USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 574 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 46 ASN : amide:sc= -2.25 X(o=-2.3,f=-2.3!) USER MOD Set 2.1: A 44 ASN : amide:sc= -1.7 K(o=-8.2,f=-14!) USER MOD Set 2.2: A 45 ASN : amide:sc= -6.5! C(o=-8.2!,f=-13!) USER MOD Single : A 1 LYS N :NH3+ -170:sc= -1.53 (180deg=-2.02) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HD1:sc= -0.134 X(o=-0.13,f=-0.028) USER MOD Single : A 22 ASN : amide:sc= -2.09 K(o=-2.1,f=-12!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS : no HD1:sc= -0.572 K(o=-0.57,f=-1.2) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 31 THR OG1 : rot 110:sc= -1.31 USER MOD Single : A 33 ASN : amide:sc= -0.168 K(o=-0.17,f=-1.9!) USER MOD Single : A 37 GLN : amide:sc= -3.95 K(o=-3.9,f=-11!) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 LYS NZ :NH3+ 159:sc= -1.43 (180deg=-2.77!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= -0.0881 X(o=-0.088,f=0.28) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -9.467 -17.570 -15.880 1.00 0.00 N ATOM 2 CA LYS A 1 -10.611 -16.616 -15.880 1.00 0.00 C ATOM 3 C LYS A 1 -10.321 -15.469 -16.853 1.00 0.00 C ATOM 4 O LYS A 1 -9.858 -14.404 -16.443 1.00 0.00 O ATOM 5 CB LYS A 1 -10.808 -16.054 -14.469 1.00 0.00 C ATOM 6 CG LYS A 1 -11.053 -17.203 -13.489 1.00 0.00 C ATOM 7 CD LYS A 1 -9.731 -17.606 -12.832 1.00 0.00 C ATOM 8 CE LYS A 1 -9.902 -18.951 -12.125 1.00 0.00 C ATOM 9 NZ LYS A 1 -8.761 -19.169 -11.191 1.00 0.00 N ATOM 0 H1 LYS A 1 -9.731 -18.428 -15.355 1.00 0.00 H new ATOM 0 H2 LYS A 1 -9.226 -17.823 -16.860 1.00 0.00 H new ATOM 0 H3 LYS A 1 -8.644 -17.125 -15.425 1.00 0.00 H new ATOM 0 HA LYS A 1 -11.517 -17.136 -16.193 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -9.928 -15.486 -14.167 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -11.652 -15.365 -14.456 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -11.771 -16.899 -12.728 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -11.486 -18.055 -14.013 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -8.945 -17.676 -13.584 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -9.421 -16.844 -12.117 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -10.844 -18.969 -11.576 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -9.945 -19.757 -12.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -8.876 -20.084 -10.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -7.869 -19.170 -11.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -8.740 -18.406 -10.484 1.00 0.00 H new ATOM 25 N PRO A 2 -10.587 -15.667 -18.155 1.00 0.00 N ATOM 26 CA PRO A 2 -10.345 -14.631 -19.178 1.00 0.00 C ATOM 27 C PRO A 2 -11.496 -13.634 -19.286 1.00 0.00 C ATOM 28 O PRO A 2 -12.456 -13.849 -20.026 1.00 0.00 O ATOM 29 CB PRO A 2 -10.220 -15.449 -20.457 1.00 0.00 C ATOM 30 CG PRO A 2 -10.965 -16.756 -20.227 1.00 0.00 C ATOM 31 CD PRO A 2 -11.142 -16.924 -18.715 1.00 0.00 C ATOM 0 HA PRO A 2 -9.472 -14.019 -18.951 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -10.644 -14.908 -21.303 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -9.173 -15.639 -20.692 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -11.933 -16.739 -20.727 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -10.406 -17.594 -20.643 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -12.190 -17.054 -18.446 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -10.607 -17.798 -18.344 1.00 0.00 H new ATOM 39 N VAL A 3 -11.387 -12.539 -18.539 1.00 0.00 N ATOM 40 CA VAL A 3 -12.422 -11.510 -18.557 1.00 0.00 C ATOM 41 C VAL A 3 -11.942 -10.262 -17.810 1.00 0.00 C ATOM 42 O VAL A 3 -12.713 -9.587 -17.128 1.00 0.00 O ATOM 43 CB VAL A 3 -13.718 -12.049 -17.924 1.00 0.00 C ATOM 44 CG1 VAL A 3 -13.494 -12.367 -16.441 1.00 0.00 C ATOM 45 CG2 VAL A 3 -14.833 -11.008 -18.060 1.00 0.00 C ATOM 0 H VAL A 3 -10.601 -12.342 -17.920 1.00 0.00 H new ATOM 0 HA VAL A 3 -12.627 -11.237 -19.592 1.00 0.00 H new ATOM 0 HB VAL A 3 -14.007 -12.963 -18.443 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -14.419 -12.747 -16.007 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -12.712 -13.120 -16.344 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -13.192 -11.461 -15.916 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -15.748 -11.394 -17.611 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -14.538 -10.090 -17.551 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -15.008 -10.798 -19.115 1.00 0.00 H new ATOM 55 N SER A 4 -10.650 -9.968 -17.952 1.00 0.00 N ATOM 56 CA SER A 4 -10.058 -8.803 -17.294 1.00 0.00 C ATOM 57 C SER A 4 -10.125 -8.949 -15.776 1.00 0.00 C ATOM 58 O SER A 4 -11.148 -9.348 -15.219 1.00 0.00 O ATOM 59 CB SER A 4 -10.785 -7.520 -17.703 1.00 0.00 C ATOM 60 OG SER A 4 -11.028 -7.544 -19.103 1.00 0.00 O ATOM 0 H SER A 4 -9.997 -10.516 -18.512 1.00 0.00 H new ATOM 0 HA SER A 4 -9.016 -8.743 -17.607 1.00 0.00 H new ATOM 0 HB2 SER A 4 -11.726 -7.433 -17.160 1.00 0.00 H new ATOM 0 HB3 SER A 4 -10.184 -6.649 -17.441 1.00 0.00 H new ATOM 0 HG SER A 4 -11.495 -6.724 -19.368 1.00 0.00 H new ATOM 66 N LEU A 5 -9.019 -8.619 -15.113 1.00 0.00 N ATOM 67 CA LEU A 5 -8.953 -8.713 -13.655 1.00 0.00 C ATOM 68 C LEU A 5 -9.189 -10.150 -13.199 1.00 0.00 C ATOM 69 O LEU A 5 -9.357 -11.056 -14.016 1.00 0.00 O ATOM 70 CB LEU A 5 -10.004 -7.806 -13.011 1.00 0.00 C ATOM 71 CG LEU A 5 -9.815 -6.372 -13.507 1.00 0.00 C ATOM 72 CD1 LEU A 5 -11.157 -5.638 -13.474 1.00 0.00 C ATOM 73 CD2 LEU A 5 -8.817 -5.647 -12.601 1.00 0.00 C ATOM 0 H LEU A 5 -8.163 -8.287 -15.557 1.00 0.00 H new ATOM 0 HA LEU A 5 -7.958 -8.394 -13.344 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -11.005 -8.159 -13.259 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -9.914 -7.841 -11.925 1.00 0.00 H new ATOM 0 HG LEU A 5 -9.435 -6.389 -14.529 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -11.021 -4.616 -13.828 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -11.870 -6.153 -14.118 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -11.537 -5.621 -12.453 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -8.682 -4.625 -12.954 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -9.198 -5.631 -11.580 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -7.860 -6.168 -12.623 1.00 0.00 H new ATOM 85 N SER A 6 -9.200 -10.347 -11.883 1.00 0.00 N ATOM 86 CA SER A 6 -9.416 -11.680 -11.325 1.00 0.00 C ATOM 87 C SER A 6 -10.649 -11.695 -10.423 1.00 0.00 C ATOM 88 O SER A 6 -10.730 -12.481 -9.479 1.00 0.00 O ATOM 89 CB SER A 6 -8.200 -12.121 -10.510 1.00 0.00 C ATOM 90 OG SER A 6 -7.922 -11.145 -9.516 1.00 0.00 O ATOM 0 H SER A 6 -9.064 -9.611 -11.190 1.00 0.00 H new ATOM 0 HA SER A 6 -9.569 -12.368 -12.156 1.00 0.00 H new ATOM 0 HB2 SER A 6 -8.391 -13.087 -10.044 1.00 0.00 H new ATOM 0 HB3 SER A 6 -7.337 -12.248 -11.163 1.00 0.00 H new ATOM 0 HG SER A 6 -7.144 -11.426 -8.991 1.00 0.00 H new ATOM 96 N TYR A 7 -11.611 -10.824 -10.732 1.00 0.00 N ATOM 97 CA TYR A 7 -12.849 -10.739 -9.951 1.00 0.00 C ATOM 98 C TYR A 7 -12.567 -10.220 -8.544 1.00 0.00 C ATOM 99 O TYR A 7 -12.871 -9.074 -8.214 1.00 0.00 O ATOM 100 CB TYR A 7 -13.536 -12.117 -9.868 1.00 0.00 C ATOM 101 CG TYR A 7 -14.969 -12.011 -10.339 1.00 0.00 C ATOM 102 CD1 TYR A 7 -15.250 -11.539 -11.626 1.00 0.00 C ATOM 103 CD2 TYR A 7 -16.016 -12.383 -9.486 1.00 0.00 C ATOM 104 CE1 TYR A 7 -16.577 -11.441 -12.063 1.00 0.00 C ATOM 105 CE2 TYR A 7 -17.343 -12.286 -9.923 1.00 0.00 C ATOM 106 CZ TYR A 7 -17.624 -11.814 -11.211 1.00 0.00 C ATOM 107 OH TYR A 7 -18.931 -11.718 -11.640 1.00 0.00 O ATOM 0 H TYR A 7 -11.559 -10.170 -11.513 1.00 0.00 H new ATOM 0 HA TYR A 7 -13.515 -10.041 -10.457 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -12.996 -12.839 -10.480 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -13.508 -12.485 -8.842 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -14.443 -11.250 -12.283 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -15.800 -12.745 -8.492 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -16.793 -11.078 -13.057 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -18.150 -12.575 -9.266 1.00 0.00 H new ATOM 0 HH TYR A 7 -19.532 -12.018 -10.927 1.00 0.00 H new ATOM 117 N ARG A 8 -11.987 -11.081 -7.719 1.00 0.00 N ATOM 118 CA ARG A 8 -11.665 -10.717 -6.339 1.00 0.00 C