USER MOD reduce.3.24.130724 H: found=0, std=0, add=956, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 954 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 Single : A 1 ARG N :NH3+ 178:sc= -1.46! (180deg=-1.53!) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.86 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 40:sc= 0.768 USER MOD Single : A 12 GLN : amide:sc= -0.11 K(o=-0.11,f=-1.1) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.0545 USER MOD Single : A 16 ASN : amide:sc= -2.3! C(o=-2.3!,f=-8.1!) USER MOD Single : A 18 GLN : amide:sc= -0.429 K(o=-0.43,f=-3.5!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= 0.741 K(o=0.74,f=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 110:sc= -0.311 USER MOD Single : A 40 GLN : amide:sc= -0.484 X(o=-0.48,f=-0.21) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -0.213 K(o=-0.21,f=-1.3!) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= -0.134 USER MOD Single : A 60 THR OG1 : rot -17:sc= -0.267! USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -1.21 K(o=-1.2,f=-3.2!) USER MOD Single : A 65 ASN : amide:sc= -0.436 K(o=-0.44,f=0.069!) USER MOD Single : A 66 HIS : no HD1:sc= 0 X(o=0,f=-0.19) USER MOD Single : B 1 ARG N :NH3+ -165:sc= -1.54! (180deg=-1.58!) USER MOD Single : B 2 THR OG1 : rot 180:sc= 0 USER MOD Single : B 6 SER OG : rot 180:sc= -0.775 USER MOD Single : B 8 SER OG : rot 180:sc= 0 USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 10 THR OG1 : rot 41:sc= 0.753 USER MOD Single : B 12 GLN : amide:sc= -0.1 K(o=-0.1,f=-1.2) USER MOD Single : B 13 THR OG1 : rot 180:sc= 0.0497 USER MOD Single : B 16 ASN : amide:sc= -2.29! C(o=-2.3!,f=-8.1!) USER MOD Single : B 18 GLN : amide:sc= -0.303 K(o=-0.3,f=-3.5!) USER MOD Single : B 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 26 GLN : amide:sc= 0.74 K(o=0.74,f=0) USER MOD Single : B 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 32 SER OG : rot 180:sc= -0.31 USER MOD Single : B 40 GLN : amide:sc= -0.477 X(o=-0.48,f=-0.21) USER MOD Single : B 45 THR OG1 : rot 180:sc= 0 USER MOD Single : B 48 GLN : amide:sc= -0.186 K(o=-0.19,f=-1.3!) USER MOD Single : B 51 SER OG : rot 180:sc= 0 USER MOD Single : B 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 53 TYR OH : rot 180:sc= 0 USER MOD Single : B 55 SER OG : rot 180:sc= -0.0982 USER MOD Single : B 60 THR OG1 : rot -22:sc= -0.243! USER MOD Single : B 61 THR OG1 : rot 180:sc= 0 USER MOD Single : B 63 ASN : amide:sc= -1.25 K(o=-1.2,f=-3.3!) USER MOD Single : B 65 ASN : amide:sc= -0.447 K(o=-0.45,f=0.23!) USER MOD Single : B 66 HIS : no HD1:sc= 0 X(o=0,f=-0.21) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -17.957 -5.969 -0.535 1.00 0.22 N ATOM 2 CA ARG A 1 -18.446 -7.280 -1.052 1.00 0.18 C ATOM 3 C ARG A 1 -17.417 -7.906 -1.998 1.00 0.21 C ATOM 4 O ARG A 1 -17.355 -9.109 -2.154 1.00 0.33 O ATOM 5 CB ARG A 1 -19.730 -6.948 -1.815 1.00 0.27 C ATOM 6 CG ARG A 1 -20.144 -8.152 -2.662 1.00 0.33 C ATOM 7 CD ARG A 1 -20.454 -9.340 -1.749 1.00 0.49 C ATOM 8 NE ARG A 1 -21.888 -9.177 -1.382 1.00 0.64 N ATOM 9 CZ ARG A 1 -22.387 -9.854 -0.384 1.00 0.81 C ATOM 10 NH1 ARG A 1 -22.309 -11.157 -0.375 1.00 1.05 N ATOM 11 NH2 ARG A 1 -22.963 -9.229 0.608 1.00 0.81 N ATOM 0 H1 ARG A 1 -18.683 -5.545 0.078 1.00 0.22 H new ATOM 0 H2 ARG A 1 -17.085 -6.115 0.012 1.00 0.22 H new ATOM 0 H3 ARG A 1 -17.762 -5.332 -1.333 1.00 0.22 H new ATOM 0 HA ARG A 1 -18.614 -7.997 -0.249 1.00 0.18 H new ATOM 0 HB2 ARG A 1 -20.525 -6.691 -1.116 1.00 0.27 H new ATOM 0 HB3 ARG A 1 -19.573 -6.078 -2.452 1.00 0.27 H new ATOM 0 HG2 ARG A 1 -21.019 -7.903 -3.262 1.00 0.33 H new ATOM 0 HG3 ARG A 1 -19.345 -8.413 -3.356 1.00 0.33 H new ATOM 0 HD2 ARG A 1 -20.282 -10.287 -2.261 1.00 0.49 H new ATOM 0 HD3 ARG A 1 -19.817 -9.336 -0.865 1.00 0.49 H new ATOM 0 HE ARG A 1 -22.480 -8.536 -1.911 1.00 0.64 H new ATOM 0 HH11 ARG A 1 -21.858 -11.646 -1.148 1.00 1.05 H new ATOM 0 HH12 ARG A 1 -22.699 -11.686 0.405 1.00 1.05 H new ATOM 0 HH21 ARG A 1 -23.023 -8.211 0.603 1.00 0.81 H new ATOM 0 HH22 ARG A 1 -23.353 -9.759 1.387 1.00 0.81 H new ATOM 27 N THR A 2 -16.620 -7.100 -2.645 1.00 0.20 N ATOM 28 CA THR A 2 -15.609 -7.653 -3.594 1.00 0.25 C ATOM 29 C THR A 2 -14.418 -6.708 -3.728 1.00 0.20 C ATOM 30 O THR A 2 -14.489 -5.543 -3.387 1.00 0.25 O ATOM 31 CB THR A 2 -16.364 -7.782 -4.907 1.00 0.34 C ATOM 32 OG1 THR A 2 -17.326 -6.740 -5.003 1.00 0.37 O ATOM 33 CG2 THR A 2 -17.066 -9.137 -4.917 1.00 0.42 C ATOM 0 H THR A 2 -16.624 -6.084 -2.559 1.00 0.20 H new ATOM 0 HA THR A 2 -15.195 -8.605 -3.262 1.00 0.25 H new ATOM 0 HB THR A 2 -15.679 -7.707 -5.752 1.00 0.34 H new ATOM 0 HG1 THR A 2 -17.812 -6.821 -5.850 1.00 0.37 H new ATOM 0 HG21 THR A 2 -17.616 -9.255 -5.851 1.00 0.42 H new ATOM 0 HG22 THR A 2 -16.325 -9.931 -4.830 1.00 0.42 H new ATOM 0 HG23 THR A 2 -17.759 -9.194 -4.078 1.00 0.42 H new ATOM 41 N CYS A 3 -13.319 -7.210 -4.212 1.00 0.23 N ATOM 42 CA CYS A 3 -12.107 -6.355 -4.361 1.00 0.24 C ATOM 43 C CYS A 3 -11.407 -6.647 -5.693 1.00 0.24 C ATOM 44 O CYS A 3 -11.988 -7.205 -6.602 1.00 0.34 O ATOM 45 CB CYS A 3 -11.211 -6.735 -3.181 1.00 0.31 C ATOM 46 SG CYS A 3 -10.251 -5.289 -2.661 1.00 0.44 S ATOM 0 H CYS A 3 -13.205 -8.178 -4.512 1.00 0.23 H new ATOM 0 HA CYS A 3 -12.348 -5.292 -4.364 1.00 0.24 H new ATOM 0 HB2 CYS A 3 -11.818 -7.099 -2.352 1.00 0.31 H new ATOM 0 HB3 CYS A 3 -10.541 -7.546 -3.466 1.00 0.31 H new ATOM 51 N LEU A 4 -10.166 -6.267 -5.824 1.00 0.23 N ATOM 52 CA LEU A 4 -9.448 -6.512 -7.108 1.00 0.22 C ATOM 53 C LEU A 4 -8.234 -7.414 -6.893 1.00 0.32 C ATOM 54 O LEU A 4 -7.531 -7.309 -5.908 1.00 0.41 O ATOM 55 CB LEU A 4 -8.998 -5.128 -7.571 1.00 0.20 C ATOM 56 CG LEU A 4 -10.219 -4.317 -7.999 1.00 0.26 C ATOM 57 CD1 LEU A 4 -9.765 -2.961 -8.543 1.00 0.41 C ATOM 58 CD2 LEU A 4 -10.970 -5.080 -9.090 1.00 0.27 C ATOM 0 H LEU A 4 -9.619 -5.799 -5.101 1.00 0.23 H new ATOM 0 HA LEU A 4 -10.083 -7.014 -7.838 1.00 0.22 H new ATOM 0 HB2 LEU A 4 -8.471 -4.616 -6.766 1.00 0.20 H new ATOM 0 HB3 LEU A 4 -8.298 -5.220 -8.402 1.00 0.20 H new ATOM 0 HG LEU A 4 -10.875 -4.161 -7.143 1.00 0.26 H new ATOM 0 HD11 LEU A 4 -10.636 -2.381 -8.849 1.00 0.41 H new ATOM 0 HD12 LEU A 4 -9.224 -2.420 -7.767 1.00 0.41 H new ATOM 0 HD13 LEU A 4 -9.111 -3.114 -9.402 1.00 0.41 H new ATOM 0 HD21 LEU A 4 -11.843 -4.506 -9.400 1.00 0.27 H new ATOM 0 HD22 LEU A 4 -10.313 -5.232 -9.946 1.00 0.27 H new ATOM 0 HD23 LEU A 4 -11.290 -6.047 -8.703 1.00 0.27 H new ATOM 70 N ILE A 5 -7.980 -8.296 -7.818 1.00 0.33 N ATOM 71 CA ILE A 5 -6.809 -9.204 -7.684 1.00 0.43 C ATOM 72 C ILE A 5 -5.870 -9.025 -8.878 1.00 0.35 C ATOM 73 O ILE A 5 -6.281 -9.088 -10.021 1.00 0.56 O ATOM 74 CB ILE A 5 -7.406 -10.611 -7.665 1.00 0.55 C ATOM 75 CG1 ILE A 5 -8.445 -10.700 -6.544 1.00 0.76 C ATOM 76 CG2 ILE A 5 -6.298 -11.635 -7.420 1.00 0.72 C ATOM 77 CD1 ILE A 5 -9.562 -11.660 -6.952 1.00 0.66 C ATOM 0 H ILE A 5 -8.535 -8.427 -8.664 1.00 0.33 H new ATOM 0 HA ILE A 5 -6.221 -9.002 -6.789 1.00 0.43 H new ATOM 0 HB ILE A 5 -7.882 -10.820 -8.623 1.00 0.55 H new ATOM 0 HG12 ILE A 5 -7.973 -11.046 -5.624 1.00 0.76 H new ATOM 0 HG13 ILE A 5 -8.858 -9.712 -6.339 1.00 0.76 H new ATOM 0 HG21 ILE A 5 -6.726 -12.638 -7.407 1.00 0.72 H new ATOM 0 HG22 ILE A 5 -5.557 -11.567 -8.217 1.00 0.72 H new ATOM 0 HG23 ILE A 5 -5.820 -11.432 -6.462 1.00 0.72 H new ATOM 0 HD11 ILE A 5 -10.300 -11.721 -6.152 1.00 0.66 H new ATOM 0 HD12 ILE A 5 -10.041 -11.295 -7.861 1.00 0.66 H new ATOM 0 HD13 ILE A 5 -9.143 -12.649 -7.135 1.00 0.66 H new ATOM 89 N SER A 6 -4.612 -8.801 -8.621 1.00 0.30 N ATOM 90 CA SER A 6 -3.643 -8.617 -9.738 1.00 0.50 C ATOM 91 C SER A 6 -4.065 -7.431 -10.614 1.00 0.49 C ATOM 92 O SER A 6 -5.056 -6.785 -10.344 1.00 0.65 O ATOM 93 CB SER A 6 -3.712 -9.922 -10.527 1.00 0.76 C ATOM 94 OG SER A 6 -2.427 -10.531 -10.537 1.00 0.73 O ATOM 0 H SER A 6 -4.212 -8.737 -7.685 1.00 0.30 H new ATOM 0 HA SER A 6 -2.634 -8.404 -9.386 1.00 0.50 H new ATOM 0 HB2 SER A 6 -4.443 -10.594 -10.078 1.00 0.76 H new ATOM 0 HB3 SER A 6 -4.043 -9.727 -11.547 1.00 0.76 H new ATOM 0 HG SER A 6 -2.467 -11.370 -11.041 1.00 0.73 H new ATOM 100 N PRO A 7 -3.294 -7.191 -11.642 1.00 0.73 N ATOM 101 CA PRO A 7 -3.592 -6.075 -12.577 1.00 0.84 C ATOM 102 C PRO A 7 -4.855 -6.366 -13.399 1.00 0.55 C ATOM 103 O PRO A 7 -5.282 -5.558 -14.201 1.00 0.60 O ATOM 104 CB PRO A 7 -2.354 -6.017 -13.470 1.00 1.25 C ATOM 105 CG PRO A 7 -1.761 -7.387 -13.399 1.00 1.29 C ATOM 106 CD PRO A 7 -2.083 -7.925 -12.032 1.00 1.09 C ATOM 0 HA PRO A 7 -3.788 -5.133 -12.065 1.00 0.84 H new ATOM 0 HB2 PRO A 7 -2.618 -5.754 -14.494 1.00 1.25 H new ATOM 0 HB3 PRO A 7 -1.649 -5.263 -13.119 1.00 1.25 H new ATOM 0 HG2 PRO A 7 -2.176 -8.029 -14.176 1.00 1.29 H new ATOM 0 HG3 PRO A 7 -0.683 -7.351 -13.557 1.00 1.29 H new ATOM 0 HD2 PRO A 7 -2.258 -9.001 -12.057 1.00 1.09 H new ATOM 0 HD3 PRO A 7 -1.267 -7.751 -11.331 1.00 1.09 H new ATOM 114 N SER A 8 -5.457 -7.508 -13.208 1.00 0.30 N ATOM 115 CA SER A 8 -6.690 -7.842 -13.977 1.00 0.30 C ATOM 116 C SER A 8 -7.775 -6.796 -13.714 1.00 0.44 C ATOM 117 O SER A 8 -8.556 -6.462 -14.582 1.00 0.69 O ATOM 118 CB SER A 8 -7.131 -9.204 -13.444 1.00 0.54 C ATOM 119 OG SER A 8 -6.113 -10.163 -13.699 1.00 0.83 O ATOM 0 H SER A 8 -5.148 -8.225 -12.552 1.00 0.30 H new ATOM 0 HA SER A 8 -6.513 -7.859 -15.052 1.00 0.30 H new ATOM 0 HB2 SER A 8 -7.327 -9.142 -12.374 1.00 0.54 H new ATOM 0 HB3 SER A 8 -8.062 -9.510 -13.922 1.00 0.54 H new ATOM 0 HG SER A 8 -6.394 -11.037 -13.356 1.00 0.83 H new ATOM 125 N SER A 9 -7.828 -6.279 -12.519 1.00 0.38 N ATOM 126 CA SER A 9 -8.860 -5.257 -12.194 1.00 0.62 C ATOM 127 C SER A 9 -10.255 -5.881 -12.244 1.00 0.60 C ATOM 128 O SER A 9 -11.111 -5.463 -12.998 1.00 1.05 O ATOM 129 CB SER A 9 -8.709 -4.175 -13.262 1.00 1.08 C ATOM 130 OG SER A 9 -9.021 -2.908 -12.695 1.00 1.18 O ATOM 0 H SER A 9 -7.200 -6.521 -11.752 1.00 0.38 H new ATOM 0 HA SER A 9 -8.733 -4.849 -11.191 1.00 0.62 H new ATOM 0 HB2 SER A 9 -7.691 -4.171 -13.651 1.00 1.08 H new ATOM 0 HB3 SER A 9 -9.371 -4.383 -14.103 1.00 1.08 H new ATOM 0 HG SER A 9 -8.924 -2.211 -13.377 1.00 1.18 H new ATOM 136 N THR A 10 -10.482 -6.877 -11.438 1.00 0.32 N ATOM 137 CA THR A 10 -11.818 -7.541 -11.417 1.00 0.54 C ATOM 138 C THR A 10 -12.439 -7.427 -10.020 1.00 0.32 C ATOM 139 O THR A 10 -12.051 -8.130 -9.108 1.00 0.49 O ATOM 140 CB THR A 10 -11.538 -9.000 -11.769 1.00 0.96 C ATOM 141 OG1 THR A 10 -10.554 -9.519 -10.887 1.00 0.98 O ATOM 142 CG2 THR A 10 -11.035 -9.087 -13.210 1.00 1.10 C ATOM 0 H THR A 10 -9.798 -7.264 -10.788 1.00 0.32 H new ATOM 0 HA THR A 10 -12.522 -7.085 -12.113 1.00 0.54 H new ATOM 0 HB THR A 10 -12.454 -9.582 -11.670 1.00 0.96 H new ATOM 0 HG1 THR A 10 -10.720 -9.187 -9.980 1.00 0.98 H new ATOM 0 HG21 THR A 10 -10.834 -10.128 -13.463 1.00 1.10 H new ATOM 0 HG22 THR A 10 -11.793 -8.689 -13.885 1.00 1.10 H new ATOM 0 HG23 THR A 10 -10.118 -8.506 -13.311 1.00 1.10 H new ATOM 150 N PRO A 11 -13.381 -6.530 -9.902 1.00 0.24 N ATOM 151 CA PRO A 11 -14.063 -6.303 -8.606 1.00 0.41 C ATOM 152 C PRO A 11 -15.099 -7.397 -8.326 1.00 0.72 C ATOM 153 O PRO A 11 -16.290 -7.181 -8.439 1.00 1.08 O ATOM 154 CB PRO A 11 -14.737 -4.949 -8.793 1.00 0.72 C ATOM 155 CG PRO A 11 -14.934 -4.802 -10.270 1.00 0.75 C ATOM 156 CD PRO A 11 -13.891 -5.650 -10.957 1.00 0.49 C ATOM 0 HA PRO A 11 -13.378 -6.325 -7.758 1.00 0.41 H new ATOM 0 HB2 PRO A 11 -15.689 -4.908 -8.264 1.00 0.72 H new ATOM 0 HB3 PRO A 11 -14.118 -4.144 -8.397 1.00 0.72 H new ATOM 0 HG2 PRO A 11 -15.936 -5.121 -10.556 1.00 0.75 H new ATOM 0 HG3 PRO A 11 -14.835 -3.758 -10.567 1.00 0.75 H new ATOM 0 HD2 PRO A 11 -14.323 -6.223 -11.778 1.00 0.49 H new ATOM 0 HD3 PRO A 11 -13.096 -5.036 -11.381 1.00 0.49 H new ATOM 164 N GLN A 12 -14.657 -8.570 -7.953 1.00 0.75 N ATOM 165 CA GLN A 12 -15.618 -9.673 -7.656 1.00 1.11 C ATOM 166 C GLN A 12 -15.072 -10.579 -6.541 1.00 0.95 C ATOM 167 O GLN A 12 -15.137 -11.788 -6.633 1.00 1.24 O ATOM 168 CB GLN A 12 -15.739 -10.457 -8.965 1.00 1.62 C ATOM 169 CG GLN A 12 -17.003 -10.023 -9.712 1.00 1.79 C ATOM 170 CD GLN A 12 -18.204 -10.814 -9.189 1.00 2.31 C ATOM 171 OE1 GLN A 12 -18.109 -12.003 -8.953 1.00 2.55 O ATOM 172 NE2 GLN A 12 -19.341 -10.201 -9.000 1.00 2.58 N ATOM 0 H GLN A 12 -13.672 -8.811 -7.841 1.00 0.75 H new ATOM 0 HA GLN A 12 -16.580 -9.294 -7.312 1.00 1.11 H new ATOM 0 HB2 GLN A 12 -14.860 -10.284 -9.586 1.00 1.62 H new ATOM 0 HB3 GLN A 12 -15.777 -11.526 -8.757 1.00 1.62 H new ATOM 0 HG2 GLN A 12 -17.170 -8.955 -9.575 1.00 1.79 H new ATOM 0 HG3 GLN A 12 -16.881 -10.192 -10.782 1.00 1.79 H new ATOM 0 HE21 GLN A 12 -19.422 -9.204 -9.198 1.00 2.58 H new ATOM 0 HE22 GLN A 12 -20.149 -10.719 -8.655 1.00 2.58 H new ATOM 181 N THR A 13 -14.508 -10.017 -5.500 1.00 0.57 N ATOM 182 CA THR A 13 -13.939 -10.868 -4.422 1.00 0.51 C ATOM 183 C THR A 13 -14.681 -10.751 -3.076 1.00 0.48 C ATOM 184 O THR A 13 -15.888 -10.858 -2.989 1.00 0.55 O ATOM 185 CB THR A 13 -12.522 -10.335 -4.277 1.00 0.41 C ATOM 186 OG1 THR A 13 -12.080 -9.809 -5.521 1.00 0.41 O ATOM 187 CG2 THR A 13 -11.587 -11.455 -3.827 1.00 