ LYS B 11 -20.386 12.386 1.282 1.00 0.00 N ATOM 0 H LYS B 11 -23.327 9.328 5.616 1.00 0.00 H new ATOM 0 HA LYS B 11 -21.510 8.163 3.743 1.00 0.00 H new ATOM 0 HB2 LYS B 11 -22.011 10.681 4.570 1.00 0.00 H new ATOM 0 HB3 LYS B 11 -20.666 10.315 5.633 1.00 0.00 H new ATOM 0 HG2 LYS B 11 -19.310 9.655 3.636 1.00 0.00 H new ATOM 0 HG3 LYS B 11 -20.648 10.118 2.603 1.00 0.00 H new ATOM 0 HD2 LYS B 11 -20.488 12.412 3.927 1.00 0.00 H new ATOM 0 HD3 LYS B 11 -18.863 11.864 4.289 1.00 0.00 H new ATOM 0 HE2 LYS B 11 -18.676 13.138 2.285 1.00 0.00 H new ATOM 0 HE3 LYS B 11 -18.546 11.462 1.790 1.00 0.00 H new ATOM 0 HZ1 LYS B 11 -20.255 13.258 0.730 1.00 0.00 H new ATOM 0 HZ2 LYS B 11 -20.447 11.573 0.636 1.00 0.00 H new ATOM 0 HZ3 LYS B 11 -21.264 12.455 1.835 1.00 0.00 H new ATOM 1317 N LEU B 12 -20.882 7.943 6.976 1.00 0.00 N ATOM 1318 CA LEU B 12 -20.104 7.194 7.953 1.00 0.00 C ATOM 1319 C LEU B 12 -20.221 5.703 7.673 1.00 0.00 C ATOM 1320 O LEU B 12 -19.220 4.992 7.639 1.00 0.00 O ATOM 1321 CB LEU B 12 -20.572 7.488 9.382 1.00 0.00 C ATOM 1322 CG LEU B 12 -19.819 6.728 10.484 1.00 0.00 C ATOM 1323 CD1 LEU B 12 -18.350 7.124 10.507 1.00 0.00 C ATOM 1324 CD2 LEU B 12 -20.462 6.982 11.839 1.00 0.00 C ATOM 0 H LEU B 12 -21.588 8.560 7.377 1.00 0.00 H new ATOM 0 HA LEU B 12 -19.063 7.505 7.865 1.00 0.00 H new ATOM 0 HB2 LEU B 12 -20.473 8.558 9.567 1.00 0.00 H new ATOM 0 HB3 LEU B 12 -21.633 7.248 9.457 1.00 0.00 H new ATOM 0 HG LEU B 12 -19.880 5.662 10.266 1.00 0.00 H new ATOM 0 HD11 LEU B 12 -17.837 6.573 11.295 1.00 0.00 H new ATOM 0 HD12 LEU B 12 -17.895 6.889 9.545 1.00 0.00 H new ATOM 0 HD13 LEU B 12 -18.265 8.194 10.697 1.00 0.00 H new ATOM 0 HD21 LEU B 12 -19.916 6.436 12.609 1.00 0.00 H new ATOM 0 HD22 LEU B 12 -20.433 8.049 12.061 1.00 0.00 H new ATOM 0 HD23 LEU B 12 -21.498 6.643 11.819 1.00 0.00 H new ATOM 1336 N LYS B 13 -21.451 5.247 7.456 1.00 0.00 N ATOM 1337 CA LYS B 13 -21.703 3.853 7.136 1.00 0.00 C ATOM 1338 C LYS B 13 -20.963 3.455 5.858 1.00 0.00 C ATOM 1339 O LYS B 13 -20.263 2.446 5.828 1.00 0.00 O ATOM 1340 CB LYS B 13 -23.205 3.618 6.974 1.00 0.00 C ATOM 1341 CG LYS B 13 -23.586 2.147 6.962 1.00 0.00 C ATOM 1342 CD LYS B 13 -23.116 1.446 8.226 1.00 0.00 C ATOM 1343 CE LYS B 13 -23.857 1.942 9.460 1.00 0.00 C ATOM 1344 NZ LYS B 13 -25.275 1.492 9.487 1.00 0.00 N ATOM 0 H LYS B 13 -22.289 5.828 7.497 1.00 0.00 H new ATOM 0 HA LYS B 13 -21.334 3.234 7.954 1.00 0.00 H new ATOM 0 HB2 LYS B 13 -23.733 4.116 7.787 1.00 0.00 H new ATOM 0 HB3 LYS B 13 -23.540 4.080 6.045 1.00 0.00 H new ATOM 0 HG2 LYS B 13 -24.668 2.050 6.870 1.00 0.00 H new ATOM 0 HG3 LYS B 13 -23.147 1.662 6.090 1.00 0.00 H new ATOM 0 HD2 LYS B 13 -23.264 0.371 8.121 1.00 0.00 H new ATOM 0 HD3 LYS B 13 -22.046 1.609 8.355 1.00 0.00 H new ATOM 0 HE2 LYS B 13 -23.348 1.584 10.355 1.00 0.00 H new ATOM 0 HE3 LYS B 13 -23.823 3.031 9.488 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 -25.700 1.737 10.404 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 -25.803 1.962 8.724 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 -25.315 0.462 9.351 1.00 0.00 H new ATOM 1358 N LYS B 14 -21.111 4.270 4.820 1.00 0.00 N ATOM 1359 CA LYS B 14 -20.475 4.034 3.539 1.00 0.00 C ATOM 1360 C LYS B 14 -18.950 3.991 3.663 1.00 0.00 C ATOM 1361 O LYS B 14 -18.308 3.044 3.210 1.00 0.00 O ATOM 1362 CB LYS B 14 -20.887 5.154 2.594 1.00 0.00 C ATOM 1363 CG LYS B 14 -20.529 4.906 1.151 1.00 0.00 C ATOM 1364 CD LYS B 14 -21.000 6.048 0.279 1.00 0.00 C ATOM 1365 CE LYS B 14 -22.489 6.311 0.445 1.00 0.00 C ATOM 1366 NZ LYS B 14 -23.314 5.107 0.152 1.00 0.00 N ATOM 0 H LYS B 14 -21.680 5.116 4.848 1.00 0.00 H new ATOM 0 HA LYS B 14 -20.794 3.065 3.156 1.00 0.00 H new ATOM 0 HB2 LYS B 14 -21.964 5.300 2.670 1.00 0.00 H new ATOM 0 HB3 LYS B 14 -20.416 6.081 2.920 1.00 0.00 H new ATOM 0 HG2 LYS B 14 -19.450 4.789 1.054 1.00 0.00 H new ATOM 0 HG3 LYS B 14 -20.982 3.974 0.814 1.00 0.00 H new ATOM 0 HD2 LYS B 14 -20.442 6.950 0.529 1.00 0.00 H new ATOM 0 HD3 LYS B 14 -20.786 5.820 -0.765 1.00 0.00 H new ATOM 0 HE2 LYS B 14 -22.685 6.643 1.464 1.00 0.00 H new ATOM 0 HE3 LYS B 14 -22.788 7.123 -0.218 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 -24.320 5.369 0.146 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 -23.050 4.724 -0.778 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 -23.148 4.386 0.883 1.00 0.00 H new ATOM 1380 N LEU B 15 -18.383 5.018 4.283 1.00 0.00 N ATOM 1381 CA LEU B 15 -16.934 5.144 4.425 1.00 0.00 C ATOM 1382 C LEU B 15 -16.365 4.017 5.282 1.00 0.00 C ATOM 1383 O LEU B 15 -15.332 3.435 4.947 1.00 0.00 O ATOM 1384 CB LEU B 15 -16.575 6.508 5.037 1.00 0.00 C ATOM 1385 CG LEU B 15 -16.416 7.680 4.051 1.00 0.00 C ATOM 1386 CD1 LEU B 15 -15.157 7.526 3.219 1.00 0.00 C ATOM 1387 CD2 LEU B 15 -17.625 7.805 3.137 1.00 0.00 C ATOM 0 H LEU B 15 -18.910 5.785 4.701 1.00 0.00 H new ATOM 0 HA LEU B 15 -16.491 5.072 3.432 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -17.347 6.772 5.760 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -15.643 6.399 5.591 1.00 0.00 H new ATOM 0 HG LEU B 15 -16.336 8.590 4.645 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -15.070 8.367 2.532 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -14.287 7.503 3.876 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -15.208 6.597 2.651 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -17.480 8.642 2.454 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -17.745 6.885 2.564 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -18.518 7.977 3.737 1.00 0.00 H new ATOM 1399 N ASN B 16 -17.051 3.706 6.376 1.00 0.00 N ATOM 1400 CA ASN B 16 -16.617 2.650 7.288 1.00 0.00 C ATOM 1401 C ASN B 16 -16.667 1.296 6.589 1.00 0.00 C ATOM 1402 O ASN B 16 -15.729 0.502 6.674 1.00 0.00 O ATOM 1403 CB ASN B 16 -17.506 2.632 8.536 