ATOM 119 C ARG A 8 -10.723 -9.515 -6.301 1.00 0.00 C ATOM 120 O ARG A 8 -10.364 -8.956 -7.337 1.00 0.00 O ATOM 121 CB ARG A 8 -11.003 -11.893 -5.617 1.00 0.00 C ATOM 122 CG ARG A 8 -9.802 -12.383 -6.429 1.00 0.00 C ATOM 123 CD ARG A 8 -8.975 -13.356 -5.587 1.00 0.00 C ATOM 124 NE ARG A 8 -7.865 -12.662 -4.939 1.00 0.00 N ATOM 125 CZ ARG A 8 -6.640 -13.178 -4.942 1.00 0.00 C ATOM 126 NH1 ARG A 8 -6.407 -14.311 -4.339 1.00 0.00 N ATOM 127 NH2 ARG A 8 -5.670 -12.551 -5.550 1.00 0.00 N ATOM 0 H ARG A 8 -11.729 -12.034 -7.976 1.00 0.00 H new ATOM 0 HA ARG A 8 -12.597 -10.458 -5.837 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -10.681 -11.587 -4.621 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -11.721 -12.703 -5.485 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -10.143 -12.874 -7.341 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -9.187 -11.536 -6.734 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -9.609 -13.822 -4.833 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -8.591 -14.156 -6.219 1.00 0.00 H new ATOM 0 HE ARG A 8 -8.032 -11.768 -4.477 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -7.165 -14.802 -3.865 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -5.467 -14.706 -4.342 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -5.852 -11.666 -6.022 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -4.730 -12.946 -5.553 1.00 0.00 H new ATOM 141 N CYS A 9 -10.330 -9.126 -5.091 1.00 0.00 N ATOM 142 CA CYS A 9 -9.431 -7.986 -4.921 1.00 0.00 C ATOM 143 C CYS A 9 -7.968 -8.439 -4.969 1.00 0.00 C ATOM 144 O CYS A 9 -7.660 -9.589 -4.658 1.00 0.00 O ATOM 145 CB CYS A 9 -9.696 -7.287 -3.588 1.00 0.00 C ATOM 146 SG CYS A 9 -11.428 -6.762 -3.515 1.00 0.00 S ATOM 0 H CYS A 9 -10.616 -9.577 -4.222 1.00 0.00 H new ATOM 0 HA CYS A 9 -9.619 -7.289 -5.738 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -9.474 -7.962 -2.761 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -9.039 -6.424 -3.481 1.00 0.00 H new ATOM 151 N PRO A 10 -7.049 -7.543 -5.366 1.00 0.00 N ATOM 152 CA PRO A 10 -5.608 -7.869 -5.459 1.00 0.00 C ATOM 153 C PRO A 10 -4.894 -7.900 -4.106 1.00 0.00 C ATOM 154 O PRO A 10 -4.458 -8.956 -3.648 1.00 0.00 O ATOM 155 CB PRO A 10 -5.062 -6.749 -6.335 1.00 0.00 C ATOM 156 CG PRO A 10 -6.022 -5.577 -6.211 1.00 0.00 C ATOM 157 CD PRO A 10 -7.367 -6.143 -5.755 1.00 0.00 C ATOM 0 HA PRO A 10 -5.449 -8.871 -5.857 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -4.061 -6.462 -6.014 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -4.983 -7.075 -7.372 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -5.648 -4.847 -5.493 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -6.125 -5.061 -7.166 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -7.775 -5.578 -4.917 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -8.107 -6.108 -6.554 1.00 0.00 H new ATOM 165 N CYS A 11 -4.761 -6.735 -3.485 1.00 0.00 N ATOM 166 CA CYS A 11 -4.073 -6.649 -2.194 1.00 0.00 C ATOM 167 C CYS A 11 -4.793 -7.470 -1.132 1.00 0.00 C ATOM 168 O CYS A 11 -6.012 -7.645 -1.169 1.00 0.00 O ATOM 169 CB CYS A 11 -3.970 -5.198 -1.713 1.00 0.00 C ATOM 170 SG CYS A 11 -2.550 -4.400 -2.500 1.00 0.00 S ATOM 0 H CYS A 11 -5.113 -5.847 -3.843 1.00 0.00 H new ATOM 0 HA CYS A 11 -3.070 -7.049 -2.343 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -4.885 -4.658 -1.956 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -3.861 -5.170 -0.629 1.00 0.00 H new ATOM 175 N ARG A 12 -4.010 -7.964 -0.179 1.00 0.00 N ATOM 176 CA ARG A 12 -4.546 -8.766 0.916 1.00 0.00 C ATOM 177 C ARG A 12 -3.750 -8.494 2.187 1.00 0.00 C ATOM 178 O ARG A 12 -4.312 -8.224 3.249 1.00 0.00 O ATOM 179 CB ARG A 12 -4.466 -10.258 0.584 1.00 0.00 C ATOM 180 CG ARG A 12 -5.419 -10.577 -0.570 1.00 0.00 C ATOM 181 CD ARG A 12 -5.907 -12.021 -0.444 1.00 0.00 C ATOM 182 NE ARG A 12 -7.063 -12.250 -1.306 1.00 0.00 N ATOM 183 CZ ARG A 12 -8.277 -12.424 -0.792 1.00 0.00 C ATOM 184 NH1 ARG A 12 -8.747 -11.567 0.072 1.00 0.00 N ATOM 185 NH2 ARG A 12 -8.998 -13.450 -1.153 1.00 0.00 N ATOM 0 H ARG A 12 -3.000 -7.823 -0.142 1.00 0.00 H new ATOM 0 HA ARG A 12 -5.591 -8.492 1.064 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -3.445 -10.526 0.311 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -4.728 -10.851 1.460 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -6.267 -9.893 -0.555 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -4.912 -10.435 -1.524 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -5.104 -12.707 -0.714 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -6.172 -12.232 0.592 1.00 0.00 H new ATOM 0 HE ARG A 12 -6.937 -12.277 -2.318 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -8.183 -10.764 0.353 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -9.678 -11.699 0.467 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -8.630 -14.119 -1.830 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -9.929 -13.583 -0.758 1.00 0.00 H new ATOM 199 N PHE A 13 -2.430 -8.554 2.055 1.00 0.00 N ATOM 200 CA PHE A 13 -1.541 -8.299 3.185 1.00 0.00 C ATOM 201 C PHE A 13 -0.839 -6.960 2.990 1.00 0.00 C ATOM 202 O PHE A 13 -0.383 -6.639 1.892 1.00 0.00 O ATOM 203 CB PHE A 13 -0.486 -9.402 3.307 1.00 0.00 C ATOM 204 CG PHE A 13 -1.162 -10.753 3.328 1.00 0.00 C ATOM 205 CD1 PHE A 13 -1.846 -11.176 4.474 1.00 0.00 C ATOM 206 CD2 PHE A 13 -1.106 -11.581 2.201 1.00 0.00 C ATOM 207 CE1 PHE A 13 -2.473 -12.428 4.493 1.00 0.00 C ATOM 208 CE2 PHE A 13 -1.733 -12.833 2.220 1.00 0.00 C ATOM 209 CZ PHE A 13 -2.417 -13.256 3.367 1.00 0.00 C ATOM 0 H PHE A 13 -1.952 -8.776 1.182 1.00 0.00 H new ATOM 0 HA PHE A 13 -2.140 -8.281 4.096 1.00 0.00 H new ATOM 0 HB2 PHE A 13 0.211 -9.346 2.471 1.00 0.00 H new ATOM 0 HB3 PHE A 13 0.097 -9.262 4.217 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -1.890 -10.537 5.343 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -0.579 -11.254 1.317 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -3.000 -12.754 5.377 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -1.689 -13.472 1.351 1.00 0.00 H new ATOM 0 HZ PHE A 13 -2.901 -14.221 3.382 1.00 0.00 H new ATOM 219 N PHE A 14 -0.768 -6.172 4.059 1.00 0.00 N ATOM 220 CA PHE A 14 -0.130 -4.861 3.976 1.00 0.00 C ATOM 221 C PHE A 14 1.120 -4.795 4.841 1.00 0.00 C ATOM 222 O PHE A 14 1.117 -5.210 6.000 1.00 0.00 O ATOM 223 CB PHE A 14 -1.093 -3.767 4.430 1.00 0.00 C ATOM 224 CG PHE A 14 -2.083 -3.490 3.330 1.00 0.00 C ATOM 225 CD1 PHE A 14 -3.026 -4.459 2.970 1.00 0.00 C ATOM 226 CD2 PHE A 14 -2.051 -2.265 2.668 1.00 0.00 C ATOM 227 CE1 PHE A 14 -3.938 -4.196 1.941 1.00 0.00 C ATOM 228 CE2 PHE A 14 -2.959 -1.998 1.641 1.00 0.00 C ATOM 229 CZ PHE A 14 -3.905 -2.963 1.276 1.00 0.00 C ATOM 0 H PHE A 14 -1.138 -6.412 4.979 1.00 0.00 H new ATOM 0 HA PHE A 14 0.148 -4.705 2.934 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -1.615 -4.078 5.335 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -0.541 -2.860 4.676 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -3.050 -5.408 3.485 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -1.322 -1.520 2.950 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -4.666 -4.942 1.660 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -2.931 -1.048 1.129 1.00 0.00 H new ATOM 0 HZ PHE A 14 -4.609 -2.758 0.483 1.00 0.00 H new ATOM 239 N GLU A 15 2.187 -4.253 4.263 1.00 0.00 N ATOM 240 CA GLU A 15 3.444 -4.115 4.989 1.00 0.00 C ATOM 241 C GLU A 15 3.655 -2.656 5.393 1.00 0.00 C ATOM 242 O GLU A 15 4.446 -1.934 4.788 1.00 0.00 O ATOM 243 CB GLU A 15 4.620 -4.576 4.123 1.00 0.00 C ATOM 244 CG GLU A 15 4.792 -6.090 4.261 1.00 0.00 C ATOM 245 CD GLU A 15 5.551 -6.401 5.547 1.00 0.00 C ATOM 246 OE1 GLU A 15 5.330 -5.705 6.524 1.00 0.00 O ATOM 247 OE2 GLU A 15 6.341 -7.330 5.535 1.00 0.00 O ATOM 0 H GLU A 15 2.207 -3.906 3.304 1.00 0.00 H new ATOM 0 HA GLU A 15 3.395 -4.739 5.881 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.443 -4.313 3.080 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.533 -4.066 4.430 1.00 0.00 H new ATOM 0 HG2 GLU A 15 3.817 -6.578 4.275 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.334 -6.485 3.402 1.00 0.00 H new ATOM 254 N SER A 16 2.927 -2.227 6.425 1.00 0.00 N ATOM 255 CA SER A 16 3.033 -0.846 6.905 1.00 0.00 C ATOM 256 C SER A 16 4.481 -0.490 7.251 