USER MOD reduce.3.24.130724 H: found=0, std=0, add=848, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 848 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 49 THR OG1 : rot -147:sc= -0.0646 USER MOD Set 1.2: B 51 THR OG1 : rot 100:sc= -2.62! USER MOD Set 2.1: B 8 ASN : amide:sc= -11.1! C(o=-10!,f=-16!) USER MOD Set 2.2: B 55 THR OG1 : rot -67:sc= 0.96 USER MOD Set 3.1: B 1 MET CE :methyl -151:sc= -0.824 (180deg=-0.322) USER MOD Set 3.2: B 1 MET N :NH3+ 162:sc= 0.801! (180deg=0.536) USER MOD Set 3.3: B 3 TYR OH : rot 180:sc= -0.708 USER MOD Set 4.1: A 8 ASN : amide:sc= -12.4! C(o=-11!,f=-15!) USER MOD Set 4.2: A 55 THR OG1 : rot -60:sc= 1.15 USER MOD Set 5.1: A 49 THR OG1 : rot -148:sc= -0.115 USER MOD Set 5.2: A 51 THR OG1 : rot 99:sc= -2.63! USER MOD Set 6.1: A 1 MET CE :methyl -173:sc= -0.396 (180deg=-0.223) USER MOD Set 6.2: A 1 MET N :NH3+ 163:sc= 0.678! (180deg=0.57) USER MOD Set 6.3: A 3 TYR OH : rot 180:sc= -1.07 USER MOD Single : A 2 GLN :FLIP amide:sc= -3.37! C(o=-5.5!,f=-3.4!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -147:sc= 0.645 (180deg=-0.88) USER MOD Single : A 16 THR OG1 : rot 180:sc= -1.13 USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.272 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot -116:sc= -2.52! USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN :FLIP amide:sc= -0.195 F(o=-1.3!,f=-0.19) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -0.499 K(o=-0.5,f=-1.6!) USER MOD Single : A 37 ASN : amide:sc= -4.99! C(o=-5!,f=-5!) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.236 USER MOD Single : A 45 TYR OH : rot -42:sc= 0.503! USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : B 2 GLN :FLIP amide:sc= -3.5! C(o=-5.3!,f=-3.5!) USER MOD Single : B 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 11 THR OG1 : rot 180:sc= 0 USER MOD Single : B 13 LYS NZ :NH3+ -150:sc= 0.551 (180deg=-0.916) USER MOD Single : B 16 THR OG1 : rot 180:sc= -1.12 USER MOD Single : B 17 THR OG1 : rot 180:sc= -0.335 USER MOD Single : B 18 THR OG1 : rot 180:sc= 0 USER MOD Single : B 25 THR OG1 : rot -116:sc= -2.42! USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 32 GLN :FLIP amide:sc= -0.264 F(o=-0.8,f=-0.26) USER MOD Single : B 33 TYR OH : rot 180:sc= 0 USER MOD Single : B 35 ASN : amide:sc= -6.1! C(o=-6.1!,f=-12!) USER MOD Single : B 37 ASN : amide:sc= -2.5! C(o=-2.5!,f=-4.7!) USER MOD Single : B 44 THR OG1 : rot 180:sc= -0.309 USER MOD Single : B 45 TYR OH : rot -43:sc= 0.35! USER MOD Single : B 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 53 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.510 5.700 -18.637 1.00 0.00 N ATOM 2 CA MET A 1 -5.746 6.038 -17.871 1.00 0.00 C ATOM 3 C MET A 1 -5.571 5.619 -16.425 1.00 0.00 C ATOM 4 O MET A 1 -4.456 5.414 -15.962 1.00 0.00 O ATOM 5 CB MET A 1 -6.961 5.330 -18.510 1.00 0.00 C ATOM 6 CG MET A 1 -7.115 3.870 -18.027 1.00 0.00 C ATOM 7 SD MET A 1 -5.498 3.073 -17.834 1.00 0.00 S ATOM 8 CE MET A 1 -5.204 2.724 -19.585 1.00 0.00 C ATOM 0 H1 MET A 1 -4.719 5.713 -19.656 1.00 0.00 H new ATOM 0 H2 MET A 1 -3.769 6.399 -18.427 1.00 0.00 H new ATOM 0 H3 MET A 1 -4.180 4.753 -18.363 1.00 0.00 H new ATOM 0 HA MET A 1 -5.921 7.113 -17.902 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.868 5.886 -18.272 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.855 5.341 -19.595 1.00 0.00 H new ATOM 0 HG2 MET A 1 -7.648 3.852 -17.077 1.00 0.00 H new ATOM 0 HG3 MET A 1 -7.718 3.309 -18.741 1.00 0.00 H new ATOM 0 HE1 MET A 1 -4.305 2.116 -19.689 1.00 0.00 H new ATOM 0 HE2 MET A 1 -6.057 2.185 -19.997 1.00 0.00 H new ATOM 0 HE3 MET A 1 -5.072 3.661 -20.126 1.00 0.00 H new ATOM 20 N GLN A 2 -6.672 5.495 -15.716 1.00 0.00 N ATOM 21 CA GLN A 2 -6.598 5.099 -14.336 1.00 0.00 C ATOM 22 C GLN A 2 -6.157 3.652 -14.291 1.00 0.00 C ATOM 23 O GLN A 2 -6.725 2.807 -14.969 1.00 0.00 O ATOM 24 CB GLN A 2 -7.973 5.242 -13.676 1.00 0.00 C ATOM 25 CG GLN A 2 -7.826 5.166 -12.157 1.00 0.00 C ATOM 26 CD GLN A 2 -7.103 6.406 -11.654 1.00 0.00 C ATOM 27 OE1 GLN A 2 -5.984 6.256 -10.984 1.00 0.00 O flip ATOM 28 NE2 GLN A 2 -7.525 7.524 -11.919 1.00 0.00 N flip ATOM 0 H GLN A 2 -7.614 5.661 -16.070 1.00 0.00 H new ATOM 0 HA GLN A 2 -5.891 5.731 -13.799 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -8.426 6.192 -13.960 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -8.639 4.453 -14.026 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -8.808 5.090 -11.689 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -7.270 4.270 -11.879 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -8.395 7.630 -12.440 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -7.006 8.349 -11.619 1.00 0.00 H new ATOM 37 N TYR A 3 -5.173 3.363 -13.458 1.00 0.00 N ATOM 38 CA TYR A 3 -4.681 2.008 -13.286 1.00 0.00 C ATOM 39 C TYR A 3 -5.016 1.635 -11.850 1.00 0.00 C ATOM 40 O TYR A 3 -5.074 2.532 -11.014 1.00 0.00 O ATOM 41 CB TYR A 3 -3.177 1.987 -13.572 1.00 0.00 C ATOM 42 CG TYR A 3 -2.937 2.367 -15.011 1.00 0.00 C ATOM 43 CD1 TYR A 3 -2.965 1.381 -16.015 1.00 0.00 C ATOM 44 CD2 TYR A 3 -2.632 3.699 -15.350 1.00 0.00 C ATOM 45 CE1 TYR A 3 -2.735 1.736 -17.358 1.00 0.00 C ATOM 46 CE2 TYR A 3 -2.386 4.048 -16.691 1.00 0.00 C ATOM 47 CZ TYR A 3 -2.463 3.072 -17.695 1.00 0.00 C ATOM 48 OH TYR A 3 -2.243 3.414 -19.011 1.00 0.00 O ATOM 0 H TYR A 3 -4.695 4.057 -12.884 1.00 0.00 H new ATOM 0 HA TYR A 3 -5.133 1.288 -13.968 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -2.660 2.681 -12.910 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -2.771 0.995 -13.374 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -3.163 0.352 -15.755 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -2.587 4.454 -14.579 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -2.768 0.981 -18.129 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -2.138 5.068 -16.947 1.00 0.00 H new ATOM 0 HH TYR A 3 -2.070 4.377 -19.074 1.00 0.00 H new ATOM 58 N LYS A 4 -5.268 0.358 -11.521 1.00 0.00 N ATOM 59 CA LYS A 4 -5.625 0.006 -10.136 1.00 0.00 C ATOM 60 C LYS A 4 -4.866 -1.238 -9.713 1.00 0.00 C ATOM 61 O LYS A 4 -4.911 -2.243 -10.406 1.00 0.00 O ATOM 62 CB LYS A 4 -7.141 -0.276 -10.075 1.00 0.00 C ATOM 63 CG LYS A 4 -7.501 -1.046 -8.786 1.00 0.00 C ATOM 64 CD LYS A 4 -9.017 -1.170 -8.629 1.00 0.00 C ATOM 65 CE LYS A 4 -9.592 -2.131 -9.666 1.00 0.00 C ATOM 66 NZ LYS A 4 -11.035 -2.361 -9.369 1.00 0.00 N ATOM 0 H LYS A 4 -5.233 -0.427 -12.172 1.00 0.00 H new ATOM 0 HA LYS A 4 -5.367 0.827 -9.467 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -7.692 0.664 -10.109 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -7.444 -0.855 -10.947 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -7.052 -2.039 -8.813 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -7.083 -0.531 -7.921 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -9.256 -1.524 -7.626 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -9.480 -0.189 -8.739 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -9.475 -1.717 -10.668 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -9.048 -3.076 -9.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -11.434 -3.015 -10.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -11.133 -2.772 -8.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -11.546 -1.456 -9.409 1.00 0.00 H new ATOM 80 N LEU A 5 -4.210 -1.185 -8.554 1.00 0.00 N ATOM 81 CA LEU A 5 -3.443 -2.333 -8.060 1.00 0.00 C ATOM 82 C LEU A 5 -4.206 -3.203 -7.082 1.00 0.00 C ATOM 83 O LEU A 5 -4.783 -2.715 -6.116 1.00 0.00 O ATOM 84 CB LEU A 5 -2.155 -1.849 -7.388 1.00 0.00 C ATOM 85 CG LEU A 5 -1.321 -3.057 -6.849 1.00 0.00 C ATOM 86 CD1 LEU A 5 0.107 -3.032 -7.416 1.00 0.00 C ATOM 87 CD2 LEU A 5 -1.253 -3.010 -5.313 1.00 0.00 C ATOM 0 H LEU A 5 -4.193 -0.368 -7.943 1.00 0.00 H new ATOM 0 HA LEU A 5 -3.226 -2.947 -8.934 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -1.559 -1.280 -8.101 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -2.399 -1.175 -6.567 1.00 0.00 H new ATOM 0 HG LEU A 5 -1.814 -3.975 -7.168 1.00 0.00 H new ATOM 0 HD11 LEU A 5 0.668 -3.882 -7.027 1.00 0.00 H new ATOM 0 HD12 LEU A 5 0.068 -3.091 -8.504 1.00 0.00 H new ATOM 0 HD13 LEU A 5 0.600 -2.106 -7.120 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -0.670 -3.856 -4.949 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -0.779 -2.080 -4.998 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -2.261 -3.061 -4.902 1.00 0.00 H new ATOM 99 N ILE A 6 -4.134 -4.520 -7.342 1.00 0.00 N ATOM 100 CA ILE A 6 -4.756 -5.532 -6.489 1.00 0.00 C ATOM 101 C ILE A 6 -3.670 -6.185 -5.675 1.00 0.00 C ATOM 102 O ILE A 6 -2.623 -6.569 -6.219 1.00 0.00 O ATOM 103 CB ILE A 6 -5.437 -6.604 -7.322 1.00 0.00 C ATOM 104 CG1 ILE A 6 -6.364 -5.916 -8.311 1.00 0.00 C ATOM 105 CG2 ILE A 6 -6.219 -7.536 -6.392 1.00 0.00 C ATOM 106 CD1 ILE A 6 -7.023 -6.944 -9.226 1.00 0.00 C ATOM 0 H ILE A 6 -3.643 -4.906 -8.148 1.00 0.00 H new ATOM 0 HA ILE A 6 -5.503 -5.053 -5.856 1.00 0.00 H new ATOM 0 HB ILE A 6 -4.708 -7.201 -7.870 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -7.129 -5.355 -7.773 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -5.802 -5.197 -8.907 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -6.711 -8.309 -6.982 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -5.534 -8.001 -5.683 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -6.969 -6.962 -5.848 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -7.684 -6.436 -9.928 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -6.255 -7.486 -9.778 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -7.602 -7.646 -8.627 1.00 0.00 H new ATOM 118 N LEU A 7 -3.875 -6.282 -4.373 1.00 0.00 N ATOM 119 CA LEU A 7 -2.883 -6.838 -3.484 1.00 0.00 C ATOM 120 C LEU A 7 -3.314 -8.215 -2.970 1.00 0.00 C ATOM 121 O LEU A 7 -4.332 -8.338 -2.294 1.00 0.00 O ATOM 122 CB LEU A 7 -2.762 -5.857 -2.316 1.00 0.00 C ATOM 123 CG LEU A 7 -1.566 -6.173 -1.421 1.00 0.00 C ATOM 124 CD1 LEU A 7 -0.247 -6.027 -2.203 1.00 0.00 C ATOM 125 CD2 LEU A 7 -1.584 -5.187 -0.253 1.00 0.00 C ATOM 0 H LEU A 7 -4.731 -5.978 -3.909 1.00 0.00 H new ATOM 0 HA LEU A 7 -1.933 -6.974 -4.000 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -2.666 -4.843 -2.704 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -3.676 -5.886 -1.723 1.00 0.00 H new ATOM 0 HG LEU A 7 -1.632 -7.200 -1.063 1.00 0.00 H new ATOM 0 HD11 LEU A 7 0.592 -6.257 -1.547 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -0.246 -6.716 -3.047 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -0.152 -5.005 -2.569 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -0.739 -5.388 0.406 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -1.512 -4.169 -0.635 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -2.514 -5.300 0.304 1.00 0.00 H new ATOM 137 N ASN A 8 -2.458 -9.218 -3.196 1.00 0.00 N ATOM 138 CA ASN A 8 -2.693 -10.550 -2.634 1.00 0.00 C ATOM 139 C ASN A 8 -1.467 -10.895 -1.789 1.00 0.00 C ATOM 140 O ASN A 8 -0.386 -11.143 -2.315 1.00 0.00 O ATOM 141 CB ASN A 8 -3.011 -11.676 -3.681 1.00 0.00 C ATOM 142 CG ASN A 8 -2.804 -11.289 -5.148 1.00 0.00 C ATOM 143 OD1 ASN A 8 -2.547 -12.172 -5.961 1.00 0.00 O ATOM 144 ND2 ASN A 8 -2.832 -10.024 -5.495 1.00 0.00 N ATOM 0 H ASN A 8 -1.609 -9.134 -3.755 1.00 0.00 H new ATOM 0 HA ASN A 8 -3.604 -10.510 -2.037 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -2.386 -12.541 -3.460 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -4.047 -11.989 -3.549 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -2.637 -9.755 -6.460 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -3.048 -9.309 -4.800 1.00 0.00 H new ATOM 151 N GLY A 9 -1.643 -10.878 -0.469 1.00 0.00 N ATOM 152 CA GLY A 9 -0.537 -11.161 0.443 1.00 0.00 C ATOM 153 C GLY A 9 -1.055 -11.632 1.790 1.00 0.00 C ATOM 154 O GLY A 9 -2.136 -11.248 2.210 1.00 0.00 O ATOM 0 H GLY A 9 -2.531 -10.674 -0.011 1.00 0.00 H new ATOM 0 HA2 GLY A 9 0.111 -11.924 0.011 1.00 0.00 H new ATOM 0 HA3 GLY A 9 0.070 -10.265 0.575 1.00 0.00 H new ATOM 158 N LYS A 10 -0.278 -12.467 2.462 1.00 0.00 N ATOM 159 CA LYS A 10 -0.677 -12.982 3.757 1.00 0.00 C ATOM 160 C LYS A 10 -0.577 -11.879 4.806 1.00 0.00 C ATOM 161 O LYS A 10 -1.426 -11.755 5.689 1.00 0.00 O ATOM 162 CB LYS A 10 0.227 -14.156 4.144 1.00 0.00 C ATOM 163 CG LYS A 10 0.403 -15.116 2.952 1.00 0.00 C ATOM 164 CD LYS A 10 -0.942 -15.725 2.533 1.00 0.00 C ATOM 165 CE LYS A 10 -0.708 -16.746 1.413 1.00 0.00 C ATOM 166 NZ LYS A 10 -2.019 -17.285 0.950 1.00 0.00 N ATOM 0 H LYS A 10 0.628 -12.800 2.132 1.00 0.00 H new ATOM 0 HA LYS A 10 -1.709 -13.328 3.705 1.00 0.00 H new ATOM 0 HB2 LYS A 10 1.200 -13.783 4.465 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -0.204 -14.692 4.990 1.00 0.00 H new ATOM 0 HG2 LYS A 10 0.841 -14.580 2.110 1.00 0.00 H new ATOM 0 HG3 LYS A 10 1.098 -15.911 3.221 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -1.418 -16.207 3.387 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -1.619 -14.942 2.191 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -0.182 -16.276 0.582 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -0.075 -17.558 1.