1.00 0.00 C ATOM 1404 CG ASN B 16 -16.949 1.769 9.656 1.00 0.00 C ATOM 1405 OD1 ASN B 16 -15.738 1.597 9.789 1.00 0.00 O ATOM 1406 ND2 ASN B 16 -17.837 1.231 10.479 1.00 0.00 N ATOM 0 H ASN B 16 -17.914 4.172 6.655 1.00 0.00 H new ATOM 0 HA ASN B 16 -15.589 2.850 7.591 1.00 0.00 H new ATOM 0 HB2 ASN B 16 -17.631 3.652 8.900 1.00 0.00 H new ATOM 0 HB3 ASN B 16 -18.496 2.267 8.263 1.00 0.00 H new ATOM 0 HD21 ASN B 16 -17.525 0.650 11.257 1.00 0.00 H new ATOM 0 HD22 ASN B 16 -18.833 1.398 10.335 1.00 0.00 H new ATOM 1413 N ALA B 17 -17.762 1.053 5.874 1.00 0.00 N ATOM 1414 CA ALA B 17 -17.930 -0.180 5.114 1.00 0.00 C ATOM 1415 C ALA B 17 -16.864 -0.297 4.032 1.00 0.00 C ATOM 1416 O ALA B 17 -16.343 -1.386 3.771 1.00 0.00 O ATOM 1417 CB ALA B 17 -19.322 -0.239 4.497 1.00 0.00 C ATOM 0 H ALA B 17 -18.549 1.698 5.806 1.00 0.00 H new ATOM 0 HA ALA B 17 -17.816 -1.021 5.798 1.00 0.00 H new ATOM 0 HB1 ALA B 17 -19.431 -1.165 3.933 1.00 0.00 H new ATOM 0 HB2 ALA B 17 -20.072 -0.205 5.287 1.00 0.00 H new ATOM 0 HB3 ALA B 17 -19.460 0.611 3.829 1.00 0.00 H new ATOM 1423 N GLN B 18 -16.543 0.832 3.411 1.00 0.00 N ATOM 1424 CA GLN B 18 -15.506 0.882 2.388 1.00 0.00 C ATOM 1425 C GLN B 18 -14.153 0.520 2.988 1.00 0.00 C ATOM 1426 O GLN B 18 -13.411 -0.289 2.432 1.00 0.00 O ATOM 1427 CB GLN B 18 -15.442 2.278 1.768 1.00 0.00 C ATOM 1428 CG GLN B 18 -14.444 2.399 0.627 1.00 0.00 C ATOM 1429 CD GLN B 18 -14.322 3.818 0.106 1.00 0.00 C ATOM 1430 OE1 GLN B 18 -14.069 4.033 -1.078 1.00 0.00 O ATOM 1431 NE2 GLN B 18 -14.485 4.794 0.986 1.00 0.00 N ATOM 0 H GLN B 18 -16.989 1.730 3.600 1.00 0.00 H new ATOM 0 HA GLN B 18 -15.752 0.159 1.610 1.00 0.00 H new ATOM 0 HB2 GLN B 18 -16.432 2.548 1.402 1.00 0.00 H new ATOM 0 HB3 GLN B 18 -15.182 2.998 2.544 1.00 0.00 H new ATOM 0 HG2 GLN B 18 -13.467 2.055 0.966 1.00 0.00 H new ATOM 0 HG3 GLN B 18 -14.748 1.742 -0.188 1.00 0.00 H new ATOM 0 HE21 GLN B 18 -14.694 4.573 1.960 1.00 0.00 H new ATOM 0 HE22 GLN B 18 -14.402 5.767 0.690 1.00 0.00 H new ATOM 1440 N ALA B 19 -13.848 1.114 4.135 1.00 0.00 N ATOM 1441 CA ALA B 19 -12.589 0.863 4.818 1.00 0.00 C ATOM 1442 C ALA B 19 -12.456 -0.608 5.199 1.00 0.00 C ATOM 1443 O ALA B 19 -11.389 -1.200 5.051 1.00 0.00 O ATOM 1444 CB ALA B 19 -12.481 1.746 6.051 1.00 0.00 C ATOM 0 H ALA B 19 -14.460 1.776 4.612 1.00 0.00 H new ATOM 0 HA ALA B 19 -11.774 1.106 4.137 1.00 0.00 H new ATOM 0 HB1 ALA B 19 -11.535 1.551 6.556 1.00 0.00 H new ATOM 0 HB2 ALA B 19 -12.524 2.794 5.753 1.00 0.00 H new ATOM 0 HB3 ALA B 19 -13.306 1.527 6.729 1.00 0.00 H new ATOM 1450 N THR B 20 -13.547 -1.196 5.679 1.00 0.00 N ATOM 1451 CA THR B 20 -13.559 -2.605 6.042 1.00 0.00 C ATOM 1452 C THR B 20 -13.341 -3.493 4.814 1.00 0.00 C ATOM 1453 O THR B 20 -12.712 -4.551 4.900 1.00 0.00 O ATOM 1454 CB THR B 20 -14.882 -2.978 6.741 1.00 0.00 C ATOM 1455 OG1 THR B 20 -15.128 -2.051 7.808 1.00 0.00 O ATOM 1456 CG2 THR B 20 -14.833 -4.393 7.304 1.00 0.00 C ATOM 0 H THR B 20 -14.435 -0.716 5.825 1.00 0.00 H new ATOM 0 HA THR B 20 -12.737 -2.775 6.737 1.00 0.00 H new ATOM 0 HB THR B 20 -15.684 -2.933 6.004 1.00 0.00 H new ATOM 0 HG1 THR B 20 -15.427 -1.195 7.435 1.00 0.00 H new ATOM 0 HG21 THR B 20 -15.781 -4.624 7.790 1.00 0.00 H new ATOM 0 HG22 THR B 20 -14.658 -5.101 6.494 1.00 0.00 H new ATOM 0 HG23 THR B 20 -14.025 -4.467 8.031 1.00 0.00 H new ATOM 1464 N ALA B 21 -13.843 -3.046 3.669 1.00 0.00 N ATOM 1465 CA ALA B 21 -13.636 -3.762 2.419 1.00 0.00 C ATOM 1466 C ALA B 21 -12.157 -3.760 2.048 1.00 0.00 C ATOM 1467 O ALA B 21 -11.589 -4.797 1.706 1.00 0.00 O ATOM 1468 CB ALA B 21 -14.467 -3.146 1.303 1.00 0.00 C ATOM 0 H ALA B 21 -14.395 -2.193 3.582 1.00 0.00 H new ATOM 0 HA ALA B 21 -13.960 -4.794 2.554 1.00 0.00 H new ATOM 0 HB1 ALA B 21 -14.298 -3.696 0.377 1.00 0.00 H new ATOM 0 HB2 ALA B 21 -15.524 -3.195 1.566 1.00 0.00 H new ATOM 0 HB3 ALA B 21 -14.176 -2.105 1.165 1.00 0.00 H new ATOM 1474 N LEU B 22 -11.534 -2.592 2.141 1.00 0.00 N ATOM 1475 CA LEU B 22 -10.108 -2.459 1.857 1.00 0.00 C ATOM 1476 C LEU B 22 -9.279 -3.214 2.887 1.00 0.00 C ATOM 1477 O LEU B 22 -8.224 -3.758 2.563 1.00 0.00 O ATOM 1478 CB LEU B 22 -9.688 -0.984 1.814 1.00 0.00 C ATOM 1479 CG LEU B 22 -9.861 -0.280 0.460 1.00 0.00 C ATOM 1480 CD1 LEU B 22 -9.092 -1.016 -0.626 1.00 0.00 C ATOM 1481 CD2 LEU B 22 -11.328 -0.162 0.083 1.00 0.00 C ATOM 0 H LEU B 22 -11.993 -1.722 2.411 1.00 0.00 H new ATOM 0 HA LEU B 22 -9.923 -2.895 0.875 1.00 0.00 H new ATOM 0 HB2 LEU B 22 -10.265 -0.439 2.562 1.00 0.00 H new ATOM 0 HB3 LEU B 22 -8.640 -0.915 2.107 1.00 0.00 H new ATOM 0 HG LEU B 22 -9.456 0.728 0.554 1.00 0.00 H new ATOM 0 HD11 LEU B 22 -9.226 -0.503 -1.578 1.00 0.00 H new ATOM 0 HD12 LEU B 22 -8.032 -1.037 -0.371 1.00 0.00 H new ATOM 0 HD13 LEU B 22 -9.465 -2.037 -0.708 1.00 0.00 H new ATOM 0 HD21 LEU B 22 -11.417 0.341 -0.880 1.00 0.00 H new ATOM 0 HD22 LEU B 22 -11.767 -1.157 0.015 1.00 0.00 H new ATOM 0 HD23 LEU B 22 -11.854 0.415 0.843 1.00 0.00 H new ATOM 1493 N LYS B 23 -9.771 -3.257 4.124 1.00 0.00 N ATOM 1494 CA LYS B 23 -9.104 -3.991 5.195 1.00 0.00 C ATOM 1495 C LYS B 23 -8.869 -5.444 4.788 1.00 0.00 C ATOM 1496 O LYS B 23 -7.753 -5.956 4.888 1.00 0.00 O ATOM 1497 CB LYS B 23 -9.943 -3.957 6.478 1.00 0.00 C ATOM 1498 CG LYS B 23 -9.273 -4.643 7.662 1.00 0.00 C ATOM 1499 CD LYS B 23 -10.257 -4.941 8.787 1.00 0.00 C ATOM 1500 CE LYS B 23 -10.923 -3.684 9.329 1.00 0.00 C ATOM 1501 NZ LYS B 23 -9.934 -2.703 9.850 1.00 0.00 N ATOM 0 H LYS B 23 -10.632 -2.790 4.409 1.00 0.00 H new ATOM 0 HA LYS B 23 -8.144 -3.509 5.380 1.00 0.00 H new ATOM 0 HB2 LYS B 23 -10.150 -2.919 6.739 1.00 0.00 H new ATOM 0 HB3 LYS B 23 -10.904 -4.436 6.287 1.00 0.00 H new ATOM 0 HG2 LYS B 23 -8.813 -5.573 7.328 1.00 0.00 H new ATOM 0 HG3 LYS B 23 -8.471 -4.009 8.041 1.00 0.00 H new ATOM 0 HD2 LYS B 23 -11.023 -5.626 8.423 1.00 0.00 H new ATOM 0 HD3 LYS B 23 -9.734 -5.449 9.597 1.00 0.00 H new ATOM 0 HE2 LYS B 23 -11.513 -3.218 8.539 1.00 0.00 H new ATOM 0 HE3 LYS B 23 -11.616 -3.957 10.125 1.00 0.00 H new ATOM 0 HZ1 LYS B 23 -10.380 -2.118 10.585 1.00 0.00 H new ATOM 0 HZ2 LYS B 23 -9.122 -3.211 10.256 1.00 0.00 H new ATOM 0 HZ3 LYS B 23 -9.607 -2.093 9.073 1.00 0.00 H new ATOM 1515 N MET B 24 -9.922 -6.101 4.316 1.00 0.00 N ATOM 1516 CA MET B 24 -9.836 -7.512 3.976 1.00 0.00 C ATOM 1517 C MET B 24 -9.085 -7.722 2.669 1.00 0.00 C ATOM 1518 O MET B 24 -8.395 -8.725 2.510 1.00 0.00 O ATOM 1519 CB MET B 24 -11.228 -8.151 3.915 1.00 0.00 C ATOM 1520 CG MET B 24 -12.160 -7.552 2.876 1.00 0.00 C ATOM 1521 SD MET B 24 -13.805 -8.283 2.934 1.00 0.00 S ATOM 1522 CE MET B 24 -14.631 -7.345 1.652 1.00 0.00 C ATOM 0 H MET B 24 -10.839 -5.681 4.162 1.00 0.00 H new ATOM 0 HA MET B 24 -9.272 -8.007 4.767 1.00 0.00 H new ATOM 0 HB2 MET B 24 -11.115 -9.216 3.710 1.00 0.00 H new ATOM 0 HB3 MET B 24 -11.696 -8.063 4.896 1.00 0.00 H new ATOM 0 HG2 MET B 24 -12.237 -6.477 3.036 1.00 0.00 H new ATOM 0 HG3 MET B 24 -11.735 -7.697 1.883 1.00 0.00 H new ATOM 0 HE1 MET B 24 -15.447 -6.770 2.090 1.00 0.00 H new ATOM 0 HE2 MET B 24 -13.920 -6.666 1.182 1.00 0.00 H new ATOM 0 HE3 MET B 24 -15.030 -8.027 0.902 1.00 0.00 H new ATOM 1532 N ASP B 25 -9.202 -6.773 1.745 1.00 0.00 N ATOM 1533 CA ASP B 25 -8.464 -6.847 0.486 1.00 0.00 C ATOM 1534 C ASP B 25 -6.967 -6.719 0.731 1.00 0.00 C ATOM 1535 O ASP B 25 -6.175 -7.493 0.194 1.00 0.00 O ATOM 1536 CB ASP B 25 -8.917 -5.757 -0.487 1.00 0.00 C ATOM 1537 CG ASP B 25 -9.985 -6.229 -1.456 1.00 0.00 C ATOM 1538 OD1 ASP B 25 -9.627 -6.770 -2.528 1.00 0.00 O ATOM 1539 OD2 ASP B 25 -11.185 -6.046 -1.165 1.00 0.00 O ATOM 0 H ASP B 25 -9.796 -5.949 1.842 1.00 0.00 H new ATOM 0 HA ASP B 25 -8.673 -7.820 0.042 1.00 0.00 H new ATOM 0 HB2 ASP B 25 -9.299 -4.908 0.080 1.00 0.00 H new ATOM 0 HB3 ASP B 25 -8.055 -5.401 -1.051 1.00 0.00 H new ATOM 1544 N LEU B 26 -6.586 -5.748 1.555 1.00 0.00 N ATOM 1545 CA LEU B 26 -5.178 -5.494 1.840 1.00 0.00 C ATOM 1546 C LEU B 26 -4.574 -6.617 2.672 1.00 0.00 C ATOM 1547 O LEU B 26 -3.466 -7.072 2.391 1.00 0.00 O ATOM 1548 CB LEU B 26 -5.000 -4.156 2.562 1.00 0.00 C ATOM 1549 CG LEU B 26 -3.545 -3.746 2.818 1.00 0.00 C ATOM 1550 CD1 LEU B 26 -2.808 -3.522 1.506 1.00 0.00 C ATOM 1551 CD2 LEU B 26 -3.486 -2.497 3.680 1.00 0.00 C ATOM 0 H LEU B 26 -7.233 -5.124 2.037 1.00 0.00 H new ATOM 0 HA LEU B 26 -4.653 -5.450 0.886 1.00 0.00 H new ATOM 0 HB2 LEU B 26 -5.483 -3.376 1.974 1.00 0.00 H new ATOM 0 HB3 LEU B 26 -5.522 -4.204 3.518 1.00 0.00 H new ATOM 0 HG LEU B 26 -3.052 -4.558 3.352 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -1.778 -3.232 1.712 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -2.816 -4.443 0.922 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -3.302 -2.731 0.942 1.00 0.00 H new ATOM 0 HD21 LEU B 26 -2.445 -2.222 3.851 1.00 0.00 H new ATOM 0 HD22 LEU B 26 -3.999 -1.680 3.172 1.00 0.00 H new ATOM 0 HD23 LEU B 26 -3.971 -2.692 4.636 1.00 0.00 H new ATOM 1563 N HIS B 27 -5.295 -7.072 3.691 1.00 0.00 N ATOM 1564 CA HIS B 27 -4.789 -8.144 4.541 1.00 0.00 C ATOM 1565 C HIS B 27 -4.661 -9.434 3.738 1.00 0.00 C ATOM 1566 O HIS B 27 -3.694 -10.176 3.897 1.00 0.00 O ATOM 1567 CB HIS B 27 -5.683 -8.358 5.766 1.00 0.00 C ATOM 1568 CG HIS B 27 -5.099 -9.311 6.769 1.00 0.00 C ATOM 1569 ND1 HIS B 27 -5.790 -10.385 7.282 1.00 0.00 N ATOM 1570 CD2 HIS B 27 -3.877 -9.341 7.355 1.00 0.00 C ATOM 1571 CE1 HIS B 27 -5.019 -11.035 8.135 1.00 0.00 C ATOM 1572 NE2 HIS B 27 -3.853 -10.423 8.199 1.00 0.00 N ATOM 0 H HIS B 27 -6.218 -6.722 3.946 1.00 0.00 H new ATOM 0 HA HIS B 27 -3.803 -7.852 4.902 1.00 0.00 H new ATOM 0 HB2 HIS B 27 -5.861 -7.397 6.249 1.00 0.00 H new ATOM 0 HB3 HIS B 27 -6.652 -8.735 5.439 1.00 0.00 H new ATOM 0 HD2 HIS B 27 -3.071 -8.642 7.188 1.00 0.00 H new ATOM 0 HE1 HIS B 27 -5.297 -11.920 8.688 1.00 0.00 H new ATOM 0 HE2 HIS B 27 -3.064 -10.707 8.780 1.00 0.00 H new ATOM 1581 N ASP B 28 -5.633 -9.682 2.868 1.00 0.00 N ATOM 1582 CA ASP B 28 -5.574 -10.816 1.949 1.00 0.00 C ATOM 1583 C ASP B 28 -4.341 -10.713 1.067 1.00 0.00 C ATOM 1584 O ASP B 28 -3.611 -11.683 0.884 1.00 0.00 O ATOM 1585 CB ASP B 28 -6.832 -10.864 1.076 1.00 0.00 C ATOM 1586 CG ASP B 28 -6.695 -11.801 -0.109 1.00 0.00 C ATOM 1587 OD1 ASP B 28 -7.010 -12.999 0.036 1.00 0.00 O ATOM 1588 OD2 ASP B 28 -6.283 -11.338 -1.194 1.00 0.00 O ATOM 0 H ASP B 28 -6.474 -9.112 2.778 1.00 0.00 H new ATOM 0 HA ASP B 28 -5.518 -11.732 2.537 1.00 0.00 H new ATOM 0 HB2 ASP B 28 -7.679 -11.179 1.686 1.00 0.00 H new ATOM 0 HB3 ASP B 28 -7.055 -9.860 0.715 1.00 0.00 H new ATOM 1593 N LEU B 29 -4.111 -9.515 0.554 1.00 0.00 N ATOM 1594 CA LEU B 29 -2.990 -9.252 -0.334 1.00 0.00 C ATOM 1595 C LEU B 29 -1.660 -9.457 0.392 1.00 0.00 C ATOM 1596 O LEU B 29 -0.689 -9.942 -0.190 1.00 0.00 O ATOM 1597 CB LEU B 29 -3.089 -7.821 -0.862 1.00 0.00 C ATOM 1598 CG LEU B 29 -2.193 -7.503 -2.052 1.00 0.00 C ATOM 1599 CD1 LEU B 29 -2.566 -8.368 -3.244 1.00 0.00 C ATOM 1600 CD2 LEU B 29 -2.295 -6.032 -2.410 1.00 0.00 C ATOM 0 H LEU B 29 -4.694 -8.699 0.741 1.00 0.00 H new ATOM 0 HA LEU B 29 -3.028 -9.952 -1.168 1.00 0.00 H new ATOM 0 HB2 LEU B 29 -4.124 -7.626 -1.145 1.00 0.00 H new ATOM 0 HB3 LEU B 29 -2.846 -7.134 -0.051 1.00 0.00 H new ATOM 0 HG LEU B 29 -1.161 -7.722 -1.778 1.00 0.00 H new ATOM 0 HD11 LEU B 29 -1.916 -8.128 -4.085 1.00 0.00 H new ATOM 0 HD12 LEU B 29 -2.447 -9.419 -2.982 1.00 0.00 H new ATOM 0 HD13 LEU B 29 -3.603 -8.178 -3.521 1.00 0.00 H new ATOM 0 HD21 LEU B 29 -1.649 -5.819 -3.262 1.00 0.00 H new ATOM 0 HD22 LEU B 29 -3.326 -5.791 -2.667 1.00 0.00 H new ATOM 0 HD23 LEU B 29 -1.983 -5.428 -1.558 1.00 0.00 H new ATOM 1612 N ALA B 30 -1.631 -9.093 1.668 1.00 0.00 N ATOM 1613 CA