1.00 0.00 C ATOM 257 O SER A 16 4.859 0.681 7.252 1.00 0.00 O ATOM 258 CB SER A 16 2.160 -0.640 8.144 1.00 0.00 C ATOM 259 OG SER A 16 2.418 -1.680 9.079 1.00 0.00 O ATOM 0 H SER A 16 2.265 -2.807 6.940 1.00 0.00 H new ATOM 0 HA SER A 16 2.690 -0.194 6.102 1.00 0.00 H new ATOM 0 HB2 SER A 16 2.371 0.330 8.594 1.00 0.00 H new ATOM 0 HB3 SER A 16 1.106 -0.640 7.865 1.00 0.00 H new ATOM 0 HG SER A 16 1.861 -1.550 9.875 1.00 0.00 H new ATOM 265 N HIS A 17 5.290 -1.511 7.539 1.00 0.00 N ATOM 266 CA HIS A 17 6.696 -1.286 7.875 1.00 0.00 C ATOM 267 C HIS A 17 7.423 -0.551 6.745 1.00 0.00 C ATOM 268 O HIS A 17 8.468 0.061 6.962 1.00 0.00 O ATOM 269 CB HIS A 17 7.401 -2.619 8.135 1.00 0.00 C ATOM 270 CG HIS A 17 8.650 -2.378 8.937 1.00 0.00 C ATOM 271 ND1 HIS A 17 9.833 -3.056 8.686 1.00 0.00 N ATOM 272 CD2 HIS A 17 8.915 -1.536 9.989 1.00 0.00 C ATOM 273 CE1 HIS A 17 10.747 -2.615 9.569 1.00 0.00 C ATOM 274 NE2 HIS A 17 10.240 -1.688 10.387 1.00 0.00 N ATOM 0 H HIS A 17 5.001 -2.489 7.547 1.00 0.00 H new ATOM 0 HA HIS A 17 6.725 -0.671 8.775 1.00 0.00 H new ATOM 0 HB2 HIS A 17 6.736 -3.295 8.672 1.00 0.00 H new ATOM 0 HB3 HIS A 17 7.650 -3.101 7.190 1.00 0.00 H new ATOM 0 HD2 HIS A 17 8.204 -0.859 10.439 1.00 0.00 H new ATOM 0 HE1 HIS A 17 11.767 -2.967 9.612 1.00 0.00 H new ATOM 0 HE2 HIS A 17 10.721 -1.197 11.141 1.00 0.00 H new ATOM 282 N VAL A 18 6.861 -0.617 5.533 1.00 0.00 N ATOM 283 CA VAL A 18 7.463 0.045 4.380 1.00 0.00 C ATOM 284 C VAL A 18 7.630 1.537 4.643 1.00 0.00 C ATOM 285 O VAL A 18 6.950 2.123 5.487 1.00 0.00 O ATOM 286 CB VAL A 18 6.582 -0.148 3.136 1.00 0.00 C ATOM 287 CG1 VAL A 18 7.252 0.487 1.913 1.00 0.00 C ATOM 288 CG2 VAL A 18 6.382 -1.641 2.878 1.00 0.00 C ATOM 0 H VAL A 18 5.997 -1.119 5.330 1.00 0.00 H new ATOM 0 HA VAL A 18 8.442 -0.402 4.209 1.00 0.00 H new ATOM 0 HB VAL A 18 5.618 0.331 3.308 1.00 0.00 H new ATOM 0 HG11 VAL A 18 6.620 0.345 1.037 1.00 0.00 H new ATOM 0 HG12 VAL A 18 7.394 1.553 2.089 1.00 0.00 H new ATOM 0 HG13 VAL A 18 8.220 0.015 1.742 1.00 0.00 H new ATOM 0 HG21 VAL A 18 5.757 -1.777 1.995 1.00 0.00 H new ATOM 0 HG22 VAL A 18 7.350 -2.115 2.714 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.896 -2.097 3.740 1.00 0.00 H new ATOM 298 N ALA A 19 8.542 2.140 3.894 1.00 0.00 N ATOM 299 CA ALA A 19 8.807 3.565 4.022 1.00 0.00 C ATOM 300 C ALA A 19 9.233 4.129 2.675 1.00 0.00 C ATOM 301 O ALA A 19 9.971 3.493 1.927 1.00 0.00 O ATOM 302 CB ALA A 19 9.910 3.818 5.047 1.00 0.00 C ATOM 0 H ALA A 19 9.110 1.665 3.192 1.00 0.00 H new ATOM 0 HA ALA A 19 7.895 4.058 4.358 1.00 0.00 H new ATOM 0 HB1 ALA A 19 10.093 4.890 5.128 1.00 0.00 H new ATOM 0 HB2 ALA A 19 9.601 3.428 6.017 1.00 0.00 H new ATOM 0 HB3 ALA A 19 10.824 3.317 4.729 1.00 0.00 H new ATOM 308 N ARG A 20 8.753 5.333 2.370 1.00 0.00 N ATOM 309 CA ARG A 20 9.067 6.006 1.098 1.00 0.00 C ATOM 310 C ARG A 20 10.537 5.836 0.690 1.00 0.00 C ATOM 311 O ARG A 20 10.866 5.828 -0.496 1.00 0.00 O ATOM 312 CB ARG A 20 8.753 7.493 1.206 1.00 0.00 C ATOM 313 CG ARG A 20 8.461 8.059 -0.186 1.00 0.00 C ATOM 314 CD ARG A 20 8.951 9.506 -0.264 1.00 0.00 C ATOM 315 NE ARG A 20 10.298 9.564 -0.823 1.00 0.00 N ATOM 316 CZ ARG A 20 10.510 9.379 -2.123 1.00 0.00 C ATOM 317 NH1 ARG A 20 10.030 10.229 -2.989 1.00 0.00 N ATOM 318 NH2 ARG A 20 11.197 8.349 -2.532 1.00 0.00 N ATOM 0 H ARG A 20 8.142 5.870 2.985 1.00 0.00 H new ATOM 0 HA ARG A 20 8.450 5.538 0.331 1.00 0.00 H new ATOM 0 HB2 ARG A 20 7.894 7.647 1.860 1.00 0.00 H new ATOM 0 HB3 ARG A 20 9.594 8.021 1.655 1.00 0.00 H new ATOM 0 HG2 ARG A 20 8.956 7.455 -0.946 1.00 0.00 H new ATOM 0 HG3 ARG A 20 7.391 8.015 -0.391 1.00 0.00 H new ATOM 0 HD2 ARG A 20 8.270 10.093 -0.880 1.00 0.00 H new ATOM 0 HD3 ARG A 20 8.945 9.952 0.731 1.00 0.00 H new ATOM 0 HE ARG A 20 11.089 9.749 -0.207 1.00 0.00 H new ATOM 0 HH11 ARG A 20 9.493 11.035 -2.669 1.00 0.00 H new ATOM 0 HH12 ARG A 20 10.192 10.088 -3.986 1.00 0.00 H new ATOM 0 HH21 ARG A 20 11.572 7.685 -1.855 1.00 0.00 H new ATOM 0 HH22 ARG A 20 11.359 8.208 -3.529 1.00 0.00 H new ATOM 332 N ALA A 21 11.413 5.700 1.683 1.00 0.00 N ATOM 333 CA ALA A 21 12.836 5.528 1.408 1.00 0.00 C ATOM 334 C ALA A 21 13.095 4.235 0.640 1.00 0.00 C ATOM 335 O ALA A 21 13.579 4.256 -0.491 1.00 0.00 O ATOM 336 CB ALA A 21 13.633 5.501 2.713 1.00 0.00 C ATOM 0 H ALA A 21 11.166 5.705 2.673 1.00 0.00 H new ATOM 0 HA ALA A 21 13.157 6.373 0.799 1.00 0.00 H new ATOM 0 HB1 ALA A 21 14.692 5.372 2.490 1.00 0.00 H new ATOM 0 HB2 ALA A 21 13.486 6.439 3.248 1.00 0.00 H new ATOM 0 HB3 ALA A 21 13.289 4.672 3.332 1.00 0.00 H new ATOM 342 N ASN A 22 12.780 3.107 1.271 1.00 0.00 N ATOM 343 CA ASN A 22 12.999 1.808 0.643 1.00 0.00 C ATOM 344 C ASN A 22 11.984 1.531 -0.473 1.00 0.00 C ATOM 345 O ASN A 22 12.131 0.567 -1.221 1.00 0.00 O ATOM 346 CB ASN A 22 12.953 0.688 1.701 1.00 0.00 C ATOM 347 CG ASN A 22 11.527 0.432 2.199 1.00 0.00 C ATOM 348 OD1 ASN A 22 10.591 1.136 1.828 1.00 0.00 O ATOM 349 ND2 ASN A 22 11.309 -0.554 3.024 1.00 0.00 N ATOM 0 H ASN A 22 12.376 3.066 2.207 1.00 0.00 H new ATOM 0 HA ASN A 22 13.988 1.828 0.186 1.00 0.00 H new ATOM 0 HB2 ASN A 22 13.360 -0.230 1.276 1.00 0.00 H new ATOM 0 HB3 ASN A 22 13.589 0.958 2.544 1.00 0.00 H new ATOM 0 HD21 ASN A 22 10.364 -0.739 3.359 1.00 0.00 H new ATOM 0 HD22 ASN A 22 12.084 -1.140 3.334 1.00 0.00 H new ATOM 356 N VAL A 23 10.958 2.375 -0.589 1.00 0.00 N ATOM 357 CA VAL A 23 9.958 2.172 -1.634 1.00 0.00 C ATOM 358 C VAL A 23 10.556 2.519 -2.992 1.00 0.00 C ATOM 359 O VAL A 23 11.210 3.548 -3.160 1.00 0.00 O ATOM 360 CB VAL A 23 8.716 3.035 -1.382 1.00 0.00 C ATOM 361 CG1 VAL A 23 7.642 2.721 -2.429 1.00 0.00 C ATOM 362 CG2 VAL A 23 8.159 2.740 0.021 1.00 0.00 C ATOM 0 H VAL A 23 10.800 3.185 0.011 1.00 0.00 H new ATOM 0 HA VAL A 23 9.657 1.124 -1.621 1.00 0.00 H new ATOM 0 HB VAL A 23 8.993 4.087 -1.453 1.00 0.00 H new ATOM 0 HG11 VAL A 23 6.762 3.338 -2.244 1.00 0.00 H new ATOM 0 HG12 VAL A 23 8.031 2.934 -3.425 1.00 0.00 H new ATOM 0 HG13 VAL A 23 7.367 1.668 -2.364 1.00 0.00 H new ATOM 0 HG21 VAL A 23 7.276 3.354 0.199 1.00 0.00 H new ATOM 0 HG22 VAL A 23 7.888 1.687 0.091 1.00 0.00 H new ATOM 0 HG23 VAL A 23 8.917 2.970 0.769 1.00 0.00 H new ATOM 372 N LYS A 24 10.328 1.638 -3.957 1.00 0.00 N ATOM 373 CA LYS A 24 10.850 1.837 -5.305 1.00 0.00 C ATOM 374 C LYS A 24 9.853 2.613 -6.154 1.00 0.00 C ATOM 375 O LYS A 24 10.183 3.644 -6.740 1.00 0.00 O ATOM 376 CB LYS A 24 11.122 0.490 -5.975 1.00 0.00 C ATOM 377 CG LYS A 24 12.155 0.672 -7.089 1.00 0.00 C ATOM 378 CD LYS A 24 12.062 -0.502 -8.068 1.00 0.00 C ATOM 379 CE LYS A 24 12.452 -0.030 -9.470 1.00 0.00 C ATOM 380 NZ LYS A 24 13.928 -0.138 -9.638 1.00 0.00 N ATOM 0 H LYS A 24 9.788 0.782 -3.834 1.00 0.00 H new ATOM 0 HA LYS A 24 11.779 2.402 -5.225 1.00 0.00 H new ATOM 0 HB2 LYS A 24 11.488 -0.227 -5.239 1.00 0.00 H new ATOM 0 HB3 LYS A 24 10.198 0.083 -6.385 1.00 0.00 H new ATOM 0 HG2 LYS A 24 11.979 1.611 -7.613 1.00 0.00 H new ATOM 0 HG3 LYS A 24 13.157 0.727 -6.665 1.00 0.00 H new ATOM 0 HD2 LYS A 24 12.721 -1.309 -7.748 1.00 0.00 H new ATOM 0 HD3 LYS A 24 11.048 -0.903 -8.077 1.00 0.00 H new ATOM 0 HE2 LYS A 24 11.945 -0.633 -10.223 1.00 0.00 H new ATOM 0 HE3 LYS A 24 12.133 1.001 -9.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 14.193 0.183 -10.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 14.403 0.456 -8.