0.53 C ATOM 0 H THR A 13 -14.420 -9.011 -5.355 1.00 0.57 H new ATOM 0 HA THR A 13 -14.011 -11.925 -4.680 1.00 0.51 H new ATOM 0 HB THR A 13 -12.513 -9.544 -3.528 1.00 0.41 H new ATOM 0 HG1 THR A 13 -11.168 -9.465 -5.425 1.00 0.41 H new ATOM 0 HG21 THR A 13 -10.574 -11.065 -3.726 1.00 0.53 H new ATOM 0 HG22 THR A 13 -11.923 -11.846 -2.867 1.00 0.53 H new ATOM 0 HG23 THR A 13 -11.595 -12.255 -4.567 1.00 0.53 H new ATOM 195 N CYS A 14 -13.932 -10.558 -2.022 1.00 0.41 N ATOM 196 CA CYS A 14 -14.499 -10.446 -0.658 1.00 0.39 C ATOM 197 C CYS A 14 -15.505 -11.573 -0.396 1.00 0.41 C ATOM 198 O CYS A 14 -16.699 -11.381 -0.517 1.00 0.56 O ATOM 199 CB CYS A 14 -15.174 -9.074 -0.585 1.00 0.39 C ATOM 200 SG CYS A 14 -14.470 -8.104 0.779 1.00 0.41 S ATOM 0 H CYS A 14 -12.916 -10.471 -2.059 1.00 0.41 H new ATOM 0 HA CYS A 14 -13.724 -10.539 0.103 1.00 0.39 H new ATOM 0 HB2 CYS A 14 -15.038 -8.543 -1.527 1.00 0.39 H new ATOM 0 HB3 CYS A 14 -16.247 -9.195 -0.439 1.00 0.39 H new ATOM 205 N PRO A 15 -14.981 -12.720 -0.049 1.00 0.44 N ATOM 206 CA PRO A 15 -15.837 -13.904 0.231 1.00 0.51 C ATOM 207 C PRO A 15 -16.603 -13.737 1.550 1.00 0.42 C ATOM 208 O PRO A 15 -17.565 -14.435 1.807 1.00 0.55 O ATOM 209 CB PRO A 15 -14.836 -15.054 0.328 1.00 0.69 C ATOM 210 CG PRO A 15 -13.540 -14.410 0.702 1.00 0.72 C ATOM 211 CD PRO A 15 -13.553 -13.023 0.115 1.00 0.62 C ATOM 0 HA PRO A 15 -16.598 -14.062 -0.533 1.00 0.51 H new ATOM 0 HB2 PRO A 15 -15.145 -15.783 1.077 1.00 0.69 H new ATOM 0 HB3 PRO A 15 -14.753 -15.586 -0.620 1.00 0.69 H new ATOM 0 HG2 PRO A 15 -13.428 -14.369 1.785 1.00 0.72 H new ATOM 0 HG3 PRO A 15 -12.698 -14.985 0.316 1.00 0.72 H new ATOM 0 HD2 PRO A 15 -13.066 -12.306 0.775 1.00 0.62 H new ATOM 0 HD3 PRO A 15 -13.025 -12.988 -0.838 1.00 0.62 H new ATOM 219 N ASN A 16 -16.187 -12.829 2.393 1.00 0.31 N ATOM 220 CA ASN A 16 -16.898 -12.639 3.693 1.00 0.27 C ATOM 221 C ASN A 16 -18.032 -11.622 3.543 1.00 0.24 C ATOM 222 O ASN A 16 -18.280 -11.104 2.473 1.00 0.33 O ATOM 223 CB ASN A 16 -15.834 -12.118 4.661 1.00 0.34 C ATOM 224 CG ASN A 16 -15.321 -10.759 4.178 1.00 0.37 C ATOM 225 OD1 ASN A 16 -15.328 -10.479 2.996 1.00 0.52 O ATOM 226 ND2 ASN A 16 -14.869 -9.900 5.049 1.00 0.41 N ATOM 0 H ASN A 16 -15.389 -12.213 2.239 1.00 0.31 H new ATOM 0 HA ASN A 16 -17.352 -13.565 4.047 1.00 0.27 H new ATOM 0 HB2 ASN A 16 -16.254 -12.024 5.663 1.00 0.34 H new ATOM 0 HB3 ASN A 16 -15.009 -12.827 4.726 1.00 0.34 H new ATOM 0 HD21 ASN A 16 -14.521 -8.993 4.738 1.00 0.41 H new ATOM 0 HD22 ASN A 16 -14.863 -10.135 6.042 1.00 0.41 H new ATOM 233 N GLY A 17 -18.726 -11.335 4.611 1.00 0.26 N ATOM 234 CA GLY A 17 -19.844 -10.353 4.534 1.00 0.31 C ATOM 235 C GLY A 17 -19.338 -8.969 4.948 1.00 0.25 C ATOM 236 O GLY A 17 -20.102 -8.115 5.351 1.00 0.33 O ATOM 0 H GLY A 17 -18.566 -11.739 5.534 1.00 0.26 H new ATOM 0 HA2 GLY A 17 -20.242 -10.318 3.520 1.00 0.31 H new ATOM 0 HA3 GLY A 17 -20.660 -10.663 5.186 1.00 0.31 H new ATOM 240 N GLN A 18 -18.056 -8.742 4.853 1.00 0.22 N ATOM 241 CA GLN A 18 -17.504 -7.413 5.243 1.00 0.26 C ATOM 242 C GLN A 18 -16.575 -6.877 4.148 1.00 0.24 C ATOM 243 O GLN A 18 -16.038 -7.625 3.356 1.00 0.35 O ATOM 244 CB GLN A 18 -16.712 -7.675 6.524 1.00 0.33 C ATOM 245 CG GLN A 18 -17.663 -8.137 7.628 1.00 0.63 C ATOM 246 CD GLN A 18 -17.957 -6.968 8.570 1.00 0.87 C ATOM 247 OE1 GLN A 18 -17.303 -5.947 8.513 1.00 1.17 O ATOM 248 NE2 GLN A 18 -18.921 -7.077 9.442 1.00 1.13 N ATOM 0 H GLN A 18 -17.368 -9.418 4.523 1.00 0.22 H new ATOM 0 HA GLN A 18 -18.289 -6.671 5.387 1.00 0.26 H new ATOM 0 HB2 GLN A 18 -15.951 -8.434 6.344 1.00 0.33 H new ATOM 0 HB3 GLN A 18 -16.192 -6.769 6.834 1.00 0.33 H new ATOM 0 HG2 GLN A 18 -18.590 -8.509 7.192 1.00 0.63 H new ATOM 0 HG3 GLN A 18 -17.219 -8.963 8.184 1.00 0.63 H new ATOM 0 HE21 GLN A 18 -19.471 -7.935 9.490 1.00 1.13 H new ATOM 0 HE22 GLN A 18 -19.125 -6.304 10.076 1.00 1.13 H new ATOM 257 N ASP A 19 -16.376 -5.589 4.107 1.00 0.24 N ATOM 258 CA ASP A 19 -15.474 -5.001 3.074 1.00 0.28 C ATOM 259 C ASP A 19 -14.024 -5.034 3.583 1.00 0.22 C ATOM 260 O ASP A 19 -13.515 -6.079 3.933 1.00 0.33 O ATOM 261 CB ASP A 19 -15.973 -3.567 2.894 1.00 0.41 C ATOM 262 CG ASP A 19 -17.436 -3.593 2.443 1.00 0.46 C ATOM 263 OD1 ASP A 19 -18.205 -4.326 3.043 1.00 0.61 O ATOM 264 OD2 ASP A 19 -17.759 -2.884 1.507 1.00 0.46 O ATOM 0 H ASP A 19 -16.800 -4.916 4.745 1.00 0.24 H new ATOM 0 HA ASP A 19 -15.487 -5.546 2.130 1.00 0.28 H new ATOM 0 HB2 ASP A 19 -15.879 -3.017 3.830 1.00 0.41 H new ATOM 0 HB3 ASP A 19 -15.362 -3.047 2.156 1.00 0.41 H new ATOM 269 N ILE A 20 -13.358 -3.906 3.636 1.00 0.21 N ATOM 270 CA ILE A 20 -11.948 -3.885 4.138 1.00 0.18 C ATOM 271 C ILE A 20 -11.020 -4.694 3.223 1.00 0.21 C ATOM 272 O ILE A 20 -11.084 -5.907 3.177 1.00 0.30 O ATOM 273 CB ILE A 20 -12.011 -4.516 5.532 1.00 0.23 C ATOM 274 CG1 ILE A 20 -13.088 -3.813 6.363 1.00 0.28 C ATOM 275 CG2 ILE A 20 -10.658 -4.371 6.226 1.00 0.32 C ATOM 276 CD1 ILE A 20 -12.788 -2.315 6.437 1.00 0.48 C ATOM 0 H ILE A 20 -13.730 -2.999 3.353 1.00 0.21 H new ATOM 0 HA ILE A 20 -11.546 -2.872 4.161 1.00 0.18 H new ATOM 0 HB ILE A 20 -12.256 -5.574 5.437 1.00 0.23 H new ATOM 0 HG12 ILE A 20 -14.069 -3.975 5.916 1.00 0.28 H new ATOM 0 HG13 ILE A 20 -13.121 -4.237 7.367 1.00 0.28 H new ATOM 0 HG21 ILE A 20 -10.707 -4.821 7.217 1.00 0.32 H new ATOM 0 HG22 ILE A 20 -9.891 -4.874 5.637 1.00 0.32 H new ATOM 0 HG23 ILE A 20 -10.409 -3.314 6.320 1.00 0.32 H new ATOM 0 HD11 ILE A 20 -13.557 -1.819 7.029 1.00 0.48 H new ATOM 0 HD12 ILE A 20 -11.815 -2.161 6.904 1.00 0.48 H new ATOM 0 HD13 ILE A 20 -12.778 -1.896 5.431 1.00 0.48 H new ATOM 288 N CYS A 21 -10.150 -4.034 2.499 1.00 0.22 N ATOM 289 CA CYS A 21 -9.216 -4.776 1.600 1.00 0.28 C ATOM 290 C CYS A 21 -7.763 -4.347 1.852 1.00 0.30 C ATOM 291 O CYS A 21 -7.466 -3.175 1.977 1.00 0.31 O ATOM 292 CB CYS A 21 -9.646 -4.410 0.178 1.00 0.29 C ATOM 293 SG CYS A 21 -9.421 -5.846 -0.903 1.00 0.43 S ATOM 0 H CYS A 21 -10.047 -3.019 2.492 1.00 0.22 H new ATOM 0 HA CYS A 21 -9.258 -5.851 1.773 1.00 0.28 H new ATOM 0 HB2 CYS A 21 -10.689 -4.095 0.171 1.00 0.29 H new ATOM 0 HB3 CYS A 21 -9.057 -3.569 -0.188 1.00 0.29 H new ATOM 298 N PHE A 22 -6.854 -5.290 1.916 1.00 0.35 N ATOM 299 CA PHE A 22 -5.431 -4.943 2.145 1.00 0.39 C ATOM 300 C PHE A 22 -4.514 -5.981 1.486 1.00 0.41 C ATOM 301 O PHE A 22 -4.966 -6.940 0.891 1.00 0.44 O ATOM 302 CB PHE A 22 -5.246 -4.929 3.669 1.00 0.42 C ATOM 303 CG PHE A 22 -4.956 -6.325 4.180 1.00 0.46 C ATOM 304 CD1 PHE A 22 -5.950 -7.309 4.148 1.00 0.42 C ATOM 305 CD2 PHE A 22 -3.684 -6.631 4.681 1.00 0.63 C ATOM 306 CE1 PHE A 22 -5.672 -8.599 4.618 1.00 0.47 C ATOM 307 CE2 PHE A 22 -3.406 -7.920 5.149 1.00 0.70 C ATOM 308 CZ PHE A 22 -4.400 -8.905 5.119 1.00 0.58 C ATOM 0 H PHE A 22 -7.045 -6.287 1.818 1.00 0.35 H new ATOM 0 HA PHE A 22 -5.173 -3.978 1.708 1.00 0.39 H new ATOM 0 HB2 PHE A 22 -4.428 -4.260 3.936 1.00 0.42 H new ATOM 0 HB3 PHE A 22 -6.145 -4.540 4.147 1.00 0.42 H new ATOM 0 HD1 PHE A 22 -6.931 -7.074 3.761 1.00 0.42 H new ATOM 0 HD2 PHE A 22 -2.917 -5.871 4.706 1.00 0.63 H new ATOM 0 HE1 PHE A 22 -6.439 -9.359 4.594 1.00 0.47 H new ATOM 0 HE2 PHE A 22 -2.424 -8.155 5.533 1.00 0.70 H new ATOM 0 HZ PHE A 22 -4.187 -9.900 5.482 1.00 0.58 H new ATOM 318 N LEU A 23 -3.230 -5.794 1.600 1.00 0.40 N ATOM 319 CA LEU A 23 -2.269 -6.765 0.995 1.00 0.41 C ATOM 320 C LEU A 23 -1.251 -7.222 2.043 1.00 0.37 C ATOM 321 O LEU A 23 -0.859 -6.465 2.907 1.00 0.41 O ATOM 322 CB LEU A 23 -1.565 -5.991 -0.121 1.00 0.43 C ATOM 323 CG LEU A 23 -0.682 -6.944 -0.929 1.00 0.51 C ATOM 324 CD1 LEU A 23 -0.907 -6.709 -2.424 1.00 0.61 C ATOM 325 CD2 LEU A 23 0.788 -6.683 -0.593 1.00 0.58 C ATOM 0 H LEU A 23 -2.800 -5.008 2.088 1.00 0.40 H new ATOM 0 HA LEU A 23 -2.771 -7.657 0.620 1.00 0.41 H new ATOM 0 HB2 LEU A 23 -2.302 -5.522 -0.773 1.00 0.43 H new ATOM 0 HB3 LEU A 23 -0.960 -5.190 0.304 1.00 0.43 H new ATOM 0 HG LEU A 23 -0.939 -7.973 -0.680 1.00 0.51 H new ATOM 0 HD11 LEU A 23 -0.277 -7.389 -2.998 1.00 0.61 H new ATOM 0 HD12 LEU A 23 -1.954 -6.891 -2.667 1.00 0.61 H new ATOM 0 HD13 LEU A 23 -0.651 -5.679 -2.673 1.00 0.61 H new ATOM 0 HD21 LEU A 23 1.419 -7.361 -1.168 1.00 0.58 H new ATOM 0 HD22 LEU A 23 1.041 -5.653 -0.843 1.00 0.58 H new ATOM 0 HD23 LEU A 23 0.953 -6.849 0.472 1.00 0.58 H new ATOM 337 N LYS A 24 -0.812 -8.449 1.967 1.00 0.34 N ATOM 338 CA LYS A 24 0.190 -8.947 2.953 1.00 0.33 C ATOM 339 C LYS A 24 1.386 -9.553 2.212 1.00 0.31 C ATOM 340 O LYS A 24 1.255 -10.519 1.485 1.00 0.37 O ATOM 341 CB LYS A 24 -0.545 -10.020 3.760 1.00 0.35 C ATOM 342 CG LYS A 24 0.355 -10.521 4.894 1.00 0.35 C ATOM 343 CD LYS A 24 -0.477 -11.344 5.880 1.00 0.38 C ATOM 344 CE LYS A 24 -0.552 -10.614 7.224 1.00 0.42 C ATOM 345 NZ LYS A 24 -0.425 -11.685 8.252 1.00 0.47 N ATOM 0 H LYS A 24 -1.104 -9.129 1.265 1.00 0.34 H new ATOM 0 HA LYS A 24 0.576 -8.155 3.595 1.00 0.33 H new ATOM 0 HB2 LYS A 24 -1.469 -9.611 4.170 1.00 0.35 H new ATOM 0 HB3 LYS A 24 -0.824 -10.850 3.111 1.00 0.35 H new ATOM 0 HG2 LYS A 24 1.164 -11.129 4.489 1.00 0.35 H new ATOM 0 HG3 LYS A 24 0.816 -9.677 5.407 1.00 0.35 H new ATOM 0 HD2 LYS A 24 -1.480 -11.500 5.483 1.00 0.38 H new ATOM 0 HD3 LYS A 24 -0.030 -12.329 6.014 1.00 0.38 H new ATOM 0 HE2 LYS A 24 0.247 -9.879 7.319 1.00 0.42 H new ATOM 0 HE3 LYS A 24 -1.494 -10.076 7.329 1.00 0.42 H new ATOM 0 HZ1 LYS A 24 -0.467 -11.262 9.201 1.00 0.47 H new ATOM 0 HZ2 LYS A 24 -1.203 -12.366 8.141 1.00 0.47 H new ATOM 0 HZ3 LYS A 24 0.484 -12.175 8.132 1.00 0.47 H new ATOM 359 N ALA A 25 2.551 -8.989 2.383 1.00 0.31 N ATOM 360 CA ALA A 25 3.753 -9.531 1.678 1.00 0.34 C ATOM 361 C ALA A 25 4.865 -9.847 2.681 1.00 0.36 C ATOM 362 O ALA A 25 5.219 -9.030 3.508 1.00 0.41 O ATOM 363 CB ALA A 25 4.196 -8.411 0.738 1.00 0.40 C ATOM 0 H ALA A 25 2.724 -8.179 2.978 1.00 0.31 H new ATOM 0 HA ALA A 25 3.532 -10.456 1.146 1.00 0.34 H new ATOM 0 HB1 ALA A 25 5.077 -8.730 0.181 1.00 0.40 H new ATOM 0 HB2 ALA A 25 3.390 -8.181 0.041 1.00 0.40 H new ATOM 0 HB3 ALA A 25 4.437 -7.522 1.320 1.00 0.40 H new ATOM 369 N GLN A 26 5.427 -11.024 2.610 1.00 0.40 N ATOM 370 CA GLN A 26 6.524 -11.381 3.555 1.00 0.47 C ATOM 371 C GLN A 26 7.389 -12.491 2.955 1.00 0.49 C ATOM 372 O GLN A 26 6.885 -13.433 2.374 1.00 0.50 O ATOM 373 CB GLN A 26 5.821 -11.878 4.820 1.00 0.51 C ATOM 374 CG GLN A 26 6.852 -12.038 5.937 1.00 0.60 C ATOM 375 CD GLN A 26 6.531 -13.291 6.756 1.00 0.61 C ATOM 376 OE1 GLN A 26 5.707 -13.253 7.648 1.00 0.74 O ATOM 377 NE2 GLN A 26 7.155 -14.406 6.490 1.00 0.60 N ATOM 0 H GLN A 26 5.175 -11.751 1.941 1.00 0.40 H new ATOM 0 HA GLN A 26 7.180 -10.536 3.763 1.00 0.47 H new ATOM 0 HB2 GLN A 26 5.047 -11.172 5.121 1.00 0.51 H new ATOM 0 HB3 GLN A 26 5.327 -12.830 4.626 1.00 0.51 H new ATOM 0 HG2 GLN A 26 7.853 -12.115 5.513 1.00 0.60 H new ATOM 0 HG3 GLN A 26 6.845 -11.159 6.581 1.00 0.60 H new ATOM 0 HE21 GLN A 26 7.847 -14.437 5.741 1.00 0.60 H new ATOM 0 HE22 GLN A 26 6.951 -15.246 7.031 1.00 0.60 H new ATOM 386 N CYS A 27 8.685 -12.395 3.090 1.00 0.51 N ATOM 387 CA CYS A 27 9.566 -13.457 2.524 1.00 0.53 C ATOM 388 C CYS A 27 9.100 -14.832 3.006 1.00 0.54 C ATOM 389 O CYS A 27 8.773 -15.020 4.160 1.00 0.63 O ATOM 390 CB CYS A 27 10.968 -13.148 3.047 1.00 0.58 C ATOM 391 SG CYS A 27 12.144 -14.352 2.370 1.00 0.64 S ATOM 0 H CYS A 27 9.169 -11.633 3.564 1.00 0.51 H new ATOM 0 HA CYS A 27 9.543 -13.473 1.434 1.00 0.53 H new ATOM 0 HB2 CYS A 27 11.260 -12.138 2.761 1.00 0.58 H new ATOM 0 HB3 CYS A 27 10.978 -13.186 4.136 1.00 0.58 H new ATOM 396 N ASP A 28 9.059 -15.791 2.126 1.00 0.49 N ATOM 397 CA ASP A 28 8.608 -17.154 2.520 1.00 0.49 C ATOM 398 C ASP A 28 9.733 -18.164 2.287 1.00 0.50 C ATOM 399 O ASP A 28 9.529 -19.209 1.701 1.00 0.59 O ATOM 400 CB ASP A 28 7.425 -17.451 1.602 1.00 0.45 C ATOM 401 CG ASP A 28 7.921 -17.586 0.162 1.00 0.50 C ATOM 402 OD1 ASP A 28 8.640 -16.704 -0.281 1.00 0.56 O ATOM 403 OD2 ASP A 28 7.579 -18.570 -0.473 1.00 0.57 O ATOM 0 H ASP A 28 9.320 -15.689 1.145 1.00 0.49 H new ATOM 0 HA ASP A 28 8.335 -17.217 3.574 1.00 0.49 H new ATOM 0 HB2 ASP A 28 6.929 -18.370 1.915 1.00 0.45 H new ATOM 0 HB3 ASP A 28 6.687 -16.651 1.671 1.00 0.45 H new ATOM 408 N LYS A 29 10.921 -17.852 2.739 1.00 0.48 N ATOM 409 CA LYS A 29 12.080 -18.780 2.551 1.00 0.52 C ATOM 410 C LYS A 29 12.562 -18.746 1.096 1.00 0.50 C ATOM 411 O LYS A 29 11.808 -18.982 0.175 1.00 0.53 O ATOM 412 CB LYS A 29 11.555 -20.172 2.912 1.00 0.59 C ATOM 413 CG LYS A 29 12.585 -20.901 3.777 1.00 0.66 C ATOM 414 CD LYS A 29 11.860 -21.746 4.825 1.00 0.80 C ATOM 415 CE LYS A 29 12.884 -22.402 5.751 1.00 0.86 C ATOM 416 NZ LYS A 29 12.184 -22.527 7.059 1.00 1.04 N ATOM 0 H LYS A 29 11.140 -16.988 3.234 1.00 0.48 H new ATOM 0 HA LYS A 29 12.930 -18.497 3.173 1.00 0.52 H new ATOM 0 HB2 LYS A 29 10.610 -20.087 3.448 1.00 0.59 H new ATOM 0 HB3 LYS A 29 11.357 -20.743 2.005 1.00 0.59 H new ATOM 0 HG2 LYS A 29 13.215 -21.536 3.154 1.00 0.66 H new ATOM 0 HG3 LYS A 29 13.242 -20.181 4.265 1.00 0.66 H new ATOM 0 HD2 LYS A 29 11.179 -21.121 5.403 1.00 0.80 H new