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -1.861 -17.978 0.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -2.504 -17.748 1.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -2.607 -16.506 0.591 1.00 0.00 H new ATOM 180 N THR A 11 0.491 -11.088 4.702 1.00 0.00 N ATOM 181 CA THR A 11 0.747 -10.001 5.641 1.00 0.00 C ATOM 182 C THR A 11 0.129 -8.689 5.159 1.00 0.00 C ATOM 183 O THR A 11 0.081 -7.711 5.905 1.00 0.00 O ATOM 184 CB THR A 11 2.265 -9.829 5.791 1.00 0.00 C ATOM 185 OG1 THR A 11 2.886 -11.100 5.694 1.00 0.00 O ATOM 186 CG2 THR A 11 2.600 -9.213 7.144 1.00 0.00 C ATOM 0 H THR A 11 1.196 -11.183 3.971 1.00 0.00 H new ATOM 0 HA THR A 11 0.292 -10.252 6.599 1.00 0.00 H new ATOM 0 HB THR A 11 2.627 -9.169 5.003 1.00 0.00 H new ATOM 0 HG1 THR A 11 3.856 -10.998 5.787 1.00 0.00 H new ATOM 0 HG21 THR A 11 3.680 -9.098 7.234 1.00 0.00 H new ATOM 0 HG22 THR A 11 2.123 -8.237 7.227 1.00 0.00 H new ATOM 0 HG23 THR A 11 2.237 -9.863 7.940 1.00 0.00 H new ATOM 194 N LEU A 12 -0.313 -8.648 3.905 1.00 0.00 N ATOM 195 CA LEU A 12 -0.889 -7.426 3.356 1.00 0.00 C ATOM 196 C LEU A 12 -1.963 -7.769 2.311 1.00 0.00 C ATOM 197 O LEU A 12 -1.774 -8.661 1.482 1.00 0.00 O ATOM 198 CB LEU A 12 0.251 -6.585 2.731 1.00 0.00 C ATOM 199 CG LEU A 12 0.002 -5.066 2.935 1.00 0.00 C ATOM 200 CD1 LEU A 12 0.274 -4.676 4.407 1.00 0.00 C ATOM 201 CD2 LEU A 12 0.918 -4.223 1.999 1.00 0.00 C ATOM 0 H LEU A 12 -0.284 -9.436 3.258 1.00 0.00 H new ATOM 0 HA LEU A 12 -1.371 -6.848 4.144 1.00 0.00 H new ATOM 0 HB2 LEU A 12 1.203 -6.864 3.183 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.327 -6.804 1.666 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.039 -4.858 2.688 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.096 -3.609 4.539 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.392 -5.239 5.061 1.00 0.00 H new ATOM 0 HD13 LEU A 12 1.309 -4.906 4.659 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.725 -3.162 2.160 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.963 -4.440 2.221 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.708 -4.476 0.960 1.00 0.00 H new ATOM 213 N LYS A 13 -3.074 -7.028 2.346 1.00 0.00 N ATOM 214 CA LYS A 13 -4.175 -7.202 1.390 1.00 0.00 C ATOM 215 C LYS A 13 -4.846 -5.847 1.178 1.00 0.00 C ATOM 216 O LYS A 13 -4.913 -5.044 2.109 1.00 0.00 O ATOM 217 CB LYS A 13 -5.203 -8.223 1.900 1.00 0.00 C ATOM 218 CG LYS A 13 -4.572 -9.613 1.894 1.00 0.00 C ATOM 219 CD LYS A 13 -5.578 -10.668 2.376 1.00 0.00 C ATOM 220 CE LYS A 13 -4.881 -12.017 2.509 1.00 0.00 C ATOM 221 NZ LYS A 13 -4.330 -12.435 1.187 1.00 0.00 N ATOM 0 H LYS A 13 -3.237 -6.293 3.034 1.00 0.00 H new ATOM 0 HA LYS A 13 -3.775 -7.582 0.450 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -5.525 -7.961 2.908 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -6.091 -8.210 1.268 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -4.233 -9.860 0.888 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -3.692 -9.621 2.538 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -6.001 -10.370 3.335 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -6.407 -10.743 1.672 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -4.078 -11.951 3.243 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -5.585 -12.766 2.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -4.371 -13.471 1.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -4.893 -12.006 0.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -3.342 -12.120 1.107 1.00 0.00 H new ATOM 235 N GLY A 14 -5.345 -5.581 -0.034 1.00 0.00 N ATOM 236 CA GLY A 14 -6.004 -4.297 -0.300 1.00 0.00 C ATOM 237 C GLY A 14 -5.882 -3.886 -1.763 1.00 0.00 C ATOM 238 O GLY A 14 -5.329 -4.615 -2.583 1.00 0.00 O ATOM 0 H GLY A 14 -5.308 -6.219 -0.829 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -7.058 -4.367 -0.030 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -5.563 -3.525 0.331 1.00 0.00 H new ATOM 242 N GLU A 15 -6.415 -2.702 -2.093 1.00 0.00 N ATOM 243 CA GLU A 15 -6.361 -2.199 -3.470 1.00 0.00 C ATOM 244 C GLU A 15 -5.991 -0.718 -3.470 1.00 0.00 C ATOM 245 O GLU A 15 -6.651 0.090 -2.822 1.00 0.00 O ATOM 246 CB GLU A 15 -7.719 -2.359 -4.173 1.00 0.00 C ATOM 247 CG GLU A 15 -8.242 -3.798 -4.037 1.00 0.00 C ATOM 248 CD GLU A 15 -9.745 -3.821 -4.305 1.00 0.00 C ATOM 249 OE1 GLU A 15 -10.162 -3.572 -5.458 1.00 0.00 O ATOM 250 OE2 GLU A 15 -10.501 -3.977 -3.322 1.00 0.00 O ATOM 0 H GLU A 15 -6.883 -2.081 -1.433 1.00 0.00 H new ATOM 0 HA GLU A 15 -5.609 -2.780 -4.004 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -8.440 -1.664 -3.743 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -7.619 -2.102 -5.228 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -7.726 -4.452 -4.741 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -8.034 -4.179 -3.037 1.00 0.00 H new ATOM 257 N THR A 16 -4.965 -0.356 -4.239 1.00 0.00 N ATOM 258 CA THR A 16 -4.547 1.051 -4.353 1.00 0.00 C ATOM 259 C THR A 16 -4.905 1.525 -5.756 1.00 0.00 C ATOM 260 O THR A 16 -5.190 0.691 -6.616 1.00 0.00 O ATOM 261 CB THR A 16 -3.043 1.165 -4.086 1.00 0.00 C ATOM 262 OG1 THR A 16 -2.324 0.528 -5.122 1.00 0.00 O ATOM 263 CG2 THR A 16 -2.725 0.479 -2.756 1.00 0.00 C ATOM 0 H THR A 16 -4.408 -1.008 -4.791 1.00 0.00 H new ATOM 0 HA THR A 16 -5.055 1.677 -3.619 1.00 0.00 H new ATOM 0 HB THR A 16 -2.757 2.216 -4.045 1.00 0.00 H new ATOM 0 HG1 THR A 16 -1.363 0.605 -4.948 1.00 0.00 H new ATOM 0 HG21 THR A 16 -1.656 0.553 -2.555 1.00 0.00 H new ATOM 0 HG22 THR A 16 -3.280 0.965 -1.954 1.00 0.00 H new ATOM 0 HG23 THR A 16 -3.012 -0.571 -2.811 1.00 0.00 H new ATOM 271 N THR A 17 -4.913 2.834 -6.032 1.00 0.00 N ATOM 272 CA THR A 17 -5.262 3.299 -7.378 1.00 0.00 C ATOM 273 C THR A 17 -4.514 4.599 -7.700 1.00 0.00 C ATOM 274 O THR A 17 -4.491 5.527 -6.889 1.00 0.00 O ATOM 275 CB THR A 17 -6.786 3.510 -7.467 1.00 0.00 C ATOM 276 OG1 THR A 17 -7.443 2.410 -6.850 1.00 0.00 O ATOM 277 CG2 THR A 17 -7.234 3.598 -8.927 1.00 0.00 C ATOM 0 H THR A 17 -4.689 3.571 -5.363 1.00 0.00 H new ATOM 0 HA THR A 17 -4.966 2.548 -8.110 1.00 0.00 H new ATOM 0 HB THR A 17 -7.042 4.441 -6.962 1.00 0.00 H new ATOM 0 HG1 THR A 17 -8.413 2.538 -6.901 1.00 0.00 H new ATOM 0 HG21 THR A 17 -8.313 3.747 -8.968 1.00 0.00 H new ATOM 0 HG22 THR A 17 -6.733 4.436 -9.411 1.00 0.00 H new ATOM 0 HG23 THR A 17 -6.975 2.673 -9.443 1.00 0.00 H new ATOM 285 N THR A 18 -3.920 4.669 -8.892 1.00 0.00 N ATOM 286 CA THR A 18 -3.186 5.867 -9.321 1.00 0.00 C ATOM 287 C THR A 18 -3.353 6.066 -10.823 1.00 0.00 C ATOM 288 O THR A 18 -3.593 5.105 -11.561 1.00 0.00 O ATOM 289 CB THR A 18 -1.669 5.739 -8.997 1.00 0.00 C ATOM 290 OG1 THR A 18 -1.097 7.040 -8.965 1.00 0.00 O ATOM 291 CG2 THR A 18 -0.930 4.895 -10.067 1.00 0.00 C ATOM 0 H THR A 18 -3.931 3.914 -9.578 1.00 0.00 H new ATOM 0 HA THR A 18 -3.593 6.722 -8.781 1.00 0.00 H new ATOM 0 HB THR A 18 -1.564 5.241 -8.033 1.00 0.00 H new ATOM 0 HG1 THR A 18 -0.141 6.972 -8.760 1.00 0.00 H new ATOM 0 HG21 THR A 18 0.127 4.826 -9.810 1.00 0.00 H new ATOM 0 HG22 THR A 18 -1.361 3.894 -10.103 1.00 0.00 H new ATOM 0 HG23 THR A 18 -1.036 5.370 -11.042 1.00 0.00 H new ATOM 299 N GLU A 19 -3.171 7.294 -11.290 1.00 0.00 N ATOM 300 CA GLU A 19 -3.234 7.604 -12.702 1.00 0.00 C ATOM 301 C GLU A 19 -1.850 8.136 -13.040 1.00 0.00 C ATOM 302 O GLU A 19 -1.376 9.065 -12.390 1.00 0.00 O ATOM 303 CB GLU A 19 -4.306 8.668 -12.946 1.00 0.00 C ATOM 304 CG GLU A 19 -4.408 8.994 -14.434 1.00 0.00 C ATOM 305 CD GLU A 19 -5.509 10.025 -14.646 1.00 0.00 C ATOM 306 OE1 GLU A 19 -5.637 10.944 -13.808 1.00 0.00 O ATOM 307 OE2 GLU A 19 -6.294 9.842 -15.604 1.00 0.00 O ATOM 0 H GLU A 19 -2.976 8.100 -10.696 1.00 0.00 H new ATOM 0 HA GLU A 19 -3.496 6.743 -13.317 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -5.269 8.313 -12.579 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -4.064 9.571 -12.386 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -3.457 9.380 -14.800 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -4.625 8.090 -15.003 1.00 0.00 H new ATOM 314 N ALA A 20 -1.174 7.516 -13.993 1.00 0.00 N ATOM 315 CA ALA A 20 0.200 7.907 -14.326 1.00 0.00 C ATOM 316 C ALA A 20 0.239 8.578 -15.670 1.00 0.00 C ATOM 317 O ALA A 20 -0.796 8.712 -16.326 1.00 0.00 O ATOM 318 CB ALA A 20 1.096 6.667 -14.341 1.00 0.00 C ATOM 0 H ALA A 20 -1.544 6.745 -14.550 1.00 0.00 H new ATOM 0 HA ALA A 20 0.561 8.608 -13.573 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.117 6.959 -14.589 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.081 6.196 -13.358 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.729 5.962 -15.087 1.00 0.00 H new ATOM 324 N VAL A 21 1.427 8.971 -16.115 1.00 0.00 N ATOM 325 CA VAL A 21 1.490 9.586 -17.414 1.00 0.00 C ATOM 326 C VAL A 21 0.978 8.560 -18.404 1.00 0.00 C ATOM 327 O VAL A 21 0.193 8.903 -19.289 1.00 0.00 O ATOM 328 CB VAL A 21 2.898 10.096 -17.758 1.00 0.00 C ATOM 329 CG1 VAL A 21 3.901 8.956 -17.728 1.00 0.00 C ATOM 330 CG2 VAL A 21 2.878 10.726 -19.154 1.00 0.00 C ATOM 0 H VAL A 21 2.313 8.878 -15.618 1.00 0.00 H new ATOM 0 HA VAL A 21 0.870 10.482 -17.444 1.00 0.00 H new ATOM 0 HB VAL A 21 3.196 10.839 -17.019 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.892 9.337 -17.974 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.919 8.514 -16.732 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.612 8.198 -18.456 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.875 11.090 -19.403 1.00 0.00 H new ATOM 0 HG22 VAL A 21 2.571 9.979 -19.886 1.00 0.00 H new ATOM 0 HG23 VAL A 21 2.174 11.558 -19.168 1.00 0.00 H new ATOM 340 N ASP A 22 1.363 7.279 -18.245 1.00 0.00 N ATOM 341 CA ASP A 22 0.867 6.235 -19.113 1.00 0.00 C ATOM 342 C ASP A 22 1.143 4.854 -18.479 1.00 0.00 C ATOM 343 O ASP A 22 1.837 4.728 -17.468 1.00 0.00 O ATOM 344 CB ASP A 22 1.531 6.281 -20.486 1.00 0.00 C ATOM 345 CG ASP A 22 0.971 5.148 -21.338 1.00 0.00 C ATOM 346 OD1 ASP A 22 -0.123 5.331 -21.915 1.00 0.00 O ATOM 347 OD2 ASP A 22 1.561 4.039 -21.341 1.00 0.00 O ATOM 0 H ASP A 22 2.011 6.961 -17.525 1.00 0.00 H new ATOM 0 HA ASP A 22 -0.204 6.394 -19.237 1.00 0.00 H new ATOM 0 HB2 ASP A 22 1.343 7.242 -20.965 1.00 0.00 H new ATOM 0 HB3 ASP A 22 2.612 6.180 -20.387 1.00 0.00 H new ATOM 352 N ALA A 23 0.517 3.858 -19.068 1.00 0.00 N ATOM 353 CA ALA A 23 0.608 2.478 -18.563 1.00 0.00 C ATOM 354 C ALA A 23 2.057 2.105 -18.247 1.00 0.00 C ATOM 355 O ALA A 23 2.334 1.463 -17.233 1.00 0.00 O ATOM 356 CB ALA A 23 0.083 1.488 -19.600 1.00 0.00 C ATOM 0 H ALA A 23 -0.065 3.964 -19.899 1.00 0.00 H new ATOM 0 HA ALA A 23 0.005 2.428 -17.656 1.00 0.00 H new ATOM 0 HB1 ALA A 23 0.159 0.474 -19.207 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -0.960 1.713 -19.823 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.674 1.569 -20.512 1.00 0.00 H new ATOM 362 N ALA A 24 2.970 2.506 -19.119 1.00 0.00 N ATOM 363 CA ALA A 24 4.383 2.211 -18.943 1.00 0.00 C ATOM 364 C ALA A 24 4.923 2.836 -17.661 1.00 0.00 C ATOM 365 O ALA A 24 5.878 2.332 -17.076 1.00 0.00 O ATOM 366 CB ALA A 24 5.180 2.724 -20.140 1.00 0.00 C ATOM 0 H ALA A 24 2.755 3.040 -19.961 1.00 0.00 H new ATOM 0 HA ALA A 24 4.492 1.129 -18.870 1.00 0.00 H new ATOM 0 HB1 ALA A 24 6.237 2.498 -19.997 1.00 0.00 H new ATOM 0 HB2 ALA A 24 4.824 2.239 -21.049 1.00 0.00 H new ATOM 0 HB3 ALA A 24 5.049 3.802 -20.229 1.00 0.00 H new ATOM 372 N THR A 25 4.300 3.920 -17.214 1.00 0.00 N ATOM 373 CA THR A 25 4.743 4.573 -15.979 1.00 0.00 C ATOM 374 C THR A 25 4.102 3.905 -14.773 1.00 0.00 C ATOM 375 O THR A 25 4.792 3.484 -13.851 1.00 0.00 O ATOM 376 CB THR A 25 4.416 6.063 -15.996 1.00 0.00 C ATOM 377 OG1 THR A 25 5.075 6.654 -17.106 1.00 0.00 O ATOM 378 CG2 THR A 25 4.917 6.701 -14.693 1.00 0.00 C ATOM 0 H THR A 25 3.503 4.361 -17.673 1.00 0.00 H new ATOM 0 HA THR A 25 5.826 4.467 -15.909 1.00 0.00 H new ATOM 0 HB THR A 25 3.340 6.218 -16.080 1.00 0.00 H new ATOM 0 HG1 THR A 25 5.736 7.303 -16.786 1.00 0.00 H new ATOM 0 HG21 THR A 25 4.687 7.766 -14.698 