ALA B 30 -0.439 -9.264 2.488 1.00 0.00 C ATOM 1614 C ALA B 30 -0.132 -10.745 2.694 1.00 0.00 C ATOM 1615 O ALA B 30 1.031 -11.156 2.691 1.00 0.00 O ATOM 1616 CB ALA B 30 -0.612 -8.562 3.828 1.00 0.00 C ATOM 0 H ALA B 30 -2.422 -8.676 2.158 1.00 0.00 H new ATOM 0 HA ALA B 30 0.404 -8.812 1.966 1.00 0.00 H new ATOM 0 HB1 ALA B 30 0.287 -8.699 4.429 1.00 0.00 H new ATOM 0 HB2 ALA B 30 -0.779 -7.498 3.662 1.00 0.00 H new ATOM 0 HB3 ALA B 30 -1.468 -8.986 4.353 1.00 0.00 H new ATOM 1622 N GLU B 31 -1.178 -11.543 2.871 1.00 0.00 N ATOM 1623 CA GLU B 31 -1.031 -12.982 3.013 1.00 0.00 C ATOM 1624 C GLU B 31 -0.693 -13.614 1.665 1.00 0.00 C ATOM 1625 O GLU B 31 -0.064 -14.671 1.595 1.00 0.00 O ATOM 1626 CB GLU B 31 -2.329 -13.585 3.553 1.00 0.00 C ATOM 1627 CG GLU B 31 -2.797 -12.979 4.867 1.00 0.00 C ATOM 1628 CD GLU B 31 -1.850 -13.265 6.011 1.00 0.00 C ATOM 1629 OE1 GLU B 31 -1.908 -14.381 6.559 1.00 0.00 O ATOM 1630 OE2 GLU B 31 -1.054 -12.376 6.374 1.00 0.00 O ATOM 0 H GLU B 31 -2.142 -11.213 2.919 1.00 0.00 H new ATOM 0 HA GLU B 31 -0.220 -13.185 3.712 1.00 0.00 H new ATOM 0 HB2 GLU B 31 -3.114 -13.458 2.807 1.00 0.00 H new ATOM 0 HB3 GLU B 31 -2.189 -14.657 3.689 1.00 0.00 H new ATOM 0 HG2 GLU B 31 -2.902 -11.901 4.748 1.00 0.00 H new ATOM 0 HG3 GLU B 31 -3.785 -13.370 5.112 1.00 0.00 H new ATOM 1637 N ASP B 32 -1.087 -12.932 0.599 1.00 0.00 N ATOM 1638 CA ASP B 32 -0.959 -13.451 -0.758 1.00 0.00 C ATOM 1639 C ASP B 32 0.275 -12.875 -1.455 1.00 0.00 C ATOM 1640 O ASP B 32 0.303 -12.736 -2.681 1.00 0.00 O ATOM 1641 CB ASP B 32 -2.227 -13.144 -1.557 1.00 0.00 C ATOM 1642 CG ASP B 32 -2.441 -14.115 -2.701 1.00 0.00 C ATOM 1643 OD1 ASP B 32 -1.992 -15.277 -2.590 1.00 0.00 O ATOM 1644 OD2 ASP B 32 -3.098 -13.737 -3.697 1.00 0.00 O ATOM 0 H ASP B 32 -1.505 -12.003 0.649 1.00 0.00 H new ATOM 0 HA ASP B 32 -0.832 -14.532 -0.703 1.00 0.00 H new ATOM 0 HB2 ASP B 32 -3.089 -13.177 -0.891 1.00 0.00 H new ATOM 0 HB3 ASP B 32 -2.167 -12.130 -1.952 1.00 0.00 H new ATOM 1649 N LEU B 33 1.274 -12.503 -0.650 1.00 0.00 N ATOM 1650 CA LEU B 33 2.592 -12.073 -1.144 1.00 0.00 C ATOM 1651 C LEU B 33 3.091 -12.959 -2.295 1.00 0.00 C ATOM 1652 O LEU B 33 2.629 -14.088 -2.439 1.00 0.00 O ATOM 1653 CB LEU B 33 3.596 -12.045 0.013 1.00 0.00 C ATOM 1654 CG LEU B 33 3.698 -10.702 0.734 1.00 0.00 C ATOM 1655 CD1 LEU B 33 4.727 -10.774 1.851 1.00 0.00 C ATOM 1656 CD2 LEU B 33 4.053 -9.601 -0.259 1.00 0.00 C ATOM 0 H LEU B 33 1.195 -12.490 0.367 1.00 0.00 H new ATOM 0 HA LEU B 33 2.492 -11.066 -1.548 1.00 0.00 H new ATOM 0 HB2 LEU B 33 3.318 -12.811 0.737 1.00 0.00 H new ATOM 0 HB3 LEU B 33 4.581 -12.312 -0.371 1.00 0.00 H new ATOM 0 HG LEU B 33 2.731 -10.468 1.180 1.00 0.00 H new ATOM 0 HD11 LEU B 33 4.786 -9.809 2.354 1.00 0.00 H new ATOM 0 HD12 LEU B 33 4.432 -11.539 2.569 1.00 0.00 H new ATOM 0 HD13 LEU B 33 5.701 -11.026 1.432 1.00 0.00 H new ATOM 0 HD21 LEU B 33 4.123 -8.648 0.265 1.00 0.00 H new ATOM 0 HD22 LEU B 33 5.010 -9.829 -0.728 1.00 0.00 H new ATOM 0 HD23 LEU B 33 3.280 -9.538 -1.025 1.00 0.00 H new ATOM 1668 N PRO B 34 4.168 -12.521 -3.005 1.00 0.00 N ATOM 1669 CA PRO B 34 4.424 -12.745 -4.414 1.00 0.00 C ATOM 1670 C PRO B 34 3.291 -13.370 -5.234 1.00 0.00 C ATOM 1671 O PRO B 34 2.708 -14.385 -4.874 1.00 0.00 O ATOM 1672 CB PRO B 34 5.681 -13.587 -4.300 1.00 0.00 C ATOM 1673 CG PRO B 34 6.430 -12.900 -3.178 1.00 0.00 C ATOM 1674 CD PRO B 34 5.416 -12.002 -2.464 1.00 0.00 C ATOM 0 HA PRO B 34 4.524 -11.828 -4.995 1.00 0.00 H new ATOM 0 HB2 PRO B 34 5.454 -14.626 -4.061 1.00 0.00 H new ATOM 0 HB3 PRO B 34 6.253 -13.591 -5.228 1.00 0.00 H new ATOM 0 HG2 PRO B 34 6.853 -13.631 -2.489 1.00 0.00 H new ATOM 0 HG3 PRO B 34 7.261 -12.313 -3.569 1.00 0.00 H new ATOM 0 HD2 PRO B 34 5.469 -12.099 -1.380 1.00 0.00 H new ATOM 0 HD3 PRO B 34 5.561 -10.947 -2.697 1.00 0.00 H new ATOM 1682 N THR B 35 3.079 -12.754 -6.401 1.00 0.00 N ATOM 1683 CA THR B 35 1.889 -12.929 -7.244 1.00 0.00 C ATOM 1684 C THR B 35 0.893 -11.806 -6.973 1.00 0.00 C ATOM 1685 O THR B 35 0.382 -11.180 -7.900 1.00 0.00 O ATOM 1686 CB THR B 35 1.206 -14.307 -7.079 1.00 0.00 C ATOM 1687 OG1 THR B 35 2.102 -15.339 -7.511 1.00 0.00 O ATOM 1688 CG2 THR B 35 -0.090 -14.388 -7.874 1.00 0.00 C ATOM 0 H THR B 35 3.752 -12.099 -6.799 1.00 0.00 H new ATOM 0 HA THR B 35 2.232 -12.886 -8.278 1.00 0.00 H new ATOM 0 HB THR B 35 0.962 -14.440 -6.025 1.00 0.00 H new ATOM 0 HG1 THR B 35 2.759 -15.518 -6.806 1.00 0.00 H new ATOM 0 HG21 THR B 35 -0.542 -15.370 -7.734 1.00 0.00 H new ATOM 0 HG22 THR B 35 -0.779 -13.619 -7.526 1.00 0.00 H new ATOM 0 HG23 THR B 35 0.122 -14.234 -8.932 1.00 0.00 H new ATOM 1696 N GLY B 36 0.666 -11.515 -5.703 1.00 0.00 N ATOM 1697 CA GLY B 36 -0.196 -10.407 -5.343 1.00 0.00 C ATOM 1698 C GLY B 36 0.563 -9.096 -5.236 1.00 0.00 C ATOM 1699 O GLY B 36 -0.036 -8.038 -5.062 1.00 0.00 O ATOM 0 H GLY B 36 1.062 -12.025 -4.914 1.00 0.00 H new ATOM 0 HA2 GLY B 36 -0.986 -10.307 -6.088 1.00 0.00 H new ATOM 0 HA3 GLY B 36 -0.681 -10.622 -4.391 1.00 0.00 H new ATOM 1703 N TRP B 37 1.885 -9.159 -5.370 1.00 0.00 N ATOM 1704 CA TRP B 37 2.733 -7.984 -5.173 1.00 0.00 C ATOM 1705 C TRP B 37 2.462 -6.910 -6.229 1.00 0.00 C ATOM 1706 O TRP B 37 2.683 -5.724 -5.992 1.00 0.00 O ATOM 1707 CB TRP B 37 4.216 -8.376 -5.183 1.00 0.00 C ATOM 1708 CG TRP B 37 4.735 -8.793 -6.531 1.00 0.00 C ATOM 1709 CD1 TRP B 37 4.610 -10.019 -7.121 1.00 0.00 C ATOM 1710 CD2 TRP B 37 5.479 -7.981 -7.450 1.00 0.00 C ATOM 1711 NE1 TRP B 37 5.221 -10.016 -8.351 1.00 0.00 N ATOM 1712 CE2 TRP B 37 5.765 -8.777 -8.575 1.00 0.00 C ATOM 1713 CE3 TRP B 37 5.929 -6.656 -7.431 1.00 0.00 C ATOM 1714 CZ2 TRP B 37 6.482 -8.294 -9.667 1.00 0.00 C ATOM 1715 CZ3 TRP B 37 6.638 -6.178 -8.515 1.00 0.00 C ATOM 1716 CH2 TRP B 37 6.910 -6.995 -9.619 1.00 0.00 C ATOM 0 H TRP B 37 2.393 -10.009 -5.614 1.00 