ATOM 0 HD3 LYS A 29 11.255 -22.509 4.336 1.00 0.80 H new ATOM 0 HE2 LYS A 29 13.193 -23.376 5.373 1.00 0.86 H new ATOM 0 HE3 LYS A 29 13.784 -21.794 5.840 1.00 0.86 H new ATOM 0 HZ1 LYS A 29 12.820 -22.970 7.752 1.00 1.04 H new ATOM 0 HZ2 LYS A 29 11.907 -21.583 7.396 1.00 1.04 H new ATOM 0 HZ3 LYS A 29 11.335 -23.116 6.943 1.00 1.04 H new ATOM 430 N PHE A 30 13.820 -18.448 0.892 1.00 0.47 N ATOM 431 CA PHE A 30 14.380 -18.393 -0.495 1.00 0.47 C ATOM 432 C PHE A 30 13.664 -17.333 -1.342 1.00 0.51 C ATOM 433 O PHE A 30 13.881 -17.241 -2.535 1.00 0.56 O ATOM 434 CB PHE A 30 14.146 -19.783 -1.091 1.00 0.53 C ATOM 435 CG PHE A 30 14.908 -20.816 -0.295 1.00 0.55 C ATOM 436 CD1 PHE A 30 16.224 -20.561 0.110 1.00 0.60 C ATOM 437 CD2 PHE A 30 14.298 -22.034 0.033 1.00 0.70 C ATOM 438 CE1 PHE A 30 16.929 -21.523 0.843 1.00 0.75 C ATOM 439 CE2 PHE A 30 15.004 -22.996 0.767 1.00 0.81 C ATOM 440 CZ PHE A 30 16.320 -22.740 1.172 1.00 0.83 C ATOM 0 H PHE A 30 14.490 -18.239 1.632 1.00 0.47 H new ATOM 0 HA PHE A 30 15.436 -18.123 -0.479 1.00 0.47 H new ATOM 0 HB2 PHE A 30 13.082 -20.017 -1.084 1.00 0.53 H new ATOM 0 HB3 PHE A 30 14.469 -19.802 -2.132 1.00 0.53 H new ATOM 0 HD1 PHE A 30 16.695 -19.623 -0.143 1.00 0.60 H new ATOM 0 HD2 PHE A 30 13.283 -22.231 -0.280 1.00 0.70 H new ATOM 0 HE1 PHE A 30 17.944 -21.326 1.155 1.00 0.75 H new ATOM 0 HE2 PHE A 30 14.534 -23.935 1.020 1.00 0.81 H new ATOM 0 HZ PHE A 30 16.865 -23.481 1.738 1.00 0.83 H new ATOM 450 N CYS A 31 12.815 -16.535 -0.755 1.00 0.52 N ATOM 451 CA CYS A 31 12.109 -15.507 -1.552 1.00 0.57 C ATOM 452 C CYS A 31 13.118 -14.672 -2.347 1.00 0.61 C ATOM 453 O CYS A 31 12.778 -14.033 -3.324 1.00 0.64 O ATOM 454 CB CYS A 31 11.347 -14.650 -0.536 1.00 0.58 C ATOM 455 SG CYS A 31 12.511 -13.713 0.487 1.00 0.56 S ATOM 0 H CYS A 31 12.584 -16.554 0.238 1.00 0.52 H new ATOM 0 HA CYS A 31 11.427 -15.945 -2.281 1.00 0.57 H new ATOM 0 HB2 CYS A 31 10.676 -13.966 -1.056 1.00 0.58 H new ATOM 0 HB3 CYS A 31 10.727 -15.286 0.095 1.00 0.58 H new ATOM 460 N SER A 32 14.360 -14.680 -1.943 1.00 0.62 N ATOM 461 CA SER A 32 15.388 -13.896 -2.684 1.00 0.68 C ATOM 462 C SER A 32 15.875 -14.691 -3.901 1.00 0.73 C ATOM 463 O SER A 32 16.588 -14.183 -4.744 1.00 0.84 O ATOM 464 CB SER A 32 16.529 -13.692 -1.686 1.00 0.68 C ATOM 465 OG SER A 32 17.218 -14.921 -1.501 1.00 0.66 O ATOM 0 H SER A 32 14.706 -15.195 -1.133 1.00 0.62 H new ATOM 0 HA SER A 32 14.999 -12.948 -3.054 1.00 0.68 H new ATOM 0 HB2 SER A 32 17.216 -12.929 -2.052 1.00 0.68 H new ATOM 0 HB3 SER A 32 16.135 -13.336 -0.734 1.00 0.68 H new ATOM 0 HG SER A 32 18.107 -14.862 -1.909 1.00 0.66 H new ATOM 471 N ILE A 33 15.493 -15.936 -3.996 1.00 0.68 N ATOM 472 CA ILE A 33 15.926 -16.769 -5.154 1.00 0.71 C ATOM 473 C ILE A 33 14.701 -17.273 -5.918 1.00 0.71 C ATOM 474 O ILE A 33 14.750 -17.507 -7.110 1.00 0.75 O ATOM 475 CB ILE A 33 16.697 -17.937 -4.537 1.00 0.67 C ATOM 476 CG1 ILE A 33 17.900 -17.397 -3.762 1.00 0.71 C ATOM 477 CG2 ILE A 33 17.187 -18.872 -5.647 1.00 0.74 C ATOM 478 CD1 ILE A 33 18.344 -18.427 -2.723 1.00 0.73 C ATOM 0 H ILE A 33 14.898 -16.413 -3.319 1.00 0.68 H new ATOM 0 HA ILE A 33 16.538 -16.212 -5.863 1.00 0.71 H new ATOM 0 HB ILE A 33 16.042 -18.487 -3.861 1.00 0.67 H new ATOM 0 HG12 ILE A 33 18.719 -17.180 -4.447 1.00 0.71 H new ATOM 0 HG13 ILE A 33 17.638 -16.460 -3.271 1.00 0.71 H new ATOM 0 HG21 ILE A 33 17.736 -19.704 -5.206 1.00 0.74 H new ATOM 0 HG22 ILE A 33 16.332 -19.256 -6.203 1.00 0.74 H new ATOM 0 HG23 ILE A 33 17.842 -18.322 -6.323 1.00 0.74 H new ATOM 0 HD11 ILE A 33 19.201 -18.041 -2.171 1.00 0.73 H new ATOM 0 HD12 ILE A 33 17.525 -18.622 -2.031 1.00 0.73 H new ATOM 0 HD13 ILE A 33 18.623 -19.353 -3.225 1.00 0.73 H new ATOM 490 N ARG A 34 13.602 -17.440 -5.235 1.00 0.64 N ATOM 491 CA ARG A 34 12.378 -17.918 -5.899 1.00 0.63 C ATOM 492 C ARG A 34 11.272 -16.862 -5.780 1.00 0.66 C ATOM 493 O ARG A 34 10.179 -17.032 -6.281 1.00 0.75 O ATOM 494 CB ARG A 34 11.998 -19.204 -5.164 1.00 0.61 C ATOM 495 CG ARG A 34 13.233 -20.102 -5.036 1.00 0.56 C ATOM 496 CD ARG A 34 13.051 -21.359 -5.892 1.00 0.52 C ATOM 497 NE ARG A 34 14.037 -21.216 -6.999 1.00 0.53 N ATOM 498 CZ ARG A 34 13.889 -21.904 -8.098 1.00 0.57 C ATOM 499 NH1 ARG A 34 13.096 -21.469 -9.038 1.00 0.63 N ATOM 500 NH2 ARG A 34 14.534 -23.028 -8.259 1.00 0.77 N ATOM 0 H ARG A 34 13.509 -17.261 -4.235 1.00 0.64 H new ATOM 0 HA ARG A 34 12.524 -18.100 -6.964 1.00 0.63 H new ATOM 0 HB2 ARG A 34 11.603 -18.968 -4.176 1.00 0.61 H new ATOM 0 HB3 ARG A 34 11.210 -19.726 -5.706 1.00 0.61 H new ATOM 0 HG2 ARG A 34 14.123 -19.560 -5.355 1.00 0.56 H new ATOM 0 HG3 ARG A 34 13.385 -20.380 -3.993 1.00 0.56 H new ATOM 0 HD2 ARG A 34 13.237 -22.263 -5.311 1.00 0.52 H new ATOM 0 HD3 ARG A 34 12.034 -21.431 -6.276 1.00 0.52 H new ATOM 0 HE ARG A 34 14.828 -20.580 -6.898 1.00 0.53 H new ATOM 0 HH11 ARG A 34 12.592 -20.591 -8.914 1.00 0.63 H new ATOM 0 HH12 ARG A 34 12.980 -22.007 -9.897 1.00 0.63 H new ATOM 0 HH21 ARG A 34 15.155 -23.369 -7.525 1.00 0.77 H new ATOM 0 HH22 ARG A 34 14.417 -23.564 -9.119 1.00 0.77 H new ATOM 514 N GLY A 35 11.559 -15.763 -5.130 1.00 0.61 N ATOM 515 CA GLY A 35 10.538 -14.681 -4.989 1.00 0.64 C ATOM 516 C GLY A 35 9.643 -14.947 -3.775 1.00 0.57 C ATOM 517 O GLY A 35 9.234 -16.064 -3.534 1.00 0.54 O ATOM 0 H GLY A 35 12.458 -15.568 -4.690 1.00 0.61 H new ATOM 0 HA2 GLY A 35 11.034 -13.716 -4.879 1.00 0.64 H new ATOM 0 HA3 GLY A 35 9.930 -14.626 -5.892 1.00 0.64 H new ATOM 521 N PRO A 36 9.359 -13.892 -3.058 1.00 0.60 N ATOM 522 CA PRO A 36 8.491 -13.987 -1.858 1.00 0.57 C ATOM 523 C PRO A 36 7.038 -14.209 -2.282 1.00 0.53 C ATOM 524 O PRO A 36 6.742 -14.383 -3.447 1.00 0.54 O ATOM 525 CB PRO A 36 8.653 -12.625 -1.187 1.00 0.69 C ATOM 526 CG PRO A 36 9.052 -11.699 -2.291 1.00 0.77 C ATOM 527 CD PRO A 36 9.817 -12.518 -3.296 1.00 0.73 C ATOM 0 HA PRO A 36 8.755 -14.814 -1.199 1.00 0.57 H new ATOM 0 HB2 PRO A 36 7.724 -12.303 -0.717 1.00 0.69 H new ATOM 0 HB3 PRO A 36 9.411 -12.657 -0.405 1.00 0.69 H new ATOM 0 HG2 PRO A 36 8.174 -11.246 -2.751 1.00 0.77 H new ATOM 0 HG3 PRO A 36 9.667 -10.885 -1.908 1.00 0.77 H new ATOM 0 HD2 PRO A 36 9.605 -12.198 -4.316 1.00 0.73 H new ATOM 0 HD3 PRO A 36 10.893 -12.425 -3.150 1.00 0.73 H new ATOM 535 N VAL A 37 6.128 -14.191 -1.350 1.00 0.51 N ATOM 536 CA VAL A 37 4.699 -14.387 -1.711 1.00 0.47 C ATOM 537 C VAL A 37 3.905 -13.156 -1.309 1.00 0.46 C ATOM 538 O VAL A 37 4.332 -12.359 -0.497 1.00 0.49 O ATOM 539 CB VAL A 37 4.248 -15.625 -0.934 1.00 0.50 C ATOM 540 CG1 VAL A 37 2.720 -15.709 -0.932 1.00 0.56 C ATOM 541 CG2 VAL A 37 4.826 -16.875 -1.602 1.00 0.55 C ATOM 0 H VAL A 37 6.312 -14.049 -0.357 1.00 0.51 H new ATOM 0 HA VAL A 37 4.548 -14.527 -2.781 1.00 0.47 H new ATOM 0 HB VAL A 37 4.603 -15.557 0.094 1.00 0.50 H new ATOM 0 HG11 VAL A 37 2.405 -16.593 -0.377 1.00 0.56 H new ATOM 0 HG12 VAL A 37 2.307 -14.818 -0.460 1.00 0.56 H new ATOM 0 HG13 VAL A 37 2.358 -15.777 -1.958 1.00 0.56 H new ATOM 0 HG21 VAL A 37 4.508 -17.761 -1.053 1.00 0.55 H new ATOM 0 HG22 VAL A 37 4.468 -16.937 -2.630 1.00 0.55 H new ATOM 0 HG23 VAL A 37 5.915 -16.818 -1.600 1.00 0.55 H new ATOM 551 N ILE A 38 2.772 -12.977 -1.906 1.00 0.47 N ATOM 552 CA ILE A 38 1.960 -11.777 -1.607 1.00 0.47 C ATOM 553 C ILE A 38 0.470 -12.103 -1.751 1.00 0.46 C ATOM 554 O ILE A 38 -0.015 -12.384 -2.830 1.00 0.55 O ATOM 555 CB ILE A 38 2.446 -10.779 -2.665 1.00 0.57 C ATOM 556 CG1 ILE A 38 3.547 -9.900 -2.066 1.00 0.59 C ATOM 557 CG2 ILE A 38 1.296 -9.892 -3.157 1.00 0.64 C ATOM 558 CD1 ILE A 38 4.609 -9.618 -3.130 1.00 0.59 C ATOM 0 H ILE A 38 2.369 -13.614 -2.593 1.00 0.47 H new ATOM 0 HA ILE A 38 2.070 -11.393 -0.593 1.00 0.47 H new ATOM 0 HB ILE A 38 2.835 -11.340 -3.515 1.00 0.57 H new ATOM 0 HG12 ILE A 38 3.123 -8.964 -1.703 1.00 0.59 H new ATOM 0 HG13 ILE A 38 3.999 -10.399 -1.209 1.00 0.59 H new ATOM 0 HG21 ILE A 38 1.670 -9.194 -3.906 1.00 0.64 H new ATOM 0 HG22 ILE A 38 0.518 -10.516 -3.598 1.00 0.64 H new ATOM 0 HG23 ILE A 38 0.881 -9.335 -2.317 1.00 0.64 H new ATOM 0 HD11 ILE A 38 5.393 -8.992 -2.704 1.00 0.59 H new ATOM 0 HD12 ILE A 38 5.041 -10.559 -3.471 1.00 0.59 H new ATOM 0 HD13 ILE A 38 4.151 -9.102 -3.974 1.00 0.59 H new ATOM 570 N GLU A 39 -0.256 -12.062 -0.671 1.00 0.42 N ATOM 571 CA GLU A 39 -1.711 -12.366 -0.739 1.00 0.41 C ATOM 572 C GLU A 39 -2.515 -11.146 -0.290 1.00 0.40 C ATOM 573 O GLU A 39 -2.194 -10.504 0.689 1.00 0.40 O ATOM 574 CB GLU A 39 -1.932 -13.525 0.239 1.00 0.42 C ATOM 575 CG GLU A 39 -1.142 -14.758 -0.212 1.00 0.47 C ATOM 576 CD GLU A 39 -1.217 -15.834 0.874 1.00 0.47 C ATOM 577 OE1 GLU A 39 -1.844 -15.581 1.890 1.00 0.49 O ATOM 578 OE2 GLU A 39 -0.646 -16.894 0.674 1.00 0.52 O ATOM 0 H GLU A 39 0.096 -11.831 0.258 1.00 0.42 H new ATOM 0 HA GLU A 39 -2.029 -12.621 -1.750 1.00 0.41 H new ATOM 0 HB2 GLU A 39 -1.619 -13.230 1.240 1.00 0.42 H new ATOM 0 HB3 GLU A 39 -2.994 -13.765 0.295 1.00 0.42 H new ATOM 0 HG2 GLU A 39 -1.548 -15.141 -1.148 1.00 0.47 H new ATOM 0 HG3 GLU A 39 -0.103 -14.489 -0.402 1.00 0.47 H new ATOM 585 N GLN A 40 -3.564 -10.825 -0.990 1.00 0.42 N ATOM 586 CA GLN A 40 -4.391 -9.654 -0.592 1.00 0.45 C ATOM 587 C GLN A 40 -5.871 -10.015 -0.716 1.00 0.47 C ATOM 588 O GLN A 40 -6.228 -10.970 -1.378 1.00 0.51 O ATOM 589 CB GLN A 40 -4.018 -8.542 -1.575 1.00 0.50 C ATOM 590 CG GLN A 40 -4.643 -8.833 -2.941 1.00 0.53 C ATOM 591 CD GLN A 40 -3.607 -8.593 -4.042 1.00 0.59 C ATOM 592 OE1 GLN A 40 -3.871 -7.884 -4.993 1.00 0.71 O ATOM 593 NE2 GLN A 40 -2.434 -9.157 -3.956 1.00 0.54 N ATOM 0 H GLN A 40 -3.885 -11.322 -1.821 1.00 0.42 H new ATOM 0 HA GLN A 40 -4.216 -9.346 0.439 1.00 0.45 H new ATOM 0 HB2 GLN A 40 -4.368 -7.580 -1.201 1.00 0.50 H new ATOM 0 HB3 GLN A 40 -2.934 -8.473 -1.667 1.00 0.50 H new ATOM 0 HG2 GLN A 40 -4.996 -9.864 -2.978 1.00 0.53 H new ATOM 0 HG3 GLN A 40 -5.511 -8.193 -3.099 1.00 0.53 H new ATOM 0 HE21 GLN A 40 -2.212 -9.752 -3.158 1.00 0.54 H new ATOM 0 HE22 GLN A 40 -1.739 -9.003 -4.687 1.00 0.54 H new ATOM 602 N GLY A 41 -6.739 -9.269 -0.092 1.00 0.47 N ATOM 603 CA GLY A 41 -8.189 -9.595 -0.194 1.00 0.48 C ATOM 604 C GLY A 41 -8.964 -8.893 0.920 1.00 0.46 C ATOM 605 O GLY A 41 -8.774 -7.722 1.178 1.00 0.49 O ATOM 0 H GLY A 41 -6.511 -8.455 0.479 1.00 0.47 H new ATOM 0 HA2 GLY A 41 -8.572 -9.284 -1.166 1.00 0.48 H new ATOM 0 HA3 GLY A 41 -8.333 -10.673 -0.124 1.00 0.48 H new ATOM 609 N CYS A 42 -9.841 -9.604 1.580 1.00 0.44 N ATOM 610 CA CYS A 42 -10.644 -8.984 2.677 1.00 0.47 C ATOM 611 C CYS A 42 -10.359 -9.690 4.009 1.00 0.48 C ATOM 612 O CYS A 42 -10.015 -10.855 4.044 1.00 0.56 O ATOM 613 CB CYS A 42 -12.106 -9.214 2.283 1.00 0.48 C ATOM 614 SG CYS A 42 -12.473 -8.422 0.697 1.00 0.46 S ATOM 0 H CYS A 42 -10.036 -10.590 1.406 1.00 0.44 H new ATOM 0 HA CYS A 42 -10.406 -7.928 2.804 1.00 0.47 H new ATOM 0 HB2 CYS A 42 -12.306 -10.283 2.216 1.00 0.48 H new ATOM 0 HB3 CYS A 42 -12.763 -8.815 3.055 1.00 0.48 H new ATOM 619 N VAL A 43 -10.518 -8.998 5.106 1.00 0.42 N ATOM 620 CA VAL A 43 -10.274 -9.638 6.433 1.00 0.42 C ATOM 621 C VAL A 43 -11.072 -8.913 7.523 1.00 0.39 C ATOM 622 O VAL A 43 -12.002 -9.454 8.085 1.00 0.46 O ATOM 623 CB VAL A 43 -8.770 -9.506 6.680 1.00 0.48 C ATOM 624 CG1 VAL A 43 -8.470 -9.711 8.167 1.00 0.53 C ATOM 625 CG2 VAL A 43 -8.032 -10.567 5.865 1.00 0.53 C ATOM 0 H VAL A 43 -10.805 -8.020 5.141 1.00 0.42 H new ATOM 0 HA VAL A 43 -10.590 -10.681 6.450 1.00 0.42 H new ATOM 0 HB VAL A 43 -8.439 -8.512 6.379 1.00 0.48 H new ATOM 0 HG11 VAL A 43 -7.398 -9.616 8.338 1.00 0.53 H new ATOM 0 HG12 VAL A 43 -8.999 -8.959 8.752 1.00 0.53 H new ATOM 0 HG13 VAL A 43 -8.799 -10.705 8.471 1.00 0.53 H new ATOM 0 HG21 VAL A 43 -6.959 -10.477 6.037 1.00 0.53 H new ATOM 0 HG22 VAL A 43 -8.367 -11.558 6.170 1.00 0.53 H new ATOM 0 HG23 VAL A 43 -8.242 -10.423 4.805 1.00 0.53 H new ATOM 635 N ALA A 44 -10.714 -7.695 7.827 1.00 0.44 N ATOM 636 CA ALA A 44 -11.453 -6.945 8.884 1.00 0.43 C ATOM 637 C ALA A 44 -10.800 -5.583 9.114 1.00 0.47 C ATOM 638 O ALA A 44 -11.353 -4.550 8.796 1.00 0.54 O ATOM 639 CB ALA A 44 -11.336 -7.814 10.138 1.00 0.55 C ATOM 0 H ALA A 44 -9.944 -7.188 7.391 1.00 0.44 H new ATOM 0 HA ALA A 44 -12.492 -6.759 8.612 1.00 0.43 H new ATOM 0 HB1 ALA A 44 -11.856 -7.331 10.965 1.00 0.55 H new ATOM 0 HB2 ALA A 44 -11.784 -8.789 9.948 1.00 0.55 H new ATOM 0 HB3 ALA A 44 -10.285 -7.942 10.395 1.00 0.55 H new ATOM 645 N THR A 45 -9.622 -5.583 9.664 1.00 0.54 N ATOM 646 CA THR A 45 -8.910 -4.301 9.923 1.00 0.65 C ATOM 647 C THR A 45 -7.443 -4.447 9.519 1.00 0.57 C ATOM 648 O THR A 45 -6.840 -5.478 9.736 1.00 0.59 O ATOM 649 CB THR A 45 -9.032 -4.083 11.432 1.00 0.86 C ATOM 650 OG1 THR A 45 -10.405 -4.051 11.795 1.00 1.02 O ATOM 651 CG2 THR A 45 -8.370 -2.759 11.818 1.00 0.96 C ATOM 0 H THR A 45 -9.116 -6.422 9.948 1.00 0.54 H new ATOM 0 HA THR A 45 -9.323 -3.464 9.359 1.00 0.65 H new ATOM 0 HB THR A 45 -8.535 -4.899 11.956 1.00 0.86 H new ATOM 0 HG1 THR A 45 -10.485 -3.913 12.762 1.00 1.02 H new ATOM 0 HG21 THR A 45 -8.459 -2.608 12.894 1.00 0.96 H new ATOM 0 HG22 THR A 45 -7.316 -2.785 11.541 1.00 0.96 H new ATOM 0 HG23 THR A 45 -8.862 -1.940 11.294 1.00 0.96 H new ATOM 659 N CYS A 46 -6.859 -3.433 8.938 1.00 0.56 N ATOM 660 CA CYS A 46 -5.427 -3.547 8.539 1.00 0.54 C ATOM 661 C CYS A 46 -4.645 -4.189 9.683 1.00 0.64 C ATOM 662 O CYS A 46 -4.784 -3.794 10.825 1.00 0.74 O ATOM 663 CB CYS A 46 -4.947 -2.113 8.302 1.00 0.50 C ATOM 664 SG CYS A 46 -5.075 -1.711 6.541 1.00 0.46 S ATOM 0 H CYS A 46 -7.305 -2.541 8.725 1.00 0.56 H new ATOM 0 HA CYS A 46 -5.288 -4.160 7.648 1.00 0.54 H new ATOM 0 HB2 CYS A 46 -5.546 -1.417 8.889 1.00 0.50 H new ATOM 0 HB3 CYS A 46 -3.915 -2.005 8.636 1.00 0.50 H new ATOM 669 N PRO A 47 -3.855 -5.168 9.347 1.00 0.65 N ATOM 670 CA PRO A 47 -3.059 -5.874 10.373 1.00 0.74 C ATOM 671 C PRO A 47 -1.961 -4.963 10.910 1.00 0.79 C ATOM 672 O PRO A 47 -1.865 -3.812 10.543 1.00 0.81 O ATOM 673 CB PRO A 47 -2.476 -7.068 9.621 1.00 0.69 C ATOM 674 CG PRO A 47 -2.467 -6.653 8.186 1.00 0.66 C ATOM 675 CD PRO A 47 -3.622 -5.702 8.001 1.00 0.63 C ATOM 0 HA PRO A 47 -3.645 -6.179 11.240 1.00 0.74 H new ATOM 0 HB2 PRO A 47 -1.470 -7.302 9.971 1.00 0.69 H new ATOM 0 HB3 PRO A 47 -3.081 -7.962 9.770 1.00 0.69 H new ATOM 0 HG2 PRO A 47 -1.524 -6.171 7.929 1.00 0.66 H new ATOM 0 HG3 PRO A 47 -2.571 -7.519 7.532 1.00 0.66 H new ATOM 0 HD2 PRO A 47 -3.378 -4.910 7.293 1.00 0.63 H new ATOM 0 HD3 PRO A 47 -4.504 -6.214 7.616 1.00 0.63 H new ATOM 683 N GLN A 48 -1.162 -5.475 11.800 1.00 0.91 N ATOM 684 CA GLN A 48 -0.075 -4.679 12.405 1.00 0.99 C ATOM 685 C GLN A 48 0.904 -4.205 11.330 1.00 0.76 C ATOM 686 O GLN A 48 2.069 -4.549 11.330 1.00 0.76 O ATOM 687 CB GLN A 48 0.603 -5.637 13.384 1.00 1.25 C ATOM 688 CG GLN A 48 1.198 -4.847 14.550 1.00 1.58 C ATOM 689 CD GLN A 48 0.575 -5.330 15.862 1.00 1.97 C ATOM 690 OE1 GLN A 48 0.232 -6.488 15.995 1.00 2.06 O ATOM 691 NE2 GLN A 48 0.414 -4.487 16.844 1.00 2.31 N ATOM 0 H GLN A 48 -1.223 -6.435 12.138 1.00 0.91 H new ATOM 0 HA GLN A 48 -0.440 -3.780 12.901 1.00 0.99 H new ATOM 0 HB2 GLN A 48 -0.119 -6.364 13.756 1.00 1.25 H new ATOM 0 HB3 GLN A 48 1.387 -6.198 12.875 1.00 1.25 H new ATOM 0 HG2 GLN A 48 2.280 -4.978 14.578 1.00 1.58 H new ATOM 0 HG3 GLN A 48 1.010 -3.782 14.416 1.00 1.58 H new ATOM 0 HE21 GLN A 48 0.702 -3.515 16.734 1.00 2.31 H new ATOM 0 HE22 GLN A 48 0.001 -4.800 17.722 1.00 2.31 H new ATOM 700 N PHE A 49 0.425 -3.416 10.420 1.00 0.68 N ATOM 701 CA PHE A 49 1.295 -2.892 9.327 1.00 0.53 C ATOM 702 C PHE A 49 2.660 -2.486 9.895 1.00 0.48 C ATOM 703 O PHE A 49 2.773 -1.527 10.631 1.00 0.57 O ATOM 704 CB PHE A 49 0.552 -1.660 8.796 1.00 0.72 C ATOM 705 CG PHE A 49 -0.111 -1.972 7.470 1.00 0.54 C ATOM 706 CD1 PHE A 49 -1.271 -2.760 7.425 1.00 0.56 C ATOM 707 CD2 PHE A 49 0.430 -1.460 6.283 1.00 0.43 C ATOM 708 CE1 PHE A 49 -1.885 -3.034 6.193 1.00 0.44 C ATOM 709 CE2 PHE A 49 -0.188 -1.733 5.054 1.00 0.33 C ATOM 710 CZ PHE A 49 -1.344 -2.520 5.011 1.00 0.28 C ATOM 0 H PHE A 49 -0.545 -3.104 10.381 1.00 0.68 H new ATOM 0 HA PHE A 49 1.478 -3.631 8.547 1.00 0.53 H new ATOM 0 HB2 PHE A 49 -0.199 -1.341 9.519 1.00 0.72 H new ATOM 0 HB3 PHE A 49 1.250 -0.831 8.675 1.00 0.72 H new ATOM 0 HD1 PHE A 49 -1.691 -3.156 8.338 1.00 0.56 H new ATOM 0 HD2 PHE A 49 1.324 -0.855 6.315 1.00 0.43 H new ATOM 0 HE1 PHE A 49 -2.776 -3.643 6.158 1.00 0.44 H new ATOM 0 HE2 PHE A 49 0.229 -1.336 4.140 1.00 0.33 H new ATOM 0 HZ PHE A 49 -1.819 -2.731 4.064 1.00 0.28 H new ATOM 720 N ARG A 50 3.698 -3.208 9.563 1.00 0.40 N ATOM 721 CA ARG A 50 5.046 -2.854 10.096 1.00 0.38 C ATOM 722 C ARG A 50 6.020 -2.571 8.950 1.00 0.35 C ATOM 723 O ARG A 50 5.904 -3.116 7.870 1.00 0.35 O ATOM 724 CB ARG A 50 5.506 -4.075 10.888 1.00 0.38 C ATOM 725 CG ARG A 50 6.646 -3.673 11.825 1.00 0.34 C ATOM 726 CD ARG A 50 6.197 -3.864 13.274 1.00 0.42 C ATOM 727 NE ARG A 50 6.707 -5.207 13.660 1.00 0.62 N ATOM 728 CZ ARG A 50 6.287 -5.771 14.758 1.00 0.86 C ATOM 729 NH1 ARG A 50 6.783 -5.405 15.907 1.00 1.44 N ATOM 730 NH2 ARG A 50 5.373 -6.700 14.707 1.00 1.18 N ATOM 0 H ARG A 50 3.671 -4.023 8.950 1.00 0.40 H new ATOM 0 HA ARG A 50 5.010 -1.957 10.714 1.00 0.38 H new ATOM 0 HB2 ARG A 50 4.675 -4.483 11.463 1.00 0.38 H new ATOM 0 HB3 ARG A 50 5.839 -4.859 10.208 1.00 0.38 H new ATOM 0 HG2 ARG A 50 7.530 -4.278 11.623 1.00 0.34 H new ATOM 0 HG3 ARG A 50 6.925 -2.634 11.652 1.00 0.34 H new ATOM 0 HD2 ARG A 50 6.605 -3.086 13.920 1.00 0.42 H new ATOM 0 HD3 ARG A 50 5.112 -3.814 13.361 1.00 0.42 H new ATOM 0 HE ARG A 50 7.384 -5.686 13.067 1.00 0.62 H new ATOM 0 HH11 ARG A 50 7.498 -4.679 15.946 1.00 1.44 H new ATOM 0 HH12 ARG A 50 6.456 -5.845 16.767 1.00 1.44 H new ATOM 0 HH21 ARG A 50 4.986 -6.986 13.808 1.00 1.18 H new ATOM 0 HH22 ARG A 50 5.045 -7.141 15.567 1.00 1.18 H new ATOM 744 N SER A 51 6.985 -1.721 9.183 1.00 0.38 N ATOM 745 CA SER A 51 7.981 -1.394 8.118 1.00 0.42 C ATOM 746 C SER A 51 9.023 -2.514 7.961 1.00 0.38 C ATOM 747 O SER A 51 10.092 -2.298 7.424 1.00 0.53 O ATOM 748 CB SER A 51 8.653 -0.103 8.586 1.00 0.60 C ATOM 749 OG SER A 51 9.515 -0.389 9.680 1.00 0.69 O ATOM 0 H SER A 51 7.128 -1.236 10.069 1.00 0.38 H new ATOM 0 HA SER A 51 7.503 -1.285 7.145 1.00 0.42 H new ATOM 0 HB2 SER A 51 9.220 0.342 7.768 1.00 0.60 H new ATOM 0 HB3 SER A 51 7.899 0.625 8.884 1.00 0.60 H new ATOM 0 HG SER A 51 9.948 0.437 9.980 1.00 0.69 H new ATOM 755 N ASN A 52 8.736 -3.706 8.422 1.00 0.32 N ATOM 756 CA ASN A 52 9.731 -4.808 8.285 1.00 0.32 C ATOM 757 C ASN A 52 9.156 -5.944 7.434 1.00 0.32 C ATOM 758 O ASN A 52 9.655 -7.053 7.441 1.00 0.39 O ATOM 759 CB ASN A 52 9.994 -5.289 9.712 1.00 0.35 C ATOM 760 CG ASN A 52 11.490 -5.543 9.897 1.00 0.36 C ATOM 761 OD1 ASN A 52 11.937 -6.672 9.870 1.00 0.41 O ATOM 762 ND2 ASN A 52 12.291 -4.530 10.087 1.00 0.44 N ATOM 0 H ASN A 52 7.863 -3.960 8.883 1.00 0.32 H new ATOM 0 HA ASN A 52 10.644 -4.475 7.792 1.00 0.32 H new ATOM 0 HB2 ASN A 52 9.650 -4.543 10.428 1.00 0.35 H new ATOM 0 HB3 ASN A 52 9.432 -6.202 9.909 1.00 0.35 H new ATOM 0 HD21 ASN A 52 13.291 -4.687 10.213 1.00 0.44 H new ATOM 0 HD22 ASN A 52 11.917 -3.581 10.110 1.00 0.44 H new ATOM 769 N TYR A 53 8.118 -5.673 6.690 1.00 0.29 N ATOM 770 CA TYR A 53 7.520 -6.726 5.825 1.00 0.33 C ATOM 771 C TYR A 53 8.051 -6.559 4.396 1.00 0.34 C ATOM 772 O TYR A 53 9.169 -6.131 4.194 1.00 0.44 O ATOM 773 CB TYR A 53 6.009 -6.483 5.892 1.00 0.39 C ATOM 774 CG TYR A 53 5.494 -6.891 7.252 1.00 0.33 C ATOM 775 CD1 TYR A 53 5.684 -8.201 7.709 1.00 0.31 C ATOM 776 CD2 TYR A 53 4.827 -5.959 8.057 1.00 0.45 C ATOM 777 CE1 TYR A 53 5.209 -8.579 8.969 1.00 0.35 C ATOM 778 CE2 TYR A 53 4.352 -6.339 9.319 1.00 0.49 C ATOM 779 CZ TYR A 53 4.544 -7.648 9.775 1.00 0.42 C ATOM 780 OH TYR A 53 4.075 -8.022 11.018 1.00 0.50 O ATOM 0 H TYR A 53 7.658 -4.764 6.645 1.00 0.29 H new ATOM 0 HA TYR A 53 7.767 -7.739 6.144 1.00 0.33 H new ATOM 0 HB2 TYR A 53 5.790 -5.431 5.709 1.00 0.39 H new ATOM 0 HB3 TYR A 53 5.503 -7.054 5.113 1.00 0.39 H new ATOM 0 HD1 TYR A 53 6.198 -8.920 7.088 1.00 0.31 H new ATOM 0 HD2 TYR A 53 4.679 -4.949 7.705 1.00 0.45 H new ATOM 0 HE1 TYR A 53 5.355 -9.590 9.320 1.00 0.35 H new ATOM 0 HE2 TYR A 53 3.837 -5.621 9.940 1.00 0.49 H new ATOM 0 HH TYR A 53 3.639 -7.256 11.447 1.00 0.50 H new ATOM 790 N ARG A 54 7.273 -6.888 3.401 1.00 0.34 N ATOM 791 CA ARG A 54 7.764 -6.737 2.002 1.00 0.40 C ATOM 792 C ARG A 54 6.886 -5.746 1.234 1.00 0.42 C ATOM 793 O ARG A 54 7.317 -5.145 0.267 1.00 0.57 O ATOM 794 CB ARG A 54 7.649 -8.136 1.395 1.00 0.47 C ATOM 795 CG ARG A 54 8.713 -8.316 0.310 1.00 0.52 C ATOM 796 CD ARG A 54 10.032 -8.750 0.955 1.00 0.50 C ATOM 797 NE ARG A 54 10.940 -7.579 0.795 1.00 0.59 N ATOM 798 CZ ARG A 54 11.631 -7.435 -0.302 1.00 0.62 C ATOM 799 NH1 ARG A 54 11.153 -7.867 -1.436 1.00 0.71 N ATOM 800 NH2 ARG A 54 12.799 -6.854 -0.266 1.00 0.71 N ATOM 0 H ARG A 54 6.325 -7.252 3.495 1.00 0.34 H new ATOM 0 HA ARG A 54 8.783 -6.353 1.960 1.00 0.40 H new ATOM 0 HB2 ARG A 54 7.775 -8.891 2.171 1.00 0.47 H new ATOM 0 HB3 ARG A 54 6.655 -8.278 0.971 1.00 0.47 H new ATOM 0 HG2 ARG A 54 8.387 -9.063 -0.414 1.00 0.52 H new ATOM 0 HG3 ARG A 54 8.853 -7.383 -0.236 1.00 0.52 H new ATOM 0 HD2 ARG A 54 9.894 -9.002 2.006 1.00 0.50 H new ATOM 0 HD3 ARG A 54 10.439 -9.635 0.466 1.00 0.50 H new ATOM 0 HE ARG A 54 11.021 -6.890 1.543 1.00 0.59 H new ATOM 0 HH11 ARG A 54 10.238 -8.318 -1.465 1.00 0.71 H new ATOM 0 HH12 ARG A 54 11.694 -7.754 -2.293 1.00 0.71 H new ATOM 0 HH21 ARG A 54 13.172 -6.512 0.620 1.00 0.71 H new ATOM 0 HH22 ARG A 54 13.339 -6.741 -1.124 1.00 0.71 H new ATOM 814 N SER A 55 5.661 -5.567 1.656 1.00 0.36 N ATOM 815 CA SER A 55 4.749 -4.610 0.950 1.00 0.37 C ATOM 816 C SER A 55 3.306 -4.826 1.388 1.00 0.36 C ATOM 817 O SER A 55 2.705 -5.846 1.113 1.00 0.38 O ATOM 818 CB SER A 55 4.906 -4.919 -0.540 1.00 0.36 C ATOM 819 OG SER A 55 3.622 -5.086 -1.130 1.00 0.44 O ATOM 0 H SER A 55 5.250 -6.042 2.460 1.00 0.36 H new ATOM 0 HA SER A 55 4.998 -3.573 1.177 1.00 0.37 H new ATOM 0 HB2 SER A 55 5.443 -4.110 -1.035 1.00 0.36 H new ATOM 0 HB3 SER A 55 5.499 -5.823 -0.674 1.00 0.36 H new ATOM 0 HG SER A 55 3.724 -5.283 -2.085 1.00 0.44 H new ATOM 825 N LEU A 56 2.744 -3.867 2.063 1.00 0.37 N ATOM 826 CA LEU A 56 1.335 -3.999 2.516 1.00 0.36 C ATOM 827 C LEU A 56 0.486 -2.872 1.920 1.00 0.41 C ATOM 828 O LEU A 56 0.954 -1.768 1.721 1.00 0.50 O ATOM 829 CB LEU A 56 1.399 -3.880 4.037 1.00 0.45 C ATOM 830 CG LEU A 56 2.241 -5.024 4.604 1.00 0.30 C ATOM 831 CD1 LEU A 56 3.114 -4.503 5.743 1.00 0.48 C ATOM 832 CD2 LEU A 56 1.313 -6.116 5.137 1.00 0.28 C ATOM 0 H LEU A 56 3.202 -2.993 2.322 1.00 0.37 H new ATOM 0 HA LEU A 56 0.881 -4.939 2.201 1.00 0.36 H new ATOM 0 HB2 LEU A 56 1.833 -2.921 4.319 1.00 0.45 H new ATOM 0 HB3 LEU A 56 0.394 -3.911 4.457 1.00 0.45 H new ATOM 0 HG LEU A 56 2.877 -5.431 3.818 1.00 0.30 H new ATOM 0 HD11 LEU A 56 3.713 -5.320 6.145 1.00 0.48 H new ATOM 0 HD12 LEU A 56 3.773 -3.720 5.367 1.00 0.48 H new ATOM 0 HD13 LEU A 56 2.480 -4.096 6.531 1.00 0.48 H new ATOM 0 HD21 LEU A 56 1.909 -6.934 5.542 1.00 0.28 H new ATOM 0 HD22 LEU A 56 0.680 -5.704 5.923 1.00 0.28 H new ATOM 0 HD23 LEU A 56 0.688 -6.490 4.326 1.00 0.28 H new ATOM 844 N LEU A 57 -0.759 -3.136 1.643 1.00 0.39 N ATOM 845 CA LEU A 57 -1.639 -2.075 1.073 1.00 0.46 C ATOM 846 C LEU A 57 -2.810 -1.822 2.013 1.00 0.43 C ATOM 847 O LEU A 57 -3.837 -2.460 1.920 1.00 0.54 O ATOM 848 CB LEU A 57 -2.142 -2.638 -0.255 1.00 0.52 C ATOM 849 CG LEU A 57 -1.261 -2.128 -1.392 1.00 0.55 C ATOM 850 CD1 LEU A 57 -0.195 -3.173 -1.724 1.00 0.55 C ATOM 851 CD2 LEU A 57 -2.127 -1.871 -2.626 1.00 0.64 C ATOM 0 H LEU A 57 -1.207 -4.041 1.786 1.00 0.39 H new ATOM 0 HA LEU A 57 -1.113 -1.130 0.938 1.00 0.46 H new ATOM 0 HB2 LEU A 57 -2.126 -3.728 -0.229 1.00 0.52 H new ATOM 0 HB3 LEU A 57 -3.177 -2.338 -0.420 1.00 0.52 H new ATOM 0 HG LEU A 57 -0.774 -1.202 -1.088 1.00 0.55 H new ATOM 0 HD11 LEU A 57 0.433 -2.807 -2.536 1.00 0.55 H new ATOM 0 HD12 LEU A 57 0.421 -3.357 -0.844 1.00 0.55 H new ATOM 0 HD13 LEU A 57 -0.678 -4.101 -2.029 1.00 0.55 H new ATOM 0 HD21 LEU A 57 -1.501 -1.506 -3.440 1.00 0.64 H new ATOM 0 HD22 LEU A 57 -2.613 -2.798 -2.929 1.00 0.64 H new ATOM 0 HD23 LEU A 57 -2.885 -1.125 -2.389 1.00 0.64 H new ATOM 863 N CYS A 58 -2.670 -0.900 2.920 1.00 0.41 N ATOM 864 CA CYS A 58 -3.791 -0.632 3.855 1.00 0.40 C ATOM 865 C CYS A 58 -4.848 0.230 3.170 1.00 0.36 C ATOM 866 O CYS A 58 -4.736 1.438 3.101 1.00 0.47 O ATOM 867 CB CYS A 58 -3.169 0.111 5.038 1.00 0.50 C ATOM 868 SG CYS A 58 -4.355 0.174 6.406 1.00 0.65 S ATOM 0 H CYS A 58 -1.837 -0.326 3.053 1.00 0.41 H new ATOM 0 HA CYS A 58 -4.286 -1.549 4.176 1.00 0.40 H new ATOM 0 HB2 CYS A 58 -2.256 -0.392 5.357 1.00 0.50 H new ATOM 0 HB3 CYS A 58 -2.889 1.121 4.739 1.00 0.50 H new ATOM 873 N CYS A 59 -5.881 -0.390 2.680 1.00 0.26 N ATOM 874 CA CYS A 59 -6.968 0.373 2.014 1.00 0.23 C ATOM 875 C CYS A 59 -8.246 0.169 2.813 1.00 0.18 C ATOM 876 O CYS A 59 -9.094 1.037 2.892 1.00 0.29 O ATOM 877 CB CYS A 59 -7.108 -0.242 0.621 1.00 0.28 C ATOM 878 SG CYS A 59 -6.041 0.642 -0.542 1.00 0.30 S ATOM 0 H CYS A 59 -6.020 -1.400 2.713 1.00 0.26 H new ATOM 0 HA CYS A 59 -6.764 1.442 1.950 1.00 0.23 H new ATOM 0 HB2 CYS A 59 -6.837 -1.297 0.649 1.00 0.28 H new ATOM 0 HB3 CYS A 59 -8.146 -0.188 0.291 1.00 0.28 H new ATOM 883 N THR A 60 -8.371 -0.971 3.430 1.00 0.23 N ATOM 884 CA THR A 60 -9.573 -1.240 4.254 1.00 0.24 C ATOM 885 C THR A 60 -10.831 -0.793 3.498 1.00 0.18 C ATOM 886 O THR A 60 -11.842 -0.458 4.085 1.00 0.23 O ATOM 887 CB THR A 60 -9.340 -0.422 5.532 1.00 0.34 C ATOM 888 OG1 THR A 60 -9.594 0.952 5.266 1.00 0.39 O ATOM 889 CG2 THR A 60 -7.881 -0.599 5.990 1.00 0.42 C ATOM 0 H THR A 60 -7.689 -1.729 3.397 1.00 0.23 H new ATOM 0 HA THR A 60 -9.723 -2.295 4.481 1.00 0.24 H new ATOM 0 HB THR A 60 -10.012 -0.768 6.318 1.00 0.34 H new ATOM 0 HG1 THR A 60 -9.584 1.105 4.298 1.00 0.39 H new ATOM 0 HG21 THR A 60 -7.712 -0.019 6.897 1.00 0.42 H new ATOM 0 HG22 THR A 60 -7.688 -1.653 6.191 1.00 0.42 H new ATOM 0 HG23 THR A 60 -7.209 -0.250 5.206 1.00 0.42 H new ATOM 897 N THR A 61 -10.768 -0.802 2.189 1.00 