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.425 6.227 -13.843 1.00 0.00 H new ATOM 0 HG23 THR A 25 5.995 6.563 -14.611 1.00 0.00 H new ATOM 386 N ALA A 26 2.782 3.807 -14.785 1.00 0.00 N ATOM 387 CA ALA A 26 2.068 3.183 -13.675 1.00 0.00 C ATOM 388 C ALA A 26 2.651 1.788 -13.393 1.00 0.00 C ATOM 389 O ALA A 26 3.011 1.447 -12.269 1.00 0.00 O ATOM 390 CB ALA A 26 0.575 3.077 -14.044 1.00 0.00 C ATOM 0 H ALA A 26 2.186 4.146 -15.540 1.00 0.00 H new ATOM 0 HA ALA A 26 2.179 3.788 -12.775 1.00 0.00 H new ATOM 0 HB1 ALA A 26 0.029 2.612 -13.223 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.174 4.074 -14.228 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.465 2.470 -14.943 1.00 0.00 H new ATOM 396 N GLU A 27 2.819 1.045 -14.462 1.00 0.00 N ATOM 397 CA GLU A 27 3.420 -0.282 -14.337 1.00 0.00 C ATOM 398 C GLU A 27 4.777 -0.158 -13.677 1.00 0.00 C ATOM 399 O GLU A 27 5.051 -0.817 -12.667 1.00 0.00 O ATOM 400 CB GLU A 27 3.472 -1.053 -15.648 1.00 0.00 C ATOM 401 CG GLU A 27 4.546 -0.536 -16.595 1.00 0.00 C ATOM 402 CD GLU A 27 4.340 -1.237 -17.938 1.00 0.00 C ATOM 403 OE1 GLU A 27 3.178 -1.625 -18.189 1.00 0.00 O ATOM 404 OE2 GLU A 27 5.314 -1.455 -18.695 1.00 0.00 O ATOM 0 H GLU A 27 2.559 1.318 -15.410 1.00 0.00 H new ATOM 0 HA GLU A 27 2.772 -0.884 -13.700 1.00 0.00 H new ATOM 0 HB2 GLU A 27 3.656 -2.106 -15.437 1.00 0.00 H new ATOM 0 HB3 GLU A 27 2.501 -0.991 -16.139 1.00 0.00 H new ATOM 0 HG2 GLU A 27 4.470 0.545 -16.710 1.00 0.00 H new ATOM 0 HG3 GLU A 27 5.540 -0.745 -16.200 1.00 0.00 H new ATOM 411 N LYS A 28 5.592 0.746 -14.185 1.00 0.00 N ATOM 412 CA LYS A 28 6.900 0.986 -13.584 1.00 0.00 C ATOM 413 C LYS A 28 6.776 1.421 -12.119 1.00 0.00 C ATOM 414 O LYS A 28 7.521 0.936 -11.270 1.00 0.00 O ATOM 415 CB LYS A 28 7.642 2.072 -14.374 1.00 0.00 C ATOM 416 CG LYS A 28 9.138 2.023 -14.049 1.00 0.00 C ATOM 417 CD LYS A 28 9.895 3.020 -14.937 1.00 0.00 C ATOM 418 CE LYS A 28 9.571 4.460 -14.514 1.00 0.00 C ATOM 419 NZ LYS A 28 10.596 5.386 -15.072 1.00 0.00 N ATOM 0 H LYS A 28 5.381 1.321 -15.000 1.00 0.00 H new ATOM 0 HA LYS A 28 7.458 0.050 -13.617 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.488 1.925 -15.443 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.239 3.054 -14.126 1.00 0.00 H new ATOM 0 HG2 LYS A 28 9.299 2.263 -12.998 1.00 0.00 H new ATOM 0 HG3 LYS A 28 9.522 1.015 -14.209 1.00 0.00 H new ATOM 0 HD2 LYS A 28 10.968 2.844 -14.861 1.00 0.00 H new ATOM 0 HD3 LYS A 28 9.620 2.869 -15.981 1.00 0.00 H new ATOM 0 HE2 LYS A 28 8.580 4.740 -14.871 1.00 0.00 H new ATOM 0 HE3 LYS A 28 9.552 4.535 -13.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 10.376 6.361 -14.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 11.535 5.123 -14.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 10.594 5.322 -16.110 1.00 0.00 H new ATOM 433 N VAL A 29 5.876 2.365 -11.821 1.00 0.00 N ATOM 434 CA VAL A 29 5.744 2.865 -10.452 1.00 0.00 C ATOM 435 C VAL A 29 5.299 1.770 -9.478 1.00 0.00 C ATOM 436 O VAL A 29 6.025 1.453 -8.537 1.00 0.00 O ATOM 437 CB VAL A 29 4.726 4.010 -10.467 1.00 0.00 C ATOM 438 CG1 VAL A 29 4.388 4.453 -9.040 1.00 0.00 C ATOM 439 CG2 VAL A 29 5.315 5.190 -11.245 1.00 0.00 C ATOM 0 H VAL A 29 5.240 2.790 -12.496 1.00 0.00 H new ATOM 0 HA VAL A 29 6.717 3.213 -10.104 1.00 0.00 H new ATOM 0 HB VAL A 29 3.810 3.664 -10.946 1.00 0.00 H new ATOM 0 HG11 VAL A 29 3.664 5.267 -9.074 1.00 0.00 H new ATOM 0 HG12 VAL A 29 3.965 3.613 -8.489 1.00 0.00 H new ATOM 0 HG13 VAL A 29 5.295 4.795 -8.541 1.00 0.00 H new ATOM 0 HG21 VAL A 29 4.597 6.010 -11.261 1.00 0.00 H new ATOM 0 HG22 VAL A 29 6.234 5.522 -10.762 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.534 4.879 -12.267 1.00 0.00 H new ATOM 449 N PHE A 30 4.104 1.221 -9.665 1.00 0.00 N ATOM 450 CA PHE A 30 3.633 0.210 -8.721 1.00 0.00 C ATOM 451 C PHE A 30 4.701 -0.893 -8.567 1.00 0.00 C ATOM 452 O PHE A 30 4.836 -1.499 -7.494 1.00 0.00 O ATOM 453 CB PHE A 30 2.328 -0.469 -9.173 1.00 0.00 C ATOM 454 CG PHE A 30 1.083 0.404 -9.121 1.00 0.00 C ATOM 455 CD1 PHE A 30 0.303 0.516 -7.951 1.00 0.00 C ATOM 456 CD2 PHE A 30 0.661 1.050 -10.300 1.00 0.00 C ATOM 457 CE1 PHE A 30 -0.887 1.264 -7.967 1.00 0.00 C ATOM 458 CE2 PHE A 30 -0.526 1.802 -10.312 1.00 0.00 C ATOM 459 CZ PHE A 30 -1.304 1.898 -9.146 1.00 0.00 C ATOM 0 H PHE A 30 3.465 1.445 -10.428 1.00 0.00 H new ATOM 0 HA PHE A 30 3.447 0.729 -7.781 1.00 0.00 H new ATOM 0 HB2 PHE A 30 2.459 -0.824 -10.195 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.161 -1.347 -8.549 1.00 0.00 H new ATOM 0 HD1 PHE A 30 0.620 0.027 -7.042 1.00 0.00 H new ATOM 0 HD2 PHE A 30 1.253 0.967 -11.199 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.481 1.351 -7.069 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -0.839 2.305 -11.215 1.00 0.00 H new ATOM 0 HZ PHE A 30 -2.225 2.461 -9.158 1.00 0.00 H new ATOM 469 N LYS A 31 5.480 -1.132 -9.631 1.00 0.00 N ATOM 470 CA LYS A 31 6.536 -2.148 -9.557 1.00 0.00 C ATOM 471 C LYS A 31 7.525 -1.767 -8.481 1.00 0.00 C ATOM 472 O LYS A 31 7.906 -2.573 -7.630 1.00 0.00 O ATOM 473 CB LYS A 31 7.253 -2.271 -10.911 1.00 0.00 C ATOM 474 CG LYS A 31 8.026 -3.618 -11.004 1.00 0.00 C ATOM 475 CD LYS A 31 7.646 -4.366 -12.291 1.00 0.00 C ATOM 476 CE LYS A 31 8.167 -5.806 -12.200 1.00 0.00 C ATOM 477 NZ LYS A 31 7.736 -6.573 -13.398 1.00 0.00 N ATOM 0 H LYS A 31 5.403 -0.651 -10.527 1.00 0.00 H new ATOM 0 HA LYS A 31 6.089 -3.112 -9.313 1.00 0.00 H new ATOM 0 HB2 LYS A 31 6.526 -2.207 -11.720 1.00 0.00 H new ATOM 0 HB3 LYS A 31 7.946 -1.439 -11.038 1.00 0.00 H new ATOM 0 HG2 LYS A 31 9.100 -3.430 -10.988 1.00 0.00 H new ATOM 0 HG3 LYS A 31 7.798 -4.236 -10.136 1.00 0.00 H new ATOM 0 HD2 LYS A 31 6.564 -4.364 -12.423 1.00 0.00 H new ATOM 0 HD3 LYS A 31 8.074 -3.864 -13.159 1.00 0.00 H new ATOM 0 HE2 LYS A 31 9.255 -5.805 -12.129 1.00 0.00 H new ATOM 0 HE3 LYS A 31 7.789 -6.283 -11.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 8.091 -7.548 -13.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 6.697 -6.585 -13.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 8.118 -6.123 -14.254 1.00 0.00 H new ATOM 491 N GLN A 32 7.934 -0.523 -8.553 1.00 0.00 N ATOM 492 CA GLN A 32 8.899 0.028 -7.612 1.00 0.00 C ATOM 493 C GLN A 32 8.544 -0.417 -6.183 1.00 0.00 C ATOM 494 O GLN A 32 9.417 -0.796 -5.402 1.00 0.00 O ATOM 495 CB GLN A 32 8.889 1.579 -7.732 1.00 0.00 C ATOM 496 CG GLN A 32 10.319 2.194 -7.606 1.00 0.00 C ATOM 497 CD GLN A 32 10.953 2.485 -8.980 1.00 0.00 C ATOM 498 OE1 GLN A 32 10.246 2.379 -10.085 1.00 0.00 O flip ATOM 499 NE2 GLN A 32 12.169 2.351 -9.019 1.00 0.00 N flip ATOM 0 H GLN A 32 7.613 0.139 -9.260 1.00 0.00 H new ATOM 0 HA GLN A 32 9.900 -0.338 -7.841 1.00 0.00 H new ATOM 0 HB2 GLN A 32 8.457 1.864 -8.691 1.00 0.00 H new ATOM 0 HB3 GLN A 32 8.247 1.997 -6.957 1.00 0.00 H new ATOM 0 HG2 GLN A 32 10.265 3.118 -7.030 1.00 0.00 H new ATOM 0 HG3 GLN A 32 10.959 1.509 -7.051 1.00 0.00 H new ATOM 0 HE21 GLN A 32 12.719 2.433 -8.164 1.00 0.00 H new ATOM 0 HE22 GLN A 32 12.633 2.158 -9.907 1.00 0.00 H new ATOM 508 N TYR A 33 7.261 -0.333 -5.845 1.00 0.00 N ATOM 509 CA TYR A 33 6.803 -0.685 -4.502 1.00 0.00 C ATOM 510 C TYR A 33 6.836 -2.199 -4.242 1.00 0.00 C ATOM 511 O TYR A 33 7.354 -2.650 -3.224 1.00 0.00 O ATOM 512 CB TYR A 33 5.334 -0.215 -4.324 1.00 0.00 C ATOM 513 CG TYR A 33 5.232 1.299 -4.252 1.00 0.00 C ATOM 514 CD1 TYR A 33 5.686 2.103 -5.317 1.00 0.00 C ATOM 515 CD2 TYR A 33 4.683 1.923 -3.110 1.00 0.00 C ATOM 516 CE1 TYR A 33 5.611 3.505 -5.244 1.00 0.00 C ATOM 517 CE2 TYR A 33 4.600 3.330 -3.040 1.00 0.00 C ATOM 518 CZ TYR A 33 5.061 4.118 -4.108 1.00 0.00 C ATOM 519 OH TYR A 33 4.975 5.488 -4.027 1.00 0.00 O ATOM 0 H TYR A 33 6.522 -0.026 -6.478 1.00 0.00 H new ATOM 0 HA TYR A 33 7.479 -0.196 -3.800 1.00 0.00 H new ATOM 0 HB2 TYR A 33 4.732 -0.581 -5.156 1.00 0.00 H new ATOM 0 HB3 TYR A 33 4.920 -0.651 -3.415 1.00 0.00 H new ATOM 0 HD1 TYR A 33 6.097 1.636 -6.200 1.00 0.00 H new ATOM 0 HD2 TYR A 33 4.325 1.321 -2.288 1.00 0.00 H new ATOM 0 HE1 TYR A 33 5.976 4.109 -6.061 1.00 0.00 H new ATOM 0 HE2 TYR A 33 4.181 3.802 -2.164 1.00 0.00 H new ATOM 0 HH TYR A 33 4.567 5.740 -3.172 1.00 0.00 H new ATOM 529 N PHE A 34 6.169 -2.951 -5.111 1.00 0.00 N ATOM 530 CA PHE A 34 6.019 -4.399 -4.872 1.00 0.00 C ATOM 531 C PHE A 34 7.075 -5.325 -5.469 1.00 0.00 C ATOM 532 O PHE A 34 6.729 -6.383 -6.000 1.00 0.00 O ATOM 533 CB PHE A 34 4.640 -4.863 -5.276 1.00 0.00 C ATOM 534 CG PHE A 34 3.620 -4.024 -4.544 1.00 0.00 C ATOM 535 CD1 PHE A 34 3.346 -4.327 -3.194 1.00 0.00 C ATOM 536 CD2 PHE A 34 2.926 -2.973 -5.174 1.00 0.00 C ATOM 537 CE1 PHE A 34 2.406 -3.568 -2.476 1.00 0.00 C ATOM 538 CE2 PHE A 34 1.986 -2.216 -4.454 1.00 0.00 C ATOM 539 CZ PHE A 34 1.729 -2.509 -3.103 1.00 0.00 C ATOM 0 H PHE A 34 5.732 -2.605 -5.965 1.00 0.00 H new ATOM 0 HA PHE A 34 6.176 -4.487 -3.797 1.00 0.00 H new ATOM 0 HB2 PHE A 34 4.508 -4.766 -6.354 1.00 0.00 H new ATOM 0 HB3 PHE A 34 4.508 -5.917 -5.033 1.00 0.00 H new ATOM 0 HD1 PHE A 34 3.860 -5.145 -2.711 1.00 0.00 H new ATOM 0 HD2 PHE A 34 3.117 -2.748 -6.213 1.00 0.00 H new ATOM 0 HE1 PHE A 34 2.204 -3.799 -1.441 1.00 0.00 H new ATOM 0 HE2 PHE A 34 1.460 -1.407 -4.939 1.00 0.00 H new ATOM 0 HZ PHE A 34 1.013 -1.921 -2.549 1.00 0.00 H new ATOM 549 N ASN A 35 8.357 -4.967 -5.359 1.00 0.00 N ATOM 550 CA ASN A 35 9.420 -5.813 -5.870 1.00 0.00 C ATOM 551 C ASN A 35 10.346 -6.246 -4.708 1.00 0.00 C ATOM 552 O ASN A 35 11.336 -6.927 -4.949 1.00 0.00 O ATOM 553 CB ASN A 35 10.144 -5.021 -7.000 1.00 0.00 C ATOM 554 CG ASN A 35 11.611 -4.776 -6.740 1.00 0.00 C ATOM 555 OD1 ASN A 35 11.921 -4.148 -5.735 1.00 0.00 O ATOM 556 ND2 ASN A 35 12.491 -4.993 -7.693 1.00 0.00 N ATOM 0 H ASN A 35 8.675 -4.102 -4.923 1.00 0.00 H new ATOM 0 HA ASN A 35 9.042 -6.740 -6.302 1.00 0.00 H new ATOM 0 HB2 ASN A 35 10.039 -5.568 -7.937 1.00 0.00 H new ATOM 0 HB3 ASN A 35 9.645 -4.061 -7.133 1.00 0.00 H new ATOM 0 HD21 ASN A 35 13.442 -4.637 -7.599 1.00 0.00 H new ATOM 0 HD22 ASN A 35 12.222 -5.517 -8.526 1.00 0.00 H new ATOM 563 N ASP A 36 10.027 -5.867 -3.434 1.00 0.00 N ATOM 564 CA ASP A 36 10.915 -6.274 -2.317 1.00 0.00 C ATOM 565 C ASP A 36 10.371 -6.230 -0.879 1.00 0.00 C ATOM 566 O ASP A 36 10.891 -6.928 -0.083 1.00 0.00 O ATOM 567 CB ASP A 36 12.113 -5.382 -2.376 1.00 0.00 C ATOM 568 CG ASP A 36 13.009 -5.389 -1.111 1.00 0.00 C ATOM 569 OD1 ASP A 36 12.597 -4.421 -0.429 1.00 0.00 O ATOM 570 OD2 ASP A 36 14.233 -5.581 -1.317 1.00 0.00 O ATOM 0 H ASP A 36 9.211 -5.314 -3.171 1.00 0.00 H new ATOM 0 HA ASP A 36 11.093 -7.336 -2.485 1.00 0.00 H new ATOM 0 HB2 ASP A 36 12.721 -5.674 -3.233 1.00 0.00 H new ATOM 0 HB3 ASP A 36 11.776 -4.361 -2.557 1.00 0.00 H new ATOM 575 N ASN A 37 9.315 -5.550 -0.589 1.00 0.00 N ATOM 576 CA ASN A 37 8.691 -5.567 0.767 1.00 0.00 C ATOM 577 C ASN A 37 8.429 -7.048 1.228 1.00 0.00 C ATOM 578 O ASN A 37 7.392 -7.377 1.807 1.00 0.00 O ATOM 579 CB ASN A 37 7.376 -4.779 0.676 1.00 0.00 C ATOM 580 CG ASN A 37 6.917 -4.792 -0.764 1.00 0.00 C ATOM 581 OD1 ASN A 37 6.609 -5.914 -1.141 1.00 0.00 O ATOM 582 ND2 ASN A 37 6.371 -3.760 -1.363 1.00 0.00 N ATOM 0 H ASN A 37 8.830 -4.954 -1.259 1.00 0.00 H new ATOM 0 HA ASN A 37 9.352 -5.111 1.504 1.00 0.00 H new ATOM 0 HB2 ASN A 37 6.619 -5.226 1.320 1.00 0.00 H new ATOM 0 HB3 ASN A 37 7.522 -3.755 1.019 1.00 0.00 H new ATOM 0 HD21 ASN A 37 5.707 -3.904 -2.124 1.00 0.00 H new ATOM 0 HD22 ASN A 37 6.611 -2.813 -1.068 1.00 0.00 H new ATOM 589 N GLY A 38 9.419 -7.900 0.961 1.00 0.00 N ATOM 590 CA GLY A 38 9.414 -9.334 1.294 1.00 0.00 C ATOM 591 C GLY A 38 8.269 -10.050 0.589 1.00 0.00 C ATOM 592 O GLY A 38 8.366 -11.234 0.258 1.00 0.00 O ATOM 0 H GLY A 38 10.276 -7.607 0.492 1.00 0.00 H new ATOM 0 HA2 GLY A 38 10.364 -9.783 1.003 1.00 0.00 H new ATOM 0 HA3 GLY A 38 9.319 -9.461 2.372 1.00 0.00 H new ATOM 596 N VAL A 39 7.192 -9.315 0.356 1.00 0.00 N ATOM 597 CA VAL A 39 6.030 -9.855 -0.317 1.00 0.00 C ATOM 598 C VAL A 39 6.424 -10.176 -1.753 1.00 0.00 C ATOM 599 O VAL A 39 6.020 -11.210 -2.290 1.00 0.00 O ATOM 600 CB VAL A 39 4.854 -8.833 -0.203 1.00 0.00 C ATOM 601 CG1 VAL A 39 4.490 -8.226 -1.566 1.00 0.00 C ATOM 602 CG2 VAL A 39 3.605 -9.502 0.382 1.00 0.00 C ATOM 0 H VAL A 39 7.103 -8.336 0.627 1.00 0.00 H new ATOM 0 HA VAL A 39 5.680 -10.780 0.141 1.00 0.00 H new ATOM 0 HB VAL A 39 5.196 -8.038 0.459 1.00 0.00 H new ATOM 0 HG11 VAL A 39 3.668 -7.521 -1.442 1.00 0.00 H new ATOM 0 HG12 VAL A 39 5.356 -7.706 -1.976 1.00 0.00 H new ATOM 0 HG13 VAL A 39 4.187 -9.020 -2.249 1.00 0.00 H new ATOM 0 HG21 VAL