0.00 H new ATOM 0 HA TRP B 37 2.487 -7.565 -4.197 1.00 0.00 H new ATOM 0 HB2 TRP B 37 4.806 -7.532 -4.824 1.00 0.00 H new ATOM 0 HB3 TRP B 37 4.369 -9.194 -4.479 1.00 0.00 H new ATOM 0 HD1 TRP B 37 4.104 -10.867 -6.684 1.00 0.00 H new ATOM 0 HE1 TRP B 37 5.263 -10.807 -8.994 1.00 0.00 H new ATOM 0 HE3 TRP B 37 5.725 -6.019 -6.583 1.00 0.00 H new ATOM 0 HZ2 TRP B 37 6.693 -8.922 -10.520 1.00 0.00 H new ATOM 0 HZ3 TRP B 37 6.989 -5.157 -8.511 1.00 0.00 H new ATOM 0 HH2 TRP B 37 7.469 -6.592 -10.450 1.00 0.00 H new ATOM 1727 N ASN B 38 1.963 -7.330 -7.383 1.00 0.00 N ATOM 1728 CA ASN B 38 1.670 -6.406 -8.475 1.00 0.00 C ATOM 1729 C ASN B 38 0.449 -5.544 -8.135 1.00 0.00 C ATOM 1730 O ASN B 38 0.243 -4.470 -8.703 1.00 0.00 O ATOM 1731 CB ASN B 38 1.421 -7.198 -9.764 1.00 0.00 C ATOM 1732 CG ASN B 38 1.167 -6.308 -10.969 1.00 0.00 C ATOM 1733 OD1 ASN B 38 0.028 -5.925 -11.244 1.00 0.00 O ATOM 1734 ND2 ASN B 38 2.216 -5.996 -11.713 1.00 0.00 N ATOM 0 H ASN B 38 1.751 -8.306 -7.590 1.00 0.00 H new ATOM 0 HA ASN B 38 2.524 -5.745 -8.620 1.00 0.00 H new ATOM 0 HB2 ASN B 38 2.283 -7.835 -9.965 1.00 0.00 H new ATOM 0 HB3 ASN B 38 0.565 -7.857 -9.619 1.00 0.00 H new ATOM 0 HD21 ASN B 38 2.097 -5.420 -12.546 1.00 0.00 H new ATOM 0 HD22 ASN B 38 3.143 -6.332 -11.453 1.00 0.00 H new ATOM 1741 N ARG B 39 -0.330 -6.015 -7.174 1.00 0.00 N ATOM 1742 CA ARG B 39 -1.592 -5.386 -6.804 1.00 0.00 C ATOM 1743 C ARG B 39 -1.410 -4.492 -5.575 1.00 0.00 C ATOM 1744 O ARG B 39 -2.329 -3.771 -5.179 1.00 0.00 O ATOM 1745 CB ARG B 39 -2.610 -6.492 -6.502 1.00 0.00 C ATOM 1746 CG ARG B 39 -4.062 -6.058 -6.564 1.00 0.00 C ATOM 1747 CD ARG B 39 -4.462 -5.692 -7.980 1.00 0.00 C ATOM 1748 NE ARG B 39 -5.908 -5.545 -8.118 1.00 0.00 N ATOM 1749 CZ ARG B 39 -6.492 -4.489 -8.670 1.00 0.00 C ATOM 1750 NH1 ARG B 39 -5.760 -3.476 -9.115 1.00 0.00 N ATOM 1751 NH2 ARG B 39 -7.812 -4.451 -8.789 1.00 0.00 N ATOM 0 H ARG B 39 -0.106 -6.846 -6.626 1.00 0.00 H new ATOM 0 HA ARG B 39 -1.945 -4.761 -7.624 1.00 0.00 H new ATOM 0 HB2 ARG B 39 -2.459 -7.307 -7.209 1.00 0.00 H new ATOM 0 HB3 ARG B 39 -2.407 -6.891 -5.508 1.00 0.00 H new ATOM 0 HG2 ARG B 39 -4.701 -6.862 -6.198 1.00 0.00 H new ATOM 0 HG3 ARG B 39 -4.218 -5.203 -5.906 1.00 0.00 H new ATOM 0 HD2 ARG B 39 -3.974 -4.760 -8.265 1.00 0.00 H new ATOM 0 HD3 ARG B 39 -4.108 -6.461 -8.667 1.00 0.00 H new ATOM 0 HE ARG B 39 -6.503 -6.297 -7.770 1.00 0.00 H new ATOM 0 HH11 ARG B 39 -4.744 -3.507 -9.034 1.00 0.00 H new ATOM 0 HH12 ARG B 39 -6.213 -2.666 -9.539 1.00 0.00 H new ATOM 0 HH21 ARG B 39 -8.377 -5.233 -8.456 1.00 0.00 H new ATOM 0 HH22 ARG B 39 -8.263 -3.640 -9.213 1.00 0.00 H new ATOM 1765 N ILE B 40 -0.211 -4.530 -4.995 1.00 0.00 N ATOM 1766 CA ILE B 40 0.067 -3.860 -3.723 1.00 0.00 C ATOM 1767 C ILE B 40 -0.191 -2.357 -3.776 1.00 0.00 C ATOM 1768 O ILE B 40 -0.920 -1.825 -2.941 1.00 0.00 O ATOM 1769 CB ILE B 40 1.520 -4.115 -3.253 1.00 0.00 C ATOM 1770 CG1 ILE B 40 1.696 -5.582 -2.846 1.00 0.00 C ATOM 1771 CG2 ILE B 40 1.885 -3.189 -2.098 1.00 0.00 C ATOM 1772 CD1 ILE B 40 3.083 -5.911 -2.333 1.00 0.00 C ATOM 0 H ILE B 40 0.591 -5.022 -5.389 1.00 0.00 H new ATOM 0 HA ILE B 40 -0.628 -4.295 -3.004 1.00 0.00 H new ATOM 0 HB ILE B 40 2.194 -3.901 -4.083 1.00 0.00 H new ATOM 0 HG12 ILE B 40 0.966 -5.826 -2.074 1.00 0.00 H new ATOM 0 HG13 ILE B 40 1.476 -6.217 -3.704 1.00 0.00 H new ATOM 0 HG21 ILE B 40 2.910 -3.386 -1.784 1.00 0.00 H new ATOM 0 HG22 ILE B 40 1.797 -2.152 -2.422 1.00 0.00 H new ATOM 0 HG23 ILE B 40 1.209 -3.367 -1.262 1.00 0.00 H new ATOM 0 HD11 ILE B 40 3.131 -6.966 -2.065 1.00 0.00 H new ATOM 0 HD12 ILE B 40 3.818 -5.700 -3.110 1.00 0.00 H new ATOM 0 HD13 ILE B 40 3.300 -5.303 -1.454 1.00 0.00 H new ATOM 1784 N MET B 41 0.382 -1.681 -4.764 1.00 0.00 N ATOM 1785 CA MET B 41 0.338 -0.222 -4.807 1.00 0.00 C ATOM 1786 C MET B 41 -1.092 0.299 -4.891 1.00 0.00 C ATOM 1787 O MET B 41 -1.455 1.228 -4.174 1.00 0.00 O ATOM 1788 CB MET B 41 1.169 0.319 -5.974 1.00 0.00 C ATOM 1789 CG MET B 41 1.077 1.829 -6.136 1.00 0.00 C ATOM 1790 SD MET B 41 2.287 2.487 -7.307 1.00 0.00 S ATOM 1791 CE MET B 41 3.810 2.299 -6.380 1.00 0.00 C ATOM 0 H MET B 41 0.880 -2.114 -5.542 1.00 0.00 H new ATOM 0 HA MET B 41 0.771 0.138 -3.874 1.00 0.00 H new ATOM 0 HB2 MET B 41 2.212 0.040 -5.827 1.00 0.00 H new ATOM 0 HB3 MET B 41 0.839 -0.158 -6.897 1.00 0.00 H new ATOM 0 HG2 MET B 41 0.074 2.093 -6.471 1.00 0.00 H new ATOM 0 HG3 MET B 41 1.223 2.303 -5.165 1.00 0.00 H new ATOM 0 HE1 MET B 41 4.181 3.281 -6.087 1.00 0.00 H new ATOM 0 HE2 MET B 41 3.622 1.701 -5.488 1.00 0.00 H new ATOM 0 HE3 MET B 41 4.555 1.801 -7.001 1.00 0.00 H new ATOM 1801 N GLU B 42 -1.905 -0.311 -5.746 1.00 0.00 N ATOM 1802 CA GLU B 42 -3.273 0.155 -5.949 1.00 0.00 C ATOM 1803 C GLU B 42 -4.119 -0.069 -4.701 1.00 0.00 C ATOM 1804 O GLU B 42 -4.821 0.838 -4.240 1.00 0.00 O ATOM 1805 CB GLU B 42 -3.920 -0.557 -7.133 1.00 0.00 C ATOM 1806 CG GLU B 42 -5.099 0.213 -7.707 1.00 0.00 C ATOM 1807 CD GLU B 42 -5.660 -0.416 -8.963 1.00 0.00 C ATOM 1808 OE1 GLU B 42 -4.904 -0.566 -9.943 1.00 0.00 O ATOM 1809 OE2 GLU B 42 -6.860 -0.766 -8.979 1.00 0.00 O ATOM 0 H GLU B 42 -1.644 -1.123 -6.306 1.00 0.00 H new ATOM 0 HA GLU B 42 -3.225 1.224 -6.157 1.00 0.00 H new ATOM 0 HB2 GLU B 42 -3.174 -0.707 -7.914 1.00 0.00 H new ATOM 0 HB3 GLU B 42 -4.255 -1.545 -6.819 1.00 0.00 H new ATOM 0 HG2 GLU B 42 -5.886 0.275 -6.955 1.00 0.00 H new ATOM 0 HG3 GLU B 42 -4.787 1.234 -7.927 1.00 0.00 H new ATOM 1816 N VAL B 43 -4.052 -1.280 -4.163 1.00 0.00 N ATOM 1817 CA VAL B 43 -4.827 -1.635 -2.977 1.00 0.00 C ATOM 1818 C VAL B 43 -4.404 -0.807 -1.770 1.00 0.00 C ATOM 1819 O VAL B 43 -5.252 -0.251 -1.069 1.00 0.00 O ATOM 1820 CB VAL B 43 -4.720 -3.140 -2.646 1.00 0.00 C ATOM 1821 CG1 VAL B 43 -5.503 -3.472 -1.388 1.00 0.00 C ATOM 1822 CG2 VAL B 43 -5.232 -3.972 -3.807 1.00 0.00 C ATOM 0 H VAL B 43 -3.470 -2.034 -4.528 1.00 0.00 H new ATOM 0 HA VAL B 43 -5.869 -1.412 -3.208 1.00 0.00 H new ATOM 0 HB VAL B 43 -3.670 -3.376 -2.474 1.00 0.00 H new ATOM 0 HG11 VAL B 43 -5.413 -4.537 -1.174 1.00 0.00 H new ATOM 0 HG12 VAL B 43 -5.106 -2.899 -0.550 1.00 0.00 H new ATOM 0 HG13 VAL B 43 -6.553 -3.219 -1.535 1.00 0.00 H new ATOM 0 HG21 VAL B 43 -5.151 -5.030 -3.560 1.00 0.00 H new ATOM 0 HG22 VAL B 43 -6.276 -3.724 -4.000 1.00 0.00 H new ATOM 0 HG23 VAL B 43 -4.638 -3.760 -4.696 1.00 0.00 H new ATOM 1832 N ALA B 44 -3.099 -0.702 -1.542 1.00 0.00 N ATOM 1833 CA ALA B 44 -2.579 0.056 -0.410 1.00 0.00 C ATOM 1834 C ALA B 44 -2.964 1.526 -0.518 1.00 0.00 C ATOM 1835 O ALA B 44 -3.290 2.168 0.483 1.00 0.00 O ATOM 1836 CB ALA B 44 -1.071 -0.097 -0.324 1.00 0.00 C ATOM 0 H ALA B 44 -2.382 -1.132 -2.126 1.00 0.00 H new ATOM 0 HA ALA B 44 -3.022 -0.342 0.503 1.00 0.00 H new ATOM 0 HB1 ALA B 44 -0.695 0.474 0.525 1.00 0.00 H new ATOM 0 HB2 ALA B 44 -0.819 -1.149 -0.194 1.00 0.00 H new ATOM 0 HB3 ALA B 44 -0.615 0.275 -1.241 1.00 0.00 H new ATOM 1842 N GLU B 45 -2.934 2.050 -1.739 1.00 0.00 N ATOM 1843 CA GLU B 45 -3.349 3.421 -1.999 1.00 0.00 C ATOM 1844 C GLU B 45 -4.792 3.639 -1.561 1.00 0.00 C ATOM 1845 O GLU B 45 -5.076 4.516 -0.743 1.00 0.00 O ATOM 1846 CB GLU B 45 -3.203 3.733 -3.486 1.00 0.00 C ATOM 1847 CG GLU B 45 -3.706 5.110 -3.874 1.00 0.00 C ATOM 1848 CD GLU B 45 -3.698 5.322 -5.368 1.00 0.00 C ATOM 1849 OE1 GLU B 45 -4.462 4.636 -6.072 1.00 0.00 O ATOM 1850 OE2 GLU B 45 -2.939 6.186 -5.850 1.00 0.00 O ATOM 0 H GLU B 45 -2.625 1.541 -2.567 1.00 0.00 H new ATOM 0 HA GLU B 45 -2.710 4.092 -1.425 1.00 0.00 H new ATOM 0 HB2 GLU B 45 -2.152 3.648 -3.764 1.00 0.00 H new ATOM 0 HB3 GLU B 45 -3.746 2.983 -4.060 1.00 0.00 H new ATOM 0 HG2 GLU B 45 -4.719 5.244 -3.496 1.00 0.00 H new ATOM 0 HG3 GLU B 45 -3.085 5.869 -3.398 1.00 0.00 H new ATOM 1857 N LYS B 46 -5.692 2.817 -2.093 1.00 0.00 N ATOM 1858 CA LYS B 46 -7.114 2.930 -1.787 1.00 0.00 C ATOM 1859 C LYS B 46 -7.385 2.687 -0.306 1.00 0.00 C ATOM 1860 O LYS B 46 -8.244 3.340 0.286 1.00 0.00 O ATOM 1861 CB LYS B 46 -7.933 1.958 -2.647 1.00 0.00 C ATOM 1862 CG LYS B 46 -8.468 2.573 -3.935 1.00 0.00 C ATOM 1863 CD LYS B 46 -7.356 3.009 -4.880 1.00 0.00 C ATOM 1864 CE LYS B 46 -7.912 3.804 -6.052 1.00 0.00 C ATOM 1865 NZ LYS B 46 -6.852 4.234 -6.998 1.00 0.00 N ATOM 0 H LYS B 46 -5.460 2.063 -2.740 1.00 0.00 H new ATOM 0 HA LYS B 46 -7.422 3.949 -2.022 1.00 0.00 H new ATOM 0 HB2 LYS B 46 -7.312 1.098 -2.897 1.00 0.00 H new ATOM 0 HB3 LYS B 46 -8.771 1.585 -2.058 1.00 0.00 H new ATOM 0 HG2 LYS B 46 -9.107 1.849 -4.441 1.00 0.00 H new ATOM 0 HG3 LYS B 46 -9.091 3.433 -3.691 1.00 0.00 H new ATOM 0 HD2 LYS B 46 -6.630 3.615 -4.337 1.00 0.00 H new ATOM 0 HD3 LYS B 46 -6.825 2.132 -5.251 1.00 0.00 H new ATOM 0 HE2 LYS B 46 -8.645 3.198 -6.584 1.00 0.00 H new ATOM 0 HE3 LYS B 46 -8.437 4.682 -5.676 1.00 0.00 H new ATOM 0 HZ1 LYS B 46 -6.950 5.252 -7.189 1.00 0.00 H new ATOM 0 HZ2 LYS B 46 -5.918 4.048 -6.580 1.00 0.00 H new ATOM 0 HZ3 LYS B 46 -6.945 3.704 -7.888 1.00 0.00 H new ATOM 1879 N THR B 47 -6.648 1.758 0.289 1.00 0.00 N ATOM 1880 CA THR B 47 -6.793 1.470 1.709 1.00 0.00 C ATOM 1881 C THR B 47 -6.390 2.686 2.541 1.00 0.00 C ATOM 1882 O THR B 47 -7.121 3.104 3.444 1.00 0.00 O ATOM 1883 CB THR B 47 -5.943 0.252 2.133 1.00 0.00 C ATOM 1884 OG1 THR B 47 -6.249 -0.875 1.302 1.00 0.00 O ATOM 1885 CG2 THR B 47 -6.197 -0.111 3.591 1.00 0.00 C ATOM 0 H THR B 47 -5.946 1.193 -0.188 1.00 0.00 H new ATOM 0 HA THR B 47 -7.842 1.234 1.888 1.00 0.00 H new ATOM 0 HB THR B 47 -4.892 0.518 2.017 1.00 0.00 H new ATOM 0 HG1 THR B 47 -5.739 -0.814 0.468 1.00 0.00 H new ATOM 0 HG21 THR B 47 -5.586 -0.972 3.863 1.00 0.00 H new ATOM 0 HG22 THR B 47 -5.937 0.735 4.227 1.00 0.00 H new ATOM 0 HG23 THR B 47 -7.250 -0.356 3.727 1.00 0.00 H new ATOM 1893 N TYR B 48 -5.235 3.263 2.218 1.00 0.00 N ATOM 1894 CA TYR B 48 -4.762 4.453 2.909 1.00 0.00 C ATOM 1895 C TYR B 48 -5.760 5.593 2.732 1.00 0.00 C ATOM 1896 O TYR B 48 -6.128 6.260 3.699 1.00 0.00 O ATOM 1897 CB TYR B 48 -3.381 4.874 2.392 1.00 0.00 C ATOM 1898 CG TYR B 48 -2.820 6.090 3.098 1.00 0.00 C ATOM 1899 CD1 TYR B 48 -2.134 5.963 4.296 1.00 0.00 C ATOM 1900 CD2 TYR B 48 -2.990 7.363 2.570 1.00 0.00 C ATOM 1901 CE1 TYR B 48 -1.641 7.074 4.956 1.00 0.00 C ATOM 1902 CE2 TYR B 48 -2.496 8.475 3.219 1.00 0.00 C ATOM 1903 CZ TYR B 48 -1.823 8.325 4.411 1.00 0.00 C ATOM 1904 OH TYR B 48 -1.343 9.435 5.064 1.00 0.00 O ATOM 0 H TYR B 48 -4.613 2.925 1.484 1.00 0.00 H new ATOM 0 HA TYR B 48 -4.672 4.220 3.970 1.00 0.00 H new ATOM 0 HB2 TYR B 48 -2.687 4.042 2.511 1.00 0.00 H new ATOM 0 HB3 TYR B 48 -3.449 5.082 1.324 1.00 0.00 H new ATOM 0 HD1 TYR B 48 -1.982 4.982 4.720 1.00 0.00 H new ATOM 0 HD2 TYR B 48 -3.518 7.484 1.636 1.00 0.00 H new ATOM 0 HE1 TYR B 48 -1.116 6.961 5.893 1.00 0.00 H new ATOM 0 HE2 TYR B 48 -2.636 9.458 2.795 1.00 0.00 H new ATOM 0 HH TYR B 48 -0.545 9.192 5.579 1.00 0.00 H new ATOM 1914 N GLU B 49 -6.202 5.792 1.495 1.00 0.00 N ATOM 1915 CA GLU B 49 -7.169 6.833 1.167 1.00 0.00 C ATOM 1916 C GLU B 49 -8.466 6.678 1.959 1.00 0.00 C ATOM 1917 O GLU B 49 -8.954 7.639 2.547 1.00 0.00 O ATOM 1918 CB GLU B 49 -7.469 6.811 -0.331 1.00 0.00 C ATOM 1919 CG GLU B 49 -6.647 7.804 -1.131 1.00 0.00 C ATOM 1920 CD GLU B 49 -7.146 9.224 -0.966 1.00 0.00 C ATOM 1921 OE1 GLU B 49 -6.728 9.903 -0.008 1.00 0.00 O ATOM 1922 OE2 GLU B 49 -7.963 9.668 -1.804 1.00 0.00 O ATOM 0 H GLU B 49 -5.901 5.238 0.693 1.00 0.00 H new ATOM 0 HA GLU B 49 -6.728 7.791 1.441 1.00 0.00 H new ATOM 0 HB2 GLU B 49 -7.285 5.808 -0.715 1.00 0.00 H new ATOM 0 HB3 GLU B 49 -8.527 7.022 -0.484 1.00 0.00 H new ATOM 0 HG2 GLU B 49 -5.605 7.748 -0.816 1.00 0.00 H new ATOM 0 HG3 GLU B 49 -6.676 7.531 -2.186 1.00 