0.17 N ATOM 898 CA THR A 61 -11.945 -0.399 1.361 1.00 0.19 C ATOM 899 C THR A 61 -12.102 -1.366 0.180 1.00 0.18 C ATOM 900 O THR A 61 -11.194 -2.105 -0.149 1.00 0.28 O ATOM 901 CB THR A 61 -11.617 1.007 0.856 1.00 0.28 C ATOM 902 OG1 THR A 61 -10.428 0.963 0.078 1.00 0.33 O ATOM 903 CG2 THR A 61 -11.418 1.949 2.046 1.00 0.30 C ATOM 0 H THR A 61 -9.943 -1.074 1.655 1.00 0.17 H new ATOM 0 HA THR A 61 -12.877 -0.419 1.926 1.00 0.19 H new ATOM 0 HB THR A 61 -12.440 1.373 0.243 1.00 0.28 H new ATOM 0 HG1 THR A 61 -10.217 1.863 -0.248 1.00 0.33 H new ATOM 0 HG21 THR A 61 -11.184 2.950 1.683 1.00 0.30 H new ATOM 0 HG22 THR A 61 -12.331 1.983 2.640 1.00 0.30 H new ATOM 0 HG23 THR A 61 -10.596 1.586 2.664 1.00 0.30 H new ATOM 911 N ASP A 62 -13.240 -1.372 -0.466 1.00 0.18 N ATOM 912 CA ASP A 62 -13.432 -2.300 -1.622 1.00 0.19 C ATOM 913 C ASP A 62 -12.947 -1.653 -2.924 1.00 0.22 C ATOM 914 O ASP A 62 -13.150 -0.479 -3.162 1.00 0.34 O ATOM 915 CB ASP A 62 -14.939 -2.553 -1.691 1.00 0.24 C ATOM 916 CG ASP A 62 -15.359 -3.468 -0.541 1.00 0.26 C ATOM 917 OD1 ASP A 62 -14.540 -3.707 0.331 1.00 0.32 O ATOM 918 OD2 ASP A 62 -16.494 -3.917 -0.553 1.00 0.37 O ATOM 0 H ASP A 62 -14.040 -0.779 -0.245 1.00 0.18 H new ATOM 0 HA ASP A 62 -12.864 -3.222 -1.495 1.00 0.19 H new ATOM 0 HB2 ASP A 62 -15.479 -1.608 -1.633 1.00 0.24 H new ATOM 0 HB3 ASP A 62 -15.198 -3.010 -2.646 1.00 0.24 H new ATOM 923 N ASN A 63 -12.318 -2.421 -3.772 1.00 0.19 N ATOM 924 CA ASN A 63 -11.827 -1.871 -5.071 1.00 0.23 C ATOM 925 C ASN A 63 -10.959 -0.631 -4.840 1.00 0.27 C ATOM 926 O ASN A 63 -11.054 0.347 -5.555 1.00 0.35 O ATOM 927 CB ASN A 63 -13.093 -1.506 -5.847 1.00 0.31 C ATOM 928 CG ASN A 63 -14.031 -2.715 -5.883 1.00 0.33 C ATOM 929 OD1 ASN A 63 -13.638 -3.793 -6.279 1.00 0.50 O ATOM 930 ND2 ASN A 63 -15.265 -2.579 -5.479 1.00 0.32 N ATOM 0 H ASN A 63 -12.122 -3.411 -3.621 1.00 0.19 H new ATOM 0 HA ASN A 63 -11.207 -2.587 -5.611 1.00 0.23 H new ATOM 0 HB2 ASN A 63 -13.591 -0.659 -5.375 1.00 0.31 H new ATOM 0 HB3 ASN A 63 -12.836 -1.200 -6.861 1.00 0.31 H new ATOM 0 HD21 ASN A 63 -15.898 -3.378 -5.496 1.00 0.32 H new ATOM 0 HD22 ASN A 63 -15.596 -1.673 -5.146 1.00 0.32 H new ATOM 937 N CYS A 64 -10.106 -0.665 -3.852 1.00 0.24 N ATOM 938 CA CYS A 64 -9.231 0.511 -3.586 1.00 0.29 C ATOM 939 C CYS A 64 -8.443 0.874 -4.849 1.00 0.31 C ATOM 940 O CYS A 64 -8.265 2.032 -5.170 1.00 0.41 O ATOM 941 CB CYS A 64 -8.287 0.050 -2.476 1.00 0.34 C ATOM 942 SG CYS A 64 -7.326 1.459 -1.870 1.00 0.35 S ATOM 0 H CYS A 64 -9.978 -1.455 -3.219 1.00 0.24 H new ATOM 0 HA CYS A 64 -9.796 1.398 -3.299 1.00 0.29 H new ATOM 0 HB2 CYS A 64 -8.858 -0.391 -1.659 1.00 0.34 H new ATOM 0 HB3 CYS A 64 -7.618 -0.724 -2.852 1.00 0.34 H new ATOM 947 N ASN A 65 -7.978 -0.111 -5.569 1.00 0.35 N ATOM 948 CA ASN A 65 -7.205 0.171 -6.815 1.00 0.37 C ATOM 949 C ASN A 65 -8.161 0.379 -7.996 1.00 0.51 C ATOM 950 O ASN A 65 -8.275 -0.456 -8.871 1.00 0.78 O ATOM 951 CB ASN A 65 -6.343 -1.075 -7.032 1.00 0.47 C ATOM 952 CG ASN A 65 -5.311 -0.805 -8.130 1.00 0.76 C ATOM 953 OD1 ASN A 65 -5.665 -0.539 -9.262 1.00 1.12 O ATOM 954 ND2 ASN A 65 -4.039 -0.861 -7.841 1.00 0.76 N ATOM 0 H ASN A 65 -8.100 -1.100 -5.349 1.00 0.35 H new ATOM 0 HA ASN A 65 -6.602 1.076 -6.734 1.00 0.37 H new ATOM 0 HB2 ASN A 65 -5.839 -1.346 -6.104 1.00 0.47 H new ATOM 0 HB3 ASN A 65 -6.972 -1.920 -7.311 1.00 0.47 H new ATOM 0 HD21 ASN A 65 -3.343 -0.682 -8.565 1.00 0.76 H new ATOM 0 HD22 ASN A 65 -3.741 -1.084 -6.891 1.00 0.76 H new ATOM 961 N HIS A 66 -8.842 1.493 -8.031 1.00 0.42 N ATOM 962 CA HIS A 66 -9.775 1.767 -9.142 1.00 0.55 C ATOM 963 C HIS A 66 -10.086 3.264 -9.212 1.00 0.68 C ATOM 964 O HIS A 66 -10.579 3.791 -8.229 1.00 0.68 O ATOM 965 CB HIS A 66 -11.034 0.961 -8.821 1.00 0.52 C ATOM 966 CG HIS A 66 -12.102 1.261 -9.840 1.00 0.73 C ATOM 967 ND1 HIS A 66 -11.820 1.410 -11.189 1.00 0.96 N ATOM 968 CD2 HIS A 66 -13.459 1.435 -9.722 1.00 0.83 C ATOM 969 CE1 HIS A 66 -12.982 1.660 -11.822 1.00 1.14 C ATOM 970 NE2 HIS A 66 -14.012 1.686 -10.974 1.00 1.05 N ATOM 971 OXT HIS A 66 -9.823 3.856 -10.245 1.00 0.88 O ATOM 0 H HIS A 66 -8.785 2.228 -7.326 1.00 0.42 H new ATOM 0 HA HIS A 66 -9.358 1.487 -10.110 1.00 0.55 H new ATOM 0 HB2 HIS A 66 -10.805 -0.105 -8.822 1.00 0.52 H new ATOM 0 HB3 HIS A 66 -11.391 1.209 -7.822 1.00 0.52 H new ATOM 0 HD2 HIS A 66 -14.014 1.385 -8.797 1.00 0.83 H new ATOM 0 HE1 HIS A 66 -13.070 1.820 -12.886 1.00 1.14 H new ATOM 0 HE2 HIS A 66 -14.993 1.854 -11.196 1.00 1.05 H new TER 979 HIS A 66 ATOM 980 N ARG B 1 17.420 4.700 -3.808 1.00 0.26 N ATOM 981 CA ARG B 1 17.833 5.908 -4.579 1.00 0.23 C ATOM 982 C ARG B 1 16.679 6.404 -5.455 1.00 0.25 C ATOM 983 O ARG B 1 16.592 7.571 -5.780 1.00 0.35 O ATOM 984 CB ARG B 1 18.996 5.441 -5.455 1.00 0.22 C ATOM 985 CG ARG B 1 19.284 6.495 -6.525 1.00 0.26 C ATOM 986 CD ARG B 1 19.716 7.798 -5.853 1.00 0.33 C ATOM 987 NE ARG B 1 21.187 7.666 -5.670 1.00 0.45 N ATOM 988 CZ ARG B 1 21.819 8.478 -4.866 1.00 0.62 C ATOM 989 NH1 ARG B 1 21.740 9.768 -5.045 1.00 0.85 N ATOM 990 NH2 ARG B 1 22.530 7.998 -3.882 1.00 0.67 N ATOM 0 H1 ARG B 1 18.103 4.526 -3.043 1.00 0.26 H new ATOM 0 H2 ARG B 1 16.476 4.854 -3.400 1.00 0.26 H new ATOM 0 H3 ARG B 1 17.393 3.876 -4.442 1.00 0.26 H new ATOM 0 HA ARG B 1 18.114 6.733 -3.924 1.00 0.23 H new ATOM 0 HB2 ARG B 1 19.883 5.277 -4.843 1.00 0.22 H new ATOM 0 HB3 ARG B 1 18.752 4.488 -5.924 1.00 0.22 H new ATOM 0 HG2 ARG B 1 20.067 6.143 -7.196 1.00 0.26 H new ATOM 0 HG3 ARG B 1 18.395 6.664 -7.133 1.00 0.26 H new ATOM 0 HD2 ARG B 1 19.471 8.661 -6.471 1.00 0.33 H new ATOM 0 HD3 ARG B 1 19.210 7.936 -4.898 1.00 0.33 H new ATOM 0 HE ARG B 1 21.701 6.942 -6.172 1.00 0.45 H new ATOM 0 HH11 ARG B 1 21.184 10.143 -5.814 1.00 0.85 H new ATOM 0 HH12 ARG B 1 22.234 10.401 -4.416 1.00 0.85 H new ATOM 0 HH21 ARG B 1 22.591 6.990 -3.742 1.00 0.67 H new ATOM 0 HH22 ARG B 1 23.024 8.631 -3.253 1.00 0.67 H new ATOM 1006 N THR B 2 15.800 5.525 -5.854 1.00 0.23 N ATOM 1007 CA THR B 2 14.665 5.945 -6.726 1.00 0.26 C ATOM 1008 C THR B 2 13.470 5.011 -6.547 1.00 0.25 C ATOM 1009 O THR B 2 13.591 3.911 -6.047 1.00 0.25 O ATOM 1010 CB THR B 2 15.227 5.861 -8.135 1.00 0.30 C ATOM 1011 OG1 THR B 2 16.171 4.799 -8.206 1.00 0.36 O ATOM 1012 CG2 THR B 2 15.913 7.186 -8.447 1.00 0.37 C ATOM 0 H THR B 2 15.819 4.534 -5.614 1.00 0.23 H new ATOM 0 HA THR B 2 14.298 6.944 -6.488 1.00 0.26 H new ATOM 0 HB THR B 2 14.431 5.670 -8.855 1.00 0.30 H new ATOM 0 HG1 THR B 2 16.533 4.743 -9.115 1.00 0.36 H new ATOM 0 HG21 THR B 2 16.326 7.153 -9.455 1.00 0.37 H new ATOM 0 HG22 THR B 2 15.187 7.996 -8.379 1.00 0.37 H new ATOM 0 HG23 THR B 2 16.717 7.357 -7.731 1.00 0.37 H new ATOM 1020 N CYS B 3 12.311 5.454 -6.943 1.00 0.28 N ATOM 1021 CA CYS B 3 11.093 4.609 -6.792 1.00 0.30 C ATOM 1022 C CYS B 3 10.212 4.714 -8.043 1.00 0.29 C ATOM 1023 O CYS B 3 10.659 5.121 -9.094 1.00 0.35 O ATOM 1024 CB CYS B 3 10.372 5.183 -5.572 1.00 0.36 C ATOM 1025 SG CYS B 3 9.486 3.857 -4.710 1.00 0.50 S ATOM 0 H CYS B 3 12.153 6.368 -7.367 1.00 0.28 H new ATOM 0 HA CYS B 3 11.332 3.553 -6.668 1.00 0.30 H new ATOM 0 HB2 CYS B 3 11.091 5.651 -4.899 1.00 0.36 H new ATOM 0 HB3 CYS B 3 9.673 5.960 -5.882 1.00 0.36 H new ATOM 1030 N LEU B 4 8.964 4.341 -7.940 1.00 0.29 N ATOM 1031 CA LEU B 4 8.068 4.406 -9.131 1.00 0.26 C ATOM 1032 C LEU B 4 6.895 5.351 -8.886 1.00 0.35 C ATOM 1033 O LEU B 4 6.338 5.409 -7.808 1.00 0.41 O ATOM 1034 CB LEU B 4 7.560 2.977 -9.312 1.00 0.23 C ATOM 1035 CG LEU B 4 8.712 2.089 -9.778 1.00 0.24 C ATOM 1036 CD1 LEU B 4 8.191 0.674 -10.039 1.00 0.40 C ATOM 1037 CD2 LEU B 4 9.301 2.667 -11.065 1.00 0.24 C ATOM 0 H LEU B 4 8.527 3.995 -7.085 1.00 0.29 H new ATOM 0 HA LEU B 4 8.592 4.782 -10.010 1.00 0.26 H new ATOM 0 HB2 LEU B 4 7.153 2.602 -8.373 1.00 0.23 H new ATOM 0 HB3 LEU B 4 6.751 2.956 -10.042 1.00 0.23 H new ATOM 0 HG LEU B 4 9.483 2.051 -9.009 1.00 0.24 H new ATOM 0 HD11 LEU B 4 9.012 0.039 -10.372 1.00 0.40 H new ATOM 0 HD12 LEU B 4 7.767 0.267 -9.121 1.00 0.40 H new ATOM 0 HD13 LEU B 4 7.422 0.706 -10.811 1.00 0.40 H new ATOM 0 HD21 LEU B 4 10.124 2.038 -11.403 1.00 0.24 H new ATOM 0 HD22 LEU B 4 8.530 2.701 -11.835 1.00 0.24 H new ATOM 0 HD23 LEU B 4 9.669 3.675 -10.876 1.00 0.24 H new ATOM 1049 N ILE B 5 6.512 6.089 -9.889 1.00 0.37 N ATOM 1050 CA ILE B 5 5.371 7.029 -9.732 1.00 0.45 C ATOM 1051 C ILE B 5 4.274 6.693 -10.743 1.00 0.34 C ATOM 1052 O ILE B 5 4.522 6.580 -11.927 1.00 0.58 O ATOM 1053 CB ILE B 5 5.959 8.410 -10.010 1.00 0.58 C ATOM 1054 CG1 ILE B 5 7.145 8.649 -9.073 1.00 0.78 C ATOM 1055 CG2 ILE B 5 4.892 9.480 -9.772 1.00 0.75 C ATOM 1056 CD1 ILE B 5 8.189 9.517 -9.777 1.00 0.68 C ATOM 0 H ILE B 5 6.942 6.081 -10.814 1.00 0.37 H new ATOM 0 HA ILE B 5 4.917 6.974 -8.743 1.00 0.45 H new ATOM 0 HB ILE B 5 6.294 8.463 -11.046 1.00 0.58 H new ATOM 0 HG12 ILE B 5 6.807 9.138 -8.160 1.00 0.78 H new ATOM 0 HG13 ILE B 5 7.587 7.697 -8.780 1.00 0.78 H new ATOM 0 HG21 ILE B 5 5.314 10.465 -9.971 1.00 0.75 H new ATOM 0 HG22 ILE B 5 4.047 9.306 -10.438 1.00 0.75 H new ATOM 0 HG23 ILE B 5 4.554 9.433 -8.737 1.00 0.75 H new ATOM 0 HD11 ILE B 5 9.033 9.686 -9.108 1.00 0.68 H new ATOM 0 HD12 ILE B 5 8.536 9.010 -10.678 1.00 0.68 H new ATOM 0 HD13 ILE B 5 7.743 10.474 -10.048 1.00 0.68 H new ATOM 1068 N SER B 6 3.066 6.531 -10.283 1.00 0.26 N ATOM 1069 CA SER B 6 1.951 6.201 -11.216 1.00 0.44 C ATOM 1070 C SER B 6 2.250 4.891 -11.952 1.00 0.46 C ATOM 1071 O SER B 6 3.274 4.275 -11.729 1.00 0.69 O ATOM 1072 CB SER B 6 1.904 7.375 -12.194 1.00 0.75 C ATOM 1073 OG SER B 6 0.628 7.997 -12.113 1.00 0.77 O ATOM 0 H SER B 6 2.801 6.613 -9.301 1.00 0.26 H new ATOM 0 HA SER B 6 1.001 6.061 -10.701 1.00 0.44 H new ATOM 0 HB2 SER B 6 2.688 8.094 -11.957 1.00 0.75 H new ATOM 0 HB3 SER B 6 2.088 7.026 -13.210 1.00 0.75 H new ATOM 0 HG SER B 6 0.592 8.752 -12.737 1.00 0.77 H new ATOM 1079 N PRO B 7 1.342 4.511 -12.812 1.00 0.65 N ATOM 1080 CA PRO B 7 1.505 3.260 -13.597 1.00 0.78 C ATOM 1081 C PRO B 7 2.635 3.403 -14.626 1.00 0.46 C ATOM 1082 O PRO B 7 2.944 2.479 -15.352 1.00 0.51 O ATOM 1083 CB PRO B 7 0.150 3.091 -14.285 1.00 1.19 C ATOM 1084 CG PRO B 7 -0.425 4.469 -14.345 1.00 1.22 C ATOM 1085 CD PRO B 7 0.086 5.202 -13.132 1.00 1.03 C ATOM 0 HA PRO B 7 1.775 2.402 -12.981 1.00 0.78 H new ATOM 0 HB2 PRO B 7 0.264 2.666 -15.282 1.00 1.19 H new ATOM 0 HB3 PRO B 7 -0.497 2.417 -13.723 1.00 1.19 H new ATOM 0 HG2 PRO B 7 -0.121 4.976 -15.261 1.00 1.22 H new ATOM 0 HG3 PRO B 7 -1.514 4.434 -14.346 1.00 1.22 H new ATOM 0 HD2 PRO B 7 0.253 6.258 -13.343 1.00 1.03 H new ATOM 0 HD3 PRO B 7 -0.622 5.150 -12.305 1.00 1.03 H new ATOM 1093 N SER B 8 3.260 4.549 -14.691 1.00 0.28 N ATOM 1094 CA SER B 8 4.370 4.740 -15.669 1.00 0.37 C ATOM 1095 C SER B 8 5.482 3.724 -15.403 1.00 0.56 C ATOM 1096 O SER B 8 6.133 3.248 -16.311 1.00 0.83 O ATOM 1097 CB SER B 8 4.878 6.158 -15.413 1.00 0.58 C ATOM 1098 OG SER B 8 3.830 7.085 -15.665 1.00 0.85 O ATOM 0 H SER B 8 3.050 5.360 -14.109 1.00 0.28 H new ATOM 0 HA SER B 8 4.044 4.600 -16.700 1.00 0.37 H new ATOM 0 HB2 SER B 8 5.223 6.253 -14.383 1.00 0.58 H new ATOM 0 HB3 SER B 8 5.731 6.373 -16.056 1.00 0.58 H new ATOM 0 HG SER B 8 4.152 7.996 -15.500 1.00 0.85 H new ATOM 1104 N SER B 9 5.704 3.395 -14.163 1.00 0.51 N ATOM 1105 CA SER B 9 6.774 2.411 -13.834 1.00 0.74 C ATOM 1106 C SER B 9 8.147 2.993 -14.172 1.00 0.76 C ATOM 1107 O SER B 9 8.891 2.448 -14.963 1.00 1.22 O ATOM 1108 CB SER B 9 6.472 1.186 -14.695 1.00 1.22 C ATOM 1109 OG SER B 9 6.862 0.009 -13.996 1.00 1.31 O ATOM 0 H SER B 9 5.192 3.764 -13.362 1.00 0.51 H new ATOM 0 HA SER B 9 6.793 2.159 -12.774 1.00 0.74 H new ATOM 0 HB2 SER B 9 5.409 1.147 -14.931 1.00 1.22 H new ATOM 0 HB3 SER B 9 7.006 1.253 -15.643 1.00 1.22 H new ATOM 0 HG SER B 9 6.667 -0.778 -14.547 1.00 1.31 H new ATOM 1115 N THR B 10 8.483 4.097 -13.569 1.00 0.39 N ATOM 1116 CA THR B 10 9.807 4.731 -13.837 1.00 0.60 C ATOM 1117 C THR B 10 10.618 4.817 -12.540 1.00 0.34 C ATOM 1118 O THR B 10 10.363 5.657 -11.701 1.00 0.46 O ATOM 1119 CB THR B 10 9.478 6.129 -14.362 1.00 0.93 C ATOM 1120 OG1 THR B 10 8.627 6.795 -13.438 1.00 0.87 O ATOM 1121 CG2 THR B 10 8.775 6.012 -15.715 1.00 1.14 C ATOM 0 H THR B 10 7.896 4.592 -12.898 1.00 0.39 H new ATOM 0 HA THR B 10 10.405 4.162 -14.549 1.00 0.60 H new ATOM 0 HB THR B 10 10.399 6.700 -14.480 1.00 0.93 H new ATOM 0 HG1 THR B 10 8.930 6.612 -12.524 1.00 0.87 H new ATOM 0 HG21 THR B 10 8.540 7.008 -16.090 1.00 1.14 H new ATOM 0 HG22 THR B 10 9.430 5.503 -16.422 1.00 1.14 H new ATOM 0 HG23 THR B 10 7.854 5.442 -15.598 1.00 1.14 H new ATOM 1129 N PRO B 11 11.570 3.930 -12.418 1.00 0.23 N ATOM 1130 CA PRO B 11 12.426 3.888 -11.210 1.00 0.30 C ATOM 1131 C PRO B 11 13.491 4.992 -11.246 1.00 0.58 C ATOM 1132 O PRO B 11 14.653 4.737 -11.490 1.00 0.90 O ATOM 1133 CB PRO B 11 13.072 2.508 -11.281 1.00 0.60 C ATOM 1134 CG PRO B 11 13.061 2.139 -12.732 1.00 0.65 C ATOM 1135 CD PRO B 11 11.930 2.894 -13.389 1.00 0.51 C ATOM 0 HA PRO B 11 11.865 4.051 -10.290 1.00 0.30 H new ATOM 0 HB2 PRO B 11 14.089 2.529 -10.889 