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 14.220 -1.128 -9.512 1.00 0.00 H new ATOM 394 N HIS A 25 8.628 2.102 -6.219 1.00 0.00 N ATOM 395 CA HIS A 25 7.590 2.761 -7.011 1.00 0.00 C ATOM 396 C HIS A 25 6.208 2.478 -6.435 1.00 0.00 C ATOM 397 O HIS A 25 6.024 1.549 -5.647 1.00 0.00 O ATOM 398 CB HIS A 25 7.634 2.273 -8.460 1.00 0.00 C ATOM 399 CG HIS A 25 8.696 3.027 -9.211 1.00 0.00 C ATOM 400 ND1 HIS A 25 8.801 4.408 -9.155 1.00 0.00 N ATOM 401 CD2 HIS A 25 9.707 2.608 -10.040 1.00 0.00 C ATOM 402 CE1 HIS A 25 9.841 4.768 -9.929 1.00 0.00 C ATOM 403 NE2 HIS A 25 10.428 3.709 -10.492 1.00 0.00 N ATOM 0 H HIS A 25 8.331 1.250 -5.743 1.00 0.00 H new ATOM 0 HA HIS A 25 7.779 3.834 -6.980 1.00 0.00 H new ATOM 0 HB2 HIS A 25 7.843 1.204 -8.489 1.00 0.00 H new ATOM 0 HB3 HIS A 25 6.664 2.421 -8.934 1.00 0.00 H new ATOM 0 HD2 HIS A 25 9.912 1.580 -10.302 1.00 0.00 H new ATOM 0 HE1 HIS A 25 10.162 5.789 -10.077 1.00 0.00 H new ATOM 0 HE2 HIS A 25 11.233 3.707 -11.119 1.00 0.00 H new ATOM 411 N LEU A 26 5.235 3.290 -6.842 1.00 0.00 N ATOM 412 CA LEU A 26 3.867 3.118 -6.363 1.00 0.00 C ATOM 413 C LEU A 26 2.945 2.691 -7.496 1.00 0.00 C ATOM 414 O LEU A 26 3.039 3.186 -8.620 1.00 0.00 O ATOM 415 CB LEU A 26 3.316 4.417 -5.782 1.00 0.00 C ATOM 416 CG LEU A 26 3.920 4.695 -4.404 1.00 0.00 C ATOM 417 CD1 LEU A 26 3.358 6.012 -3.870 1.00 0.00 C ATOM 418 CD2 LEU A 26 3.550 3.570 -3.435 1.00 0.00 C ATOM 0 H LEU A 26 5.366 4.064 -7.494 1.00 0.00 H new ATOM 0 HA LEU A 26 3.900 2.349 -5.591 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.538 5.245 -6.455 1.00 0.00 H new ATOM 0 HB3 LEU A 26 2.231 4.354 -5.702 1.00 0.00 H new ATOM 0 HG LEU A 26 5.005 4.755 -4.493 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.784 6.218 -2.888 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.615 6.821 -4.554 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.274 5.938 -3.787 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.984 3.775 -2.456 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.465 3.509 -3.346 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.937 2.623 -3.812 1.00 0.00 H new ATOM 430 N LYS A 27 2.041 1.783 -7.170 1.00 0.00 N ATOM 431 CA LYS A 27 1.068 1.295 -8.146 1.00 0.00 C ATOM 432 C LYS A 27 -0.268 1.047 -7.453 1.00 0.00 C ATOM 433 O LYS A 27 -0.319 0.865 -6.240 1.00 0.00 O ATOM 434 CB LYS A 27 1.556 -0.005 -8.793 1.00 0.00 C ATOM 435 CG LYS A 27 2.296 0.317 -10.093 1.00 0.00 C ATOM 436 CD LYS A 27 3.258 -0.825 -10.430 1.00 0.00 C ATOM 437 CE LYS A 27 3.591 -0.788 -11.923 1.00 0.00 C ATOM 438 NZ LYS A 27 4.535 -1.895 -12.248 1.00 0.00 N ATOM 0 H LYS A 27 1.956 1.367 -6.242 1.00 0.00 H new ATOM 0 HA LYS A 27 0.948 2.049 -8.924 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.216 -0.538 -8.109 1.00 0.00 H new ATOM 0 HB3 LYS A 27 0.710 -0.662 -8.997 1.00 0.00 H new ATOM 0 HG2 LYS A 27 1.582 0.457 -10.905 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.847 1.252 -9.988 1.00 0.00 H new ATOM 0 HD2 LYS A 27 4.170 -0.732 -9.841 1.00 0.00 H new ATOM 0 HD3 LYS A 27 2.807 -1.783 -10.171 1.00 0.00 H new ATOM 0 HE2 LYS A 27 2.680 -0.888 -12.513 1.00 0.00 H new ATOM 0 HE3 LYS A 27 4.036 0.172 -12.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 4.762 -1.871 -13.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 5.408 -1.780 -11.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 4.094 -2.807 -12.014 1.00 0.00 H new ATOM 452 N ILE A 28 -1.351 1.051 -8.226 1.00 0.00 N ATOM 453 CA ILE A 28 -2.675 0.830 -7.658 1.00 0.00 C ATOM 454 C ILE A 28 -3.508 -0.067 -8.570 1.00 0.00 C ATOM 455 O ILE A 28 -3.267 -0.149 -9.775 1.00 0.00 O ATOM 456 CB ILE A 28 -3.399 2.163 -7.468 1.00 0.00 C ATOM 457 CG1 ILE A 28 -2.520 3.110 -6.647 1.00 0.00 C ATOM 458 CG2 ILE A 28 -4.717 1.928 -6.730 1.00 0.00 C ATOM 459 CD1 ILE A 28 -3.157 4.500 -6.615 1.00 0.00 C ATOM 0 H ILE A 28 -1.338 1.203 -9.235 1.00 0.00 H new ATOM 0 HA ILE A 28 -2.551 0.342 -6.691 1.00 0.00 H new ATOM 0 HB ILE A 28 -3.601 2.607 -8.443 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -2.405 2.728 -5.633 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -1.522 3.166 -7.082 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -5.233 2.879 -6.595 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -5.345 1.254 -7.313 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -4.514 1.483 -5.756 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -2.531 5.174 -6.030 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -3.249 4.881 -7.632 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -4.145 4.437 -6.160 1.00 0.00 H new ATOM 471 N LEU A 29 -4.496 -0.731 -7.978 1.00 0.00 N ATOM 472 CA LEU A 29 -5.372 -1.616 -8.742 1.00 0.00 C ATOM 473 C LEU A 29 -6.831 -1.222 -8.534 1.00 0.00 C ATOM 474 O LEU A 29 -7.361 -1.307 -7.427 1.00 0.00 O ATOM 475 CB LEU A 29 -5.182 -3.069 -8.305 1.00 0.00 C ATOM 476 CG LEU A 29 -3.838 -3.586 -8.822 1.00 0.00 C ATOM 477 CD1 LEU A 29 -3.432 -4.832 -8.033 1.00 0.00 C ATOM 478 CD2 LEU A 29 -3.968 -3.943 -10.304 1.00 0.00 C ATOM 0 H LEU A 29 -4.710 -0.675 -6.982 1.00 0.00 H new ATOM 0 HA LEU A 29 -5.113 -1.520 -9.796 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -5.217 -3.140 -7.218 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -5.994 -3.685 -8.692 1.00 0.00 H new ATOM 0 HG LEU A 29 -3.079 -2.814 -8.697 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -2.475 -5.200 -8.402 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -3.342 -4.580 -6.976 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -4.190 -5.605 -8.158 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -3.012 -4.312 -10.675 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -4.727 -4.716 -10.427 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -4.258 -3.056 -10.868 1.00 0.00 H new ATOM 490 N ASN A 30 -7.472 -0.785 -9.614 1.00 0.00 N ATOM 491 CA ASN A 30 -8.871 -0.375 -9.543 1.00 0.00 C ATOM 492 C ASN A 30 -9.789 -1.588 -9.652 1.00 0.00 C ATOM 493 O ASN A 30 -10.282 -1.919 -10.730 1.00 0.00 O ATOM 494 CB ASN A 30 -9.202 0.604 -10.670 1.00 0.00 C ATOM 495 CG ASN A 30 -10.390 1.468 -10.262 1.00 0.00 C ATOM 496 OD1 ASN A 30 -11.527 0.997 -10.230 1.00 0.00 O ATOM 497 ND2 ASN A 30 -10.194 2.719 -9.943 1.00 0.00 N ATOM 0 H ASN A 30 -7.051 -0.706 -10.540 1.00 0.00 H new ATOM 0 HA ASN A 30 -9.028 0.114 -8.582 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -8.338 1.233 -10.885 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -9.433 0.058 -11.584 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -10.982 3.305 -9.668 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -9.252 3.110 -9.969 1.00 0.00 H new ATOM 504 N THR A 31 -10.014 -2.244 -8.519 1.00 0.00 N ATOM 505 CA THR A 31 -10.875 -3.422 -8.481 1.00 0.00 C ATOM 506 C THR A 31 -12.311 -3.009 -8.141 1.00 0.00 C ATOM 507 O THR A 31 -12.520 -2.057 -7.389 1.00 0.00 O ATOM 508 CB THR A 31 -10.369 -4.412 -7.423 1.00 0.00 C ATOM 509 OG1 THR A 31 -8.985 -4.189 -7.188 1.00 0.00 O ATOM 510 CG2 THR A 31 -10.576 -5.846 -7.911 1.00 0.00 C ATOM 0 H THR A 31 -9.614 -1.982 -7.618 1.00 0.00 H new ATOM 0 HA THR A 31 -10.856 -3.900 -9.461 1.00 0.00 H new ATOM 0 HB THR A 31 -10.927 -4.263 -6.498 1.00 0.00 H new ATOM 0 HG1 THR A 31 -8.863 -3.802 -6.296 1.00 0.00 H new ATOM 0 HG21 THR A 31 -10.215 -6.543 -7.155 1.00 0.00 H new ATOM 0 HG22 THR A 31 -11.637 -6.021 -8.088 1.00 0.00 H new ATOM 0 HG23 THR A 31 -10.024 -5.998 -8.838 1.00 0.00 H new ATOM 518 N PRO A 32 -13.323 -3.711 -8.679 1.00 0.00 N ATOM 519 CA PRO A 32 -14.736 -3.384 -8.402 1.00 0.00 C ATOM 520 C PRO A 32 -15.199 -3.932 -7.058 1.00 0.00 C ATOM 521 O PRO A 32 -15.941 -3.278 -6.326 1.00 0.00 O ATOM 522 CB PRO A 32 -15.473 -4.048 -9.557 1.00 0.00 C ATOM 523 CG PRO A 32 -14.580 -5.166 -10.070 1.00 0.00 C ATOM 524 CD PRO A 32 -13.156 -4.873 -9.589 1.00 0.00 C ATOM 0 HA PRO A 32 -14.914 -2.311 -8.334 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -16.433 -4.443 -9.226 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -15.681 -3.327 -10.347 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -14.920 -6.131 -9.696 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -14.615 -5.216 -11.158 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -12.725 -5.729 -9.070 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -12.493 -4.638 -10.421 1.00 0.00 H new ATOM 532 N ASN A 33 -14.738 -5.135 -6.737 1.00 0.00 N ATOM 533 CA ASN A 33 -15.093 -5.763 -5.472 1.00 0.00 C ATOM 534 C ASN A 33 -14.590 -4.914 -4.304 1.00 0.00 C ATOM 535 O ASN A 33 -15.184 -4.901 -3.226 1.00 0.00 O ATOM 536 CB ASN A 33 -14.480 -7.162 -5.374 1.00 0.00 C ATOM 537 CG ASN A 33 -15.458 -8.188 -5.935 1.00 0.00 C ATOM 538 OD1 ASN A 33 -16.671 -8.047 -5.780 1.00 0.00 O ATOM 539 ND2 ASN A 33 -14.998 -9.222 -6.585 1.00 0.00 N ATOM 0 H ASN A 33 -14.122 -5.691 -7.331 1.00 0.00 H new ATOM 0 HA ASN A 33 -16.179 -5.844 -5.426 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -13.541 -7.199 -5.927 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -14.247 -7.396 -4.335 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -15.644 -9.914 -6.965 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -13.993 -9.338 -6.713 1.00 0.00 H new ATOM 546 N CYS A 34 -13.488 -4.201 -4.539 1.00 0.00 N ATOM 547 CA CYS A 34 -12.907 -3.344 -3.510 1.00 0.00 C ATOM 548 C CYS A 34 -12.943 -1.887 -3.966 1.00 0.00 C ATOM 549 O CYS A 34 -13.463 -1.574 -5.037 1.00 0.00 O ATOM 550 CB CYS A 34 -11.456 -3.748 -3.233 1.00 0.00 C ATOM 551 SG CYS A 34 -11.430 -5.231 -2.195 1.00 0.00 S ATOM 0 H CYS A 34 -12.984 -4.201 -5.426 1.00 0.00 H new ATOM 0 HA CYS A 34 -13.491 -3.459 -2.597 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -10.935 -3.939 -4.171 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -10.929 -2.934 -2.736 1.00 0.00 H new ATOM 556 N ALA A 35 -12.389 -0.999 -3.146 1.00 0.00 N ATOM 557 CA ALA A 35 -12.371 0.422 -3.484 1.00 0.00 C ATOM 558 C ALA A 35 -11.109 0.771 -4.276 1.00 0.00 C ATOM 559 O ALA A 35 -11.148 0.913 -5.498 1.00 0.00 O ATOM 560 CB ALA A 35 -12.433 1.277 -2.215 1.00 0.00 C ATOM 0 H ALA A 35 -11.952 -1.232 -2.254 1.00 0.00 H new ATOM 0 HA ALA A 35 -13.246 0.633 -4.099 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -12.419 2.333 -2.486 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -13.351 1.055 -1.671 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -11.574 1.053 -1.583 1.00 0.00 H new ATOM 566 N LEU A 36 -9.992 0.904 -3.566 1.00 0.00 N ATOM 567 CA LEU A 36 -8.721 1.236 -4.209 1.00 0.00 C ATOM 568 C LEU A 36 -7.559 0.837 -3.307 1.00 0.00 C ATOM 569 O LEU A 36 -7.205 1.554 -2.371 1.00 0.00 O ATOM 570 CB LEU A 36 -8.636 2.739 -4.488 1.00 0.00 C ATOM 571 CG LEU A 36 -9.320 3.057 -5.826 1.00 0.00 C ATOM 572 CD1 LEU A 36 -10.719 3.621 -5.566 1.00 0.00 C ATOM 573 CD2 LEU A 36 -8.492 4.093 -6.592 1.00 0.00 C ATOM 0 H LEU A 36 -9.939 0.788 -2.554 1.00 0.00 H new ATOM 0 HA LEU A 36 -8.664 0.690 -5.150 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -9.115 3.296 -3.682 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -7.593 3.055 -4.518 1.00 0.00 H new ATOM 0 HG LEU A 36 -9.398 2.144 -6.416 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -11.203 3.846 -6.516 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -11.312 2.886 -5.022 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -10.639 4.533 -4.974 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -8.978 4.318 -7.541 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -8.412 5.005 -6.000 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -7.495 3.695 -6.781 1.00 0.00 H new ATOM 585 N GLN A 37 -6.966 -0.315 -3.603 1.00 0.00 N ATOM 586 CA GLN A 37 -5.839 -0.803 -2.815 1.00 0.00 C ATOM 587 C GLN A 37 -4.528 -0.377 -3.466 1.00 0.00 C ATOM 588 O GLN A 37 -4.248 -0.723 -4.615 1.00 0.00 O ATOM 589 CB GLN A 37 -5.879 -2.330 -2.708 1.00 0.00 C ATOM 590 CG GLN A 37 -7.252 -2.765 -2.186 1.00 0.00 C ATOM 591 CD GLN A 37 -7.411 -4.274 -2.336 1.00 0.00 C ATOM 592 OE1 GLN A 37 -6.703 -4.908 -3.117 1.00 0.00 O ATOM 593 NE2 GLN A 37 -8.316 -4.894 -1.630 1.00 0.00 N ATOM 0 H GLN A 37 -7.243 -0.923 -4.374 1.00 0.00 H new ATOM 0 HA GLN A 37 -5.908 -0.376 -1.815 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -5.689 -2.779 -3.683 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -5.094 -2.680 -2.037 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -7.359 -2.482 -1.139 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -8.040 -2.251 -2.737 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -8.904 -4.370 -0.982 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -8.435 -5.902 -1.726 1.00 0.00 H new ATOM 602 N ILE A 38 -3.730 0.387 -2.723 1.00 0.00 N ATOM 603 CA ILE A 38 -2.456 0.864 -3.250 1.00 0.00 C ATOM 604 C ILE A 38 -1.368 -0.188 -3.065 1.00 0.00 C ATOM 605 O ILE A 38 -1.043 -0.591 -1.945 1.00 0.00 O ATOM 606 CB ILE A 38 -2.016 2.159 -2.560 1.00 0.00 C ATOM 607 CG1 ILE A 38 -3.149 3.188 -2.622 1.00 0.00 C ATOM 608 CG2 ILE A 38 -0.781 2.722 -3.275 1.00 0.00 C ATOM 609 CD1 ILE A 38 -3.046 4.133 -1.423 1.00 0.00 C ATOM 0 H ILE A 38 -3.939 0.684 -1.770 1.00 0.00 H new ATOM 0 HA ILE A 38 -2.601 1.059 -4.312 1.00 0.00 H new ATOM 0 HB ILE A 38 -1.774 1.948 -1.518 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -3.090 3.755 -3.551 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -4.115 2.682 -2.618 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -0.466 3.644 -2.786 1.00 0.00 H new ATOM 0 HG22 ILE A 38 0.028 1.993 -3.232 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -1.027 2.930 -4.316 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -3.852 4.865 -1.467 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -3.127 3.559 -0.500 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -2.086 4.648 -1.447 1.00 0.00 H new ATOM 621 N VAL A 39 -0.790 -0.596 -4.184 1.00 0.00 N ATOM 622 CA VAL A 39 0.287 -1.574 -4.164 1.00 0.00 C ATOM 623 C VAL A 39 1.613 -0.839 -4.275 1.00 0.00 C ATOM 624 O VAL A 39 1.642 0.379 -4.463 1.00 0.00 O ATOM 625 CB VAL A 39 0.152 -2.569 -5.322 1.00 0.00 C ATOM 626 CG1 VAL A 39 -1.136 -3.377 -5.154 1.00 0.00 C ATOM 627 CG2 VAL A 39 0.106 -1.814 -6.650 1.00 0.00 C ATOM 0 H VAL A 39 -1.047 -0.267 -5.114 1.00 0.00 H new ATOM 0 HA VAL A 39 0.238 -2.135 -3.231 1.00 0.00 H new ATOM 0 HB VAL A 39 1.010 -3.242 -5.318 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.232 -4.084 -5.978 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.104 -3.921 -4.210 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.992 -2.702 -5.154 1.00 0.00 H new ATOM 0 HG21 VAL A 39 0.010 -2.526 -7.470 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.749 -1.138 -6.655 1.00 0.00 H new ATOM 0 HG23 VAL A 39 1.024 -1.239 -6.774 1.00 0.00 H new ATOM 637 N ALA A 40 2.708 -1.571 -4.142 1.00 0.00 N ATOM 638 CA ALA A 40 4.018 -0.941 -4.217 1.00 0.00 C ATOM 639 C ALA A 40 5.111 -1.954 -4.499 1.00 0.00 C ATOM 640 O ALA A 40 4.868 -3.154 -4.591 1.00 0.00 O ATOM 641 CB ALA A 40 4.339 -0.251 -2.897 1.00 0.00 C ATOM 0 H ALA A 40 2.719 -2.579 -3.985 1.00 0.00 H new ATOM 0 HA ALA A 40 3.983 -0.219 -5.033 1.00 0.00 H new ATOM 0 HB1 ALA A 40 5.321 0.218 -2.961 1.00 0.00 H new ATOM 0 HB2 ALA A 40 3.586 0.510 -2.692 1.00 0.00 H new ATOM 0 HB3 ALA A 40 4.340 -0.987 -2.093 1.00 0.00 H new ATOM 647 N ARG A 41 6.327 -1.435 -4.614 1.00 0.00 N ATOM 648 CA ARG A 41 7.495 -2.271 -4.862 1.00 0.00 C ATOM 649 C ARG A 41 8.676 -1.749 -4.048 1.00 0.00 C ATOM 650 O ARG A 41 9.147 -0.630 -4.264 1.00 0.00 O ATOM 651 CB ARG A 41 7.848 -2.271 -6.348 1.00 0.00 C ATOM 652 CG ARG A 41 8.991 -3.255 -6.611 1.00 0.00 C ATOM 653 CD ARG A 41 8.419 -4.662 -6.801 1.00 0.00 C ATOM 654 NE ARG A 41 7.988 -4.859 -8.182 1.00 0.00 N ATOM 655 CZ ARG A 41 8.485 -5.848 -8.920 1.00 0.00 C ATOM 656 NH1 ARG A 41 9.573 -5.658 -9.618 1.00 0.00 N ATOM 657 NH2 ARG A 41 7.887 -7.007 -8.947 1.00 0.00 N ATOM 0 H ARG A 41 6.530 -0.438 -4.539 1.00 0.00 H new ATOM 0 HA ARG A 41 7.268 -3.294 -4.561 1.00 0.00 H new ATOM 0 HB2 ARG A 41 6.975 -2.548 -6.938 1.00 0.00 H new ATOM 0 HB3 ARG A 41 8.140 -1.269 -6.662 1.00 0.00 H new ATOM 0 HG2 ARG A 41 9.547 -2.954 -7.499 1.00 0.00 H new ATOM 0 HG3 ARG A 41 9.693 -3.246 -5.777 1.00 0.00 H new ATOM 0 HD2 ARG A 41 9.172 -5.405 -6.540 1.00 0.00 H new ATOM 0 HD3 ARG A 41 7.576 -4.812 -6.126 1.00 0.00 H new ATOM 0 HE ARG A 41 7.296 -4.229 -8.587 1.00 0.00 H new ATOM 0 HH11 ARG A 41 10.041 -4.752 -9.597 1.00 0.00 H new ATOM 0 HH12 ARG A 41 9.955 -6.416 -10.184 1.00 0.00 H new ATOM 0 HH21 ARG A 41 7.038 -7.155 -8.402 1.00 0.00 H new ATOM 0 HH22 ARG A 41 8.269 -7.765 -9.513 1.00 0.00 H new ATOM 671 N LEU A 42 9.129 -2.567 -3.093 1.00 0.00 N ATOM 672 CA LEU A 42 10.237 -2.187 -2.219 1.00 0.00 C ATOM 673 C LEU A 42 11.583 -2.381 -2.913 1.00 0.00 C ATOM 674 O LEU A 42 11.702 -3.145 -3.873 1.00 0.00 O ATOM 675 CB LEU A 42 10.223 -3.020 -0.934 1.00 0.00 C ATOM 676 CG LEU A 42 8.806 -3.084 -0.350 1.00 0.00 C ATOM 677 CD1 LEU A 42 8.820 -3.952 0.907 1.00 0.00 C ATOM 678 CD2 LEU A 42 8.330 -1.675 0.014 1.00 0.00 C ATOM 0 H LEU A 42 8.745 -3.494 -2.908 1.00 0.00 H new ATOM 0 HA LEU A 42 10.107 -1.132 -1.977 1.00 0.00 H new ATOM 0 HB2 LEU A 42 10.582 -4.028 -1.143 1.00 0.00 H new ATOM 0 HB3 LEU A 42 10.904 -2.584 -0.203 1.00 0.00 H new ATOM 0 HG LEU A 42 8.129 -3.512 -1.090 1.00 0.00 H new ATOM 0 HD11 LEU A 42 7.815 -4.001 1.327 1.00 0.00 H new ATOM 0 HD12 LEU A 42 9.156 -4.957 0.651 1.00 0.00 H new ATOM 0 HD13 LEU A 42 9.499 -3.518 1.641 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.323 -1.727 0.428 1.00 0.00 H new ATOM 0 HD22 LEU A 42 9.005 -1.243 0.753 1.00 0.00 H new ATOM 0 HD23 LEU A 42 8.323 -1.051 -0.880 1.00 0.00 H new ATOM 690 N LYS A 43 12.588 -1.666 -2.407 1.00 0.00 N ATOM 691 CA LYS A 43 13.939 -1.729 -2.968 1.00 0.00 C ATOM 692 C LYS A 43 14.863 -2.583 -2.102 1.00 0.00 C ATOM 693 O LYS A 43 15.641 -3.390 -2.610 1.00 0.00 O ATOM 694 CB LYS A 43 14.531 -0.315 -3.069 1.00 0.00 C ATOM 695 CG LYS A 43 14.340 0.227 -4.485 1.00 0.00 C ATOM 696 CD LYS A 43 15.561 -0.124 -5.337 1.00 0.00 C ATOM 697 CE LYS A 43 15.304 -1.434 -6.082 1.00 0.00 C ATOM 698 NZ LYS A 43 16.382 -1.653 -7.087 1.00 0.00 N ATOM 0 H LYS A 43 12.493 -1.037 -1.610 1.00 0.00 H new ATOM 0 HA LYS A 43 13.863 -2.181 -3.957 1.00 0.00 H new ATOM 0 HB2 LYS A 43 14.046 0.344 -2.349 1.00 0.00 H new ATOM 0 HB3 LYS A 43 15.591 -0.336 -2.818 1.00 0.00 H new ATOM 0 HG2 LYS A 43 13.440 -0.197 -4.929 1.00 0.00 H new ATOM 0 HG3 LYS A 43 14.202 1.308 -4.456 1.00 0.00 H new ATOM 0 HD2 LYS A 43 15.764 0.677 -6.048 1.00 0.00 H new ATOM 0 HD3 LYS A 43 16.443 -0.220 -4.704 1.00 0.00 H new ATOM 0 HE2 LYS A 43 15.274 -2.265 -5.378 1.00 0.00 H new ATOM 0 HE3 LYS A 43 14.333 -1.400 -6.