A 39 2.800 -8.771 0.452 1.00 0.00 H new ATOM 0 HG22 VAL A 39 3.295 -10.323 -0.265 1.00 0.00 H new ATOM 0 HG23 VAL A 39 3.831 -9.889 1.376 1.00 0.00 H new ATOM 612 N ASP A 40 7.242 -9.268 -2.340 1.00 0.00 N ATOM 613 CA ASP A 40 7.759 -9.409 -3.720 1.00 0.00 C ATOM 614 C ASP A 40 6.866 -10.347 -4.517 1.00 0.00 C ATOM 615 O ASP A 40 7.345 -11.239 -5.218 1.00 0.00 O ATOM 616 CB ASP A 40 9.189 -9.966 -3.696 1.00 0.00 C ATOM 617 CG ASP A 40 9.194 -11.395 -3.156 1.00 0.00 C ATOM 618 OD1 ASP A 40 8.093 -11.950 -2.917 1.00 0.00 O ATOM 619 OD2 ASP A 40 10.285 -12.004 -3.019 1.00 0.00 O ATOM 0 H ASP A 40 7.560 -8.420 -1.870 1.00 0.00 H new ATOM 0 HA ASP A 40 7.764 -8.426 -4.191 1.00 0.00 H new ATOM 0 HB2 ASP A 40 9.610 -9.949 -4.701 1.00 0.00 H new ATOM 0 HB3 ASP A 40 9.822 -9.333 -3.074 1.00 0.00 H new ATOM 624 N GLY A 41 5.566 -10.181 -4.305 1.00 0.00 N ATOM 625 CA GLY A 41 4.581 -11.055 -4.897 1.00 0.00 C ATOM 626 C GLY A 41 4.723 -11.223 -6.398 1.00 0.00 C ATOM 627 O GLY A 41 5.323 -10.392 -7.071 1.00 0.00 O ATOM 0 H GLY A 41 5.175 -9.441 -3.722 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.650 -12.035 -4.425 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.587 -10.665 -4.678 1.00 0.00 H new ATOM 631 N GLU A 42 4.129 -12.312 -6.916 1.00 0.00 N ATOM 632 CA GLU A 42 4.152 -12.584 -8.343 1.00 0.00 C ATOM 633 C GLU A 42 3.327 -11.528 -9.036 1.00 0.00 C ATOM 634 O GLU A 42 2.153 -11.327 -8.723 1.00 0.00 O ATOM 635 CB GLU A 42 3.563 -13.962 -8.653 1.00 0.00 C ATOM 636 CG GLU A 42 3.837 -14.324 -10.116 1.00 0.00 C ATOM 637 CD GLU A 42 5.260 -14.848 -10.283 1.00 0.00 C ATOM 638 OE1 GLU A 42 5.966 -15.027 -9.266 1.00 0.00 O ATOM 639 OE2 GLU A 42 5.637 -15.145 -11.439 1.00 0.00 O ATOM 0 H GLU A 42 3.632 -13.009 -6.361 1.00 0.00 H new ATOM 0 HA GLU A 42 5.185 -12.570 -8.692 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.001 -14.712 -7.995 1.00 0.00 H new ATOM 0 HB3 GLU A 42 2.490 -13.960 -8.464 1.00 0.00 H new ATOM 0 HG2 GLU A 42 3.125 -15.079 -10.449 1.00 0.00 H new ATOM 0 HG3 GLU A 42 3.690 -13.447 -10.747 1.00 0.00 H new ATOM 646 N TRP A 43 3.957 -10.836 -9.957 1.00 0.00 N ATOM 647 CA TRP A 43 3.304 -9.762 -10.682 1.00 0.00 C ATOM 648 C TRP A 43 2.530 -10.161 -11.895 1.00 0.00 C ATOM 649 O TRP A 43 2.983 -10.948 -12.726 1.00 0.00 O ATOM 650 CB TRP A 43 4.349 -8.726 -11.103 1.00 0.00 C ATOM 651 CG TRP A 43 4.295 -7.623 -10.187 1.00 0.00 C ATOM 652 CD1 TRP A 43 4.417 -7.695 -8.843 1.00 0.00 C ATOM 653 CD2 TRP A 43 4.125 -6.202 -10.491 1.00 0.00 C ATOM 654 NE1 TRP A 43 4.304 -6.434 -8.291 1.00 0.00 N ATOM 655 CE2 TRP A 43 4.108 -5.477 -9.259 1.00 0.00 C ATOM 656 CE3 TRP A 43 3.967 -5.450 -11.679 1.00 0.00 C ATOM 657 CZ2 TRP A 43 3.920 -4.090 -9.206 1.00 0.00 C ATOM 658 CZ3 TRP A 43 3.798 -4.052 -11.635 1.00 0.00 C ATOM 659 CH2 TRP A 43 3.768 -3.377 -10.404 1.00 0.00 C ATOM 0 H TRP A 43 4.928 -10.997 -10.226 1.00 0.00 H new ATOM 0 HA TRP A 43 2.570 -9.367 -9.980 1.00 0.00 H new ATOM 0 HB2 TRP A 43 5.344 -9.170 -11.102 1.00 0.00 H new ATOM 0 HB3 TRP A 43 4.154 -8.384 -12.119 1.00 0.00 H new ATOM 0 HD1 TRP A 43 4.579 -8.604 -8.283 1.00 0.00 H new ATOM 0 HE1 TRP A 43 4.359 -6.237 -7.292 1.00 0.00 H new ATOM 0 HE3 TRP A 43 3.976 -5.955 -12.634 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 3.892 -3.577 -8.256 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 3.691 -3.496 -12.554 1.00 0.00 H new ATOM 0 HH2 TRP A 43 3.628 -2.306 -10.380 1.00 0.00 H new ATOM 670 N THR A 44 1.442 -9.423 -12.084 1.00 0.00 N ATOM 671 CA THR A 44 0.699 -9.502 -13.316 1.00 0.00 C ATOM 672 C THR A 44 0.014 -8.153 -13.524 1.00 0.00 C ATOM 673 O THR A 44 -0.731 -7.713 -12.655 1.00 0.00 O ATOM 674 CB THR A 44 -0.342 -10.613 -13.282 1.00 0.00 C ATOM 675 OG1 THR A 44 0.195 -11.753 -12.627 1.00 0.00 O ATOM 676 CG2 THR A 44 -0.738 -10.971 -14.715 1.00 0.00 C ATOM 0 H THR A 44 1.064 -8.769 -11.398 1.00 0.00 H new ATOM 0 HA THR A 44 1.380 -9.733 -14.135 1.00 0.00 H new ATOM 0 HB THR A 44 -1.223 -10.276 -12.735 1.00 0.00 H new ATOM 0 HG1 THR A 44 -0.478 -12.465 -12.606 1.00 0.00 H new ATOM 0 HG21 THR A 44 -1.483 -11.766 -14.699 1.00 0.00 H new ATOM 0 HG22 THR A 44 -1.155 -10.093 -15.207 1.00 0.00 H new ATOM 0 HG23 THR A 44 0.142 -11.310 -15.262 1.00 0.00 H new ATOM 684 N TYR A 45 0.295 -7.499 -14.640 1.00 0.00 N ATOM 685 CA TYR A 45 -0.292 -6.172 -14.880 1.00 0.00 C ATOM 686 C TYR A 45 -0.883 -5.933 -16.257 1.00 0.00 C ATOM 687 O TYR A 45 -0.175 -5.808 -17.253 1.00 0.00 O ATOM 688 CB TYR A 45 0.766 -5.105 -14.592 1.00 0.00 C ATOM 689 CG TYR A 45 0.366 -3.775 -15.221 1.00 0.00 C ATOM 690 CD1 TYR A 45 -0.506 -2.908 -14.532 1.00 0.00 C ATOM 691 CD2 TYR A 45 0.855 -3.399 -16.484 1.00 0.00 C ATOM 692 CE1 TYR A 45 -0.900 -1.692 -15.120 1.00 0.00 C ATOM 693 CE2 TYR A 45 0.470 -2.179 -17.067 1.00 0.00 C ATOM 694 CZ TYR A 45 -0.416 -1.329 -16.387 1.00 0.00 C ATOM 695 OH TYR A 45 -0.804 -0.136 -16.963 1.00 0.00 O ATOM 0 H TYR A 45 0.906 -7.844 -15.380 1.00 0.00 H new ATOM 0 HA TYR A 45 -1.145 -6.114 -14.204 1.00 0.00 H new ATOM 0 HB2 TYR A 45 0.885 -4.984 -13.515 1.00 0.00 H new ATOM 0 HB3 TYR A 45 1.731 -5.425 -14.986 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -0.872 -3.177 -13.552 1.00 0.00 H new ATOM 0 HD2 TYR A 45 1.533 -4.054 -17.012 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -1.577 -1.035 -14.595 1.00 0.00 H new ATOM 0 HE2 TYR A 45 0.855 -1.897 -18.036 1.00 0.00 H new ATOM 0 HH TYR A 45 -1.763 0.001 -16.817 1.00 0.00 H new ATOM 705 N ASP A 46 -2.213 -5.838 -16.271 1.00 0.00 N ATOM 706 CA ASP A 46 -2.947 -5.575 -17.488 1.00 0.00 C ATOM 707 C ASP A 46 -3.059 -4.069 -17.725 1.00 0.00 C ATOM 708 O ASP A 46 -3.741 -3.357 -16.983 1.00 0.00 O ATOM 709 CB ASP A 46 -4.367 -6.166 -17.399 1.00 0.00 C ATOM 710 CG ASP A 46 -4.534 -7.098 -16.203 1.00 0.00 C ATOM 711 OD1 ASP A 46 -3.583 -7.831 -15.839 1.00 0.00 O ATOM 712 OD2 ASP A 46 -5.661 -7.141 -15.651 1.00 0.00 O ATOM 0 H ASP A 46 -2.798 -5.942 -15.442 1.00 0.00 H new ATOM 0 HA ASP A 46 -2.407 -6.040 -18.313 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -5.092 -5.355 -17.328 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -4.589 -6.712 -18.316 1.00 0.00 H new ATOM 717 N ASP A 47 -2.429 -3.604 -18.781 1.00 0.00 N ATOM 718 CA ASP A 47 -2.492 -2.202 -19.153 1.00 0.00 C ATOM 719 C ASP A 47 -3.899 -1.886 -19.653 1.00 0.00 C ATOM 720 O ASP A 47 -4.547 -0.943 -19.195 1.00 0.00 O ATOM 721 CB ASP A 47 -1.449 -2.022 -20.255 1.00 0.00 C ATOM 722 CG ASP A 47 -1.560 -0.715 -21.032 1.00 0.00 C ATOM 723 OD1 ASP A 47 -2.552 0.039 -20.907 1.00 0.00 O ATOM 724 OD2 ASP A 47 -0.641 -0.487 -21.854 1.00 0.00 O ATOM 0 H ASP A 47 -1.862 -4.179 -19.404 1.00 0.00 H new ATOM 0 HA ASP A 47 -2.286 -1.529 -18.321 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -0.456 -2.080 -19.809 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -1.533 -2.853 -20.955 1.00 0.00 H new ATOM 729 N ALA A 48 -4.323 -2.659 -20.646 1.00 0.00 N ATOM 730 CA ALA A 48 -5.621 -2.483 -21.315 1.00 0.00 C ATOM 731 C ALA A 48 -6.819 -2.787 -20.432 1.00 0.00 C ATOM 732 O ALA A 48 -7.953 -2.528 -20.829 1.00 0.00 O ATOM 733 CB ALA A 48 -5.689 -3.411 -22.534 1.00 0.00 C ATOM 0 H ALA A 48 -3.775 -3.435 -21.018 1.00 0.00 H new ATOM 0 HA ALA A 48 -5.677 -1.430 -21.590 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -6.649 -3.285 -23.034 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -4.884 -3.163 -23.226 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -5.582 -4.446 -22.210 1.00 0.00 H new ATOM 739 N THR A 49 -6.587 -3.310 -19.241 1.00 0.00 N ATOM 740 CA THR A 49 -7.686 -3.612 -18.327 1.00 0.00 C ATOM 741 C THR A 49 -7.376 -2.941 -17.015 1.00 0.00 C ATOM 742 O THR A 49 -7.996 -3.224 -15.991 1.00 0.00 O ATOM 743 CB THR A 49 -7.880 -5.130 -18.133 1.00 0.00 C ATOM 744 OG1 THR A 49 -7.289 -5.546 -16.910 1.00 0.00 O ATOM 745 CG2 THR A 49 -7.250 -5.901 -19.295 1.00 0.00 C ATOM 0 H THR A 49 -5.659 -3.534 -18.882 1.00 0.00 H new ATOM 0 HA THR A 49 -8.621 -3.239 -18.744 1.00 0.00 H new ATOM 0 HB THR A 49 -8.949 -5.340 -18.106 1.00 0.00 H new ATOM 0 HG1 THR A 49 -6.952 -6.461 -17.004 1.00 0.00 H new ATOM 0 HG21 THR A 49 -7.395 -6.971 -19.143 1.00 0.00 H new ATOM 0 HG22 THR A 49 -7.722 -5.600 -20.230 1.00 0.00 H new ATOM 0 HG23 THR A 49 -6.183 -5.683 -19.341 1.00 0.00 H new ATOM 753 N LYS A 50 -6.415 -2.014 -17.069 1.00 0.00 N ATOM 754 CA LYS A 50 -5.994 -1.253 -15.911 1.00 0.00 C ATOM 755 C LYS A 50 -6.043 -2.111 -14.674 1.00 0.00 C ATOM 756 O LYS A 50 -6.941 -1.973 -13.843 1.00 0.00 O ATOM 757 CB LYS A 50 -6.837 0.047 -15.739 1.00 0.00 C ATOM 758 CG LYS A 50 -8.176 -0.001 -16.508 1.00 0.00 C ATOM 759 CD LYS A 50 -7.950 0.138 -18.035 1.00 0.00 C ATOM 760 CE LYS A 50 -9.179 0.773 -18.708 1.00 0.00 C ATOM 761 NZ LYS A 50 -10.286 -0.224 -18.763 1.00 0.00 N ATOM 0 H LYS A 50 -5.912 -1.777 -17.924 1.00 0.00 H new ATOM 0 HA LYS A 50 -4.962 -0.941 -16.069 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -7.037 0.207 -14.680 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -6.255 0.901 -16.086 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -8.686 -0.941 -16.297 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -8.828 0.800 -16.160 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -7.068 0.750 -18.223 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -7.756 -0.842 -18.470 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -9.497 1.655 -18.151 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -8.925 1.106 -19.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -11.117 0.205 -19.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -9.980 -1.053 -19.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -10.534 -0.521 -17.798 1.00 0.00 H new ATOM 775 N THR A 51 -5.037 -2.965 -14.512 1.00 0.00 N ATOM 776 CA THR A 51 -4.992 -3.776 -13.296 1.00 0.00 C ATOM 777 C THR A 51 -3.588 -4.342 -12.980 1.00 0.00 C ATOM 778 O THR A 51 -2.775 -4.530 -13.876 1.00 0.00 O ATOM 779 CB THR A 51 -6.038 -4.884 -13.384 1.00 0.00 C ATOM 780 OG1 THR A 51 -7.118 -4.444 -14.192 1.00 0.00 O ATOM 781 CG2 THR A 51 -6.566 -5.235 -11.979 1.00 0.00 C ATOM 0 H THR A 51 -4.274 -3.112 -15.172 1.00 0.00 H new ATOM 0 HA THR A 51 -5.227 -3.119 -12.459 1.00 0.00 H new ATOM 0 HB THR A 51 -5.579 -5.770 -13.822 1.00 0.00 H new ATOM 0 HG1 THR A 51 -7.015 -4.801 -15.099 1.00 0.00 H new ATOM 0 HG21 THR A 51 -7.311 -6.027 -12.058 1.00 0.00 H new ATOM 0 HG22 THR A 51 -5.740 -5.575 -11.354 1.00 0.00 H new ATOM 0 HG23 THR A 51 -7.021 -4.352 -11.530 1.00 0.00 H new ATOM 789 N PHE A 52 -3.369 -4.671 -11.691 1.00 0.00 N ATOM 790 CA PHE A 52 -2.119 -5.301 -11.213 1.00 0.00 C ATOM 791 C PHE A 52 -2.492 -6.412 -10.273 1.00 0.00 C ATOM 792 O PHE A 52 -3.489 -6.307 -9.568 1.00 0.00 O ATOM 793 CB PHE A 52 -1.144 -4.407 -10.421 1.00 0.00 C ATOM 794 CG PHE A 52 -0.950 -3.084 -11.065 1.00 0.00 C ATOM 795 CD1 PHE A 52 -2.062 -2.244 -11.262 1.00 0.00 C ATOM 796 CD2 PHE A 52 0.333 -2.647 -11.446 1.00 0.00 C ATOM 797 CE1 PHE A 52 -1.894 -0.971 -11.838 1.00 0.00 C ATOM 798 CE2 PHE A 52 0.499 -1.379 -12.030 1.00 0.00 C ATOM 799 CZ PHE A 52 -0.614 -0.545 -12.231 1.00 0.00 C ATOM 0 H PHE A 52 -4.052 -4.508 -10.952 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.603 -5.599 -12.126 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -1.524 -4.265 -9.409 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.182 -4.911 -10.332 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -3.047 -2.577 -10.970 1.00 0.00 H new ATOM 0 HD2 PHE A 52 1.190 -3.286 -11.290 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -2.747 -0.323 -11.978 1.00 0.00 H new ATOM 0 HE2 PHE A 52 1.483 -1.045 -12.325 1.00 0.00 H new ATOM 0 HZ PHE A 52 -0.485 0.425 -12.688 1.00 0.00 H new ATOM 809 N THR A 53 -1.653 -7.429 -10.194 1.00 0.00 N ATOM 810 CA THR A 53 -1.886 -8.505 -9.246 1.00 0.00 C ATOM 811 C THR A 53 -0.583 -8.831 -8.537 1.00 0.00 C ATOM 812 O THR A 53 0.340 -9.393 -9.128 1.00 0.00 O ATOM 813 CB THR A 53 -2.421 -9.748 -9.966 1.00 0.00 C ATOM 814 OG1 THR A 53 -3.393 -9.351 -10.924 1.00 0.00 O ATOM 815 CG2 THR A 53 -3.070 -10.694 -8.951 1.00 0.00 C ATOM 0 H THR A 53 -0.815 -7.533 -10.766 1.00 0.00 H new ATOM 0 HA THR A 53 -2.631 -8.188 -8.516 1.00 0.00 H new ATOM 0 HB THR A 53 -1.598 -10.261 -10.463 1.00 0.00 H new ATOM 0 HG1 THR A 53 -3.737 -10.143 -11.388 1.00 0.00 H new ATOM 0 HG21 THR A 53 -3.449 -11.576 -9.467 1.00 0.00 H new ATOM 0 HG22 THR A 53 -2.330 -10.997 -8.210 1.00 0.00 H new ATOM 0 HG23 THR A 53 -3.894 -10.183 -8.453 1.00 0.00 H new ATOM 823 N VAL A 54 -0.523 -8.495 -7.253 1.00 0.00 N ATOM 824 CA VAL A 54 0.668 -8.789 -6.457 1.00 0.00 C ATOM 825 C VAL A 54 0.372 -10.083 -5.743 1.00 0.00 C ATOM 826 O VAL A 54 -0.633 -10.178 -5.074 1.00 0.00 O ATOM 827 CB VAL A 54 0.939 -7.662 -5.463 1.00 0.00 C ATOM 828 CG1 VAL A 54 2.064 -8.058 -4.505 1.00 0.00 C ATOM 829 CG2 VAL A 54 1.340 -6.405 -6.236 1.00 0.00 C ATOM 0 H VAL A 54 -1.272 -8.025 -6.745 1.00 0.00 H new ATOM 0 HA VAL A 54 1.560 -8.875 -7.078 1.00 0.00 H new ATOM 0 HB VAL A 54 0.038 -7.470 -4.880 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.246 -7.245 -3.802 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.776 -8.955 -3.956 1.00 0.00 H new ATOM 0 HG13 VAL A 54 2.973 -8.257 -5.073 1.00 0.00 H new ATOM 0 HG21 VAL A 54 1.536 -5.594 -5.535 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.239 -6.607 -6.818 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.531 -6.117 -6.907 1.00 0.00 H new ATOM 839 N THR A 55 1.280 -11.044 -5.805 1.00 0.00 N ATOM 840 CA THR A 55 1.027 -12.302 -5.085 1.00 0.00 C ATOM 841 C THR A 55 2.251 -12.847 -4.378 1.00 0.00 C ATOM 842 O THR A 55 3.135 -13.433 -4.998 1.00 0.00 O ATOM 843 CB THR A 55 0.460 -13.334 -6.074 1.00 0.00 C ATOM 844 OG1 THR A 55 -0.299 -12.660 -7.068 1.00 0.00 O ATOM 845 CG2 THR A 55 -0.451 -14.320 -5.337 1.00 0.00 C ATOM 0 H THR A 55 2.161 -10.994 -6.317 1.00 0.00 H new ATOM 0 HA THR A 55 0.303 -12.094 -4.297 1.00 0.00 H new ATOM 0 HB THR A 55 1.285 -13.878 -6.535 1.00 0.00 H new ATOM 0 HG1 THR A 55 -1.040 -12.179 -6.644 1.00 0.00 H new ATOM 0 HG21 THR A 55 -0.848 -15.047 -6.045 1.00 0.00 H new ATOM 0 HG22 THR A 55 0.121 -14.838 -4.567 1.00 0.00 H new ATOM 0 HG23 THR A 55 -1.275 -13.777 -4.874 1.00 0.00 H new ATOM 853 N GLU A 56 2.248 -12.633 -3.059 1.00 0.00 N ATOM 854 CA GLU A 56 3.339 -13.059 -2.162 1.00 0.00 C ATOM 855 C GLU A 56 4.304 -14.022 -2.858 1.00 0.00 C ATOM 856 O GLU A 56 3.846 -15.040 -3.348 1.00 0.00 O ATOM 857 CB GLU A 56 2.782 -13.719 -0.886 1.00 0.00 C ATOM 858 CG GLU A 56 3.780 -13.521 0.268 1.00 0.00 C ATOM 859 CD GLU A 56 5.116 -14.139 -0.130 1.00 0.00 C ATOM 860 OE1 GLU A 56 5.110 -15.323 -0.534 1.00 0.00 O ATOM 861 OE2 GLU A 56 6.126 -13.405 -0.187 1.00 0.00 O ATOM 862 OXT GLU A 56 5.483 -13.713 -2.903 1.00 0.00 O ATOM 0 H GLU A 56 1.486 -12.157 -2.576 1.00 0.00 H new ATOM 0 HA GLU A 56 3.890 -12.159 -1.887 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.818 -13.281 -0.627 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.613 -14.782 -1.057 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.904 -12.460 0.483 1.00 0.00 H new ATOM 0 HG3 GLU A 56 3.403 -13.989 1.178 1.00 0.00 H new ATOM 870 N MET B 1 -5.033 -7.119 19.122 1.00 0.00 N ATOM 871 CA MET B 1 -6.211 -7.453 18.267 1.00 0.00 C ATOM 872 C MET B 1 -5.979 -6.915 16.865 1.00 0.00 C ATOM 873 O MET B 1 -4.851 -6.642 16.475 1.00 0.00 O ATOM 874 CB MET B 1 -7.485 -6.848 18.894 1.00 0.00 C ATOM 875 CG MET B 1 -7.683 -5.362 18.515 1.00 0.00 C ATOM 876 SD MET B 1 -6.098 -4.484 18.466 1.00 0.00 S ATOM 877 CE MET B 1 -5.914 -4.260 20.252 1.00 0.00 C ATOM 0 H1 MET B 1 -5.297 -7.202 20.125 1.00 0.00 H new ATOM 0 H2 MET B 1 -4.255 -7.777 18.913 1.00 0.00 H new ATOM 0 H3 MET B 1 -4.726 -6.145 18.924 1.00 0.00 H new ATOM 0 HA MET B 1 -6.340 -8.533 18.205 1.00 0.00 H new ATOM 0 HB2 MET B 1 -8.353 -7.421 18.569 1.00 0.00 H new ATOM 0 HB3 MET B 1 -7.431 -6.939 19.979 1.00 0.00 H new ATOM 0 HG2 MET B 1 -8.170 -5.293 17.542 1.00 0.00 H new ATOM 0 HG3 MET B 1 -8.345 -4.884 19.238 1.00 0.00 H new ATOM 0 HE1 MET B 1 -5.338 -3.355 20.448 1.00 0.00 H new ATOM 0 HE2 MET B 1 -6.899 -4.170 20.711 1.00 0.00 H new ATOM 0 HE3 MET B 1 -5.394 -5.120 20.675 1.00 0.00 H new ATOM 889 N GLN B 2 -7.044 -6.770 16.108 1.00 0.00 N ATOM 890 CA GLN B 2 -6.915 -6.261 14.770 1.00 0.00 C ATOM 891 C GLN B 2 -6.541 -4.792 14.853 1.00 0.00 C ATOM 892 O GLN B 2 -7.199 -4.017 15.536 1.00 0.00 O ATOM 893 CB GLN B 2 -8.243 -6.415 14.022 1.00 0.00 C ATOM 894 CG GLN B 2 -8.012 -6.220 12.527 1.00 0.00 C ATOM 895 CD GLN B 2 -7.222 -7.399 11.993 1.00 0.00 C ATOM 896 OE1 GLN B 2 -6.102 -7.190 11.342 1.00 0.00 O flip ATOM 897 NE2 GLN B 2 -7.611 -8.541 12.208 1.00 0.00 N flip ATOM 0 H GLN B 2 -7.996 -6.996 16.396 1.00 0.00 H new ATOM 0 HA GLN B 2 -6.147 -6.816 14.232 1.00 0.00 H new ATOM 0 HB2 GLN B 2 -8.666 -7.402 14.210 1.00 0.00 H new ATOM 0 HB3 GLN B 2 -8.965 -5.685 14.387 1.00 0.00 H new ATOM 0 HG2 GLN B 2 -8.966 -6.139 12.006 1.00 0.00 H new ATOM 0 HG3 GLN B 2 -7.470 -5.291 12.347 1.00 0.00 H new ATOM 0 HE21 GLN B 2 -8.483 -8.696 12.715 1.00 0.00 H new ATOM 0 HE22 GLN B 2 -7.063 -9.337 11.880 1.00 0.00 H new ATOM 906 N TYR B 3 -5.504 -4.414 14.124 1.00 0.00 N ATOM 907 CA TYR B 3 -5.052 -3.028 14.075 1.00 0.00 C ATOM 908 C TYR B 3 -5.363 -2.564 12.660 1.00 0.00 C ATOM 909 O TYR B 3 -5.355 -3.405 11.763 1.00 0.00 O ATOM 910 CB TYR B 3 -3.546 -2.984 14.418 1.00 0.00 C ATOM 911 CG TYR B 3 -3.354 -3.452 15.839 1.00 0.00 C ATOM 912 CD1 TYR B 3 -3.528 -2.540 16.898 1.00 0.00 C ATOM 913 CD2 TYR B 3 -3.055 -4.799 16.125 1.00 0.00 C ATOM 914 CE1 TYR B 3 -3.419 -2.982 18.230 1.00 0.00 C ATOM 915 CE2 TYR B 3 -2.951 -5.240 17.457 1.00 0.00 C ATOM 916 CZ TYR B 3 -3.142 -4.329 18.509 1.00 0.00 C ATOM 917 OH TYR B 3 -3.034 -4.760 19.813 1.00 0.00 O ATOM 0 H TYR B 3 -4.953 -5.053 13.551 1.00 0.00 H new ATOM 0 HA TYR B 3 -5.542 -2.371 14.794 1.00 0.00 H new ATOM 0 HB2 TYR B 3 -2.985 -3.619 13.733 1.00 0.00 H new ATOM 0 HB3 TYR B 3 -3.162 -1.971 14.300 1.00 0.00 H new ATOM 0 HD1 TYR B 3 -3.745 -1.503 16.688 1.00 0.00 H new ATOM 0 HD2 TYR B 3 -2.905 -5.498 15.316 1.00 0.00 H new ATOM 0 HE1 TYR B 3 -3.549 -2.281 19.041 1.00 0.00 H new ATOM 0 HE2 TYR B 3 -2.725 -6.275 17.670 1.00 0.00 H new ATOM 0 HH TYR B 3 -2.840 -5.721 19.825 1.00 0.00 H new ATOM 927 N LYS B 4 -5.651 -1.276 12.391 1.00 0.00 N ATOM 928 CA LYS B 4 -5.968 -0.857 11.014 1.00 0.00 C ATOM 929 C LYS B 4 -5.245 0.446 10.726 1.00 0.00 C ATOM 930 O LYS B 4 -5.368 1.392 11.491 1.00 0.00 O ATOM 931 CB LYS B 4 -7.490 -0.626 10.899 1.00 0.00 C ATOM 932 CG LYS B 4 -7.818 0.225 9.655 1.00 0.00 C ATOM 933 CD LYS B 4 -9.328 0.300 9.425 1.00 0.00 C ATOM 934 CE LYS B 4 -10.001 1.155 10.497 1.00 0.00 C ATOM 935 NZ LYS B 4 -11.436 1.345 10.138 1.00 0.00 N ATOM 0 H LYS B 4 -5.671 -0.529 13.085 1.00 0.00 H new ATOM 0 HA LYS B 4 -5.656 -1.623 10.305 1.00 0.00 H new ATOM 0 HB2 LYS B 4 -8.005 -1.585 10.836 1.00 0.00 H new ATOM 0 HB3 LYS B 4 -7.856 -0.125 11.795 1.00 0.00 H new ATOM 0 HG2 LYS B 4 -7.415 1.230 9.781 1.00 0.00 H new ATOM 0 HG3 LYS B 4 -7.334 -0.205 8.778 1.00 0.00 H new ATOM 0 HD2 LYS B 4 -9.529 0.720 8.440 1.00 0.00 H new ATOM 0 HD3 LYS B 4 -9.752 -0.704 9.436 1.00 0.00 H new ATOM 0 HE2 LYS B 4 -9.917 0.672 11.471 1.00 0.00 H new ATOM 0 HE3 LYS B 4 -9.502 2.121 10.576 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 -11.901 1.927 10.864 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 -11.503 1.822 9.216 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 -11.906 0.419 10.083 1.00 0.00 H new ATOM 949 N LEU B 5 -4.530 0.516 9.605 1.00 0.00 N ATOM 950 CA LEU B 5 -3.794 1.737 9.247 1.00 0.00 C ATOM 951 C LEU B 5 -4.541 2.652 8.296 1.00 0.00 C ATOM 952 O LEU B 5 -5.041 2.217 7.260 1.00 0.00 O ATOM 953 CB LEU B 5 -2.450 1.366 8.616 1.00 0.00 C ATOM 954 CG LEU B 5 -1.650 2.649 8.215 1.00 0.00 C ATOM 955 CD1 LEU B 5 -0.256 2.640 8.856 1.00 0.00 C ATOM 956 CD2 LEU B 5 -1.500 2.721 6.688 1.00 0.00 C ATOM 0 H LEU B 5 -4.442 -0.246 8.933 1.00 0.00 H new ATOM 0 HA LEU B 5 -3.659 2.287 10.179 1.00 0.00 H new ATOM 0 HB2 LEU B 5 -1.865 0.772 9.319 1.00 0.00 H new ATOM 0 HB3 LEU B 5 -2.616 0.746 7.735 1.00 0.00 H new ATOM 0 HG LEU B 5 -2.202 3.518 8.572 1.00 0.00 H new ATOM 0 HD11 LEU B 5 0.284 3.541 8.565 1.00 0.00 H new ATOM 0 HD12 LEU B 5 -0.355 2.611 9.941 1.00 0.00 H new ATOM 0 HD13 LEU B 5 0.294 1.762 8.518 1.00 0.00 H new ATOM 0 HD21 LEU B 5 -0.942 3.618 6.419 1.00 0.00 H new ATOM 0 HD22 LEU B 5 -0.965 1.840 6.333 1.00 0.00 H new ATOM 0 HD23 LEU B 5 -2.487 2.756 6.227 1.00 0.00 H new ATOM 968 N ILE B 6 -4.543 3.946 8.663 1.00 0.00 N ATOM 969 CA ILE B 6 -5.162 4.998 7.858 1.00 0.00 C ATOM 970 C ILE B 6 -4.064 5.760 7.155 1.00 0.00 C ATOM 971 O ILE B 6 -3.071 6.153 7.776 1.00 0.00 O ATOM 972 CB ILE B 6 -5.940 5.971 8.729 1.00 0.00 C ATOM 973 CG1 ILE B 6 -6.888 5.166 9.605 1.00 0.00 C ATOM 974 CG2 ILE B 6 -6.720 6.933 7.827 1.00 0.00 C ATOM 975 CD1 ILE B 6 -7.641 6.091 10.560 1.00 0.00 C ATOM 0 H ILE B 6 -4.115 4.285 9.525 1.00 0.00 H new ATOM 0 HA ILE B 6 -5.851 4.539 7.148 1.00 0.00 H new ATOM 0 HB ILE B 6 -5.271 6.555 9.361 1.00 0.00 H new ATOM 0 HG12 ILE B 6 -7.597 4.621 8.981 1.00 0.00 H new ATOM 0 HG13 ILE B 6 -6.327 4.424 10.173 1.00 0.00 H new ATOM 0 HG21 ILE B 6 -7.282 7.635 8.443 1.00 0.00 H new ATOM 0 HG22 ILE B 6 -6.024 7.483 7.193 1.00 0.00 H new ATOM 0 HG23 ILE B 6 -7.410 6.367 7.202 1.00 0.00 H new ATOM 0 HD11 ILE B 6 -8.316 5.502 11.181 1.00 0.00 H new ATOM 0 HD12 ILE B 6 -6.928 6.616 11.196 1.00 0.00 H new ATOM 0 HD13 ILE B 6 -8.217 6.816 9.985 1.00 0.00 H new ATOM 987 N LEU B 7 -4.217 5.932 5.855 1.00 0.00 N ATOM 988 CA LEU B 7 -3.214 6.595 5.053 1.00 0.00 C ATOM 989 C LEU B 7 -3.674 7.981 4.606 1.00 0.00 C ATOM 990 O LEU B 7 -4.652 8.110 3.875 1.00 0.00 O ATOM 991 CB LEU B 7 -2.982 5.711 3.830 1.00 0.00 C ATOM 992 CG LEU B 7 -1.760 6.153 3.030 1.00 0.00 C ATOM 993 CD1 LEU B 7 -0.476 6.010 3.868 1.00 0.00 C ATOM 994 CD2 LEU B 7 -1.672 5.261 1.791 1.00 0.00 C ATOM 0 H LEU B 7 -5.034 5.618 5.332 1.00 0.00 H new ATOM 0 HA LEU B 7 -2.303 6.736 5.635 1.00 0.00 H new ATOM 0 HB2 LEU B 7 -2.852 4.677 4.149 1.00 0.00 H new ATOM 0 HB3 LEU B 7 -3.864 5.738 3.190 1.00 0.00 H new ATOM 0 HG LEU B 7 -1.858 7.202 2.750 1.00 0.00 H new ATOM 0 HD11 LEU B 7 0.382 6.331 3.277 1.00 0.00 H new ATOM 0 HD12 LEU B 7 -0.554 6.630 4.761 1.00 0.00 H new ATOM 0 HD13 LEU B 7 -0.346 4.968 4.160 1.00 0.00 H new ATOM 0 HD21 LEU B 7 -0.807 5.551 1.195 1.00 0.00 H new ATOM 0 HD22 LEU B 7 -1.569 4.220 2.098 1.00 0.00 H new ATOM 0 HD23 LEU B 7 -2.578 5.375 1.195 1.00 0.00 H new ATOM 1006 N ASN B 8 -2.890 9.004 4.967 1.00 0.00 N ATOM 1007 CA ASN B 8 -3.160 10.362 4.491 1.00 0.00 C ATOM 1008 C ASN B 8 -1.907 10.827 3.748 1.00 0.00 C ATOM 1009 O ASN B 8 -0.868 11.084 4.355 1.00 0.00 O ATOM 1010 CB ASN B 8 -3.579 11.389 5.601 1.00 0.00 C ATOM 1011 CG ASN B 8 -3.407 10.916 7.048 1.00 0.00 C ATOM 1012 OD1 ASN B 8 -3.148 11.760 7.897 1.00 0.00 O ATOM 1013 ND2 ASN B 8 -3.426 9.634 7.331 1.00 0.00 N ATOM 0 H ASN B 8 -2.077 8.919 5.577 1.00 0.00 H new ATOM 0 HA ASN B 8 -4.035 10.325 3.842 1.00 0.00 H new ATOM 0 HB2 ASN B 8 -2.996 12.300 5.465 1.00 0.00 H new ATOM 0 HB3 ASN B 8 -4.625 11.654 5.448 1.00 0.00 H new ATOM 0 HD21 ASN B 8 -3.222 9.318 8.279 1.00 0.00 H new ATOM 0 HD22 ASN B 8 -3.645 8.954 6.603 1.00 0.00 H new ATOM 1020 N GLY B 9 -2.007 10.905 2.422 1.00 0.00 N ATOM 1021 CA GLY B 9 -0.872 11.311 1.600 1.00 0.00 C ATOM 1022 C GLY B 9 -1.339 11.861 0.265 1.00 0.00 C ATOM 1023 O GLY B 9 -2.374 11.461 -0.244 1.00 0.00 O ATOM 0 H GLY B 9 -2.856 10.694 1.898 1.00 0.00 H new ATOM 0 HA2 GLY B 9 -0.289 12.068 2.126 1.00 0.00 H new ATOM 0 HA3 GLY B 9 -0.213 10.458 1.436 1.00 0.00 H new ATOM 1027 N LYS B 10 -0.572 12.781 -0.298 1.00 0.00 N ATOM 1028 CA LYS B 10 -0.926 13.375 -1.574 1.00 0.00 C ATOM 1029 C LYS B 10 -0.719 12.358 -2.694 1.00 0.00 C ATOM 1030 O LYS B 10 -1.509 12.274 -3.635 1.00 0.00 O ATOM 1031 CB LYS B 10 -0.058 14.615 -1.823 1.00 0.00 C ATOM 1032 CG LYS B 10 0.012 15.489 -0.555 1.00 0.00 C ATOM 1033 CD LYS B 10 -1.381 16.004 -0.164 1.00 0.00 C ATOM 1034 CE LYS B 10 -1.253 16.942 1.040 1.00 0.00 C ATOM 1035 NZ LYS B 10 -2.610 17.389 1.470 1.00 0.00 N ATOM 0 H LYS B 10 0.296 13.131 0.108 1.00 0.00 H new ATOM 0 HA LYS B 10 -1.975 13.671 -1.556 1.00 0.00 H new ATOM 0 HB2 LYS B 10 0.946 14.310 -2.117 1.00 0.00 H new ATOM 0 HB3 LYS B 10 -0.470 15.195 -2.649 1.00 0.00 H new ATOM 0 HG2 LYS B 10 0.434 14.910 0.267 1.00 0.00 H new ATOM 0 HG3 LYS B 10 0.681 16.333 -0.727 1.00 0.00 H new ATOM 0 HD2 LYS B 10 -1.836 16.530 -1.003 1.00 0.00 H new ATOM 0 HD3 LYS B 10 -2.036 15.167 0.080 1.00 0.00 H new ATOM 0 HE2 LYS B 10 -0.750 16.431 1.861 1.00 0.00 H new ATOM 0 HE3 LYS B 10 -0.640 17.805 0.779 1.00 0.00 H new ATOM 0 HZ1 LYS B 10 -2.523 18.026 2.288 1.00 0.00 H new ATOM 0 HZ2 LYS B 10 -3.074 17.892 0.687 1.00 0.00 H new ATOM 0 HZ3 LYS B 10 -3.180 16.561 1.736 1.00 0.00 H new ATOM 1049 N THR B 11 0.376 11.603 -2.589 1.00 0.00 N ATOM 1050 CA THR B 11 0.732 10.599 -3.592 1.00 0.00 C ATOM 1051 C THR B 11 0.185 9.216 -3.233 1.00 0.00 C ATOM 1052 O THR B 11 0.262 8.283 -4.028 1.00 0.00 O ATOM 1053 CB THR B 11 2.263 