0.00 H new ATOM 1929 N ALA B 50 -9.016 5.469 1.972 1.00 0.00 N ATOM 1930 CA ALA B 50 -10.278 5.207 2.659 1.00 0.00 C ATOM 1931 C ALA B 50 -10.164 5.486 4.153 1.00 0.00 C ATOM 1932 O ALA B 50 -11.028 6.139 4.733 1.00 0.00 O ATOM 1933 CB ALA B 50 -10.728 3.772 2.417 1.00 0.00 C ATOM 0 H ALA B 50 -8.608 4.653 1.515 1.00 0.00 H new ATOM 0 HA ALA B 50 -11.029 5.883 2.250 1.00 0.00 H new ATOM 0 HB1 ALA B 50 -11.670 3.594 2.936 1.00 0.00 H new ATOM 0 HB2 ALA B 50 -10.866 3.609 1.348 1.00 0.00 H new ATOM 0 HB3 ALA B 50 -9.970 3.085 2.794 1.00 0.00 H new ATOM 1939 N TYR B 51 -9.090 5.006 4.768 1.00 0.00 N ATOM 1940 CA TYR B 51 -8.891 5.212 6.193 1.00 0.00 C ATOM 1941 C TYR B 51 -8.537 6.661 6.503 1.00 0.00 C ATOM 1942 O TYR B 51 -8.902 7.178 7.559 1.00 0.00 O ATOM 1943 CB TYR B 51 -7.828 4.263 6.738 1.00 0.00 C ATOM 1944 CG TYR B 51 -8.361 2.875 7.019 1.00 0.00 C ATOM 1945 CD1 TYR B 51 -9.187 2.646 8.112 1.00 0.00 C ATOM 1946 CD2 TYR B 51 -8.050 1.802 6.196 1.00 0.00 C ATOM 1947 CE1 TYR B 51 -9.688 1.385 8.377 1.00 0.00 C ATOM 1948 CE2 TYR B 51 -8.550 0.539 6.452 1.00 0.00 C ATOM 1949 CZ TYR B 51 -9.366 0.335 7.546 1.00 0.00 C ATOM 1950 OH TYR B 51 -9.870 -0.918 7.806 1.00 0.00 O ATOM 0 H TYR B 51 -8.351 4.476 4.306 1.00 0.00 H new ATOM 0 HA TYR B 51 -9.834 4.989 6.692 1.00 0.00 H new ATOM 0 HB2 TYR B 51 -7.010 4.193 6.022 1.00 0.00 H new ATOM 0 HB3 TYR B 51 -7.414 4.680 7.656 1.00 0.00 H new ATOM 0 HD1 TYR B 51 -9.442 3.467 8.766 1.00 0.00 H new ATOM 0 HD2 TYR B 51 -7.407 1.956 5.342 1.00 0.00 H new ATOM 0 HE1 TYR B 51 -10.329 1.224 9.231 1.00 0.00 H new ATOM 0 HE2 TYR B 51 -8.303 -0.285 5.799 1.00 0.00 H new ATOM 0 HH TYR B 51 -10.793 -0.973 7.482 1.00 0.00 H new ATOM 1960 N ARG B 52 -7.841 7.325 5.585 1.00 0.00 N ATOM 1961 CA ARG B 52 -7.561 8.746 5.745 1.00 0.00 C ATOM 1962 C ARG B 52 -8.853 9.540 5.647 1.00 0.00 C ATOM 1963 O ARG B 52 -9.121 10.398 6.472 1.00 0.00 O ATOM 1964 CB ARG B 52 -6.550 9.241 4.705 1.00 0.00 C ATOM 1965 CG ARG B 52 -6.437 10.758 4.656 1.00 0.00 C ATOM 1966 CD ARG B 52 -5.262 11.225 3.813 1.00 0.00 C ATOM 1967 NE ARG B 52 -3.993 11.148 4.539 1.00 0.00 N ATOM 1968 CZ ARG B 52 -3.288 12.219 4.913 1.00 0.00 C ATOM 1969 NH1 ARG B 52 -3.735 13.439 4.635 1.00 0.00 N ATOM 1970 NH2 ARG B 52 -2.133 12.068 5.554 1.00 0.00 N ATOM 0 H ARG B 52 -7.465 6.908 4.733 1.00 0.00 H new ATOM 0 HA ARG B 52 -7.119 8.896 6.730 1.00 0.00 H new ATOM 0 HB2 ARG B 52 -5.571 8.817 4.928 1.00 0.00 H new ATOM 0 HB3 ARG B 52 -6.840 8.872 3.721 1.00 0.00 H new ATOM 0 HG2 ARG B 52 -7.359 11.175 4.252 1.00 0.00 H new ATOM 0 HG3 ARG B 52 -6.330 11.144 5.670 1.00 0.00 H new ATOM 0 HD2 ARG B 52 -5.200 10.616 2.911 1.00 0.00 H new ATOM 0 HD3 ARG B 52 -5.433 12.253 3.493 1.00 0.00 H new ATOM 0 HE ARG B 52 -3.627 10.225 4.772 1.00 0.00 H new ATOM 0 HH11 ARG B 52 -4.617 13.558 4.136 1.00 0.00 H new ATOM 0 HH12 ARG B 52 -3.197 14.257 4.921 1.00 0.00 H new ATOM 0 HH21 ARG B 52 -1.783 11.133 5.761 1.00 0.00 H new ATOM 0 HH22 ARG B 52 -1.597 12.888 5.838 1.00 0.00 H new ATOM 1984 N GLN B 53 -9.659 9.225 4.646 1.00 0.00 N ATOM 1985 CA GLN B 53 -10.950 9.876 4.461 1.00 0.00 C ATOM 1986 C GLN B 53 -11.879 9.595 5.638 1.00 0.00 C ATOM 1987 O GLN B 53 -12.678 10.448 6.016 1.00 0.00 O ATOM 1988 CB GLN B 53 -11.588 9.417 3.151 1.00 0.00 C ATOM 1989 CG GLN B 53 -11.016 10.119 1.931 1.00 0.00 C ATOM 1990 CD GLN B 53 -11.553 9.564 0.632 1.00 0.00 C ATOM 1991 OE1 GLN B 53 -12.583 10.012 0.124 1.00 0.00 O ATOM 1992 NE2 GLN B 53 -10.850 8.593 0.075 1.00 0.00 N ATOM 0 H GLN B 53 -9.442 8.518 3.944 1.00 0.00 H new ATOM 0 HA GLN B 53 -10.787 10.953 4.414 1.00 0.00 H new ATOM 0 HB2 GLN B 53 -11.448 8.341 3.043 1.00 0.00 H new ATOM 0 HB3 GLN B 53 -12.662 9.596 3.195 1.00 0.00 H new ATOM 0 HG2 GLN B 53 -11.245 11.183 1.989 1.00 0.00 H new ATOM 0 HG3 GLN B 53 -9.930 10.026 1.940 1.00 0.00 H new ATOM 0 HE21 GLN B 53 -10.003 8.251 0.529 1.00 0.00 H new ATOM 0 HE22 GLN B 53 -11.155 8.185 -0.809 1.00 0.00 H new ATOM 2001 N LEU B 54 -11.764 8.406 6.217 1.00 0.00 N ATOM 2002 CA LEU B 54 -12.530 8.061 7.407 1.00 0.00 C ATOM 2003 C LEU B 54 -12.070 8.938 8.573 1.00 0.00 C ATOM 2004 O LEU B 54 -12.887 9.503 9.302 1.00 0.00 O ATOM 2005 CB LEU B 54 -12.352 6.569 7.736 1.00 0.00 C ATOM 2006 CG LEU B 54 -13.460 5.925 8.585 1.00 0.00 C ATOM 2007 CD1 LEU B 54 -13.318 4.413 8.575 1.00 0.00 C ATOM 2008 CD2 LEU B 54 -13.433 6.434 10.020 1.00 0.00 C ATOM 0 H LEU B 54 -11.148 7.665 5.882 1.00 0.00 H new ATOM 0 HA LEU B 54 -13.590 8.241 7.228 1.00 0.00 H new ATOM 0 HB2 LEU B 54 -12.275 6.018 6.799 1.00 0.00 H new ATOM 0 HB3 LEU B 54 -11.404 6.444 8.258 1.00 0.00 H new ATOM 0 HG LEU B 54 -14.417 6.204 8.144 1.00 0.00 H new ATOM 0 HD11 LEU B 54 -14.109 3.969 9.180 1.00 0.00 H new ATOM 0 HD12 LEU B 54 -13.396 4.047 7.551 1.00 0.00 H new ATOM 0 HD13 LEU B 54 -12.347 4.136 8.987 1.00 0.00 H new ATOM 0 HD21 LEU B 54 -14.230 5.957 10.590 1.00 0.00 H new ATOM 0 HD22 LEU B 54 -12.470 6.196 10.473 1.00 0.00 H new ATOM 0 HD23 LEU B 54 -13.579 7.514 10.026 1.00 0.00 H new ATOM 2020 N ASP B 55 -10.753 9.063 8.721 1.00 0.00 N ATOM 2021 CA ASP B 55 -10.168 9.914 9.755 1.00 0.00 C ATOM 2022 C ASP B 55 -10.545 11.372 9.519 1.00 0.00 C ATOM 2023 O ASP B 55 -10.900 12.083 10.451 1.00 0.00 O ATOM 2024 CB ASP B 55 -8.642 9.762 9.774 1.00 0.00 C ATOM 2025 CG ASP B 55 -7.979 10.599 10.854 1.00 0.00 C ATOM 2026 OD1 ASP B 55 -7.705 11.791 10.613 1.00 0.00 O ATOM 2027 OD2 ASP B 55 -7.709 10.059 11.950 1.00 0.00 O ATOM 0 H ASP B 55 -10.069 8.584 8.136 1.00 0.00 H new ATOM 0 HA ASP B 55 -10.563 9.601 10.722 1.00 0.00 H new ATOM 0 HB2 ASP B 55 -8.388 8.713 9.927 1.00 0.00 H new ATOM 0 HB3 ASP B 55 -8.241 10.048 8.802 1.00 0.00 H new ATOM 2032 N GLU B 56 -10.477 11.796 8.261 1.00 0.00 N ATOM 2033 CA GLU B 56 -10.832 13.156 7.867 1.00 0.00 C ATOM 2034 C GLU B 56 -12.302 13.447 8.144 