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 16.208 -2.544 -7.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 16.390 -0.864 -7.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 17.302 -1.704 -6.604 1.00 0.00 H new ATOM 712 N ASN A 44 14.783 -2.379 -0.786 1.00 0.00 N ATOM 713 CA ASN A 44 15.630 -3.115 0.166 1.00 0.00 C ATOM 714 C ASN A 44 15.687 -4.609 -0.159 1.00 0.00 C ATOM 715 O ASN A 44 16.719 -5.258 0.007 1.00 0.00 O ATOM 716 CB ASN A 44 15.102 -2.941 1.591 1.00 0.00 C ATOM 717 CG ASN A 44 13.631 -3.339 1.641 1.00 0.00 C ATOM 718 OD1 ASN A 44 12.806 -2.788 0.912 1.00 0.00 O ATOM 719 ND2 ASN A 44 13.248 -4.272 2.469 1.00 0.00 N ATOM 0 H ASN A 44 14.144 -1.713 -0.352 1.00 0.00 H new ATOM 0 HA ASN A 44 16.636 -2.702 0.084 1.00 0.00 H new ATOM 0 HB2 ASN A 44 15.680 -3.555 2.282 1.00 0.00 H new ATOM 0 HB3 ASN A 44 15.221 -1.906 1.910 1.00 0.00 H new ATOM 0 HD21 ASN A 44 12.266 -4.544 2.512 1.00 0.00 H new ATOM 0 HD22 ASN A 44 13.931 -4.729 3.073 1.00 0.00 H new ATOM 726 N ASN A 45 14.562 -5.143 -0.621 1.00 0.00 N ATOM 727 CA ASN A 45 14.489 -6.563 -0.964 1.00 0.00 C ATOM 728 C ASN A 45 14.161 -6.765 -2.445 1.00 0.00 C ATOM 729 O ASN A 45 14.470 -7.806 -3.023 1.00 0.00 O ATOM 730 CB ASN A 45 13.423 -7.257 -0.116 1.00 0.00 C ATOM 731 CG ASN A 45 12.062 -6.608 -0.349 1.00 0.00 C ATOM 732 OD1 ASN A 45 11.594 -6.517 -1.484 1.00 0.00 O ATOM 733 ND2 ASN A 45 11.392 -6.149 0.671 1.00 0.00 N ATOM 0 H ASN A 45 13.696 -4.624 -0.766 1.00 0.00 H new ATOM 0 HA ASN A 45 15.467 -7.000 -0.761 1.00 0.00 H new ATOM 0 HB2 ASN A 45 13.378 -8.316 -0.370 1.00 0.00 H new ATOM 0 HB3 ASN A 45 13.689 -7.194 0.939 1.00 0.00 H new ATOM 0 HD21 ASN A 45 10.480 -5.715 0.528 1.00 0.00 H new ATOM 0 HD22 ASN A 45 11.780 -6.224 1.611 1.00 0.00 H new ATOM 740 N ASN A 46 13.516 -5.763 -3.050 1.00 0.00 N ATOM 741 CA ASN A 46 13.124 -5.834 -4.463 1.00 0.00 C ATOM 742 C ASN A 46 11.922 -6.760 -4.613 1.00 0.00 C ATOM 743 O ASN A 46 12.012 -7.846 -5.187 1.00 0.00 O ATOM 744 CB ASN A 46 14.274 -6.337 -5.356 1.00 0.00 C ATOM 745 CG ASN A 46 15.564 -5.607 -4.997 1.00 0.00 C ATOM 746 OD1 ASN A 46 16.293 -6.025 -4.099 1.00 0.00 O ATOM 747 ND2 ASN A 46 15.893 -4.527 -5.652 1.00 0.00 N ATOM 0 H ASN A 46 13.254 -4.894 -2.585 1.00 0.00 H new ATOM 0 HA ASN A 46 12.867 -4.825 -4.787 1.00 0.00 H new ATOM 0 HB2 ASN A 46 14.405 -7.411 -5.225 1.00 0.00 H new ATOM 0 HB3 ASN A 46 14.031 -6.171 -6.406 1.00 0.00 H new ATOM 0 HD21 ASN A 46 16.753 -4.031 -5.419 1.00 0.00 H new ATOM 0 HD22 ASN A 46 15.290 -4.179 -6.397 1.00 0.00 H new ATOM 754 N ARG A 47 10.790 -6.312 -4.077 1.00 0.00 N ATOM 755 CA ARG A 47 9.562 -7.098 -4.138 1.00 0.00 C ATOM 756 C ARG A 47 8.345 -6.178 -4.117 1.00 0.00 C ATOM 757 O ARG A 47 8.453 -4.997 -3.798 1.00 0.00 O ATOM 758 CB ARG A 47 9.490 -8.062 -2.946 1.00 0.00 C ATOM 759 CG ARG A 47 8.990 -9.427 -3.419 1.00 0.00 C ATOM 760 CD ARG A 47 8.445 -10.213 -2.227 1.00 0.00 C ATOM 761 NE ARG A 47 7.761 -11.423 -2.677 1.00 0.00 N ATOM 762 CZ ARG A 47 6.590 -11.780 -2.157 1.00 0.00 C ATOM 763 NH1 ARG A 47 6.446 -11.857 -0.862 1.00 0.00 N ATOM 764 NH2 ARG A 47 5.584 -12.054 -2.942 1.00 0.00 N ATOM 0 H ARG A 47 10.698 -5.416 -3.599 1.00 0.00 H new ATOM 0 HA ARG A 47 9.565 -7.670 -5.066 1.00 0.00 H new ATOM 0 HB2 ARG A 47 10.474 -8.163 -2.487 1.00 0.00 H new ATOM 0 HB3 ARG A 47 8.822 -7.663 -2.183 1.00 0.00 H new ATOM 0 HG2 ARG A 47 8.211 -9.300 -4.171 1.00 0.00 H new ATOM 0 HG3 ARG A 47 9.802 -9.980 -3.892 1.00 0.00 H new ATOM 0 HD2 ARG A 47 9.262 -10.479 -1.556 1.00 0.00 H new ATOM 0 HD3 ARG A 47 7.755 -9.589 -1.658 1.00 0.00 H new ATOM 0 HE ARG A 47 8.188 -12.002 -3.400 1.00 0.00 H new ATOM 0 HH11 ARG A 47 7.232 -11.643 -0.248 1.00 0.00 H new ATOM 0 HH12 ARG A 47 5.548 -12.131 -0.464 1.00 0.00 H new ATOM 0 HH21 ARG A 47 5.696 -11.994 -3.954 1.00 0.00 H new ATOM 0 HH22 ARG A 47 4.686 -12.328 -2.543 1.00 0.00 H new ATOM 778 N GLN A 48 7.186 -6.733 -4.464 1.00 0.00 N ATOM 779 CA GLN A 48 5.953 -5.949 -4.485 1.00 0.00 C ATOM 780 C GLN A 48 5.180 -6.118 -3.181 1.00 0.00 C ATOM 781 O GLN A 48 5.027 -7.231 -2.676 1.00 0.00 O ATOM 782 CB GLN A 48 5.064 -6.386 -5.651 1.00 0.00 C ATOM 783 CG GLN A 48 3.886 -5.418 -5.789 1.00 0.00 C ATOM 784 CD GLN A 48 2.710 -6.138 -6.439 1.00 0.00 C ATOM 785 OE1 GLN A 48 2.757 -6.475 -7.623 1.00 0.00 O ATOM 786 NE2 GLN A 48 1.646 -6.396 -5.729 1.00 0.00 N ATOM 0 H GLN A 48 7.074 -7.711 -4.732 1.00 0.00 H new ATOM 0 HA GLN A 48 6.227 -4.901 -4.605 1.00 0.00 H new ATOM 0 HB2 GLN A 48 5.642 -6.405 -6.575 1.00 0.00 H new ATOM 0 HB3 GLN A 48 4.698 -7.399 -5.483 1.00 0.00 H new ATOM 0 HG2 GLN A 48 3.597 -5.038 -4.809 1.00 0.00 H new ATOM 0 HG3 GLN A 48 4.177 -4.557 -6.391 1.00 0.00 H new ATOM 0 HE21 GLN A 48 1.607 -6.117 -4.749 1.00 0.00 H new ATOM 0 HE22 GLN A 48 0.853 -6.877 -6.154 1.00 0.00 H new ATOM 795 N VAL A 49 4.689 -5.002 -2.639 1.00 0.00 N ATOM 796 CA VAL A 49 3.925 -5.055 -1.387 1.00 0.00 C ATOM 797 C VAL A 49 2.844 -3.985 -1.360 1.00 0.00 C ATOM 798 O VAL A 49 2.969 -2.938 -1.988 1.00 0.00 O ATOM 799 CB VAL A 49 4.834 -4.834 -0.176 1.00 0.00 C ATOM 800 CG1 VAL A 49 5.742 -6.046 0.017 1.00 0.00 C ATOM 801 CG2 VAL A 49 5.684 -3.582 -0.399 1.00 0.00 C ATOM 0 H VAL A 49 4.802 -4.069 -3.035 1.00 0.00 H new ATOM 0 HA VAL A 49 3.472 -6.045 -1.338 1.00 0.00 H new ATOM 0 HB VAL A 49 4.222 -4.702 0.716 1.00 0.00 H new ATOM 0 HG11 VAL A 49 6.387 -5.883 0.880 1.00 0.00 H new ATOM 0 HG12 VAL A 49 5.133 -6.935 0.181 1.00 0.00 H new ATOM 0 HG13 VAL A 49 6.355 -6.186 -0.873 1.00 0.00 H new ATOM 0 HG21 VAL A 49 6.332 -3.424 0.463 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.294 -3.711 -1.293 1.00 0.00 H new ATOM 0 HG23 VAL A 49 5.032 -2.718 -0.527 1.00 0.00 H new ATOM 811 N CYS A 50 1.790 -4.255 -0.595 1.00 0.00 N ATOM 812 CA CYS A 50 0.696 -3.301 -0.460 1.00 0.00 C ATOM 813 C CYS A 50 0.994 -2.367 0.703 1.00 0.00 C ATOM 814 O CYS A 50 1.147 -2.808 1.841 1.00 0.00 O ATOM 815 CB CYS A 50 -0.624 -4.027 -0.198 1.00 0.00 C ATOM 816 SG CYS A 50 -0.952 -5.187 -1.548 1.00 0.00 S ATOM 0 H CYS A 50 1.671 -5.118 -0.064 1.00 0.00 H new ATOM 0 HA CYS A 50 0.605 -2.735 -1.387 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -0.576 -4.561 0.751 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -1.438 -3.307 -0.117 1.00 0.00 H new ATOM 821 N ILE A 51 1.094 -1.074 0.411 1.00 0.00 N ATOM 822 CA ILE A 51 1.396 -0.106 1.463 1.00 0.00 C ATOM 823 C ILE A 51 0.133 0.289 2.205 1.00 0.00 C ATOM 824 O ILE A 51 -0.968 0.267 1.652 1.00 0.00 O ATOM 825 CB ILE A 51 2.055 1.154 0.902 1.00 0.00 C ATOM 826 CG1 ILE A 51 3.166 0.774 -0.078 1.00 0.00 C ATOM 827 CG2 ILE A 51 2.667 1.946 2.055 1.00 0.00 C ATOM 828 CD1 ILE A 51 3.683 2.036 -0.759 1.00 0.00 C ATOM 0 H ILE A 51 0.974 -0.678 -0.521 1.00 0.00 H new ATOM 0 HA ILE A 51 2.093 -0.590 2.148 1.00 0.00 H new ATOM 0 HB ILE A 51 1.305 1.751 0.383 1.00 0.00 H new ATOM 0 HG12 ILE A 51 3.977 0.272 0.449 1.00 0.00 H new ATOM 0 HG13 ILE A 51 2.788 0.073 -0.822 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.140 2.848 1.666 1.00 0.00 H new ATOM 0 HG22 ILE A 51 1.885 2.223 2.762 1.00 0.00 H new ATOM 0 HG23 ILE A 51 3.413 1.334 2.561 1.00 0.00 H new ATOM 0 HD11 ILE A 51 4.476 1.773 -1.459 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.868 