10.525 -3.680 1.00 0.00 C ATOM 1054 OG1 THR B 11 2.806 11.816 -3.461 1.00 0.00 O ATOM 1055 CG2 THR B 11 2.692 10.032 -5.055 1.00 0.00 C ATOM 0 H THR B 11 1.035 11.669 -1.814 1.00 0.00 H new ATOM 0 HA THR B 11 0.294 10.893 -4.546 1.00 0.00 H new ATOM 0 HB THR B 11 2.627 9.830 -2.923 1.00 0.00 H new ATOM 0 HG1 THR B 11 3.784 11.773 -3.515 1.00 0.00 H new ATOM 0 HG21 THR B 11 3.780 9.985 -5.102 1.00 0.00 H new ATOM 0 HG22 THR B 11 2.278 9.039 -5.231 1.00 0.00 H new ATOM 0 HG23 THR B 11 2.326 10.718 -5.818 1.00 0.00 H new ATOM 1063 N LEU B 12 -0.362 9.089 -2.033 1.00 0.00 N ATOM 1064 CA LEU B 12 -0.903 7.808 -1.591 1.00 0.00 C ATOM 1065 C LEU B 12 -2.054 8.044 -0.607 1.00 0.00 C ATOM 1066 O LEU B 12 -1.967 8.910 0.267 1.00 0.00 O ATOM 1067 CB LEU B 12 0.240 6.969 -0.967 1.00 0.00 C ATOM 1068 CG LEU B 12 0.077 5.460 -1.306 1.00 0.00 C ATOM 1069 CD1 LEU B 12 0.445 5.202 -2.787 1.00 0.00 C ATOM 1070 CD2 LEU B 12 0.979 4.581 -0.387 1.00 0.00 C ATOM 0 H LEU B 12 -0.444 9.846 -1.354 1.00 0.00 H new ATOM 0 HA LEU B 12 -1.310 7.250 -2.435 1.00 0.00 H new ATOM 0 HB2 LEU B 12 1.201 7.326 -1.337 1.00 0.00 H new ATOM 0 HB3 LEU B 12 0.245 7.103 0.115 1.00 0.00 H new ATOM 0 HG LEU B 12 -0.965 5.189 -1.137 1.00 0.00 H new ATOM 0 HD11 LEU B 12 0.327 4.142 -3.012 1.00 0.00 H new ATOM 0 HD12 LEU B 12 -0.212 5.785 -3.432 1.00 0.00 H new ATOM 0 HD13 LEU B 12 1.480 5.497 -2.961 1.00 0.00 H new ATOM 0 HD21 LEU B 12 0.846 3.530 -0.645 1.00 0.00 H new ATOM 0 HD22 LEU B 12 2.023 4.860 -0.528 1.00 0.00 H new ATOM 0 HD23 LEU B 12 0.699 4.737 0.655 1.00 0.00 H new ATOM 1082 N LYS B 13 -3.110 7.230 -0.730 1.00 0.00 N ATOM 1083 CA LYS B 13 -4.267 7.293 0.166 1.00 0.00 C ATOM 1084 C LYS B 13 -4.881 5.895 0.246 1.00 0.00 C ATOM 1085 O LYS B 13 -4.855 5.160 -0.742 1.00 0.00 O ATOM 1086 CB LYS B 13 -5.316 8.301 -0.331 1.00 0.00 C ATOM 1087 CG LYS B 13 -4.758 9.717 -0.185 1.00 0.00 C ATOM 1088 CD LYS B 13 -5.785 10.760 -0.641 1.00 0.00 C ATOM 1089 CE LYS B 13 -5.140 12.144 -0.630 1.00 0.00 C ATOM 1090 NZ LYS B 13 -4.677 12.479 0.745 1.00 0.00 N ATOM 0 H LYS B 13 -3.185 6.513 -1.451 1.00 0.00 H new ATOM 0 HA LYS B 13 -3.939 7.629 1.150 1.00 0.00 H new ATOM 0 HB2 LYS B 13 -5.566 8.101 -1.373 1.00 0.00 H new ATOM 0 HB3 LYS B 13 -6.237 8.199 0.243 1.00 0.00 H new ATOM 0 HG2 LYS B 13 -4.486 9.899 0.855 1.00 0.00 H new ATOM 0 HG3 LYS B 13 -3.847 9.816 -0.775 1.00 0.00 H new ATOM 0 HD2 LYS B 13 -6.142 10.521 -1.643 1.00 0.00 H new ATOM 0 HD3 LYS B 13 -6.652 10.745 0.019 1.00 0.00 H new ATOM 0 HE2 LYS B 13 -4.298 12.167 -1.322 1.00 0.00 H new ATOM 0 HE3 LYS B 13 -5.856 12.891 -0.974 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 -4.719 13.509 0.884 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 -5.290 12.010 1.442 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 -3.698 12.153 0.871 1.00 0.00 H new ATOM 1104 N GLY B 14 -5.432 5.516 1.401 1.00 0.00 N ATOM 1105 CA GLY B 14 -6.040 4.185 1.530 1.00 0.00 C ATOM 1106 C GLY B 14 -5.979 3.662 2.962 1.00 0.00 C ATOM 1107 O GLY B 14 -5.512 4.349 3.869 1.00 0.00 O ATOM 0 H GLY B 14 -5.472 6.092 2.242 1.00 0.00 H new ATOM 0 HA2 GLY B 14 -7.079 4.229 1.205 1.00 0.00 H new ATOM 0 HA3 GLY B 14 -5.528 3.487 0.868 1.00 0.00 H new ATOM 1111 N GLU B 15 -6.471 2.431 3.169 1.00 0.00 N ATOM 1112 CA GLU B 15 -6.472 1.828 4.506 1.00 0.00 C ATOM 1113 C GLU B 15 -6.053 0.356 4.441 1.00 0.00 C ATOM 1114 O GLU B 15 -6.669 -0.440 3.737 1.00 0.00 O ATOM 1115 CB GLU B 15 -7.872 1.887 5.134 1.00 0.00 C ATOM 1116 CG GLU B 15 -8.451 3.306 5.063 1.00 0.00 C ATOM 1117 CD GLU B 15 -9.958 3.245 5.293 1.00 0.00 C ATOM 1118 OE1 GLU B 15 -10.378 2.993 6.444 1.00 0.00 O ATOM 1119 OE2 GLU B 15 -10.713 3.369 4.302 1.00 0.00 O ATOM 0 H GLU B 15 -6.868 1.842 2.437 1.00 0.00 H new ATOM 0 HA GLU B 15 -5.765 2.395 5.111 1.00 0.00 H new ATOM 0 HB2 GLU B 15 -8.535 1.194 4.616 1.00 0.00 H new ATOM 0 HB3 GLU B 15 -7.821 1.563 6.174 1.00 0.00 H new ATOM 0 HG2 GLU B 15 -7.982 3.941 5.814 1.00 0.00 H new ATOM 0 HG3 GLU B 15 -8.237 3.751 4.091 1.00 0.00 H new ATOM 1126 N THR B 16 -5.016 -0.002 5.198 1.00 0.00 N ATOM 1127 CA THR B 16 -4.536 -1.395 5.234 1.00 0.00 C ATOM 1128 C THR B 16 -4.965 -1.999 6.567 1.00 0.00 C ATOM 1129 O THR B 16 -5.353 -1.249 7.464 1.00 0.00 O ATOM 1130 CB THR B 16 -3.015 -1.422 5.053 1.00 0.00 C ATOM 1131 OG1 THR B 16 -2.392 -0.836 6.175 1.00 0.00 O ATOM 1132 CG2 THR B 16 -2.654 -0.623 3.800 1.00 0.00 C ATOM 0 H THR B 16 -4.492 0.642 5.791 1.00 0.00 H new ATOM 0 HA THR B 16 -4.964 -1.984 4.423 1.00 0.00 H new ATOM 0 HB THR B 16 -2.675 -2.453 4.951 1.00 0.00 H new ATOM 0 HG1 THR B 16 -1.419 -0.856 6.057 1.00 0.00 H new ATOM 0 HG21 THR B 16 -1.573 -0.635 3.660 1.00 0.00 H new ATOM 0 HG22 THR B 16 -3.137 -1.070 2.931 1.00 0.00 H new ATOM 0 HG23 THR B 16 -2.994 0.406 3.914 1.00 0.00 H new ATOM 1140 N THR B 17 -4.907 -3.329 6.760 1.00 0.00 N ATOM 1141 CA THR B 17 -5.313 -3.901 8.045 1.00 0.00 C ATOM 1142 C THR B 17 -4.544 -5.204 8.317 1.00 0.00 C ATOM 1143 O THR B 17 -4.465 -6.079 7.454 1.00 0.00 O ATOM 1144 CB THR B 17 -6.829 -4.171 8.036 1.00 0.00 C ATOM 1145 OG1 THR B 17 -7.501 -3.055 7.470 1.00 0.00 O ATOM 1146 CG2 THR B 17 -7.341 -4.392 9.462 1.00 0.00 C ATOM 0 H THR B 17 -4.593 -4.005 6.064 1.00 0.00 H new ATOM 0 HA THR B 17 -5.081 -3.191 8.839 1.00 0.00 H new ATOM 0 HB THR B 17 -7.023 -5.066 7.445 1.00 0.00 H new ATOM 0 HG1 THR B 17 -8.466 -3.224 7.461 1.00 0.00 H new ATOM 0 HG21 THR B 17 -8.414 -4.581 9.438 1.00 0.00 H new ATOM 0 HG22 THR B 17 -6.831 -5.248 9.903 1.00 0.00 H new ATOM 0 HG23 THR B 17 -7.143 -3.504 10.062 1.00 0.00 H new ATOM 1154 N THR B 18 -3.976 -5.315 9.515 1.00 0.00 N ATOM 1155 CA THR B 18 -3.213 -6.515 9.903 1.00 0.00 C ATOM 1156 C THR B 18 -3.461 -6.839 11.366 1.00 0.00 C ATOM 1157 O THR B 18 -3.800 -5.948 12.154 1.00 0.00 O ATOM 1158 CB THR B 18 -1.690 -6.302 9.680 1.00 0.00 C ATOM 1159 OG1 THR B 18 -1.062 -7.573 9.584 1.00 0.00 O ATOM 1160 CG2 THR B 18 -1.047 -5.512 10.848 1.00 0.00 C ATOM 0 H THR B 18 -4.025 -4.596 10.237 1.00 0.00 H new ATOM 0 HA THR B 18 -3.549 -7.343 9.279 1.00 0.00 H new ATOM 0 HB THR B 18 -1.554 -5.726 8.765 1.00 0.00 H new ATOM 0 HG1 THR B 18 -0.100 -7.453 9.441 1.00 0.00 H new ATOM 0 HG21 THR B 18 0.018 -5.383 10.657 1.00 0.00 H new ATOM 0 HG22 THR B 18 -1.522 -4.535 10.931 1.00 0.00 H new ATOM 0 HG23 THR B 18 -1.184 -6.063 11.779 1.00 0.00 H new ATOM 1168 N GLU B 19 -3.233 -8.087 11.768 1.00 0.00 N ATOM 1169 CA GLU B 19 -3.368 -8.486 13.151 1.00 0.00 C ATOM 1170 C GLU B 19 -1.986 -9.002 13.535 1.00 0.00 C ATOM 1171 O GLU B 19 -1.447 -9.878 12.860 1.00 0.00 O ATOM 1172 CB GLU B 19 -4.406 -9.605 13.256 1.00 0.00 C ATOM 1173 CG GLU B 19 -4.589 -10.041 14.710 1.00 0.00 C ATOM 1174 CD GLU B 19 -5.548 -11.224 14.745 1.00 0.00 C ATOM 1175 OE1 GLU B 19 -5.063 -12.340 14.456 1.00 0.00 O ATOM 1176 OE2 GLU B 19 -6.772 -11.035 14.922 1.00 0.00 O ATOM 0 H GLU B 19 -2.951 -8.841 11.141 1.00 0.00 H new ATOM 0 HA GLU B 19 -3.696 -7.675 13.801 1.00 0.00 H new ATOM 0 HB2 GLU B 19 -5.359 -9.263 12.852 1.00 0.00 H new ATOM 0 HB3 GLU B 19 -4.091 -10.457 12.653 1.00 0.00 H new ATOM 0 HG2 GLU B 19 -3.629 -10.319 15.145 1.00 0.00 H new ATOM 0 HG3 GLU B 19 -4.982 -9.217 15.305 1.00 0.00 H new ATOM 1183 N ALA B 20 -1.380 -8.415 14.550 1.00 0.00 N ATOM 1184 CA ALA B 20 -0.010 -8.781 14.928 1.00 0.00 C ATOM 1185 C ALA B 20 -0.012 -9.542 16.226 1.00 0.00 C ATOM 1186 O ALA B 20 -1.073 -9.766 16.812 1.00 0.00 O ATOM 1187 CB ALA B 20 0.836 -7.515 15.080 1.00 0.00 C ATOM 0 H ALA B 20 -1.802 -7.689 15.128 1.00 0.00 H new ATOM 0 HA ALA B 20 0.413 -9.414 14.148 1.00 0.00 H new ATOM 0 HB1 ALA B 20 1.853 -7.789 15.361 1.00 0.00 H new ATOM 0 HB2 ALA B 20 0.854 -6.974 14.134 1.00 0.00 H new ATOM 0 HB3 ALA B 20 0.405 -6.880 15.854 1.00 0.00 H new ATOM 1193 N VAL B 21 1.167 -9.934 16.697 1.00 0.00 N ATOM 1194 CA VAL B 21 1.196 -10.645 17.949 1.00 0.00 C ATOM 1195 C VAL B 21 0.593 -9.726 18.997 1.00 0.00 C ATOM 1196 O VAL B 21 -0.205 -10.170 19.822 1.00 0.00 O ATOM 1197 CB VAL B 21 2.609 -11.117 18.328 1.00 0.00 C ATOM 1198 CG1 VAL B 21 3.557 -9.935 18.436 1.00 0.00 C ATOM 1199 CG2 VAL B 21 2.552 -11.855 19.666 1.00 0.00 C ATOM 0 H VAL B 21 2.070 -9.777 16.249 1.00 0.00 H new ATOM 0 HA VAL B 21 0.614 -11.563 17.871 1.00 0.00 H new ATOM 0 HB VAL B 21 2.978 -11.786 17.551 1.00 0.00 H new ATOM 0 HG11 VAL B 21 4.552 -10.290 18.705 1.00 0.00 H new ATOM 0 HG12 VAL B 21 3.603 -9.417 17.478 1.00 0.00 H new ATOM 0 HG13 VAL B 21 3.197 -9.249 19.203 1.00 0.00 H new ATOM 0 HG21 VAL B 21 3.552 -12.192 19.939 1.00 0.00 H new ATOM 0 HG22 VAL B 21 2.173 -11.183 20.436 1.00 0.00 H new ATOM 0 HG23 VAL B 21 1.890 -12.717 19.578 1.00 0.00 H new ATOM 1209 N ASP B 22 0.907 -8.422 18.931 1.00 0.00 N ATOM 1210 CA ASP B 22 0.324 -7.464 19.845 1.00 0.00 C ATOM 1211 C ASP B 22 0.549 -6.037 19.317 1.00 0.00 C ATOM 1212 O ASP B 22 1.274 -5.811 18.347 1.00 0.00 O ATOM 1213 CB ASP B 22 0.925 -7.581 21.240 1.00 0.00 C ATOM 1214 CG ASP B 22 0.315 -6.514 22.143 1.00 0.00 C ATOM 1215 OD1 ASP B 22 -0.735 -6.776 22.778 1.00 0.00 O ATOM 1216 OD2 ASP B 22 0.887 -5.400 22.209 1.00 0.00 O ATOM 0 H ASP B 22 1.558 -8.023 18.255 1.00 0.00 H new ATOM 0 HA ASP B 22 -0.743 -7.677 19.912 1.00 0.00 H new ATOM 0 HB2 ASP B 22 0.733 -8.573 21.649 1.00 0.00 H new ATOM 0 HB3 ASP B 22 2.007 -7.459 21.194 1.00 0.00 H new ATOM 1221 N ALA B 23 -0.127 -5.107 19.956 1.00 0.00 N ATOM 1222 CA ALA B 23 -0.068 -3.697 19.555 1.00 0.00 C ATOM 1223 C ALA B 23 1.380 -3.258 19.333 1.00 0.00 C ATOM 1224 O ALA B 23 1.684 -2.562 18.363 1.00 0.00 O ATOM 1225 CB ALA B 23 -0.680 -2.810 20.635 1.00 0.00 C ATOM 0 H ALA B 23 -0.729 -5.291 20.759 1.00 0.00 H new ATOM 0 HA ALA B 23 -0.629 -3.594 18.626 1.00 0.00 H new ATOM 0 HB1 ALA B 23 -0.628 -1.767 20.322 1.00 0.00 H new ATOM 0 HB2 ALA B 23 -1.722 -3.091 20.790 1.00 0.00 H new ATOM 0 HB3 ALA B 23 -0.128 -2.937 21.566 1.00 0.00 H new ATOM 1231 N ALA B 24 2.260 -3.650 20.245 1.00 0.00 N ATOM 1232 CA ALA B 24 3.666 -3.285 20.169 1.00 0.00 C ATOM 1233 C ALA B 24 4.307 -3.792 18.881 1.00 0.00 C ATOM 1234 O ALA B 24 5.271 -3.209 18.390 1.00 0.00 O ATOM 1235 CB ALA B 24 4.420 -3.850 21.369 1.00 0.00 C ATOM 0 H ALA B 24 2.021 -4.226 21.052 1.00 0.00 H new ATOM 0 HA ALA B 24 3.726 -2.197 20.175 1.00 0.00 H new ATOM 0 HB1 ALA B 24 5.472 -3.571 21.302 1.00 0.00 H new ATOM 0 HB2 ALA B 24 3.995 -3.447 22.288 1.00 0.00 H new ATOM 0 HB3 ALA B 24 4.333 -4.936 21.375 1.00 0.00 H new ATOM 1241 N THR B 25 3.752 -4.862 18.320 1.00 0.00 N ATOM 1242 CA THR B 25 4.286 -5.405 17.067 1.00 0.00 C ATOM 1243 C THR B 25 3.675 -4.693 15.872 1.00 0.00 C ATOM 1244 O THR B 25 4.389 -4.197 15.008 1.00 0.00 O ATOM 1245 CB THR B 25 4.034 -6.904 16.960 1.00 0.00 C ATOM 1246 OG1 THR B 25 4.663 -7.544 18.060 1.00 0.00 O ATOM 1247 CG2 THR B 25 4.633 -7.419 15.641 1.00 0.00 C ATOM 0 H THR B 25 2.950 -5.364 18.700 1.00 0.00 H new ATOM 0 HA THR B 25 5.363 -5.238 17.070 1.00 0.00 H new ATOM 0 HB THR B 25 2.965 -7.116 16.974 1.00 0.00 H new ATOM 0 HG1 THR B 25 5.371 -8.137 17.732 1.00 0.00 H new ATOM 0 HG21 THR B 25 4.457 -8.491 15.556 1.00 0.00 H new ATOM 0 HG22 THR B 25 4.161 -6.906 14.803 1.00 0.00 H new ATOM 0 HG23 THR B 25 5.705 -7.225 15.628 1.00 0.00 H new ATOM 1255 N ALA B 26 2.354 -4.626 15.837 1.00 0.00 N ATOM 1256 CA ALA B 26 1.671 -3.956 14.739 1.00 0.00 C ATOM 1257 C ALA B 26 2.214 -2.529 14.589 1.00 0.00 C ATOM 1258 O ALA B 26 2.625 -2.102 13.513 1.00 0.00 O ATOM 1259 CB ALA B 26 0.159 -3.932 15.030 1.00 0.00 C ATOM 0 H ALA B 26 1.738 -5.022 16.547 1.00 0.00 H new ATOM 0 HA ALA B 26 1.846 -4.492 13.806 1.00 0.00 H new ATOM 0 HB1 ALA B 26 -0.361 -3.432 14.213 1.00 0.00 H new ATOM 0 HB2 ALA B 26 -0.210 -4.953 15.124 1.00 0.00 H new ATOM 0 HB3 ALA B 26 -0.024 -3.394 15.960 1.00 0.00 H new ATOM 1265 N GLU B 27 2.275 -1.840 15.708 1.00 0.00 N ATOM 1266 CA GLU B 27 2.820 -0.485 15.698 1.00 0.00 C ATOM 1267 C GLU B 27 4.211 -0.517 15.096 1.00 0.00 C ATOM 1268 O GLU B 27 4.503 0.219 14.148 1.00 0.00 O ATOM 1269 CB GLU B 27 2.775 0.185 17.069 1.00 0.00 C ATOM 1270 CG GLU B 27 3.814 -0.374 18.028 1.00 0.00 C ATOM 1271 CD GLU B 27 3.534 0.222 19.408 1.00 0.00 C ATOM 1272 OE1 GLU B 27 2.358 0.565 19.658 1.00 0.00 O ATOM 1273 OE2 GLU B 27 4.486 0.413 20.196 1.00 0.00 O ATOM 0 H GLU B 27 1.964 -2.178 16.619 1.00 0.00 H new ATOM 0 HA GLU B 27 2.186 0.143 15.072 1.00 0.00 H new ATOM 0 HB2 GLU B 27 2.935 1.257 16.951 1.00 0.00 H new ATOM 0 HB3 GLU B 27 1.782 0.056 17.500 1.00 0.00 H new ATOM 0 HG2 GLU B 27 3.758 -1.462 18.062 1.00 0.00 H new ATOM 0 HG3 GLU B 27 4.820 -0.117 17.696 1.00 0.00 H new ATOM 1280 N LYS B 28 