1.00 0.00 C ATOM 2035 O GLU B 56 -12.650 14.520 8.649 1.00 0.00 O ATOM 2036 CB GLU B 56 -10.534 13.367 6.379 1.00 0.00 C ATOM 2037 CG GLU B 56 -9.052 13.408 6.046 1.00 0.00 C ATOM 2038 CD GLU B 56 -8.341 14.577 6.688 1.00 0.00 C ATOM 2039 OE1 GLU B 56 -8.516 15.715 6.208 1.00 0.00 O ATOM 2040 OE2 GLU B 56 -7.601 14.370 7.672 1.00 0.00 O ATOM 0 H GLU B 56 -10.174 11.207 7.485 1.00 0.00 H new ATOM 0 HA GLU B 56 -10.230 13.845 8.460 1.00 0.00 H new ATOM 0 HB2 GLU B 56 -11.002 12.565 5.808 1.00 0.00 H new ATOM 0 HB3 GLU B 56 -10.995 14.300 6.055 1.00 0.00 H new ATOM 0 HG2 GLU B 56 -8.585 12.479 6.374 1.00 0.00 H new ATOM 0 HG3 GLU B 56 -8.928 13.463 4.964 1.00 0.00 H new ATOM 2047 N PHE B 57 -13.164 12.500 7.806 1.00 0.00 N ATOM 2048 CA PHE B 57 -14.588 12.646 8.064 1.00 0.00 C ATOM 2049 C PHE B 57 -14.840 12.711 9.565 1.00 0.00 C ATOM 2050 O PHE B 57 -15.616 13.541 10.041 1.00 0.00 O ATOM 2051 CB PHE B 57 -15.365 11.485 7.437 1.00 0.00 C ATOM 2052 CG PHE B 57 -16.857 11.640 7.527 1.00 0.00 C ATOM 2053 CD1 PHE B 57 -17.505 12.655 6.840 1.00 0.00 C ATOM 2054 CD2 PHE B 57 -17.613 10.769 8.297 1.00 0.00 C ATOM 2055 CE1 PHE B 57 -18.876 12.802 6.923 1.00 0.00 C ATOM 2056 CE2 PHE B 57 -18.985 10.912 8.382 1.00 0.00 C ATOM 2057 CZ PHE B 57 -19.617 11.928 7.692 1.00 0.00 C ATOM 0 H PHE B 57 -12.903 11.624 7.353 1.00 0.00 H new ATOM 0 HA PHE B 57 -14.936 13.574 7.611 1.00 0.00 H new ATOM 0 HB2 PHE B 57 -15.080 11.393 6.389 1.00 0.00 H new ATOM 0 HB3 PHE B 57 -15.074 10.557 7.929 1.00 0.00 H new ATOM 0 HD1 PHE B 57 -16.931 13.339 6.233 1.00 0.00 H new ATOM 0 HD2 PHE B 57 -17.125 9.971 8.836 1.00 0.00 H new ATOM 0 HE1 PHE B 57 -19.368 13.600 6.387 1.00 0.00 H new ATOM 0 HE2 PHE B 57 -19.563 10.230 8.988 1.00 0.00 H new ATOM 0 HZ PHE B 57 -20.690 12.038 7.754 1.00 0.00 H new ATOM 2067 N ARG B 58 -14.145 11.855 10.304 1.00 0.00 N ATOM 2068 CA ARG B 58 -14.226 11.848 11.758 1.00 0.00 C ATOM 2069 C ARG B 58 -13.714 13.169 12.314 1.00 0.00 C ATOM 2070 O ARG B 58 -14.360 13.795 13.150 1.00 0.00 O ATOM 2071 CB ARG B 58 -13.408 10.686 12.330 1.00 0.00 C ATOM 2072 CG ARG B 58 -13.039 10.864 13.794 1.00 0.00 C ATOM 2073 CD ARG B 58 -12.135 9.749 14.296 1.00 0.00 C ATOM 2074 NE ARG B 58 -11.362 10.174 15.461 1.00 0.00 N ATOM 2075 CZ ARG B 58 -10.843 9.350 16.369 1.00 0.00 C ATOM 2076 NH1 ARG B 58 -11.071 8.042 16.298 1.00 0.00 N ATOM 2077 NH2 ARG B 58 -10.107 9.846 17.351 1.00 0.00 N ATOM 0 H ARG B 58 -13.515 11.153 9.916 1.00 0.00 H new ATOM 0 HA ARG B 58 -15.268 11.719 12.050 1.00 0.00 H new ATOM 0 HB2 ARG B 58 -13.976 9.763 12.217 1.00 0.00 H new ATOM 0 HB3 ARG B 58 -12.495 10.573 11.745 1.00 0.00 H new ATOM 0 HG2 ARG B 58 -12.539 11.823 13.927 1.00 0.00 H new ATOM 0 HG3 ARG B 58 -13.948 10.892 14.396 1.00 0.00 H new ATOM 0 HD2 ARG B 58 -12.738 8.879 14.555 1.00 0.00 H new ATOM 0 HD3 ARG B 58 -11.457 9.442 13.500 1.00 0.00 H new ATOM 0 HE ARG B 58 -11.209 11.174 15.588 1.00 0.00 H new ATOM 0 HH11 ARG B 58 -11.646 7.665 15.545 1.00 0.00 H new ATOM 0 HH12 ARG B 58 -10.671 7.416 16.997 1.00 0.00 H new ATOM 0 HH21 ARG B 58 -9.942 10.851 17.407 1.00 0.00 H new ATOM 0 HH22 ARG B 58 -9.705 9.223 18.052 1.00 0.00 H new ATOM 2091 N LYS B 59 -12.558 13.583 11.817 1.00 0.00 N ATOM 2092 CA LYS B 59 -11.917 14.819 12.240 1.00 0.00 C ATOM 2093 C LYS B 59 -12.872 15.990 12.081 1.00 0.00 C ATOM 2094 O LYS B 59 -13.026 16.809 12.986 1.00 0.00 O ATOM 2095 CB LYS B 59 -10.662 15.050 11.395 1.00 0.00 C ATOM 2096 CG LYS B 59 -9.793 16.201 11.861 1.00 0.00 C ATOM 2097 CD LYS B 59 -9.221 15.946 13.242 1.00 0.00 C ATOM 2098 CE LYS B 59 -8.081 16.898 13.556 1.00 0.00 C ATOM 2099 NZ LYS B 59 -8.505 18.325 13.533 1.00 0.00 N ATOM 0 H LYS B 59 -12.036 13.069 11.107 1.00 0.00 H new ATOM 0 HA LYS B 59 -11.641 14.739 13.291 1.00 0.00 H new ATOM 0 HB2 LYS B 59 -10.066 14.138 11.396 1.00 0.00 H new ATOM 0 HB3 LYS B 59 -10.963 15.233 10.363 1.00 0.00 H new ATOM 0 HG2 LYS B 59 -8.979 16.353 11.152 1.00 0.00 H new ATOM 0 HG3 LYS B 59 -10.380 17.119 11.874 1.00 0.00 H new ATOM 0 HD2 LYS B 59 -10.007 16.059 13.989 1.00 0.00 H new ATOM 0 HD3 LYS B 59 -8.866 14.918 13.306 1.00 0.00 H new ATOM 0 HE2 LYS B 59 -7.673 16.660 14.538 1.00 0.00 H new ATOM 0 HE3 LYS B 59 -7.279 16.749 12.833 1.00 0.00 H new ATOM 0 HZ1 LYS B 59 -7.718 18.926 13.852 1.00 0.00 H new ATOM 0 HZ2 LYS B 59 -8.774 18.592 12.564 1.00 0.00 H new ATOM 0 HZ3 LYS B 59 -9.319 18.455 14.167 1.00 0.00 H new ATOM 2113 N SER B 60 -13.525 16.044 10.931 1.00 0.00 N ATOM 2114 CA SER B 60 -14.451 17.117 10.627 1.00 0.00 C ATOM 2115 C SER B 60 -15.667 17.081 11.550 1.00 0.00 C ATOM 2116 O SER B 60 -16.011 18.086 12.175 1.00 0.00 O ATOM 2117 CB SER B 60 -14.883 17.025 9.163 1.00 0.00 C ATOM 2118 OG SER B 60 -13.750 17.036 8.305 1.00 0.00 O ATOM 0 H SER B 60 -13.428 15.350 10.189 1.00 0.00 H new ATOM 0 HA SER B 60 -13.943 18.067 10.792 1.00 0.00 H new ATOM 0 HB2 SER B 60 -15.457 16.112 9.004 1.00 0.00 H new ATOM 0 HB3 SER B 60 -15.539 17.861 8.919 1.00 0.00 H new ATOM 0 HG SER B 60 -13.279 16.179 8.374 1.00 0.00 H new ATOM 2124 N THR B 61 -16.292 15.919 11.665 1.00 0.00 N ATOM 2125 CA THR B 61 -17.525 15.800 12.430 1.00 0.00 C ATOM 2126 C THR B 61 -17.261 15.932 13.932 1.00 0.00 C ATOM 2127 O THR B 61 -18.050 16.533 14.645 1.00 0.00 O ATOM 2128 CB THR B 61 -18.275 14.475 12.125 1.00 0.00 C ATOM 2129 OG1 THR B 61 -19.585 14.499 12.704 1.00 0.00 O ATOM 2130 CG2 THR B 61 -17.520 13.262 12.650 1.00 0.00 C ATOM 0 H THR B 61 -15.969 15.049 11.241 1.00 0.00 H new ATOM 0 HA THR B 61 -18.169 16.623 12.119 1.00 0.00 H new ATOM 0 HB THR B 61 -18.349 14.391 11.041 1.00 0.00 H new ATOM 0 HG1 THR B 61 -19.857 13.586 12.936 1.00 0.00 H new ATOM 0 HG21 THR B 61 -18.079 12.356 12.416 1.00 0.00 H new ATOM 0 HG22 THR B 61 -16.537 13.214 12.181 1.00 0.00 H new ATOM 0 HG23 THR B 61 -17.402 13.346 13.730 1.00 0.00 H new