1.00 0.60 H new ATOM 0 HB3 PRO B 11 12.516 1.783 -10.687 1.00 0.60 H new ATOM 0 HG2 PRO B 11 14.013 2.393 -13.199 1.00 0.65 H new ATOM 0 HG3 PRO B 11 12.924 1.064 -12.852 1.00 0.65 H new ATOM 0 HD2 PRO B 11 12.242 3.330 -14.338 1.00 0.51 H new ATOM 0 HD3 PRO B 11 11.086 2.238 -13.602 1.00 0.51 H new ATOM 1143 N GLN B 12 13.105 6.216 -10.997 1.00 0.68 N ATOM 1144 CA GLN B 12 14.097 7.331 -11.009 1.00 1.02 C ATOM 1145 C GLN B 12 13.711 8.407 -9.978 1.00 0.88 C ATOM 1146 O GLN B 12 13.760 9.586 -10.264 1.00 1.15 O ATOM 1147 CB GLN B 12 14.028 7.907 -12.424 1.00 1.53 C ATOM 1148 CG GLN B 12 15.175 7.343 -13.268 1.00 1.70 C ATOM 1149 CD GLN B 12 16.436 8.181 -13.044 1.00 2.22 C ATOM 1150 OE1 GLN B 12 16.370 9.393 -12.979 1.00 2.44 O ATOM 1151 NE2 GLN B 12 17.591 7.583 -12.924 1.00 2.52 N ATOM 0 H GLN B 12 12.146 6.491 -10.786 1.00 0.68 H new ATOM 0 HA GLN B 12 15.099 6.988 -10.751 1.00 1.02 H new ATOM 0 HB2 GLN B 12 13.071 7.658 -12.882 1.00 1.53 H new ATOM 0 HB3 GLN B 12 14.091 8.995 -12.388 1.00 1.53 H new ATOM 0 HG2 GLN B 12 15.363 6.304 -12.997 1.00 1.70 H new ATOM 0 HG3 GLN B 12 14.902 7.352 -14.323 1.00 1.70 H new ATOM 0 HE21 GLN B 12 17.647 6.566 -12.978 1.00 2.52 H new ATOM 0 HE22 GLN B 12 18.437 8.133 -12.776 1.00 2.52 H new ATOM 1160 N THR B 13 13.298 8.018 -8.796 1.00 0.54 N ATOM 1161 CA THR B 13 12.881 9.033 -7.788 1.00 0.50 C ATOM 1162 C THR B 13 13.806 9.104 -6.558 1.00 0.49 C ATOM 1163 O THR B 13 15.012 9.202 -6.657 1.00 0.58 O ATOM 1164 CB THR B 13 11.499 8.555 -7.367 1.00 0.42 C ATOM 1165 OG1 THR B 13 10.888 7.855 -8.443 1.00 0.45 O ATOM 1166 CG2 THR B 13 10.633 9.749 -6.966 1.00 0.58 C ATOM 0 H THR B 13 13.233 7.047 -8.490 1.00 0.54 H new ATOM 0 HA THR B 13 12.911 10.038 -8.210 1.00 0.50 H new ATOM 0 HB THR B 13 11.597 7.886 -6.512 1.00 0.42 H new ATOM 0 HG1 THR B 13 9.999 7.546 -8.170 1.00 0.45 H new ATOM 0 HG21 THR B 13 9.646 9.398 -6.666 1.00 0.58 H new ATOM 0 HG22 THR B 13 11.100 10.274 -6.133 1.00 0.58 H new ATOM 0 HG23 THR B 13 10.535 10.428 -7.813 1.00 0.58 H new ATOM 1174 N CYS B 14 13.215 9.085 -5.393 1.00 0.45 N ATOM 1175 CA CYS B 14 13.971 9.170 -4.122 1.00 0.46 C ATOM 1176 C CYS B 14 15.002 10.306 -4.176 1.00 0.52 C ATOM 1177 O CYS B 14 16.167 10.078 -4.430 1.00 0.67 O ATOM 1178 CB CYS B 14 14.655 7.813 -3.939 1.00 0.44 C ATOM 1179 SG CYS B 14 14.152 7.069 -2.361 1.00 0.44 S ATOM 0 H CYS B 14 12.205 9.011 -5.273 1.00 0.45 H new ATOM 0 HA CYS B 14 13.311 9.391 -3.283 1.00 0.46 H new ATOM 0 HB2 CYS B 14 14.391 7.150 -4.763 1.00 0.44 H new ATOM 0 HB3 CYS B 14 15.738 7.936 -3.963 1.00 0.44 H new ATOM 1184 N PRO B 15 14.529 11.502 -3.938 1.00 0.52 N ATOM 1185 CA PRO B 15 15.412 12.697 -3.962 1.00 0.60 C ATOM 1186 C PRO B 15 16.357 12.715 -2.751 1.00 0.49 C ATOM 1187 O PRO B 15 17.343 13.426 -2.736 1.00 0.52 O ATOM 1188 CB PRO B 15 14.434 13.866 -3.902 1.00 0.78 C ATOM 1189 CG PRO B 15 13.206 13.309 -3.255 1.00 0.78 C ATOM 1190 CD PRO B 15 13.138 11.850 -3.624 1.00 0.66 C ATOM 0 HA PRO B 15 16.057 12.724 -4.840 1.00 0.60 H new ATOM 0 HB2 PRO B 15 14.844 14.694 -3.324 1.00 0.78 H new ATOM 0 HB3 PRO B 15 14.216 14.250 -4.899 1.00 0.78 H new ATOM 0 HG2 PRO B 15 13.251 13.432 -2.173 1.00 0.78 H new ATOM 0 HG3 PRO B 15 12.316 13.836 -3.599 1.00 0.78 H new ATOM 0 HD2 PRO B 15 12.751 11.247 -2.802 1.00 0.66 H new ATOM 0 HD3 PRO B 15 12.482 11.684 -4.478 1.00 0.66 H new ATOM 1198 N ASN B 16 16.065 11.951 -1.734 1.00 0.43 N ATOM 1199 CA ASN B 16 16.952 11.944 -0.531 1.00 0.37 C ATOM 1200 C ASN B 16 18.058 10.896 -0.681 1.00 0.36 C ATOM 1201 O ASN B 16 18.154 10.219 -1.685 1.00 0.44 O ATOM 1202 CB ASN B 16 16.037 11.596 0.643 1.00 0.45 C ATOM 1203 CG ASN B 16 15.463 10.192 0.449 1.00 0.47 C ATOM 1204 OD1 ASN B 16 15.307 9.738 -0.667 1.00 0.60 O ATOM 1205 ND2 ASN B 16 15.142 9.481 1.496 1.00 0.51 N ATOM 0 H ASN B 16 15.255 11.333 -1.682 1.00 0.43 H new ATOM 0 HA ASN B 16 17.449 12.904 -0.388 1.00 0.37 H new ATOM 0 HB2 ASN B 16 16.594 11.646 1.578 1.00 0.45 H new ATOM 0 HB3 ASN B 16 15.228 12.323 0.715 1.00 0.45 H new ATOM 0 HD21 ASN B 16 14.760 8.543 1.378 1.00 0.51 H new ATOM 0 HD22 ASN B 16 15.274 9.864 2.432 1.00 0.51 H new ATOM 1212 N GLY B 17 18.895 10.760 0.310 1.00 0.36 N ATOM 1213 CA GLY B 17 19.994 9.759 0.225 1.00 0.40 C ATOM 1214 C GLY B 17 19.558 8.462 0.909 1.00 0.38 C ATOM 1215 O GLY B 17 20.372 7.663 1.324 1.00 0.48 O ATOM 0 H GLY B 17 18.865 11.299 1.175 1.00 0.36 H new ATOM 0 HA2 GLY B 17 20.244 9.566 -0.818 1.00 0.40 H new ATOM 0 HA3 GLY B 17 20.893 10.149 0.702 1.00 0.40 H new ATOM 1219 N GLN B 18 18.274 8.247 1.030 1.00 0.33 N ATOM 1220 CA GLN B 18 17.784 7.002 1.690 1.00 0.36 C ATOM 1221 C GLN B 18 16.713 6.326 0.830 1.00 0.29 C ATOM 1222 O GLN B 18 16.068 6.954 0.013 1.00 0.33 O ATOM 1223 CB GLN B 18 17.181 7.469 3.016 1.00 0.45 C ATOM 1224 CG GLN B 18 18.278 8.072 3.896 1.00 0.79 C ATOM 1225 CD GLN B 18 18.705 7.052 4.954 1.00 1.05 C ATOM 1226 OE1 GLN B 18 18.050 6.046 5.144 1.00 1.39 O ATOM 1227 NE2 GLN B 18 19.783 7.273 5.656 1.00 1.27 N ATOM 0 H GLN B 18 17.545 8.879 0.701 1.00 0.33 H new ATOM 0 HA GLN B 18 18.582 6.274 1.833 1.00 0.36 H new ATOM 0 HB2 GLN B 18 16.401 8.208 2.832 1.00 0.45 H new ATOM 0 HB3 GLN B 18 16.710 6.630 3.528 1.00 0.45 H new ATOM 0 HG2 GLN B 18 19.134 8.356 3.284 1.00 0.79 H new ATOM 0 HG3 GLN B 18 17.914 8.980 4.377 1.00 0.79 H new ATOM 0 HE21 GLN B 18 20.332 8.118 5.496 1.00 1.27 H new ATOM 0 HE22 GLN B 18 20.077 6.601 6.365 1.00 1.27 H new ATOM 1236 N ASP B 19 16.513 5.050 1.014 1.00 0.32 N ATOM 1237 CA ASP B 19 15.476 4.331 0.220 1.00 0.31 C ATOM 1238 C ASP B 19 14.113 4.466 0.915 1.00 0.27 C ATOM 1239 O ASP B 19 13.656 5.561 1.172 1.00 0.34 O ATOM 1240 CB ASP B 19 15.948 2.878 0.193 1.00 0.42 C ATOM 1241 CG ASP B 19 17.330 2.807 -0.456 1.00 0.54 C ATOM 1242 OD1 ASP B 19 18.177 3.605 -0.087 1.00 0.70 O ATOM 1243 OD2 ASP B 19 17.519 1.958 -1.312 1.00 0.53 O ATOM 0 H ASP B 19 17.024 4.473 1.682 1.00 0.32 H new ATOM 0 HA ASP B 19 15.354 4.728 -0.788 1.00 0.31 H new ATOM 0 HB2 ASP B 19 15.989 2.478 1.206 1.00 0.42 H new ATOM 0 HB3 ASP B 19 15.240 2.264 -0.364 1.00 0.42 H new ATOM 1248 N ILE B 20 13.464 3.371 1.229 1.00 0.27 N ATOM 1249 CA ILE B 20 12.140 3.449 1.922 1.00 0.25 C ATOM 1250 C ILE B 20 11.090 4.131 1.034 1.00 0.30 C ATOM 1251 O ILE B 20 11.146 5.322 0.796 1.00 0.39 O ATOM 1252 CB ILE B 20 12.399 4.285 3.180 1.00 0.25 C ATOM 1253 CG1 ILE B 20 13.582 3.696 3.953 1.00 0.34 C ATOM 1254 CG2 ILE B 20 11.158 4.269 4.071 1.00 0.31 C ATOM 1255 CD1 ILE B 20 13.297 2.232 4.292 1.00 0.52 C ATOM 0 H ILE B 20 13.794 2.426 1.035 1.00 0.27 H new ATOM 0 HA ILE B 20 11.749 2.458 2.155 1.00 0.25 H new ATOM 0 HB ILE B 20 12.626 5.310 2.889 1.00 0.25 H new ATOM 0 HG12 ILE B 20 14.492 3.771 3.358 1.00 0.34 H new ATOM 0 HG13 ILE B 20 13.751 4.265 4.867 1.00 0.34 H new ATOM 0 HG21 ILE B 20 11.344 4.864 4.965 1.00 0.31 H new ATOM 0 HG22 ILE B 20 10.313 4.689 3.525 1.00 0.31 H new ATOM 0 HG23 ILE B 20 10.930 3.243 4.359 1.00 0.31 H new ATOM 0 HD11 ILE B 20 14.141 1.815 4.842 1.00 0.52 H new ATOM 0 HD12 ILE B 20 12.397 2.169 4.904 1.00 0.52 H new ATOM 0 HD13 ILE B 20 13.150 1.667 3.371 1.00 0.52 H new ATOM 1267 N CYS B 21 10.126 3.388 0.548 1.00 0.31 N ATOM 1268 CA CYS B 21 9.074 4.009 -0.314 1.00 0.37 C ATOM 1269 C CYS B 21 7.672 3.649 0.203 1.00 0.39 C ATOM 1270 O CYS B 21 7.401 2.516 0.547 1.00 0.39 O ATOM 1271 CB CYS B 21 9.300 3.424 -1.711 1.00 0.36 C ATOM 1272 SG CYS B 21 8.924 4.687 -2.955 1.00 0.49 S ATOM 0 H CYS B 21 10.023 2.386 0.709 1.00 0.31 H new ATOM 0 HA CYS B 21 9.138 5.097 -0.315 1.00 0.37 H new ATOM 0 HB2 CYS B 21 10.332 3.090 -1.816 1.00 0.36 H new ATOM 0 HB3 CYS B 21 8.665 2.550 -1.859 1.00 0.36 H new ATOM 1277 N PHE B 22 6.777 4.604 0.245 1.00 0.43 N ATOM 1278 CA PHE B 22 5.404 4.321 0.721 1.00 0.45 C ATOM 1279 C PHE B 22 4.400 5.264 0.046 1.00 0.47 C ATOM 1280 O PHE B 22 4.761 6.111 -0.748 1.00 0.50 O ATOM 1281 CB PHE B 22 5.433 4.542 2.242 1.00 0.49 C ATOM 1282 CG PHE B 22 5.215 6.003 2.570 1.00 0.50 C ATOM 1283 CD1 PHE B 22 6.191 6.952 2.253 1.00 0.47 C ATOM 1284 CD2 PHE B 22 4.025 6.406 3.193 1.00 0.66 C ATOM 1285 CE1 PHE B 22 5.979 8.303 2.558 1.00 0.50 C ATOM 1286 CE2 PHE B 22 3.814 7.756 3.498 1.00 0.72 C ATOM 1287 CZ PHE B 22 4.792 8.705 3.181 1.00 0.60 C ATOM 0 H PHE B 22 6.947 5.570 -0.033 1.00 0.43 H new ATOM 0 HA PHE B 22 5.092 3.305 0.477 1.00 0.45 H new ATOM 0 HB2 PHE B 22 4.661 3.937 2.718 1.00 0.49 H new ATOM 0 HB3 PHE B 22 6.390 4.212 2.645 1.00 0.49 H new ATOM 0 HD1 PHE B 22 7.108 6.644 1.773 1.00 0.47 H new ATOM 0 HD2 PHE B 22 3.270 5.674 3.438 1.00 0.66 H new ATOM 0 HE1 PHE B 22 6.733 9.036 2.312 1.00 0.50 H new ATOM 0 HE2 PHE B 22 2.897 8.065 3.978 1.00 0.72 H new ATOM 0 HZ PHE B 22 4.631 9.747 3.417 1.00 0.60 H new ATOM 1297 N LEU B 23 3.145 5.122 0.367 1.00 0.46 N ATOM 1298 CA LEU B 23 2.105 6.009 -0.239 1.00 0.45 C ATOM 1299 C LEU B 23 1.242 6.636 0.859 1.00 0.40 C ATOM 1300 O LEU B 23 0.978 6.026 1.874 1.00 0.46 O ATOM 1301 CB LEU B 23 1.252 5.087 -1.113 1.00 0.47 C ATOM 1302 CG LEU B 23 0.262 5.925 -1.925 1.00 0.55 C ATOM 1303 CD1 LEU B 23 0.275 5.467 -3.386 1.00 0.65 C ATOM 1304 CD2 LEU B 23 -1.145 5.746 -1.349 1.00 0.59 C ATOM 0 H LEU B 23 2.790 4.428 1.025 1.00 0.46 H new ATOM 0 HA LEU B 23 2.547 6.825 -0.811 1.00 0.45 H new ATOM 0 HB2 LEU B 23 1.890 4.510 -1.782 1.00 0.47 H new ATOM 0 HB3 LEU B 23 0.714 4.372 -0.490 1.00 0.47 H new ATOM 0 HG LEU B 23 0.549 6.975 -1.873 1.00 0.55 H new ATOM 0 HD11 LEU B 23 -0.431 6.066 -3.961 1.00 0.65 H new ATOM 0 HD12 LEU B 23 1.277 5.592 -3.798 1.00 0.65 H new ATOM 0 HD13 LEU B 23 -0.011 4.417 -3.441 1.00 0.65 H new ATOM 0 HD21 LEU B 23 -1.853 6.342 -1.925 1.00 0.59 H new ATOM 0 HD22 LEU B 23 -1.429 4.695 -1.401 1.00 0.59 H new ATOM 0 HD23 LEU B 23 -1.157 6.074 -0.309 1.00 0.59 H new ATOM 1316 N LYS B 24 0.794 7.847 0.660 1.00 0.36 N ATOM 1317 CA LYS B 24 -0.060 8.505 1.691 1.00 0.34 C ATOM 1318 C LYS B 24 -1.350 9.014 1.043 1.00 0.30 C ATOM 1319 O LYS B 24 -1.324 9.857 0.169 1.00 0.33 O ATOM 1320 CB LYS B 24 0.778 9.673 2.217 1.00 0.35 C ATOM 1321 CG LYS B 24 0.047 10.355 3.377 1.00 0.32 C ATOM 1322 CD LYS B 24 1.008 11.303 4.101 1.00 0.36 C ATOM 1323 CE LYS B 24 1.274 10.783 5.516 1.00 0.41 C ATOM 1324 NZ LYS B 24 1.290 11.997 6.380 1.00 0.47 N ATOM 0 H LYS B 24 0.982 8.408 -0.171 1.00 0.36 H new ATOM 0 HA LYS B 24 -0.348 7.825 2.492 1.00 0.34 H new ATOM 0 HB2 LYS B 24 1.752 9.313 2.550 1.00 0.35 H new ATOM 0 HB3 LYS B 24 0.960 10.391 1.417 1.00 0.35 H new ATOM 0 HG2 LYS B 24 -0.814 10.909 3.003 1.00 0.32 H new ATOM 0 HG3 LYS B 24 -0.334 9.606 4.071 1.00 0.32 H new ATOM 0 HD2 LYS B 24 1.945 11.379 3.549 1.00 0.36 H new ATOM 0 HD3 LYS B 24 0.582 12.305 4.145 1.00 0.36 H new ATOM 0 HE2 LYS B 24 0.499 10.085 5.832 1.00 0.41 H new ATOM 0 HE3 LYS B 24 2.223 10.250 5.568 1.00 0.41 H new ATOM 0 HZ1 LYS B 24 1.467 11.719 7.366 1.00 0.47 H new ATOM 0 HZ2 LYS B 24 2.042 12.640 6.061 1.00 0.47 H new ATOM 0 HZ3 LYS B 24 0.371 12.480 6.317 1.00 0.47 H new ATOM 1338 N ALA B 25 -2.477 8.505 1.458 1.00 0.29 N ATOM 1339 CA ALA B 25 -3.765 8.959 0.856 1.00 0.31 C ATOM 1340 C ALA B 25 -4.726 9.445 1.945 1.00 0.34 C ATOM 1341 O ALA B 25 -4.958 8.768 2.927 1.00 0.41 O ATOM 1342 CB ALA B 25 -4.333 7.720 0.166 1.00 0.42 C ATOM 0 H ALA B 25 -2.563 7.796 2.186 1.00 0.29 H new ATOM 0 HA ALA B 25 -3.623 9.790 0.165 1.00 0.31 H new ATOM 0 HB1 ALA B 25 -5.284 7.969 -0.304 1.00 0.42 H new ATOM 0 HB2 ALA B 25 -3.633 7.373 -0.594 1.00 0.42 H new ATOM 0 HB3 ALA B 25 -4.488 6.932 0.903 1.00 0.42 H new ATOM 1348 N GLN B 26 -5.296 10.607 1.774 1.00 0.35 N ATOM 1349 CA GLN B 26 -6.250 11.125 2.796 1.00 0.42 C ATOM 1350 C GLN B 26 -7.194 12.149 2.161 1.00 0.41 C ATOM 1351 O GLN B 26 -6.783 12.983 1.379 1.00 0.44 O ATOM 1352 CB GLN B 26 -5.379 11.789 3.861 1.00 0.45 C ATOM 1353 CG GLN B 26 -6.240 12.135 5.077 1.00 0.53 C ATOM 1354 CD GLN B 26 -5.811 13.491 5.645 1.00 0.53 C ATOM 1355 OE1 GLN B 26 -4.870 13.573 6.407 1.00 0.67 O ATOM 1356 NE2 GLN B 26 -6.469 14.567 5.303 1.00 0.54 N ATOM 0 H GLN B 26 -5.143 11.219 0.972 1.00 0.35 H new ATOM 0 HA GLN B 26 -6.870 10.334 3.218 1.00 0.42 H new ATOM 0 HB2 GLN B 26 -4.569 11.120 4.153 1.00 0.45 H new ATOM 0 HB3 GLN B 26 -4.918 12.691 3.459 1.00 0.45 H new ATOM 0 HG2 GLN B 26 -7.292 12.165 4.793 1.00 0.53 H new ATOM 0 HG3 GLN B 26 -6.138 11.362 5.839 1.00 0.53 H new ATOM 0 HE21 GLN B 26 -7.260 14.499 4.663 1.00 0.54 H new ATOM 0 HE22 GLN B 26 -6.192 15.475 5.676 1.00 0.54 H new ATOM 1365 N CYS B 27 -8.455 12.099 2.491 1.00 0.46 N ATOM 1366 CA CYS B 27 -9.411 13.077 1.900 1.00 0.50 C ATOM 1367 C CYS B 27 -8.885 14.500 2.097 1.00 0.51 C ATOM 1368 O CYS B 27 -8.399 14.854 3.153 1.00 0.60 O ATOM 1369 CB CYS B 27 -10.724 12.875 2.656 1.00 0.57 C ATOM 1370 SG CYS B 27 -11.988 13.983 1.975 1.00 0.64 S ATOM 0 H CYS B 27 -8.863 11.427 3.141 1.00 0.46 H new ATOM 0 HA CYS B 27 -9.544 12.928 0.828 1.00 0.50 H new ATOM 0 HB2 CYS B 27 -11.050 11.838 2.571 1.00 0.57 H new ATOM 0 HB3 CYS B 27 -10.580 13.078 3.717 1.00 0.57 H new ATOM 1375 N ASP B 28 -8.973 15.314 1.086 1.00 0.45 N ATOM 1376 CA ASP B 28 -8.475 16.711 1.204 