5.047 -1.404 15.602 1.00 0.00 N ATOM 1281 CA LYS B 28 6.398 -1.543 15.066 1.00 0.00 C ATOM 1282 C LYS B 28 6.385 -1.880 13.567 1.00 0.00 C ATOM 1283 O LYS B 28 7.165 -1.317 12.800 1.00 0.00 O ATOM 1284 CB LYS B 28 7.144 -2.654 15.817 1.00 0.00 C ATOM 1285 CG LYS B 28 8.651 -2.520 15.578 1.00 0.00 C ATOM 1286 CD LYS B 28 9.410 -3.549 16.426 1.00 0.00 C ATOM 1287 CE LYS B 28 9.176 -4.964 15.878 1.00 0.00 C ATOM 1288 NZ LYS B 28 10.214 -5.887 16.419 1.00 0.00 N ATOM 0 H LYS B 28 4.824 -2.034 16.373 1.00 0.00 H new ATOM 0 HA LYS B 28 6.903 -0.586 15.200 1.00 0.00 H new ATOM 0 HB2 LYS B 28 6.929 -2.592 16.884 1.00 0.00 H new ATOM 0 HB3 LYS B 28 6.798 -3.630 15.478 1.00 0.00 H new ATOM 0 HG2 LYS B 28 8.875 -2.671 14.522 1.00 0.00 H new ATOM 0 HG3 LYS B 28 8.980 -1.513 15.833 1.00 0.00 H new ATOM 0 HD2 LYS B 28 10.476 -3.321 16.420 1.00 0.00 H new ATOM 0 HD3 LYS B 28 9.078 -3.493 17.463 1.00 0.00 H new ATOM 0 HE2 LYS B 28 8.182 -5.314 16.158 1.00 0.00 H new ATOM 0 HE3 LYS B 28 9.215 -4.954 14.789 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 10.054 -6.845 16.047 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 11.157 -5.556 16.131 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 10.156 -5.905 17.457 1.00 0.00 H new ATOM 1302 N VAL B 29 5.531 -2.822 13.152 1.00 0.00 N ATOM 1303 CA VAL B 29 5.489 -3.236 11.747 1.00 0.00 C ATOM 1304 C VAL B 29 5.041 -2.103 10.819 1.00 0.00 C ATOM 1305 O VAL B 29 5.794 -1.697 9.934 1.00 0.00 O ATOM 1306 CB VAL B 29 4.530 -4.421 11.622 1.00 0.00 C ATOM 1307 CG1 VAL B 29 4.282 -4.763 10.148 1.00 0.00 C ATOM 1308 CG2 VAL B 29 5.138 -5.632 12.336 1.00 0.00 C ATOM 0 H VAL B 29 4.869 -3.305 13.759 1.00 0.00 H new ATOM 0 HA VAL B 29 6.497 -3.516 11.440 1.00 0.00 H new ATOM 0 HB VAL B 29 3.576 -4.157 12.079 1.00 0.00 H new ATOM 0 HG11 VAL B 29 3.597 -5.608 10.081 1.00 0.00 H new ATOM 0 HG12 VAL B 29 3.845 -3.901 9.643 1.00 0.00 H new ATOM 0 HG13 VAL B 29 5.227 -5.023 9.671 1.00 0.00 H new ATOM 0 HG21 VAL B 29 4.461 -6.482 12.252 1.00 0.00 H new ATOM 0 HG22 VAL B 29 6.094 -5.883 11.877 1.00 0.00 H new ATOM 0 HG23 VAL B 29 5.293 -5.394 13.388 1.00 0.00 H new ATOM 1318 N PHE B 30 3.820 -1.607 10.989 1.00 0.00 N ATOM 1319 CA PHE B 30 3.355 -0.554 10.092 1.00 0.00 C ATOM 1320 C PHE B 30 4.385 0.594 10.070 1.00 0.00 C ATOM 1321 O PHE B 30 4.559 1.268 9.043 1.00 0.00 O ATOM 1322 CB PHE B 30 2.003 0.034 10.519 1.00 0.00 C ATOM 1323 CG PHE B 30 0.803 -0.884 10.343 1.00 0.00 C ATOM 1324 CD1 PHE B 30 0.072 -0.929 9.136 1.00 0.00 C ATOM 1325 CD2 PHE B 30 0.355 -1.632 11.449 1.00 0.00 C ATOM 1326 CE1 PHE B 30 -1.090 -1.716 9.038 1.00 0.00 C ATOM 1327 CE2 PHE B 30 -0.810 -2.415 11.352 1.00 0.00 C ATOM 1328 CZ PHE B 30 -1.537 -2.448 10.149 1.00 0.00 C ATOM 0 H PHE B 30 3.158 -1.901 11.707 1.00 0.00 H new ATOM 0 HA PHE B 30 3.237 -1.008 9.108 1.00 0.00 H new ATOM 0 HB2 PHE B 30 2.067 0.322 11.568 1.00 0.00 H new ATOM 0 HB3 PHE B 30 1.827 0.946 9.949 1.00 0.00 H new ATOM 0 HD1 PHE B 30 0.407 -0.356 8.284 1.00 0.00 H new ATOM 0 HD2 PHE B 30 0.908 -1.604 12.376 1.00 0.00 H new ATOM 0 HE1 PHE B 30 -1.638 -1.757 8.108 1.00 0.00 H new ATOM 0 HE2 PHE B 30 -1.146 -2.991 12.202 1.00 0.00 H new ATOM 0 HZ PHE B 30 -2.440 -3.037 10.080 1.00 0.00 H new ATOM 1338 N LYS B 31 5.074 0.818 11.201 1.00 0.00 N ATOM 1339 CA LYS B 31 6.073 1.891 11.253 1.00 0.00 C ATOM 1340 C LYS B 31 7.116 1.642 10.196 1.00 0.00 C ATOM 1341 O LYS B 31 7.489 2.523 9.420 1.00 0.00 O ATOM 1342 CB LYS B 31 6.730 1.928 12.648 1.00 0.00 C ATOM 1343 CG LYS B 31 7.435 3.294 12.892 1.00 0.00 C ATOM 1344 CD LYS B 31 6.956 3.921 14.210 1.00 0.00 C ATOM 1345 CE LYS B 31 7.414 5.382 14.258 1.00 0.00 C ATOM 1346 NZ LYS B 31 6.888 6.030 15.488 1.00 0.00 N ATOM 0 H LYS B 31 4.962 0.288 12.065 1.00 0.00 H new ATOM 0 HA LYS B 31 5.591 2.851 11.069 1.00 0.00 H new ATOM 0 HB2 LYS B 31 5.974 1.762 13.415 1.00 0.00 H new ATOM 0 HB3 LYS B 31 7.455 1.119 12.735 1.00 0.00 H new ATOM 0 HG2 LYS B 31 8.515 3.152 12.922 1.00 0.00 H new ATOM 0 HG3 LYS B 31 7.225 3.971 12.064 1.00 0.00 H new ATOM 0 HD2 LYS B 31 5.870 3.864 14.282 1.00 0.00 H new ATOM 0 HD3 LYS B 31 7.361 3.370 15.059 1.00 0.00 H new ATOM 0 HE2 LYS B 31 8.503 5.433 14.245 1.00 0.00 H new ATOM 0 HE3 LYS B 31 7.060 5.914 13.375 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 7.200 7.022 15.519 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 5.849 5.994 15.482 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 7.247 5.528 16.325 1.00 0.00 H new ATOM 1360 N GLN B 32 7.598 0.437 10.229 1.00 0.00 N ATOM 1361 CA GLN B 32 8.646 0.028 9.322 1.00 0.00 C ATOM 1362 C GLN B 32 8.348 0.521 7.895 1.00 0.00 C ATOM 1363 O GLN B 32 9.246 0.970 7.185 1.00 0.00 O ATOM 1364 CB GLN B 32 8.785 -1.501 9.354 1.00 0.00 C ATOM 1365 CG GLN B 32 10.287 -1.927 9.297 1.00 0.00 C ATOM 1366 CD GLN B 32 10.763 -2.613 10.589 1.00 0.00 C ATOM 1367 OE1 GLN B 32 9.970 -2.705 11.636 1.00 0.00 O flip ATOM 1368 NE2 GLN B 32 11.583 -3.489 10.346 1.00 0.00 N flip ATOM 0 H GLN B 32 7.286 -0.289 10.874 1.00 0.00 H new ATOM 0 HA GLN B 32 9.588 0.474 9.639 1.00 0.00 H new ATOM 0 HB2 GLN B 32 8.326 -1.893 10.262 1.00 0.00 H new ATOM 0 HB3 GLN B 32 8.247 -1.936 8.512 1.00 0.00 H new ATOM 0 HG2 GLN B 32 10.436 -2.604 8.456 1.00 0.00 H new ATOM 0 HG3 GLN B 32 10.902 -1.047 9.111 1.00 0.00 H new ATOM 0 HE21 GLN B 32 12.192 -3.406 9.532 1.00 0.00 H new ATOM 0 HE22 GLN B 32 11.657 -4.302 10.958 1.00 0.00 H new ATOM 1377 N TYR B 33 7.088 0.415 7.483 1.00 0.00 N ATOM 1378 CA TYR B 33 6.699 0.830 6.138 1.00 0.00 C ATOM 1379 C TYR B 33 6.645 2.357 5.985 1.00 0.00 C ATOM 1380 O TYR B 33 7.205 2.901 5.037 1.00 0.00 O ATOM 1381 CB TYR B 33 5.292 0.299 5.809 1.00 0.00 C ATOM 1382 CG TYR B 33 5.278 -1.208 5.624 1.00 0.00 C ATOM 1383 CD1 TYR B 33 5.663 -2.055 6.684 1.00 0.00 C ATOM 1384 CD2 TYR B 33 4.789 -1.784 4.433 1.00 0.00 C ATOM 1385 CE1 TYR B 33 5.594 -3.454 6.543 1.00 0.00 C ATOM 1386 CE2 TYR B 33 4.721 -3.185 4.294 1.00 0.00 C ATOM 1387 CZ TYR B 33 5.129 -4.020 5.347 1.00 0.00 C ATOM 1388 OH TYR B 33 5.054 -5.392 5.203 1.00 0.00 O ATOM 0 H TYR B 33 6.326 0.049 8.054 1.00 0.00 H new ATOM 0 HA TYR B 33 7.455 0.425 5.465 1.00 0.00 H new ATOM 0 HB2 TYR B 33 4.606 0.572 6.611 1.00 0.00 H new ATOM 0 HB3 TYR B 33 4.927 0.779 4.901 1.00 0.00 H new ATOM 0 HD1 TYR B 33 6.014 -1.627 7.611 1.00 0.00 H new ATOM 0 HD2 TYR B 33 4.465 -1.148 3.623 1.00 0.00 H new ATOM 0 HE1 TYR B 33 5.900 -4.093 7.358 1.00 0.00 H new ATOM 0 HE2 TYR B 33 4.354 -3.618 3.375 1.00 0.00 H new ATOM 0 HH TYR B 33 4.709 -5.609 4.312 1.00 0.00 H new ATOM 1398 N PHE B 34 5.886 3.030 6.867 1.00 0.00 N ATOM 1399 CA PHE B 34 5.688 4.496 6.714 1.00 0.00 C ATOM 1400 C PHE B 34 6.697 5.401 7.427 1.00 0.00 C ATOM 1401 O PHE B 34 6.302 6.428 7.982 1.00 0.00 O ATOM 1402 CB PHE B 34 4.252 4.914 7.078 1.00 0.00 C ATOM 1403 CG PHE B 34 3.300 4.080 6.242 1.00 0.00 C ATOM 1404 CD1 PHE B 34 3.148 4.341 4.864 1.00 0.00 C ATOM 1405 CD2 PHE B 34 2.665 2.960 6.813 1.00 0.00 C ATOM 1406 CE1 PHE B 34 2.377 3.482 4.062 1.00 0.00 C ATOM 1407 CE2 PHE B 34 1.896 2.100 6.008 1.00 0.00 C ATOM 1408 CZ PHE B 34 1.752 2.361 4.633 1.00 0.00 C ATOM 0 H PHE B 34 5.413 2.610 7.667 1.00 0.00 H new ATOM 0 HA PHE B 34 5.874 4.659 5.652 1.00 0.00 H new ATOM 0 HB2 PHE B 34 4.066 4.756 8.140 1.00 0.00 H new ATOM 0 HB3 PHE B 34 4.102 5.976 6.882 1.00 0.00 H new ATOM 0 HD1 PHE B 34 3.626 5.204 4.424 1.00 0.00 H new ATOM 0 HD2 PHE B 34 2.769 2.761 7.870 1.00 0.00 H new ATOM 0 HE1 PHE B 34 2.265 3.684 3.007 1.00 0.00 H new ATOM 0 HE2 PHE B 34 1.415 1.238 6.446 1.00 0.00 H new ATOM 0 HZ PHE B 34 1.161 1.700 4.017 1.00 0.00 H new ATOM 1418 N ASN B 35 7.998 5.057 7.410 1.00 0.00 N ATOM 1419 CA ASN B 35 9.015 5.891 8.045 1.00 0.00 C ATOM 1420 C ASN B 35 9.923 6.512 6.981 1.00 0.00 C ATOM 1421 O ASN B 35 10.723 7.398 7.275 1.00 0.00 O ATOM 1422 CB ASN B 35 9.774 4.991 9.054 1.00 0.00 C ATOM 1423 CG ASN B 35 11.305 5.130 9.038 1.00 0.00 C ATOM 1424 OD1 ASN B 35 11.850 5.850 8.208 1.00 0.00 O ATOM 1425 ND2 ASN B 35 11.904 4.807 10.164 1.00 0.00 N ATOM 0 H ASN B 35 8.360 4.213 6.966 1.00 0.00 H new ATOM 0 HA ASN B 35 8.579 6.732 8.585 1.00 0.00 H new ATOM 0 HB2 ASN B 35 9.416 5.218 10.058 1.00 0.00 H new ATOM 0 HB3 ASN B 35 9.518 3.951 8.851 1.00 0.00 H new ATOM 0 HD21 ASN B 35 12.841 5.157 10.362 1.00 0.00 H new ATOM 0 HD22 ASN B 35 11.431 4.207 10.839 1.00 0.00 H new ATOM 1432 N ASP B 36 9.770 6.058 5.748 1.00 0.00 N ATOM 1433 CA ASP B 36 10.533 6.549 4.620 1.00 0.00 C ATOM 1434 C ASP B 36 9.511 6.664 3.461 1.00 0.00 C ATOM 1435 O ASP B 36 8.700 7.539 3.539 1.00 0.00 O ATOM 1436 CB ASP B 36 11.756 5.603 4.429 1.00 0.00 C ATOM 1437 CG ASP B 36 12.750 6.249 3.482 1.00 0.00 C ATOM 1438 OD1 ASP B 36 12.488 6.152 2.262 1.00 0.00 O ATOM 1439 OD2 ASP B 36 13.354 7.232 3.974 1.00 0.00 O ATOM 0 H ASP B 36 9.102 5.327 5.502 1.00 0.00 H new ATOM 0 HA ASP B 36 10.987 7.535 4.723 1.00 0.00 H new ATOM 0 HB2 ASP B 36 12.229 5.404 5.390 1.00 0.00 H new ATOM 0 HB3 ASP B 36 11.428 4.643 4.030 1.00 0.00 H new ATOM 1444 N ASN B 37 9.577 6.001 2.335 1.00 0.00 N ATOM 1445 CA ASN B 37 8.616 6.247 1.227 1.00 0.00 C ATOM 1446 C ASN B 37 8.389 7.727 0.955 1.00 0.00 C ATOM 1447 O ASN B 37 7.415 8.092 0.295 1.00 0.00 O ATOM 1448 CB ASN B 37 7.242 5.506 1.389 1.00 0.00 C ATOM 1449 CG ASN B 37 7.273 4.650 2.621 1.00 0.00 C ATOM 1450 OD1 ASN B 37 8.206 3.856 2.578 1.00 0.00 O ATOM 1451 ND2 ASN B 37 6.237 4.431 3.402 1.00 0.00 N ATOM 0 H ASN B 37 10.274 5.284 2.137 1.00 0.00 H new ATOM 0 HA ASN B 37 9.108 5.812 0.357 1.00 0.00 H new ATOM 0 HB2 ASN B 37 6.432 6.232 1.459 1.00 0.00 H new ATOM 0 HB3 ASN B 37 7.044 4.891 0.511 1.00 0.00 H new ATOM 0 HD21 ASN B 37 6.203 3.592 3.981 1.00 0.00 H new ATOM 0 HD22 ASN B 37 5.468 5.100 3.428 1.00 0.00 H new ATOM 1458 N GLY B 38 9.297 8.565 1.434 1.00 0.00 N ATOM 1459 CA GLY B 38 9.200 10.005 1.208 1.00 0.00 C ATOM 1460 C GLY B 38 7.968 10.586 1.881 1.00 0.00 C ATOM 1461 O GLY B 38 7.972 11.736 2.307 1.00 0.00 O ATOM 0 H GLY B 38 10.108 8.276 1.981 1.00 0.00 H new ATOM 0 HA2 GLY B 38 10.093 10.497 1.592 1.00 0.00 H new ATOM 0 HA3 GLY B 38 9.161 10.206 0.137 1.00 0.00 H new ATOM 1465 N VAL B 39 6.922 9.782 1.982 1.00 0.00 N ATOM 1466 CA VAL B 39 5.704 10.232 2.616 1.00 0.00 C ATOM 1467 C VAL B 39 6.002 10.464 4.095 1.00 0.00 C ATOM 1468 O VAL B 39 5.511 11.428 4.681 1.00 0.00 O ATOM 1469 CB VAL B 39 4.580 9.182 2.381 1.00 0.00 C ATOM 1470 CG1 VAL B 39 4.168 8.466 3.673 1.00 0.00 C ATOM 1471 CG2 VAL B 39 3.343 9.849 1.765 1.00 0.00 C ATOM 0 H VAL B 39 6.896 8.823 1.635 1.00 0.00 H new ATOM 0 HA VAL B 39 5.349 11.170 2.190 1.00 0.00 H new ATOM 0 HB VAL B 39 4.988 8.439 1.696 1.00 0.00 H new ATOM 0 HG11 VAL B 39 3.381 7.744 3.454 1.00 0.00 H new ATOM 0 HG12 VAL B 39 5.030 7.947 4.092 1.00 0.00 H new ATOM 0 HG13 VAL B 39 3.799 9.197 4.393 1.00 0.00 H new ATOM 0 HG21 VAL B 39 2.567 9.100 1.607 1.00 0.00 H new ATOM 0 HG22 VAL B 39 2.972 10.620 2.440 1.00 0.00 H new ATOM 0 HG23 VAL B 39 3.611 10.301 0.810 1.00 0.00 H new ATOM 1481 N ASP B 40 6.837 9.557 4.661 1.00 0.00 N ATOM 1482 CA ASP B 40 7.269 9.604 6.073 1.00 0.00 C ATOM 1483 C ASP B 40 6.288 10.437 6.891 1.00 0.00 C ATOM 1484 O ASP B 40 6.680 11.287 7.693 1.00 0.00 O ATOM 1485 CB ASP B 40 8.669 10.222 6.177 1.00 0.00 C ATOM 1486 CG ASP B 40 8.634 11.686 5.742 1.00 0.00 C ATOM 1487 OD1 ASP B 40 7.524 12.218 5.494 1.00 0.00 O ATOM 1488 OD2 ASP B 40 9.715 12.312 5.607 1.00 0.00 O ATOM 0 H ASP B 40 7.229 8.770 4.144 1.00 0.00 H new ATOM 0 HA ASP B 40 7.295 8.586 6.463 1.00 0.00 H new ATOM 0 HB2 ASP B 40 9.032 10.148 7.202 1.00 0.00 H new ATOM 0 HB3 ASP B 40 9.367 9.666 5.551 1.00 0.00 H new ATOM 1493 N GLY B 41 5.015 10.234 6.594 1.00 0.00 N ATOM 1494 CA GLY B 41 3.953 11.015 7.198 1.00 0.00 C ATOM 1495 C GLY B 41 4.006 11.077 8.716 1.00 0.00 C ATOM 1496 O GLY B 41 4.620 10.235 9.363 1.00 0.00 O ATOM 0 H GLY B 41 4.692 9.528 5.932 1.00 0.00 H new ATOM 0 HA2 GLY B 41 3.995 12.030 6.803 1.00 0.00 H new ATOM 0 HA3 GLY B 41 2.993 10.595 6.897 1.00 0.00 H new ATOM 1500 N GLU B 42 3.329 12.085 9.273 1.00 0.00 N ATOM 1501 CA GLU B 42 3.270 12.253 10.716 1.00 0.00 C ATOM 1502 C GLU B 42 2.456 11.120 11.300 1.00 0.00 C ATOM 1503 O GLU B 42 1.296 10.915 10.944 1.00 0.00 O ATOM 1504 CB GLU B 42 2.605 13.581 11.095 1.00 0.00 C ATOM 1505 CG GLU B 42 2.810 13.849 12.597 1.00 0.00 C ATOM 1506 CD GLU B 42 4.205 14.414 12.838 1.00 0.00 C ATOM 1507 OE1 GLU B 42 4.916 14.653 11.836 1.00 0.00 O ATOM 1508 OE2 GLU B 42 4.554 14.689 14.007 1.00 0.00 O ATOM 0 H GLU B 42 2.818 12.791 8.744 1.00 0.00 H new ATOM 0 HA GLU B 42 4.287 12.251 