2.519 -1.298 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.076 2.720 -0.007 1.00 0.00 H new ATOM 840 N ASP A 52 0.304 0.642 3.473 1.00 0.00 N ATOM 841 CA ASP A 52 -0.827 1.030 4.303 1.00 0.00 C ATOM 842 C ASP A 52 -1.239 2.474 3.997 1.00 0.00 C ATOM 843 O ASP A 52 -0.384 3.328 3.760 1.00 0.00 O ATOM 844 CB ASP A 52 -0.457 0.915 5.786 1.00 0.00 C ATOM 845 CG ASP A 52 -1.663 0.425 6.580 1.00 0.00 C ATOM 846 OD1 ASP A 52 -2.233 -0.581 6.194 1.00 0.00 O ATOM 847 OD2 ASP A 52 -1.999 1.065 7.563 1.00 0.00 O ATOM 0 H ASP A 52 1.208 0.667 3.945 1.00 0.00 H new ATOM 0 HA ASP A 52 -1.660 0.362 4.083 1.00 0.00 H new ATOM 0 HB2 ASP A 52 0.377 0.224 5.910 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -0.129 1.883 6.165 1.00 0.00 H new ATOM 852 N PRO A 53 -2.549 2.774 3.997 1.00 0.00 N ATOM 853 CA PRO A 53 -3.041 4.139 3.712 1.00 0.00 C ATOM 854 C PRO A 53 -2.851 5.089 4.893 1.00 0.00 C ATOM 855 O PRO A 53 -2.858 6.309 4.730 1.00 0.00 O ATOM 856 CB PRO A 53 -4.520 3.918 3.424 1.00 0.00 C ATOM 857 CG PRO A 53 -4.915 2.621 4.109 1.00 0.00 C ATOM 858 CD PRO A 53 -3.636 1.800 4.286 1.00 0.00 C ATOM 0 HA PRO A 53 -2.499 4.610 2.892 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -5.115 4.750 3.800 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -4.699 3.858 2.351 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -5.381 2.821 5.074 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -5.644 2.075 3.510 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -3.555 1.398 5.296 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -3.606 0.952 3.602 1.00 0.00 H new ATOM 866 N LYS A 54 -2.679 4.519 6.084 1.00 0.00 N ATOM 867 CA LYS A 54 -2.485 5.332 7.278 1.00 0.00 C ATOM 868 C LYS A 54 -0.997 5.527 7.585 1.00 0.00 C ATOM 869 O LYS A 54 -0.638 5.962 8.678 1.00 0.00 O ATOM 870 CB LYS A 54 -3.157 4.673 8.485 1.00 0.00 C ATOM 871 CG LYS A 54 -4.647 5.020 8.493 1.00 0.00 C ATOM 872 CD LYS A 54 -5.209 4.821 9.902 1.00 0.00 C ATOM 873 CE LYS A 54 -5.712 3.384 10.053 1.00 0.00 C ATOM 874 NZ LYS A 54 -4.593 2.436 9.785 1.00 0.00 N ATOM 0 H LYS A 54 -2.670 3.512 6.245 1.00 0.00 H new ATOM 0 HA LYS A 54 -2.936 6.305 7.086 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -3.025 3.592 8.443 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -2.688 5.016 9.407 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -4.793 6.052 8.174 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -5.182 4.389 7.784 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -4.439 5.028 10.645 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -6.023 5.523 10.083 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -6.103 3.228 11.059 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -6.533 3.200 9.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -4.808 1.515 10.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -4.476 2.318 8.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -3.714 2.813 10.193 1.00 0.00 H new ATOM 888 N LEU A 55 -0.129 5.211 6.617 1.00 0.00 N ATOM 889 CA LEU A 55 1.307 5.376 6.831 1.00 0.00 C ATOM 890 C LEU A 55 1.636 6.849 7.030 1.00 0.00 C ATOM 891 O LEU A 55 0.863 7.730 6.654 1.00 0.00 O ATOM 892 CB LEU A 55 2.104 4.816 5.648 1.00 0.00 C ATOM 893 CG LEU A 55 2.661 3.430 6.003 1.00 0.00 C ATOM 894 CD1 LEU A 55 3.406 2.844 4.799 1.00 0.00 C ATOM 895 CD2 LEU A 55 3.621 3.546 7.193 1.00 0.00 C ATOM 0 H LEU A 55 -0.390 4.848 5.700 1.00 0.00 H new ATOM 0 HA LEU A 55 1.587 4.820 7.726 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.465 4.746 4.768 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.921 5.492 5.396 1.00 0.00 H new ATOM 0 HG LEU A 55 1.834 2.772 6.269 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.799 1.861 5.058 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.720 2.751 3.957 1.00 0.00 H new ATOM 0 HD13 LEU A 55 4.230 3.503 4.525 1.00 0.00 H new ATOM 0 HD21 LEU A 55 4.014 2.560 7.441 1.00 0.00 H new ATOM 0 HD22 LEU A 55 4.445 4.210 6.932 1.00 0.00 H new ATOM 0 HD23 LEU A 55 3.087 3.951 8.053 1.00 0.00 H new ATOM 907 N LYS A 56 2.778 7.105 7.656 1.00 0.00 N ATOM 908 CA LYS A 56 3.186 8.473 7.937 1.00 0.00 C ATOM 909 C LYS A 56 3.660 9.193 6.682 1.00 0.00 C ATOM 910 O LYS A 56 3.407 10.385 6.512 1.00 0.00 O ATOM 911 CB LYS A 56 4.296 8.505 8.994 1.00 0.00 C ATOM 912 CG LYS A 56 5.526 7.742 8.489 1.00 0.00 C ATOM 913 CD LYS A 56 6.252 7.105 9.675 1.00 0.00 C ATOM 914 CE LYS A 56 6.987 8.188 10.465 1.00 0.00 C ATOM 915 NZ LYS A 56 7.701 7.565 11.617 1.00 0.00 N ATOM 0 H LYS A 56 3.432 6.390 7.976 1.00 0.00 H new ATOM 0 HA LYS A 56 2.307 8.993 8.319 1.00 0.00 H new ATOM 0 HB2 LYS A 56 4.565 9.537 9.219 1.00 0.00 H new ATOM 0 HB3 LYS A 56 3.938 8.060 9.922 1.00 0.00 H new ATOM 0 HG2 LYS A 56 5.224 6.973 7.778 1.00 0.00 H new ATOM 0 HG3 LYS A 56 6.196 8.420 7.960 1.00 0.00 H new ATOM 0 HD2 LYS A 56 5.538 6.592 10.319 1.00 0.00 H new ATOM 0 HD3 LYS A 56 6.959 6.355 9.322 1.00 0.00 H new ATOM 0 HE2 LYS A 56 7.697 8.705 9.820 1.00 0.00 H new ATOM 0 HE3 LYS A 56 6.279 8.935 10.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 8.201 8.301 12.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 7.013 7.091 12.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 8.387 6.868 11.264 1.00 0.00 H new ATOM 929 N TRP A 57 4.354 8.478 5.808 1.00 0.00 N ATOM 930 CA TRP A 57 4.840 9.105 4.588 1.00 0.00 C ATOM 931 C TRP A 57 3.776 9.063 3.502 1.00 0.00 C ATOM 932 O TRP A 57 3.729 9.938 2.633 1.00 0.00 O ATOM 933 CB TRP A 57 6.141 8.462 4.095 1.00 0.00 C ATOM 934 CG TRP A 57 5.939 7.038 3.680 1.00 0.00 C ATOM 935 CD1 TRP A 57 5.961 5.962 4.506 1.00 0.00 C ATOM 936 CD2 TRP A 57 5.710 6.519 2.342 1.00 0.00 C ATOM 937 NE1 TRP A 57 5.785 4.818 3.745 1.00 0.00 N ATOM 938 CE2 TRP A 57 5.622 5.112 2.410 1.00 0.00 C ATOM 939 CE3 TRP A 57 5.577 7.132 1.087 1.00 0.00 C ATOM 940 CZ2 TRP A 57 5.414 4.338 1.274 1.00 0.00 C ATOM 941 CZ3 TRP A 57 5.360 6.356 -0.064 1.00 0.00 C ATOM 942 CH2 TRP A 57 5.281 4.960 0.030 1.00 0.00 C ATOM 0 H TRP A 57 4.588 7.491 5.915 1.00 0.00 H new ATOM 0 HA TRP A 57 5.059 10.147 4.822 1.00 0.00 H new ATOM 0 HB2 TRP A 57 6.532 9.033 3.253 1.00 0.00 H new ATOM 0 HB3 TRP A 57 6.890 8.507 4.886 1.00 0.00 H new ATOM 0 HD1 TRP A 57 6.094 5.992 5.577 1.00 0.00 H new ATOM 0 HE1 TRP A 57 5.777 3.872 4.127 1.00 0.00 H new ATOM 0 HE3 TRP A 57 5.642 8.207 1.005 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 5.356 3.262 1.353 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 5.254 6.837 -1.025 1.00 0.00 H new ATOM 0 HH2 TRP A 57 5.118 4.366 -0.857 1.00 0.00 H new ATOM 953 N ILE A 58 2.908 8.055 3.556 1.00 0.00 N ATOM 954 CA ILE A 58 1.856 7.956 2.567 1.00 0.00 C ATOM 955 C ILE A 58 0.719 8.923 2.901 1.00 0.00 C ATOM 956 O ILE A 58 -0.076 9.258 2.027 1.00 0.00 O ATOM 957 CB ILE A 58 1.349 6.504 2.421 1.00 0.00 C ATOM 958 CG1 ILE A 58 2.438 5.719 1.642 1.00 0.00 C ATOM 959 CG2 ILE A 58 -0.013 6.464 1.678 1.00 0.00 C ATOM 960 CD1 ILE A 58 1.851 4.564 0.814 1.00 0.00 C ATOM 0 H ILE A 58 2.916 7.316 4.259 1.00 0.00 H new ATOM 0 HA ILE A 58 2.269 8.243 1.600 1.00 0.00 H new ATOM 0 HB ILE A 58 1.181 6.053 3.399 1.00 0.00 H new ATOM 0 HG12 ILE A 58 2.971 6.402 0.980 1.00 0.00 H new ATOM 0 HG13 ILE A 58 3.169 5.322 2.346 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.348 5.431 1.588 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.751 7.037 2.239 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.102 6.896 0.684 1.00 0.00 H new ATOM 0 HD11 ILE A 58 2.655 4.048 0.289 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.342 3.864 1.476 1.00 0.00 H new ATOM 0 HD13 ILE A 58 1.140 4.961 0.089 1.00 0.00 H new ATOM 972 N GLN A 59 0.640 9.386 4.154 1.00 0.00 N ATOM 973 CA GLN A 59 -0.418 10.322 4.497 1.00 0.00 C ATOM 974 C GLN A 59 -0.178 11.648 3.778 1.00 0.00 C ATOM 975 O GLN A 59 -1.120 12.359 3.433 1.00 0.00 O ATOM 976 CB GLN A 59 -0.523 10.549 6.010 1.00 0.00 C ATOM 977 CG GLN A 59 0.792 11.112 6.561 1.00 0.00 C ATOM 978 CD GLN A 59 0.514 12.356 7.403 1.00 0.00 C ATOM 979 OE1 GLN A 59 0.189 12.253 8.585 1.00 0.00 O ATOM 980 NE2 GLN A 59 0.623 13.536 6.858 1.00 0.00 N ATOM 0 H GLN A 59 1.272 9.136 4.915 1.00 0.00 H new ATOM 0 HA GLN A 59 -1.365 9.890 4.172 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -1.339 11.239 6.224 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -0.761 