1.00 0.46 C ATOM 1377 C ASP B 28 -9.627 17.693 0.980 1.00 0.52 C ATOM 1378 O ASP B 28 -9.511 18.633 0.218 1.00 0.62 O ATOM 1379 CB ASP B 28 -7.433 16.844 0.096 1.00 0.40 C ATOM 1380 CG ASP B 28 -8.129 16.771 -1.264 1.00 0.51 C ATOM 1381 OD1 ASP B 28 -8.901 15.847 -1.464 1.00 0.60 O ATOM 1382 OD2 ASP B 28 -7.882 17.643 -2.082 1.00 0.57 O ATOM 0 H ASP B 28 -9.370 15.072 0.178 1.00 0.45 H new ATOM 0 HA ASP B 28 -8.057 16.928 2.187 1.00 0.46 H new ATOM 0 HB2 ASP B 28 -6.900 17.790 0.194 1.00 0.40 H new ATOM 0 HB3 ASP B 28 -6.692 16.050 0.181 1.00 0.40 H new ATOM 1387 N LYS B 29 -10.736 17.475 1.637 1.00 0.50 N ATOM 1388 CA LYS B 29 -11.913 18.384 1.472 1.00 0.57 C ATOM 1389 C LYS B 29 -12.595 18.140 0.120 1.00 0.54 C ATOM 1390 O LYS B 29 -11.978 18.222 -0.922 1.00 0.55 O ATOM 1391 CB LYS B 29 -11.345 19.805 1.545 1.00 0.61 C ATOM 1392 CG LYS B 29 -12.246 20.679 2.420 1.00 0.70 C ATOM 1393 CD LYS B 29 -11.382 21.659 3.217 1.00 0.83 C ATOM 1394 CE LYS B 29 -12.265 22.467 4.170 1.00 0.86 C ATOM 1395 NZ LYS B 29 -11.388 22.772 5.333 1.00 1.06 N ATOM 0 H LYS B 29 -10.879 16.701 2.286 1.00 0.50 H new ATOM 0 HA LYS B 29 -12.668 18.213 2.239 1.00 0.57 H new ATOM 0 HB2 LYS B 29 -10.335 19.782 1.955 1.00 0.61 H new ATOM 0 HB3 LYS B 29 -11.273 20.229 0.544 1.00 0.61 H new ATOM 0 HG2 LYS B 29 -12.956 21.225 1.799 1.00 0.70 H new ATOM 0 HG3 LYS B 29 -12.829 20.056 3.098 1.00 0.70 H new ATOM 0 HD2 LYS B 29 -10.624 21.115 3.781 1.00 0.83 H new ATOM 0 HD3 LYS B 29 -10.855 22.329 2.538 1.00 0.83 H new ATOM 0 HE2 LYS B 29 -12.626 23.380 3.697 1.00 0.86 H new ATOM 0 HE3 LYS B 29 -13.143 21.897 4.475 1.00 0.86 H new ATOM 0 HZ1 LYS B 29 -11.921 23.326 6.034 1.00 1.06 H new ATOM 0 HZ2 LYS B 29 -11.065 21.884 5.767 1.00 1.06 H new ATOM 0 HZ3 LYS B 29 -10.564 23.320 5.012 1.00 1.06 H new ATOM 1409 N PHE B 30 -13.868 17.838 0.140 1.00 0.54 N ATOM 1410 CA PHE B 30 -14.618 17.586 -1.129 1.00 0.56 C ATOM 1411 C PHE B 30 -14.026 16.399 -1.898 1.00 0.58 C ATOM 1412 O PHE B 30 -14.410 16.134 -3.022 1.00 0.63 O ATOM 1413 CB PHE B 30 -14.474 18.868 -1.953 1.00 0.59 C ATOM 1414 CG PHE B 30 -15.119 20.024 -1.225 1.00 0.64 C ATOM 1415 CD1 PHE B 30 -16.364 19.857 -0.606 1.00 0.73 C ATOM 1416 CD2 PHE B 30 -14.473 21.265 -1.174 1.00 0.74 C ATOM 1417 CE1 PHE B 30 -16.960 20.932 0.066 1.00 0.87 C ATOM 1418 CE2 PHE B 30 -15.070 22.339 -0.503 1.00 0.87 C ATOM 1419 CZ PHE B 30 -16.313 22.173 0.117 1.00 0.93 C ATOM 0 H PHE B 30 -14.426 17.754 0.990 1.00 0.54 H new ATOM 0 HA PHE B 30 -15.660 17.340 -0.926 1.00 0.56 H new ATOM 0 HB2 PHE B 30 -13.420 19.081 -2.129 1.00 0.59 H new ATOM 0 HB3 PHE B 30 -14.940 18.737 -2.930 1.00 0.59 H new ATOM 0 HD1 PHE B 30 -16.864 18.901 -0.647 1.00 0.73 H new ATOM 0 HD2 PHE B 30 -13.513 21.394 -1.653 1.00 0.74 H new ATOM 0 HE1 PHE B 30 -17.919 20.804 0.545 1.00 0.87 H new ATOM 0 HE2 PHE B 30 -14.571 23.296 -0.464 1.00 0.87 H new ATOM 0 HZ PHE B 30 -16.773 23.001 0.635 1.00 0.93 H new ATOM 1429 N CYS B 31 -13.101 15.681 -1.321 1.00 0.59 N ATOM 1430 CA CYS B 31 -12.512 14.534 -2.043 1.00 0.62 C ATOM 1431 C CYS B 31 -13.620 13.609 -2.555 1.00 0.67 C ATOM 1432 O CYS B 31 -13.421 12.823 -3.460 1.00 0.74 O ATOM 1433 CB CYS B 31 -11.613 13.825 -1.025 1.00 0.60 C ATOM 1434 SG CYS B 31 -12.617 13.073 0.281 1.00 0.58 S ATOM 0 H CYS B 31 -12.733 15.844 -0.384 1.00 0.59 H new ATOM 0 HA CYS B 31 -11.940 14.844 -2.918 1.00 0.62 H new ATOM 0 HB2 CYS B 31 -11.020 13.059 -1.524 1.00 0.60 H new ATOM 0 HB3 CYS B 31 -10.912 14.537 -0.590 1.00 0.60 H new ATOM 1439 N SER B 32 -14.792 13.701 -1.987 1.00 0.71 N ATOM 1440 CA SER B 32 -15.913 12.834 -2.449 1.00 0.80 C ATOM 1441 C SER B 32 -16.568 13.447 -3.691 1.00 0.86 C ATOM 1442 O SER B 32 -17.390 12.833 -4.342 1.00 0.97 O ATOM 1443 CB SER B 32 -16.898 12.807 -1.280 1.00 0.82 C ATOM 1444 OG SER B 32 -17.557 14.063 -1.189 1.00 0.79 O ATOM 0 H SER B 32 -15.021 14.338 -1.224 1.00 0.71 H new ATOM 0 HA SER B 32 -15.581 11.833 -2.723 1.00 0.80 H new ATOM 0 HB2 SER B 32 -17.628 12.010 -1.424 1.00 0.82 H new ATOM 0 HB3 SER B 32 -16.371 12.592 -0.351 1.00 0.82 H new ATOM 0 HG SER B 32 -18.190 14.047 -0.441 1.00 0.79 H new ATOM 1450 N ILE B 33 -16.206 14.658 -4.023 1.00 0.82 N ATOM 1451 CA ILE B 33 -16.800 15.317 -5.222 1.00 0.87 C ATOM 1452 C ILE B 33 -15.696 15.677 -6.218 1.00 0.84 C ATOM 1453 O ILE B 33 -15.914 15.731 -7.412 1.00 0.93 O ATOM 1454 CB ILE B 33 -17.479 16.578 -4.691 1.00 0.86 C ATOM 1455 CG1 ILE B 33 -18.560 16.182 -3.681 1.00 0.91 C ATOM 1456 CG2 ILE B 33 -18.123 17.342 -5.851 1.00 0.93 C ATOM 1457 CD1 ILE B 33 -18.859 17.364 -2.756 1.00 0.92 C ATOM 0 H ILE B 33 -15.523 15.220 -3.514 1.00 0.82 H new ATOM 0 HA ILE B 33 -17.505 14.671 -5.745 1.00 0.87 H new ATOM 0 HB ILE B 33 -16.738 17.214 -4.207 1.00 0.86 H new ATOM 0 HG12 ILE B 33 -19.467 15.879 -4.204 1.00 0.91 H new ATOM 0 HG13 ILE B 33 -18.228 15.325 -3.096 1.00 0.91 H new ATOM 0 HG21 ILE B 33 -18.607 18.241 -5.470 1.00 0.93 H new ATOM 0 HG22 ILE B 33 -17.356 17.621 -6.573 1.00 0.93 H new ATOM 0 HG23 ILE B 33 -18.865 16.708 -6.336 1.00 0.93 H new ATOM 0 HD11 ILE B 33 -19.629 17.079 -2.039 1.00 0.92 H new ATOM 0 HD12 ILE B 33 -17.952 17.647 -2.222 1.00 0.92 H new ATOM 0 HD13 ILE B 33 -19.210 18.209 -3.348 1.00 0.92 H new ATOM 1469 N ARG B 34 -14.512 15.921 -5.730 1.00 0.75 N ATOM 1470 CA ARG B 34 -13.395 16.271 -6.624 1.00 0.74 C ATOM 1471 C ARG B 34 -12.282 15.225 -6.501 1.00 0.73 C ATOM 1472 O ARG B 34 -11.270 15.297 -7.171 1.00 0.81 O ATOM 1473 CB ARG B 34 -12.920 17.646 -6.151 1.00 0.69 C ATOM 1474 CG ARG B 34 -14.129 18.577 -5.991 1.00 0.62 C ATOM 1475 CD ARG B 34 -14.072 19.687 -7.043 1.00 0.60 C ATOM 1476 NE ARG B 34 -15.204 19.398 -7.968 1.00 0.59 N ATOM 1477 CZ ARG B 34 -15.213 19.910 -9.167 1.00 0.63 C ATOM 1478 NH1 ARG B 34 -14.559 19.323 -10.132 1.00 0.68 N ATOM 1479 NH2 ARG B 34 -15.877 21.010 -9.404 1.00 0.80 N ATOM 0 H ARG B 34 -14.277 15.890 -4.738 1.00 0.75 H new ATOM 0 HA ARG B 34 -13.688 16.294 -7.674 1.00 0.74 H new ATOM 0 HB2 ARG B 34 -12.391 17.553 -5.203 1.00 0.69 H new ATOM 0 HB3 ARG B 34 -12.216 18.066 -6.869 1.00 0.69 H new ATOM 0 HG2 ARG B 34 -15.053 18.009 -6.098 1.00 0.62 H new ATOM 0 HG3 ARG B 34 -14.135 19.011 -4.991 1.00 0.62 H new ATOM 0 HD2 ARG B 34 -14.177 20.671 -6.585 1.00 0.60 H new ATOM 0 HD3 ARG B 34 -13.119 19.682 -7.572 1.00 0.60 H new ATOM 0 HE ARG B 34 -15.972 18.800 -7.663 1.00 0.59 H new ATOM 0 HH11 ARG B 34 -14.041 18.464 -9.948 1.00 0.68 H new ATOM 0 HH12 ARG B 34 -14.566 19.723 -11.070 1.00 0.68 H new ATOM 0 HH21 ARG B 34 -16.389 21.469 -8.651 1.00 0.80 H new ATOM 0 HH22 ARG B 34 -15.883 21.410 -10.342 1.00 0.80 H new ATOM 1493 N GLY B 35 -12.472 14.243 -5.658 1.00 0.65 N ATOM 1494 CA GLY B 35 -11.440 13.176 -5.500 1.00 0.66 C ATOM 1495 C GLY B 35 -10.383 13.603 -4.478 1.00 0.56 C ATOM 1496 O GLY B 35 -9.947 14.738 -4.469 1.00 0.52 O ATOM 0 H GLY B 35 -13.299 14.134 -5.071 1.00 0.65 H new ATOM 0 HA2 GLY B 35 -11.913 12.249 -5.177 1.00 0.66 H new ATOM 0 HA3 GLY B 35 -10.966 12.975 -6.461 1.00 0.66 H new ATOM 1500 N PRO B 36 -9.999 12.662 -3.656 1.00 0.57 N ATOM 1501 CA PRO B 36 -8.970 12.921 -2.619 1.00 0.51 C ATOM 1502 C PRO B 36 -7.591 13.049 -3.268 1.00 0.47 C ATOM 1503 O PRO B 36 -7.461 13.039 -4.475 1.00 0.51 O ATOM 1504 CB PRO B 36 -9.030 11.678 -1.734 1.00 0.64 C ATOM 1505 CG PRO B 36 -9.579 10.604 -2.617 1.00 0.73 C ATOM 1506 CD PRO B 36 -10.483 11.276 -3.617 1.00 0.72 C ATOM 0 HA PRO B 36 -9.142 13.844 -2.065 1.00 0.51 H new ATOM 0 HB2 PRO B 36 -8.042 11.413 -1.357 1.00 0.64 H new ATOM 0 HB3 PRO B 36 -9.669 11.841 -0.866 1.00 0.64 H new ATOM 0 HG2 PRO B 36 -8.774 10.071 -3.122 1.00 0.73 H new ATOM 0 HG3 PRO B 36 -10.131 9.868 -2.032 1.00 0.73 H new ATOM 0 HD2 PRO B 36 -10.417 10.802 -4.596 1.00 0.72 H new ATOM 0 HD3 PRO B 36 -11.527 11.226 -3.308 1.00 0.72 H new ATOM 1514 N VAL B 37 -6.559 13.157 -2.479 1.00 0.43 N ATOM 1515 CA VAL B 37 -5.196 13.268 -3.062 1.00 0.39 C ATOM 1516 C VAL B 37 -4.350 12.096 -2.594 1.00 0.37 C ATOM 1517 O VAL B 37 -4.657 11.436 -1.621 1.00 0.40 O ATOM 1518 CB VAL B 37 -4.643 14.600 -2.553 1.00 0.40 C ATOM 1519 CG1 VAL B 37 -3.130 14.654 -2.780 1.00 0.49 C ATOM 1520 CG2 VAL B 37 -5.310 15.747 -3.316 1.00 0.47 C ATOM 0 H VAL B 37 -6.601 13.173 -1.460 1.00 0.43 H new ATOM 0 HA VAL B 37 -5.198 13.242 -4.152 1.00 0.39 H new ATOM 0 HB VAL B 37 -4.851 14.694 -1.487 1.00 0.40 H new ATOM 0 HG11 VAL B 37 -2.741 15.605 -2.416 1.00 0.49 H new ATOM 0 HG12 VAL B 37 -2.652 13.836 -2.241 1.00 0.49 H new ATOM 0 HG13 VAL B 37 -2.918 14.560 -3.845 1.00 0.49 H new ATOM 0 HG21 VAL B 37 -4.919 16.699 -2.957 1.00 0.47 H new ATOM 0 HG22 VAL B 37 -5.099 15.647 -4.381 1.00 0.47 H new ATOM 0 HG23 VAL B 37 -6.387 15.713 -3.155 1.00 0.47 H new ATOM 1530 N ILE B 38 -3.311 11.809 -3.310 1.00 0.37 N ATOM 1531 CA ILE B 38 -2.463 10.652 -2.950 1.00 0.42 C ATOM 1532 C ILE B 38 -1.010 10.923 -3.349 1.00 0.39 C ATOM 1533 O ILE B 38 -0.683 11.028 -4.514 1.00 0.47 O ATOM 1534 CB ILE B 38 -3.087 9.517 -3.769 1.00 0.50 C ATOM 1535 CG1 ILE B 38 -4.089 8.760 -2.896 1.00 0.55 C ATOM 1536 CG2 ILE B 38 -2.015 8.543 -4.275 1.00 0.60 C ATOM 1537 CD1 ILE B 38 -5.291 8.340 -3.745 1.00 0.57 C ATOM 0 H ILE B 38 -3.010 12.329 -4.134 1.00 0.37 H new ATOM 0 HA ILE B 38 -2.431 10.428 -1.884 1.00 0.42 H new ATOM 0 HB ILE B 38 -3.590 9.951 -4.633 1.00 0.50 H new ATOM 0 HG12 ILE B 38 -3.615 7.882 -2.458 1.00 0.55 H new ATOM 0 HG13 ILE B 38 -4.417 9.391 -2.070 1.00 0.55 H new ATOM 0 HG21 ILE B 38 -2.488 7.749 -4.852 1.00 0.60 H new ATOM 0 HG22 ILE B 38 -1.306 9.078 -4.907 1.00 0.60 H new ATOM 0 HG23 ILE B 38 -1.488 8.109 -3.426 1.00 0.60 H new ATOM 0 HD11 ILE B 38 -6.005 7.800 -3.123 1.00 0.57 H new ATOM 0 HD12 ILE B 38 -5.770 9.226 -4.162 1.00 0.57 H new ATOM 0 HD13 ILE B 38 -4.956 7.694 -4.556 1.00 0.57 H new ATOM 1549 N GLU B 39 -0.138 11.033 -2.386 1.00 0.36 N ATOM 1550 CA GLU B 39 1.292 11.295 -2.702 1.00 0.36 C ATOM 1551 C GLU B 39 2.158 10.144 -2.190 1.00 0.39 C ATOM 1552 O GLU B 39 1.984 9.668 -1.086 1.00 0.45 O ATOM 1553 CB GLU B 39 1.647 12.583 -1.954 1.00 0.36 C ATOM 1554 CG GLU B 39 0.800 13.744 -2.472 1.00 0.39 C ATOM 1555 CD GLU B 39 1.024 14.969 -1.582 1.00 0.40 C ATOM 1556 OE1 GLU B 39 1.791 14.859 -0.639 1.00 0.44 O ATOM 1557 OE2 GLU B 39 0.428 15.996 -1.859 1.00 0.46 O ATOM 0 H GLU B 39 -0.355 10.953 -1.393 1.00 0.36 H new ATOM 0 HA GLU B 39 1.461 11.386 -3.775 1.00 0.36 H new ATOM 0 HB2 GLU B 39 1.479 12.450 -0.885 1.00 0.36 H new ATOM 0 HB3 GLU B 39 2.705 12.808 -2.085 1.00 0.36 H new ATOM 0 HG2 GLU B 39 1.070 13.975 -3.503 1.00 0.39 H new ATOM 0 HG3 GLU B 39 -0.255 13.468 -2.472 1.00 0.39 H new ATOM 1564 N GLN B 40 3.096 9.703 -2.976 1.00 0.40 N ATOM 1565 CA GLN B 40 3.978 8.592 -2.527 1.00 0.46 C ATOM 1566 C GLN B 40 5.425 8.903 -2.912 1.00 0.48 C ATOM 1567 O GLN B 40 5.680 9.742 -3.752 1.00 0.54 O ATOM 1568 CB GLN B 40 3.469 7.354 -3.267 1.00 0.52 C ATOM 1569 CG GLN B 40 3.896 7.422 -4.735 1.00 0.58 C ATOM 1570 CD GLN B 40 2.718 7.035 -5.629 1.00 0.63 C ATOM 1571 OE1 GLN B 40 2.842 6.183 -6.487 1.00 0.76 O ATOM 1572 NE2 GLN B 40 1.567 7.628 -5.462 1.00 0.60 N ATOM 0 H GLN B 40 3.291 10.063 -3.910 1.00 0.40 H new ATOM 0 HA GLN B 40 3.957 8.446 -1.447 1.00 0.46 H new ATOM 0 HB2 GLN B 40 3.867 6.451 -2.803 1.00 0.52 H new ATOM 0 HB3 GLN B 40 2.383 7.296 -3.196 1.00 0.52 H new ATOM 0 HG2 GLN B 40 4.236 8.428 -4.979 1.00 0.58 H new ATOM 0 HG3 GLN B 40 4.736 6.750 -4.912 1.00 0.58 H new ATOM 0 HE21 GLN B 40 1.461 8.343 -4.742 1.00 0.60 H new ATOM 0 HE22 GLN B 40 0.773 7.376 -6.051 1.00 0.60 H new ATOM 1581 N GLY B 41 6.375 8.243 -2.311 1.00 0.48 N ATOM 1582 CA GLY B 41 7.796 8.523 -2.662 1.00 0.47 C ATOM 1583 C GLY B 41 8.720 7.981 -1.572 1.00 0.48 C ATOM 1584 O GLY B 41 8.569 6.866 -1.116 1.00 0.52 O ATOM 0 H GLY B 41 6.232 7.528 -1.598 1.00 0.48 H new ATOM 0 HA2 GLY B 41 8.040 8.063 -3.619 1.00 0.47 H new ATOM 0 HA3 GLY B 41 7.946 9.596 -2.777 1.00 0.47 H new ATOM 1588 N CYS B 42 9.679 8.766 -1.155 1.00 0.47 N ATOM 1589 CA CYS B 42 10.626 8.303 -0.099 1.00 0.50 C ATOM 1590 C CYS B 42 10.534 9.205 1.138 1.00 0.50 C ATOM 1591 O CYS B 42 10.197 10.369 1.047 1.00 0.55 O ATOM 1592 CB CYS B 42 12.018 8.440 -0.723 1.00 0.51 C ATOM 1593 SG CYS B 42 12.160 7.410 -2.208 1.00 0.51 S ATOM 0 H CYS B 42 9.847 9.710 -1.502 1.00 0.47 H new ATOM 0 HA CYS B 42 10.405 7.284 0.219 1.00 0.50 H new ATOM 0 HB2 CYS B 42 12.206 9.483 -0.979 1.00 0.51 H new ATOM 0 HB3 CYS B 42 12.777 8.148 0.002 1.00 0.51 H new ATOM 1598 N VAL B 43 10.847 8.680 2.294 1.00 0.47 N ATOM 1599 CA VAL B 43 10.792 9.515 3.530 1.00 0.47 C ATOM 1600 C VAL B 43 11.738 8.950 4.597 1.00 0.42 C ATOM 1601 O VAL B 43 12.735 9.554 4.936 1.00 0.46 O ATOM 1602 CB VAL B 43 9.338 9.448 4.002 1.00 0.51 C ATOM 1603 CG1 VAL B 43 9.248 9.882 5.469 1.00 0.57 C ATOM 1604 CG2 VAL B 43 8.488 10.389 3.146 1.00 0.56 C ATOM 0 H VAL B 43 11.137 7.712 2.435 1.00 0.47 H new ATOM 0 HA VAL B 43 11.106 10.542 3.344 1.00 0.47 H new ATOM 0 HB VAL B 43 8.973 8.425 3.905 1.00 0.51 H new ATOM 0 HG11 VAL B 43 8.211 9.833 5.800 1.00 0.57 H new ATOM 0 HG12 VAL B 43 9.857 9.218 6.083 1.00 0.57 H new ATOM 0 HG13 