11.108 1.00 0.00 H new ATOM 0 HB2 GLU B 42 3.032 14.394 10.508 1.00 0.00 H new ATOM 0 HB3 GLU B 42 1.541 13.546 10.863 1.00 0.00 H new ATOM 0 HG2 GLU B 42 2.057 14.551 12.956 1.00 0.00 H new ATOM 0 HG3 GLU B 42 2.680 12.925 13.161 1.00 0.00 H new ATOM 1515 N TRP B 43 3.094 10.364 12.162 1.00 0.00 N ATOM 1516 CA TRP B 43 2.466 9.213 12.781 1.00 0.00 C ATOM 1517 C TRP B 43 1.586 9.512 13.951 1.00 0.00 C ATOM 1518 O TRP B 43 1.943 10.276 14.846 1.00 0.00 O ATOM 1519 CB TRP B 43 3.539 8.206 13.210 1.00 0.00 C ATOM 1520 CG TRP B 43 3.590 7.176 12.219 1.00 0.00 C ATOM 1521 CD1 TRP B 43 3.758 7.375 10.892 1.00 0.00 C ATOM 1522 CD2 TRP B 43 3.462 5.726 12.384 1.00 0.00 C ATOM 1523 NE1 TRP B 43 3.721 6.169 10.225 1.00 0.00 N ATOM 1524 CE2 TRP B 43 3.524 5.118 11.093 1.00 0.00 C ATOM 1525 CE3 TRP B 43 3.291 4.863 13.490 1.00 0.00 C ATOM 1526 CZ2 TRP B 43 3.407 3.733 10.905 1.00 0.00 C ATOM 1527 CZ3 TRP B 43 3.174 3.470 13.314 1.00 0.00 C ATOM 1528 CH2 TRP B 43 3.223 2.907 12.026 1.00 0.00 C ATOM 0 H TRP B 43 4.058 10.525 12.455 1.00 0.00 H new ATOM 0 HA TRP B 43 1.809 8.806 12.013 1.00 0.00 H new ATOM 0 HB2 TRP B 43 4.508 8.696 13.302 1.00 0.00 H new ATOM 0 HB3 TRP B 43 3.300 7.785 14.187 1.00 0.00 H new ATOM 0 HD1 TRP B 43 3.900 8.338 10.423 1.00 0.00 H new ATOM 0 HE1 TRP B 43 3.826 6.068 9.216 1.00 0.00 H new ATOM 0 HE3 TRP B 43 3.249 5.278 14.486 1.00 0.00 H new ATOM 0 HZ2 TRP B 43 3.458 3.308 9.913 1.00 0.00 H new ATOM 0 HZ3 TRP B 43 3.046 2.830 14.174 1.00 0.00 H new ATOM 0 HH2 TRP B 43 3.119 1.840 11.899 1.00 0.00 H new ATOM 1539 N THR B 44 0.537 8.696 14.045 1.00 0.00 N ATOM 1540 CA THR B 44 -0.269 8.664 15.239 1.00 0.00 C ATOM 1541 C THR B 44 -0.926 7.284 15.324 1.00 0.00 C ATOM 1542 O THR B 44 -1.639 6.894 14.404 1.00 0.00 O ATOM 1543 CB THR B 44 -1.352 9.731 15.232 1.00 0.00 C ATOM 1544 OG1 THR B 44 -0.830 10.943 14.700 1.00 0.00 O ATOM 1545 CG2 THR B 44 -1.836 9.953 16.666 1.00 0.00 C ATOM 0 H THR B 44 0.236 8.057 13.309 1.00 0.00 H new ATOM 0 HA THR B 44 0.374 8.860 16.097 1.00 0.00 H new ATOM 0 HB THR B 44 -2.187 9.408 14.610 1.00 0.00 H new ATOM 0 HG1 THR B 44 -1.531 11.627 14.696 1.00 0.00 H new ATOM 0 HG21 THR B 44 -2.614 10.717 16.673 1.00 0.00 H new ATOM 0 HG22 THR B 44 -2.239 9.021 17.062 1.00 0.00 H new ATOM 0 HG23 THR B 44 -1.001 10.280 17.285 1.00 0.00 H new ATOM 1553 N TYR B 45 -0.628 6.535 16.373 1.00 0.00 N ATOM 1554 CA TYR B 45 -1.162 5.164 16.485 1.00 0.00 C ATOM 1555 C TYR B 45 -1.824 4.813 17.810 1.00 0.00 C ATOM 1556 O TYR B 45 -1.172 4.675 18.842 1.00 0.00 O ATOM 1557 CB TYR B 45 -0.032 4.166 16.174 1.00 0.00 C ATOM 1558 CG TYR B 45 -0.399 2.777 16.675 1.00 0.00 C ATOM 1559 CD1 TYR B 45 -1.220 1.936 15.896 1.00 0.00 C ATOM 1560 CD2 TYR B 45 0.029 2.339 17.942 1.00 0.00 C ATOM 1561 CE1 TYR B 45 -1.611 0.675 16.389 1.00 0.00 C ATOM 1562 CE2 TYR B 45 -0.358 1.080 18.432 1.00 0.00 C ATOM 1563 CZ TYR B 45 -1.177 0.247 17.654 1.00 0.00 C ATOM 1564 OH TYR B 45 -1.555 -0.991 18.132 1.00 0.00 O ATOM 0 H TYR B 45 -0.035 6.832 17.148 1.00 0.00 H new ATOM 0 HA TYR B 45 -1.972 5.102 15.759 1.00 0.00 H new ATOM 0 HB2 TYR B 45 0.150 4.136 15.100 1.00 0.00 H new ATOM 0 HB3 TYR B 45 0.894 4.497 16.645 1.00 0.00 H new ATOM 0 HD1 TYR B 45 -1.550 2.259 14.920 1.00 0.00 H new ATOM 0 HD2 TYR B 45 0.661 2.976 18.543 1.00 0.00 H new ATOM 0 HE1 TYR B 45 -2.246 0.036 15.793 1.00 0.00 H new ATOM 0 HE2 TYR B 45 -0.025 0.754 19.406 1.00 0.00 H new ATOM 0 HH TYR B 45 -2.505 -1.139 17.942 1.00 0.00 H new ATOM 1574 N ASP B 46 -3.148 4.630 17.734 1.00 0.00 N ATOM 1575 CA ASP B 46 -3.938 4.254 18.892 1.00 0.00 C ATOM 1576 C ASP B 46 -4.030 2.728 19.028 1.00 0.00 C ATOM 1577 O ASP B 46 -4.681 2.050 18.232 1.00 0.00 O ATOM 1578 CB ASP B 46 -5.371 4.813 18.785 1.00 0.00 C ATOM 1579 CG ASP B 46 -5.539 5.796 17.635 1.00 0.00 C ATOM 1580 OD1 ASP B 46 -4.593 6.546 17.280 1.00 0.00 O ATOM 1581 OD2 ASP B 46 -6.663 5.830 17.078 1.00 0.00 O ATOM 0 H ASP B 46 -3.688 4.739 16.875 1.00 0.00 H new ATOM 0 HA ASP B 46 -3.439 4.672 19.766 1.00 0.00 H new ATOM 0 HB2 ASP B 46 -6.069 3.986 18.655 1.00 0.00 H new ATOM 0 HB3 ASP B 46 -5.634 5.307 19.720 1.00 0.00 H new ATOM 1586 N ASP B 47 -3.387 2.222 20.055 1.00 0.00 N ATOM 1587 CA ASP B 47 -3.401 0.794 20.347 1.00 0.00 C ATOM 1588 C ASP B 47 -4.806 0.362 20.769 1.00 0.00 C ATOM 1589 O ASP B 47 -5.371 -0.599 20.238 1.00 0.00 O ATOM 1590 CB ASP B 47 -2.403 0.583 21.481 1.00 0.00 C ATOM 1591 CG ASP B 47 -2.488 -0.778 22.160 1.00 0.00 C ATOM 1592 OD1 ASP B 47 -3.473 -1.537 22.004 1.00 0.00 O ATOM 1593 OD2 ASP B 47 -1.577 -1.029 22.984 1.00 0.00 O ATOM 0 H ASP B 47 -2.841 2.779 20.712 1.00 0.00 H new ATOM 0 HA ASP B 47 -3.130 0.199 19.475 1.00 0.00 H new ATOM 0 HB2 ASP B 47 -1.395 0.716 21.089 1.00 0.00 H new ATOM 0 HB3 ASP B 47 -2.557 1.358 22.231 1.00 0.00 H new ATOM 1598 N ALA B 48 -5.334 1.073 21.757 1.00 0.00 N ATOM 1599 CA ALA B 48 -6.651 0.787 22.342 1.00 0.00 C ATOM 1600 C ALA B 48 -7.816 1.103 21.415 1.00 0.00 C ATOM 1601 O ALA B 48 -8.957 0.764 21.730 1.00 0.00 O ATOM 1602 CB ALA B 48 -6.829 1.616 23.618 1.00 0.00 C ATOM 0 H ALA B 48 -4.862 1.871 22.182 1.00 0.00 H new ATOM 0 HA ALA B 48 -6.668 -0.285 22.540 1.00 0.00 H new ATOM 0 HB1 ALA B 48 -7.805 1.406 24.055 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -6.048 1.356 24.333 1.00 0.00 H new ATOM 0 HB3 ALA B 48 -6.760 2.676 23.375 1.00 0.00 H new ATOM 1608 N THR B 49 -7.549 1.726 20.276 1.00 0.00 N ATOM 1609 CA THR B 49 -8.616 2.045 19.325 1.00 0.00 C ATOM 1610 C THR B 49 -8.220 1.476 17.983 1.00 0.00 C ATOM 1611 O THR B 49 -8.806 1.790 16.949 1.00 0.00 O ATOM 1612 CB THR B 49 -8.866 3.564 19.233 1.00 0.00 C ATOM 1613 OG1 THR B 49 -8.230 4.090 18.079 1.00 0.00 O ATOM 1614 CG2 THR B 49 -8.329 4.271 20.483 1.00 0.00 C ATOM 0 H THR B 49 -6.616 2.020 19.986 1.00 0.00 H new ATOM 0 HA THR B 49 -9.553 1.603 19.663 1.00 0.00 H new ATOM 0 HB THR B 49 -9.940 3.735 19.164 1.00 0.00 H new ATOM 0 HG1 THR B 49 -7.930 5.005 18.259 1.00 0.00 H new ATOM 0 HG21 THR B 49 -8.513 5.342 20.402 1.00 0.00 H new ATOM 0 HG22 THR B 49 -8.834 3.881 21.367 1.00 0.00 H new ATOM 0 HG23 THR B 49 -7.257 4.093 20.570 1.00 0.00 H new ATOM 1622 N LYS B 50 -7.207 0.611 18.032 1.00 0.00 N ATOM 1623 CA LYS B 50 -6.680 -0.054 16.854 1.00 0.00 C ATOM 1624 C LYS B 50 -6.703 0.891 15.670 1.00 0.00 C ATOM 1625 O LYS B 50 -7.546 0.770 14.781 1.00 0.00 O ATOM 1626 CB LYS B 50 -7.453 -1.372 16.538 1.00 0.00 C ATOM 1627 CG LYS B 50 -8.834 -1.442 17.230 1.00 0.00 C ATOM 1628 CD LYS B 50 -8.686 -1.685 18.753 1.00 0.00 C ATOM 1629 CE LYS B 50 -9.917 -2.418 19.308 1.00 0.00 C ATOM 1630 NZ LYS B 50 -11.072 -1.477 19.373 1.00 0.00 N ATOM 0 H LYS B 50 -6.731 0.355 18.897 1.00 0.00 H new ATOM 0 HA LYS B 50 -5.647 -0.334 17.058 1.00 0.00 H new ATOM 0 HB2 LYS B 50 -7.588 -1.458 15.460 1.00 0.00 H new ATOM 0 HB3 LYS B 50 -6.851 -2.224 16.853 1.00 0.00 H new ATOM 0 HG2 LYS B 50 -9.377 -0.513 17.058 1.00 0.00 H new ATOM 0 HG3 LYS B 50 -9.425 -2.243 16.787 1.00 0.00 H new ATOM 0 HD2 LYS B 50 -7.789 -2.272 18.947 1.00 0.00 H new ATOM 0 HD3 LYS B 50 -8.561 -0.732 19.268 1.00 0.00 H new ATOM 0 HE2 LYS B 50 -10.163 -3.269 18.673 1.00 0.00 H new ATOM 0 HE3 LYS B 50 -9.701 -2.813 20.300 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 -11.904 -1.975 19.749 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 -10.835 -0.679 19.996 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 -11.283 -1.120 18.419 1.00 0.00 H new ATOM 1644 N THR B 51 -5.738 1.806 15.631 1.00 0.00 N ATOM 1645 CA THR B 51 -5.669 2.714 14.482 1.00 0.00 C ATOM 1646 C THR B 51 -4.282 3.362 14.283 1.00 0.00 C ATOM 1647 O THR B 51 -3.519 3.506 15.232 1.00 0.00 O ATOM 1648 CB THR B 51 -6.770 3.766 14.599 1.00 0.00 C ATOM 1649 OG1 THR B 51 -7.865 3.212 15.316 1.00 0.00 O ATOM 1650 CG2 THR B 51 -7.247 4.197 13.196 1.00 0.00 C ATOM 0 H THR B 51 -5.022 1.940 16.345 1.00 0.00 H new ATOM 0 HA THR B 51 -5.829 2.115 13.586 1.00 0.00 H new ATOM 0 HB THR B 51 -6.379 4.638 15.124 1.00 0.00 H new ATOM 0 HG1 THR B 51 -7.835 3.518 16.247 1.00 0.00 H new ATOM 0 HG21 THR B 51 -8.032 4.947 13.293 1.00 0.00 H new ATOM 0 HG22 THR B 51 -6.409 4.618 12.640 1.00 0.00 H new ATOM 0 HG23 THR B 51 -7.637 3.330 12.662 1.00 0.00 H new ATOM 1658 N PHE B 52 -4.016 3.806 13.039 1.00 0.00 N ATOM 1659 CA PHE B 52 -2.771 4.521 12.676 1.00 0.00 C ATOM 1660 C PHE B 52 -3.137 5.684 11.800 1.00 0.00 C ATOM 1661 O PHE B 52 -4.087 5.591 11.031 1.00 0.00 O ATOM 1662 CB PHE B 52 -1.726 3.725 11.869 1.00 0.00 C ATOM 1663 CG PHE B 52 -1.501 2.368 12.429 1.00 0.00 C ATOM 1664 CD1 PHE B 52 -2.584 1.472 12.542 1.00 0.00 C ATOM 1665 CD2 PHE B 52 -0.209 1.953 12.800 1.00 0.00 C ATOM 1666 CE1 PHE B 52 -2.378 0.175 13.044 1.00 0.00 C ATOM 1667 CE2 PHE B 52 -0.005 0.660 13.307 1.00 0.00 C ATOM 1668 CZ PHE B 52 -1.090 -0.223 13.440 1.00 0.00 C ATOM 0 H PHE B 52 -4.657 3.680 12.255 1.00 0.00 H new ATOM 0 HA PHE B 52 -2.318 4.771 13.635 1.00 0.00 H new ATOM 0 HB2 PHE B 52 -2.057 3.639 10.834 1.00 0.00 H new ATOM 0 HB3 PHE B 52 -0.784 4.273 11.858 1.00 0.00 H new ATOM 0 HD1 PHE B 52 -3.574 1.783 12.242 1.00 0.00 H new ATOM 0 HD2 PHE B 52 0.626 2.629 12.695 1.00 0.00 H new ATOM 0 HE1 PHE B 52 -3.207 -0.513 13.125 1.00 0.00 H new ATOM 0 HE2 PHE B 52 0.987 0.344 13.595 1.00 0.00 H new ATOM 0 HZ PHE B 52 -0.933 -1.211 13.848 1.00 0.00 H new ATOM 1678 N THR B 53 -2.346 6.743 11.855 1.00 0.00 N ATOM 1679 CA THR B 53 -2.580 7.879 10.980 1.00 0.00 C ATOM 1680 C THR B 53 -1.263 8.335 10.368 1.00 0.00 C ATOM 1681 O THR B 53 -0.409 8.911 11.041 1.00 0.00 O ATOM 1682 CB THR B 53 -3.221 9.032 11.759 1.00 0.00 C ATOM 1683 OG1 THR B 53 -4.222 8.519 12.626 1.00 0.00 O ATOM 1684 CG2 THR B 53 -3.862 10.020 10.780 1.00 0.00 C ATOM 0 H THR B 53 -1.550 6.840 12.485 1.00 0.00 H new ATOM 0 HA THR B 53 -3.262 7.576 10.185 1.00 0.00 H new ATOM 0 HB THR B 53 -2.455 9.542 12.343 1.00 0.00 H new ATOM 0 HG1 THR B 53 -4.631 9.256 13.126 1.00 0.00 H new ATOM 0 HG21 THR B 53 -4.317 10.839 11.336 1.00 0.00 H new ATOM 0 HG22 THR B 53 -3.098 10.416 10.111 1.00 0.00 H new ATOM 0 HG23 THR B 53 -4.627 9.509 10.196 1.00 0.00 H new ATOM 1692 N VAL B 54 -1.122 8.074 9.075 1.00 0.00 N ATOM 1693 CA VAL B 54 0.088 8.471 8.353 1.00 0.00 C ATOM 1694 C VAL B 54 -0.221 9.800 7.708 1.00 0.00 C ATOM 1695 O VAL B 54 -1.189 9.899 6.986 1.00 0.00 O ATOM 1696 CB VAL B 54 0.461 7.429 7.301 1.00 0.00 C ATOM 1697 CG1 VAL B 54 1.614 7.947 6.439 1.00 0.00 C ATOM 1698 CG2 VAL B 54 0.883 6.139 8.000 1.00 0.00 C ATOM 0 H VAL B 54 -1.820 7.595 8.506 1.00 0.00 H new ATOM 0 HA VAL B 54 0.940 8.550 9.028 1.00 0.00 H new ATOM 0 HB VAL B 54 -0.400 7.236 6.661 1.00 0.00 H new ATOM 0 HG11 VAL B 54 1.874 7.198 5.691 1.00 0.00 H new ATOM 0 HG12 VAL B 54 1.310 8.868 5.940 1.00 0.00 H new ATOM 0 HG13 VAL B 54 2.480 8.145 7.071 1.00 0.00 H new ATOM 0 HG21 VAL B 54 1.150 5.391 7.253 1.00 0.00 H new ATOM 0 HG22 VAL B 54 1.743 6.337 8.640 1.00 0.00 H new ATOM 0 HG23 VAL B 54 0.057 5.767 8.606 1.00 0.00 H new ATOM 1708 N THR B 55 0.627 10.801 7.913 1.00 0.00 N ATOM 1709 CA THR B 55 0.351 12.103 7.275 1.00 0.00 C ATOM 1710 C THR B 55 1.576 12.780 6.682 1.00 0.00 C ATOM 1711 O THR B 55 2.384 13.379 7.389 1.00 0.00 O ATOM 1712 CB THR B 55 -0.321 13.024 8.304 1.00 0.00 C ATOM 1713 OG1 THR B 55 -1.102 12.238 9.193 1.00 0.00 O ATOM 1714 CG2 THR B 55 -1.226 14.029 7.589 1.00 0.00 C ATOM 0 H THR B 55 1.472 10.755 8.483 1.00 0.00 H new ATOM 0 HA THR B 55 -0.309 11.909 6.429 1.00 0.00 H new ATOM 0 HB THR B 55 0.445 13.564 8.861 1.00 0.00 H new ATOM 0 HG1 THR B 55 -1.852 11.839 8.704 1.00 0.00 H new ATOM 0 HG21 THR B 55 -1.700 14.679 8.324 1.00 0.00 H new ATOM 0 HG22 THR B 55 -0.630 14.631 6.903 1.00 0.00 H new ATOM 0 HG23 THR B 55 -1.994 13.494 7.030 1.00 0.00 H new ATOM 1722 N GLU B 56 1.658 12.635 5.359 1.00 0.00 N ATOM 1723 CA GLU B 56 2.763 13.168 4.543 1.00 0.00 C ATOM 1724 C GLU B 56 3.659 14.114 5.350 1.00 0.00 C ATOM 1725 O GLU B 56 3.142 15.081 5.884 1.00 0.00 O ATOM 1726 CB GLU B 56 2.240 13.901 3.293 1.00 0.00 C ATOM 1727 CG GLU B 56 3.308 13.830 2.191 1.00 0.00 C ATOM 1728 CD GLU B 56 4.603 14.455 2.701 1.00 0.00 C ATOM 1729 OE1 GLU B 56 4.567 15.618 3.158 1.00 0.00 O ATOM 1730 OE2 GLU B 56 5.636 13.750 2.716 1.00 0.00 O ATOM 1731 OXT GLU B 56 4.845 13.844 5.430 1.00 0.00 O ATOM 0 H GLU B 56 0.954 12.139 4.812 1.00 0.00 H new ATOM 0 HA GLU B 56 3.356 12.309 4.227 1.00 0.00 H new ATOM 0 HB2 GLU B 56 1.312 13.444 2.949 1.00 0.00 H new ATOM 0 HB3 GLU B 56 2.014 14.940 3.532 1.00 0.00 H new ATOM 0 HG2 GLU B 56 3.480 12.793 1.902 1.00 0.00 H new ATOM 0 HG3 GLU B 56 2.963 14.356 1.301 1.00 0.00 H new