9.610 6.509 1.00 0.00 H new ATOM 0 HG2 GLN A 59 1.295 10.358 7.166 1.00 0.00 H new ATOM 0 HG3 GLN A 59 1.463 11.361 5.739 1.00 0.00 H new ATOM 0 HE21 GLN A 59 0.892 13.622 5.878 1.00 0.00 H new ATOM 0 HE22 GLN A 59 0.439 14.373 7.412 1.00 0.00 H new ATOM 989 N GLU A 60 1.097 11.959 3.524 1.00 0.00 N ATOM 990 CA GLU A 60 1.438 13.186 2.812 1.00 0.00 C ATOM 991 C GLU A 60 1.241 12.964 1.316 1.00 0.00 C ATOM 992 O GLU A 60 0.794 13.852 0.589 1.00 0.00 O ATOM 993 CB GLU A 60 2.892 13.579 3.076 1.00 0.00 C ATOM 994 CG GLU A 60 2.963 14.469 4.319 1.00 0.00 C ATOM 995 CD GLU A 60 4.213 15.339 4.251 1.00 0.00 C ATOM 996 OE1 GLU A 60 4.383 16.022 3.254 1.00 0.00 O ATOM 997 OE2 GLU A 60 4.983 15.311 5.198 1.00 0.00 O ATOM 0 H GLU A 60 1.895 11.386 3.797 1.00 0.00 H new ATOM 0 HA GLU A 60 0.791 13.989 3.165 1.00 0.00 H new ATOM 0 HB2 GLU A 60 3.501 12.686 3.220 1.00 0.00 H new ATOM 0 HB3 GLU A 60 3.299 14.107 2.214 1.00 0.00 H new ATOM 0 HG2 GLU A 60 2.074 15.096 4.382 1.00 0.00 H new ATOM 0 HG3 GLU A 60 2.983 13.854 5.219 1.00 0.00 H new ATOM 1004 N TYR A 61 1.568 11.751 0.875 1.00 0.00 N ATOM 1005 CA TYR A 61 1.419 11.382 -0.530 1.00 0.00 C ATOM 1006 C TYR A 61 -0.068 11.367 -0.894 1.00 0.00 C ATOM 1007 O TYR A 61 -0.497 11.998 -1.859 1.00 0.00 O ATOM 1008 CB TYR A 61 2.064 9.989 -0.765 1.00 0.00 C ATOM 1009 CG TYR A 61 1.467 9.271 -1.963 1.00 0.00 C ATOM 1010 CD1 TYR A 61 1.318 9.934 -3.186 1.00 0.00 C ATOM 1011 CD2 TYR A 61 1.054 7.941 -1.833 1.00 0.00 C ATOM 1012 CE1 TYR A 61 0.757 9.264 -4.280 1.00 0.00 C ATOM 1013 CE2 TYR A 61 0.492 7.271 -2.922 1.00 0.00 C ATOM 1014 CZ TYR A 61 0.343 7.931 -4.148 1.00 0.00 C ATOM 1015 OH TYR A 61 -0.212 7.271 -5.225 1.00 0.00 O ATOM 0 H TYR A 61 1.937 11.009 1.469 1.00 0.00 H new ATOM 0 HA TYR A 61 1.923 12.109 -1.167 1.00 0.00 H new ATOM 0 HB2 TYR A 61 3.137 10.109 -0.914 1.00 0.00 H new ATOM 0 HB3 TYR A 61 1.932 9.375 0.126 1.00 0.00 H new ATOM 0 HD1 TYR A 61 1.635 10.961 -3.286 1.00 0.00 H new ATOM 0 HD2 TYR A 61 1.170 7.431 -0.888 1.00 0.00 H new ATOM 0 HE1 TYR A 61 0.643 9.774 -5.225 1.00 0.00 H new ATOM 0 HE2 TYR A 61 0.173 6.245 -2.819 1.00 0.00 H new ATOM 0 HH TYR A 61 -0.443 6.355 -4.964 1.00 0.00 H new ATOM 1025 N LEU A 62 -0.839 10.631 -0.105 1.00 0.00 N ATOM 1026 CA LEU A 62 -2.269 10.521 -0.337 1.00 0.00 C ATOM 1027 C LEU A 62 -2.937 11.890 -0.227 1.00 0.00 C ATOM 1028 O LEU A 62 -3.966 12.147 -0.850 1.00 0.00 O ATOM 1029 CB LEU A 62 -2.884 9.566 0.686 1.00 0.00 C ATOM 1030 CG LEU A 62 -3.925 8.673 0.006 1.00 0.00 C ATOM 1031 CD1 LEU A 62 -3.921 7.292 0.664 1.00 0.00 C ATOM 1032 CD2 LEU A 62 -5.311 9.303 0.154 1.00 0.00 C ATOM 0 H LEU A 62 -0.498 10.103 0.698 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.430 10.133 -1.343 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -2.105 8.952 1.137 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.350 10.133 1.492 1.00 0.00 H new ATOM 0 HG LEU A 62 -3.682 8.572 -1.052 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -4.662 6.656 0.180 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.934 6.842 0.560 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -4.164 7.392 1.722 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -6.053 8.668 -0.330 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -5.554 9.404 1.212 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -5.315 10.287 -0.314 1.00 0.00 H new ATOM 1044 N GLU A 63 -2.335 12.765 0.573 1.00 0.00 N ATOM 1045 CA GLU A 63 -2.878 14.110 0.756 1.00 0.00 C ATOM 1046 C GLU A 63 -2.725 14.921 -0.527 1.00 0.00 C ATOM 1047 O GLU A 63 -3.578 15.741 -0.867 1.00 0.00 O ATOM 1048 CB GLU A 63 -2.156 14.834 1.895 1.00 0.00 C ATOM 1049 CG GLU A 63 -2.858 16.161 2.190 1.00 0.00 C ATOM 1050 CD GLU A 63 -2.698 16.505 3.667 1.00 0.00 C ATOM 1051 OE1 GLU A 63 -3.247 15.787 4.486 1.00 0.00 O ATOM 1052 OE2 GLU A 63 -2.028 17.482 3.957 1.00 0.00 O ATOM 0 H GLU A 63 -1.483 12.573 1.099 1.00 0.00 H new ATOM 0 HA GLU A 63 -3.935 14.015 1.005 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -2.148 14.209 2.788 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.116 15.014 1.623 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -2.434 16.954 1.573 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -3.915 16.090 1.935 1.00 0.00 H new ATOM 1059 N LYS A 64 -1.625 14.684 -1.235 1.00 0.00 N ATOM 1060 CA LYS A 64 -1.363 15.399 -2.482 1.00 0.00 C ATOM 1061 C LYS A 64 -2.058 14.708 -3.651 1.00 0.00 C ATOM 1062 O LYS A 64 -2.562 15.359 -4.566 1.00 0.00 O ATOM 1063 CB LYS A 64 0.140 15.457 -2.760 1.00 0.00 C ATOM 1064 CG LYS A 64 0.411 16.439 -3.903 1.00 0.00 C ATOM 1065 CD LYS A 64 0.468 15.677 -5.230 1.00 0.00 C ATOM 1066 CE LYS A 64 1.435 16.383 -6.183 1.00 0.00 C ATOM 1067 NZ LYS A 64 2.087 15.375 -7.066 1.00 0.00 N ATOM 0 H LYS A 64 -0.907 14.010 -0.971 1.00 0.00 H new ATOM 0 HA LYS A 64 -1.752 16.412 -2.376 1.00 0.00 H new ATOM 0 HB2 LYS A 64 0.675 15.770 -1.863 1.00 0.00 H new ATOM 0 HB3 LYS A 64 0.510 14.466 -3.022 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -0.373 17.196 -3.940 1.00 0.00 H new ATOM 0 HG3 LYS A 64 1.352 16.962 -3.731 1.00 0.00 H new ATOM 0 HD2 LYS A 64 0.794 14.651 -5.059 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -0.526 15.626 -5.675 1.00 0.00 H new ATOM 0 HE2 LYS A 64 0.899 17.117 -6.785 1.00 0.00 H new ATOM 0 HE3 LYS A 64 2.190 16.927 -5.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 2.744 15.854 -7.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 2.612 14.691 -6.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 1.361 14.875 -7.617 1.00 0.00 H new ATOM 1081 N ALA A 65 -2.079 13.378 -3.610 1.00 0.00 N ATOM 1082 CA ALA A 65 -2.714 12.603 -4.672 1.00 0.00 C ATOM 1083 C ALA A 65 -4.232 12.650 -4.534 1.00 0.00 C ATOM 1084 O ALA A 65 -4.960 12.693 -5.525 1.00 0.00 O ATOM 1085 CB ALA A 65 -2.253 11.145 -4.621 1.00 0.00 C ATOM 0 H ALA A 65 -1.668 12.820 -2.862 1.00 0.00 H new ATOM 0 HA ALA A 65 -2.423 13.042 -5.627 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -2.736 10.582 -5.420 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.171 11.101 -4.749 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -2.522 10.712 -3.658 1.00 0.00 H new ATOM 1091 N LEU A 66 -4.699 12.640 -3.289 1.00 0.00 N ATOM 1092 CA LEU A 66 -6.135 12.681 -3.019 1.00 0.00 C ATOM 1093 C LEU A 66 -6.827 11.464 -3.629 1.00 0.00 C ATOM 1094 O LEU A 66 -7.232 11.479 -4.792 1.00 0.00 O ATOM 1095 CB LEU A 66 -6.757 13.962 -3.602 1.00 0.00 C ATOM 1096 CG LEU A 66 -7.745 14.584 -2.601 1.00 0.00 C ATOM 1097 CD1 LEU A 66 -8.859 13.583 -2.276 1.00 0.00 C ATOM 1098 CD2 LEU A 66 -7.004 14.975 -1.311 1.00 0.00 C ATOM 0 H LEU A 66 -4.111 12.604 -2.456 1.00 0.00 H new ATOM 0 HA LEU A 66 -6.275 12.673 -1.938 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -5.971 14.679 -3.840 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -7.272 13.732 -4.535 1.00 0.00 H new ATOM 0 HG LEU A 66 -8.186 15.476 -3.045 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -9.555 14.031 -1.566 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -9.391 13.322 -3.190 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -8.424 12.684 -1.840 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -7.709 15.415 -0.606 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -6.553 14.087 -0.867 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -6.224 15.700 -1.545 1.00 0.00 H new ATOM 1110 N ASN A 67 -6.957 10.408 -2.828 1.00 0.00 N ATOM 1111 CA ASN A 67 -7.601 9.181 -3.292 1.00 0.00 C ATOM 1112 C ASN A 67 -6.843 8.594 -4.479 1.00 0.00 C ATOM 1113 O ASN A 67 -7.415 7.769 -5.173 1.00 0.00 O ATOM 1114 CB ASN A 67 -9.046 9.457 -3.711 1.00 0.00 C ATOM 1115 CG ASN A 67 -9.902 8.224 -3.437 1.00 0.00 C ATOM 1116 OD1 ASN A 67 -9.908 7.278 -4.224 1.00 0.00 O ATOM 1117 ND2 ASN A 67 -10.631 8.178 -2.355 1.00 0.00 N ATOM 1118 OXT ASN A 67 -5.702 8.978 -4.677 1.00 0.00 O ATOM 0 H ASN A 67 -6.628 10.377 -1.863 1.00 0.00 H new ATOM 0 HA ASN A 67 -7.593 8.468 -2.468 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -9.437 10.313 -3.162 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -9.086 9.712 -4.770 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -11.206 7.358 -2.162 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -10.626 8.962 -1.703 1.00 0.00 H new TER 1125 ASN A 67