VAL B 43 9.612 10.904 5.569 1.00 0.57 H new ATOM 0 HG21 VAL B 43 7.451 10.345 3.478 1.00 0.56 H new ATOM 0 HG22 VAL B 43 8.859 11.409 3.248 1.00 0.56 H new ATOM 0 HG23 VAL B 43 8.548 10.084 2.101 1.00 0.56 H new ATOM 1614 N ALA B 44 11.431 7.798 5.129 1.00 0.48 N ATOM 1615 CA ALA B 44 12.313 7.202 6.174 1.00 0.48 C ATOM 1616 C ALA B 44 11.701 5.903 6.695 1.00 0.53 C ATOM 1617 O ALA B 44 12.206 4.823 6.462 1.00 0.59 O ATOM 1618 CB ALA B 44 12.369 8.248 7.286 1.00 0.63 C ATOM 0 H ALA B 44 10.609 7.244 4.886 1.00 0.48 H new ATOM 0 HA ALA B 44 13.304 6.959 5.792 1.00 0.48 H new ATOM 0 HB1 ALA B 44 13.001 7.884 8.096 1.00 0.63 H new ATOM 0 HB2 ALA B 44 12.783 9.176 6.892 1.00 0.63 H new ATOM 0 HB3 ALA B 44 11.363 8.431 7.665 1.00 0.63 H new ATOM 1624 N THR B 45 10.612 6.006 7.398 1.00 0.59 N ATOM 1625 CA THR B 45 9.947 4.790 7.944 1.00 0.68 C ATOM 1626 C THR B 45 8.436 4.899 7.733 1.00 0.60 C ATOM 1627 O THR B 45 7.866 5.962 7.878 1.00 0.60 O ATOM 1628 CB THR B 45 10.279 4.802 9.437 1.00 0.87 C ATOM 1629 OG1 THR B 45 11.689 4.798 9.608 1.00 1.00 O ATOM 1630 CG2 THR B 45 9.682 3.564 10.107 1.00 1.00 C ATOM 0 H THR B 45 10.149 6.887 7.621 1.00 0.59 H new ATOM 0 HA THR B 45 10.280 3.872 7.460 1.00 0.68 H new ATOM 0 HB THR B 45 9.858 5.698 9.893 1.00 0.87 H new ATOM 0 HG1 THR B 45 11.903 4.807 10.564 1.00 1.00 H new ATOM 0 HG21 THR B 45 9.920 3.575 11.171 1.00 1.00 H new ATOM 0 HG22 THR B 45 8.600 3.566 9.977 1.00 1.00 H new ATOM 0 HG23 THR B 45 10.100 2.666 9.651 1.00 1.00 H new ATOM 1638 N CYS B 46 7.777 3.820 7.397 1.00 0.59 N ATOM 1639 CA CYS B 46 6.302 3.902 7.193 1.00 0.57 C ATOM 1640 C CYS B 46 5.689 4.724 8.325 1.00 0.66 C ATOM 1641 O CYS B 46 5.986 4.503 9.481 1.00 0.81 O ATOM 1642 CB CYS B 46 5.798 2.457 7.244 1.00 0.52 C ATOM 1643 SG CYS B 46 5.675 1.794 5.564 1.00 0.48 S ATOM 0 H CYS B 46 8.190 2.898 7.257 1.00 0.59 H new ATOM 0 HA CYS B 46 6.034 4.379 6.250 1.00 0.57 H new ATOM 0 HB2 CYS B 46 6.477 1.845 7.838 1.00 0.52 H new ATOM 0 HB3 CYS B 46 4.825 2.418 7.733 1.00 0.52 H new ATOM 1648 N PRO B 47 4.859 5.656 7.957 1.00 0.65 N ATOM 1649 CA PRO B 47 4.216 6.527 8.963 1.00 0.75 C ATOM 1650 C PRO B 47 3.206 5.729 9.780 1.00 0.77 C ATOM 1651 O PRO B 47 3.058 4.537 9.601 1.00 0.75 O ATOM 1652 CB PRO B 47 3.531 7.603 8.128 1.00 0.74 C ATOM 1653 CG PRO B 47 3.317 6.973 6.790 1.00 0.70 C ATOM 1654 CD PRO B 47 4.437 5.985 6.592 1.00 0.64 C ATOM 0 HA PRO B 47 4.918 6.949 9.682 1.00 0.75 H new ATOM 0 HB2 PRO B 47 2.586 7.909 8.576 1.00 0.74 H new ATOM 0 HB3 PRO B 47 4.151 8.496 8.050 1.00 0.74 H new ATOM 0 HG2 PRO B 47 2.349 6.474 6.748 1.00 0.70 H new ATOM 0 HG3 PRO B 47 3.322 7.726 6.002 1.00 0.70 H new ATOM 0 HD2 PRO B 47 4.099 5.100 6.054 1.00 0.64 H new ATOM 0 HD3 PRO B 47 5.254 6.417 6.014 1.00 0.64 H new ATOM 1662 N GLN B 48 2.541 6.380 10.689 1.00 0.90 N ATOM 1663 CA GLN B 48 1.551 5.702 11.552 1.00 0.95 C ATOM 1664 C GLN B 48 0.430 5.089 10.710 1.00 0.71 C ATOM 1665 O GLN B 48 -0.725 5.446 10.824 1.00 0.68 O ATOM 1666 CB GLN B 48 1.013 6.808 12.458 1.00 1.23 C ATOM 1667 CG GLN B 48 0.589 6.214 13.801 1.00 1.58 C ATOM 1668 CD GLN B 48 1.390 6.877 14.925 1.00 1.95 C ATOM 1669 OE1 GLN B 48 1.748 8.033 14.828 1.00 2.04 O ATOM 1670 NE2 GLN B 48 1.691 6.188 15.991 1.00 2.27 N ATOM 0 H GLN B 48 2.648 7.378 10.871 1.00 0.90 H new ATOM 0 HA GLN B 48 1.987 4.880 12.120 1.00 0.95 H new ATOM 0 HB2 GLN B 48 1.778 7.570 12.612 1.00 1.23 H new ATOM 0 HB3 GLN B 48 0.164 7.300 11.983 1.00 1.23 H new ATOM 0 HG2 GLN B 48 -0.478 6.369 13.959 1.00 1.58 H new ATOM 0 HG3 GLN B 48 0.758 5.137 13.805 1.00 1.58 H new ATOM 0 HE21 GLN B 48 1.390 5.217 16.072 1.00 2.27 H new ATOM 0 HE22 GLN B 48 2.227 6.620 16.743 1.00 2.27 H new ATOM 1679 N PHE B 49 0.779 4.167 9.870 1.00 0.63 N ATOM 1680 CA PHE B 49 -0.235 3.500 9.001 1.00 0.50 C ATOM 1681 C PHE B 49 -1.508 3.208 9.809 1.00 0.45 C ATOM 1682 O PHE B 49 -1.514 2.370 10.688 1.00 0.57 O ATOM 1683 CB PHE B 49 0.427 2.189 8.563 1.00 0.71 C ATOM 1684 CG PHE B 49 0.896 2.286 7.126 1.00 0.55 C ATOM 1685 CD1 PHE B 49 2.035 3.035 6.802 1.00 0.59 C ATOM 1686 CD2 PHE B 49 0.194 1.609 6.117 1.00 0.44 C ATOM 1687 CE1 PHE B 49 2.469 3.108 5.469 1.00 0.48 C ATOM 1688 CE2 PHE B 49 0.632 1.684 4.788 1.00 0.32 C ATOM 1689 CZ PHE B 49 1.768 2.433 4.465 1.00 0.32 C ATOM 0 H PHE B 49 1.736 3.837 9.741 1.00 0.63 H new ATOM 0 HA PHE B 49 -0.527 4.118 8.152 1.00 0.50 H new ATOM 0 HB2 PHE B 49 1.273 1.967 9.214 1.00 0.71 H new ATOM 0 HB3 PHE B 49 -0.280 1.366 8.666 1.00 0.71 H new ATOM 0 HD1 PHE B 49 2.578 3.555 7.577 1.00 0.59 H new ATOM 0 HD2 PHE B 49 -0.684 1.030 6.365 1.00 0.44 H new ATOM 0 HE1 PHE B 49 3.346 3.687 5.219 1.00 0.48 H new ATOM 0 HE2 PHE B 49 0.091 1.163 4.012 1.00 0.32 H new ATOM 0 HZ PHE B 49 2.104 2.490 3.440 1.00 0.32 H new ATOM 1699 N ARG B 50 -2.585 3.891 9.520 1.00 0.37 N ATOM 1700 CA ARG B 50 -3.848 3.643 10.282 1.00 0.41 C ATOM 1701 C ARG B 50 -4.972 3.208 9.337 1.00 0.37 C ATOM 1702 O ARG B 50 -5.011 3.587 8.183 1.00 0.39 O ATOM 1703 CB ARG B 50 -4.193 4.978 10.937 1.00 0.40 C ATOM 1704 CG ARG B 50 -5.187 4.748 12.076 1.00 0.32 C ATOM 1705 CD ARG B 50 -4.535 5.142 13.401 1.00 0.42 C ATOM 1706 NE ARG B 50 -4.989 6.540 13.647 1.00 0.62 N ATOM 1707 CZ ARG B 50 -4.421 7.255 14.579 1.00 0.85 C ATOM 1708 NH1 ARG B 50 -4.749 7.076 15.828 1.00 1.45 N ATOM 1709 NH2 ARG B 50 -3.526 8.149 14.260 1.00 1.16 N ATOM 0 H ARG B 50 -2.646 4.605 8.795 1.00 0.37 H new ATOM 0 HA ARG B 50 -3.726 2.847 11.016 1.00 0.41 H new ATOM 0 HB2 ARG B 50 -3.289 5.451 11.320 1.00 0.40 H new ATOM 0 HB3 ARG B 50 -4.620 5.657 10.199 1.00 0.40 H new ATOM 0 HG2 ARG B 50 -6.089 5.337 11.912 1.00 0.32 H new ATOM 0 HG3 ARG B 50 -5.491 3.702 12.104 1.00 0.32 H new ATOM 0 HD2 ARG B 50 -4.845 4.478 14.208 1.00 0.42 H new ATOM 0 HD3 ARG B 50 -3.448 5.084 13.340 1.00 0.42 H new ATOM 0 HE ARG B 50 -5.743 6.938 13.087 1.00 0.62 H new ATOM 0 HH11 ARG B 50 -5.449 6.377 16.076 1.00 1.45 H new ATOM 0 HH12 ARG B 50 -4.305 7.635 16.557 1.00 1.45 H new ATOM 0 HH21 ARG B 50 -3.271 8.289 13.282 1.00 1.16 H new ATOM 0 HH22 ARG B 50 -3.082 8.708 14.988 1.00 1.16 H new ATOM 1723 N SER B 51 -5.892 2.419 9.826 1.00 0.40 N ATOM 1724 CA SER B 51 -7.027 1.957 8.972 1.00 0.43 C ATOM 1725 C SER B 51 -8.082 3.064 8.796 1.00 0.42 C ATOM 1726 O SER B 51 -9.216 2.792 8.456 1.00 0.59 O ATOM 1727 CB SER B 51 -7.625 0.767 9.722 1.00 0.57 C ATOM 1728 OG SER B 51 -8.324 1.234 10.867 1.00 0.65 O ATOM 0 H SER B 51 -5.907 2.073 10.785 1.00 0.40 H new ATOM 0 HA SER B 51 -6.692 1.693 7.969 1.00 0.43 H new ATOM 0 HB2 SER B 51 -8.301 0.215 9.070 1.00 0.57 H new ATOM 0 HB3 SER B 51 -6.836 0.077 10.020 1.00 0.57 H new ATOM 0 HG SER B 51 -8.710 0.472 11.348 1.00 0.65 H new ATOM 1734 N ASN B 52 -7.734 4.305 9.028 1.00 0.30 N ATOM 1735 CA ASN B 52 -8.742 5.393 8.869 1.00 0.31 C ATOM 1736 C ASN B 52 -8.295 6.377 7.786 1.00 0.32 C ATOM 1737 O ASN B 52 -8.789 7.484 7.696 1.00 0.40 O ATOM 1738 CB ASN B 52 -8.801 6.087 10.230 1.00 0.30 C ATOM 1739 CG ASN B 52 -10.258 6.394 10.585 1.00 0.28 C ATOM 1740 OD1 ASN B 52 -10.705 7.517 10.453 1.00 0.31 O ATOM 1741 ND2 ASN B 52 -11.024 5.438 11.036 1.00 0.37 N ATOM 0 H ASN B 52 -6.804 4.608 9.318 1.00 0.30 H new ATOM 0 HA ASN B 52 -9.716 5.008 8.566 1.00 0.31 H new ATOM 0 HB2 ASN B 52 -8.356 5.450 10.994 1.00 0.30 H new ATOM 0 HB3 ASN B 52 -8.220 7.009 10.205 1.00 0.30 H new ATOM 0 HD21 ASN B 52 -11.996 5.634 11.277 1.00 0.37 H new ATOM 0 HD22 ASN B 52 -10.651 4.495 11.147 1.00 0.37 H new ATOM 1748 N TYR B 53 -7.373 5.978 6.954 1.00 0.30 N ATOM 1749 CA TYR B 53 -6.903 6.879 5.864 1.00 0.34 C ATOM 1750 C TYR B 53 -7.630 6.512 4.563 1.00 0.40 C ATOM 1751 O TYR B 53 -8.768 6.090 4.586 1.00 0.50 O ATOM 1752 CB TYR B 53 -5.398 6.620 5.755 1.00 0.36 C ATOM 1753 CG TYR B 53 -4.699 7.217 6.953 1.00 0.28 C ATOM 1754 CD1 TYR B 53 -4.826 8.585 7.228 1.00 0.25 C ATOM 1755 CD2 TYR B 53 -3.924 6.406 7.790 1.00 0.40 C ATOM 1756 CE1 TYR B 53 -4.179 9.140 8.338 1.00 0.28 C ATOM 1757 CE2 TYR B 53 -3.276 6.963 8.901 1.00 0.42 C ATOM 1758 CZ TYR B 53 -3.404 8.328 9.174 1.00 0.33 C ATOM 1759 OH TYR B 53 -2.765 8.875 10.269 1.00 0.43 O ATOM 0 H TYR B 53 -6.923 5.063 6.982 1.00 0.30 H new ATOM 0 HA TYR B 53 -7.105 7.932 6.059 1.00 0.34 H new ATOM 0 HB2 TYR B 53 -5.205 5.548 5.704 1.00 0.36 H new ATOM 0 HB3 TYR B 53 -5.008 7.058 4.836 1.00 0.36 H new ATOM 0 HD1 TYR B 53 -5.424 9.212 6.583 1.00 0.25 H new ATOM 0 HD2 TYR B 53 -3.825 5.351 7.580 1.00 0.40 H new ATOM 0 HE1 TYR B 53 -4.278 10.194 8.549 1.00 0.28 H new ATOM 0 HE2 TYR B 53 -2.677 6.337 9.546 1.00 0.42 H new ATOM 0 HH TYR B 53 -2.271 8.174 10.743 1.00 0.43 H new ATOM 1769 N ARG B 54 -7.000 6.667 3.431 1.00 0.38 N ATOM 1770 CA ARG B 54 -7.685 6.321 2.153 1.00 0.46 C ATOM 1771 C ARG B 54 -6.924 5.207 1.427 1.00 0.47 C ATOM 1772 O ARG B 54 -7.487 4.479 0.633 1.00 0.59 O ATOM 1773 CB ARG B 54 -7.661 7.612 1.331 1.00 0.52 C ATOM 1774 CG ARG B 54 -8.869 7.645 0.392 1.00 0.55 C ATOM 1775 CD ARG B 54 -10.085 8.195 1.143 1.00 0.52 C ATOM 1776 NE ARG B 54 -11.001 7.032 1.293 1.00 0.61 N ATOM 1777 CZ ARG B 54 -11.840 6.737 0.338 1.00 0.66 C ATOM 1778 NH1 ARG B 54 -11.525 6.988 -0.903 1.00 0.74 N ATOM 1779 NH2 ARG B 54 -12.990 6.191 0.624 1.00 0.76 N ATOM 0 H ARG B 54 -6.046 7.016 3.335 1.00 0.38 H new ATOM 0 HA ARG B 54 -8.700 5.957 2.313 1.00 0.46 H new ATOM 0 HB2 ARG B 54 -7.679 8.477 1.994 1.00 0.52 H new ATOM 0 HB3 ARG B 54 -6.738 7.671 0.755 1.00 0.52 H new ATOM 0 HG2 ARG B 54 -8.652 8.268 -0.476 1.00 0.55 H new ATOM 0 HG3 ARG B 54 -9.081 6.643 0.020 1.00 0.55 H new ATOM 0 HD2 ARG B 54 -9.800 8.601 2.114 1.00 0.52 H new ATOM 0 HD3 ARG B 54 -10.560 9.003 0.587 1.00 0.52 H new ATOM 0 HE ARG B 54 -10.973 6.466 2.141 1.00 0.61 H new ATOM 0 HH11 ARG B 54 -10.625 7.414 -1.125 1.00 0.74 H new ATOM 0 HH12 ARG B 54 -12.179 6.758 -1.652 1.00 0.74 H new ATOM 0 HH21 ARG B 54 -13.234 5.994 1.595 1.00 0.76 H new ATOM 0 HH22 ARG B 54 -13.645 5.961 -0.123 1.00 0.76 H new ATOM 1793 N SER B 55 -5.651 5.068 1.698 1.00 0.41 N ATOM 1794 CA SER B 55 -4.847 3.998 1.024 1.00 0.43 C ATOM 1795 C SER B 55 -3.355 4.249 1.221 1.00 0.41 C ATOM 1796 O SER B 55 -2.802 5.206 0.717 1.00 0.41 O ATOM 1797 CB SER B 55 -5.214 4.082 -0.460 1.00 0.42 C ATOM 1798 OG SER B 55 -4.026 4.137 -1.241 1.00 0.46 O ATOM 0 H SER B 55 -5.132 5.648 2.357 1.00 0.41 H new ATOM 0 HA SER B 55 -5.060 3.012 1.436 1.00 0.43 H new ATOM 0 HB2 SER B 55 -5.811 3.216 -0.747 1.00 0.42 H new ATOM 0 HB3 SER B 55 -5.825 4.966 -0.645 1.00 0.42 H new ATOM 0 HG SER B 55 -4.261 4.190 -2.191 1.00 0.46 H new ATOM 1804 N LEU B 56 -2.699 3.390 1.949 1.00 0.46 N ATOM 1805 CA LEU B 56 -1.240 3.566 2.174 1.00 0.45 C ATOM 1806 C LEU B 56 -0.479 2.347 1.645 1.00 0.50 C ATOM 1807 O LEU B 56 -0.964 1.234 1.686 1.00 0.60 O ATOM 1808 CB LEU B 56 -1.086 3.683 3.690 1.00 0.55 C ATOM 1809 CG LEU B 56 -1.844 4.915 4.188 1.00 0.34 C ATOM 1810 CD1 LEU B 56 -2.547 4.589 5.505 1.00 0.47 C ATOM 1811 CD2 LEU B 56 -0.854 6.059 4.417 1.00 0.34 C ATOM 0 H LEU B 56 -3.112 2.573 2.398 1.00 0.46 H new ATOM 0 HA LEU B 56 -0.840 4.439 1.658 1.00 0.45 H new ATOM 0 HB2 LEU B 56 -1.471 2.786 4.175 1.00 0.55 H new ATOM 0 HB3 LEU B 56 -0.031 3.761 3.954 1.00 0.55 H new ATOM 0 HG LEU B 56 -2.584 5.209 3.444 1.00 0.34 H new ATOM 0 HD11 LEU B 56 -3.086 5.469 5.857 1.00 0.47 H new ATOM 0 HD12 LEU B 56 -3.250 3.771 5.349 1.00 0.47 H new ATOM 0 HD13 LEU B 56 -1.807 4.295 6.249 1.00 0.47 H new ATOM 0 HD21 LEU B 56 -1.391 6.939 4.772 1.00 0.34 H new ATOM 0 HD22 LEU B 56 -0.117 5.759 5.162 1.00 0.34 H new ATOM 0 HD23 LEU B 56 -0.348 6.296 3.481 1.00 0.34 H new ATOM 1823 N LEU B 57 0.713 2.545 1.158 1.00 0.48 N ATOM 1824 CA LEU B 57 1.505 1.396 0.637 1.00 0.55 C ATOM 1825 C LEU B 57 2.798 1.264 1.430 1.00 0.51 C ATOM 1826 O LEU B 57 3.801 1.860 1.099 1.00 0.59 O ATOM 1827 CB LEU B 57 1.815 1.745 -0.817 1.00 0.59 C ATOM 1828 CG LEU B 57 0.784 1.085 -1.729 1.00 0.63 C ATOM 1829 CD1 LEU B 57 -0.322 2.089 -2.062 1.00 0.63 C ATOM 1830 CD2 LEU B 57 1.468 0.629 -3.020 1.00 0.74 C ATOM 0 H LEU B 57 1.174 3.453 1.098 1.00 0.48 H new ATOM 0 HA LEU B 57 0.967 0.452 0.721 1.00 0.55 H new ATOM 0 HB2 LEU B 57 1.799 2.826 -0.954 1.00 0.59 H new ATOM 0 HB3 LEU B 57 2.817 1.406 -1.078 1.00 0.59 H new ATOM 0 HG LEU B 57 0.348 0.223 -1.223 1.00 0.63 H new ATOM 0 HD11 LEU B 57 -1.058 1.617 -2.713 1.00 0.63 H new ATOM 0 HD12 LEU B 57 -0.807 2.414 -1.142 1.00 0.63 H new ATOM 0 HD13 LEU B 57 0.110 2.952 -2.569 1.00 0.63 H new ATOM 0 HD21 LEU B 57 0.734 0.157 -3.673 1.00 0.74 H new ATOM 0 HD22 LEU B 57 1.903 1.491 -3.526 1.00 0.74 H new ATOM 0 HD23 LEU B 57 2.255 -0.087 -2.782 1.00 0.74 H new ATOM 1842 N CYS B 58 2.790 0.494 2.477 1.00 0.48 N ATOM 1843 CA CYS B 58 4.030 0.347 3.276 1.00 0.45 C ATOM 1844 C CYS B 58 4.984 -0.625 2.590 1.00 0.39 C ATOM 1845 O CYS B 58 4.872 -1.829 2.724 1.00 0.48 O ATOM 1846 CB CYS B 58 3.585 -0.199 4.634 1.00 0.52 C ATOM 1847 SG CYS B 58 4.954 -0.078 5.814 1.00 0.70 S ATOM 0 H CYS B 58 1.985 -0.036 2.812 1.00 0.48 H new ATOM 0 HA CYS B 58 4.560 1.293 3.383 1.00 0.45 H new ATOM 0 HB2 CYS B 58 2.725 0.363 5.000 1.00 0.52 H new ATOM 0 HB3 CYS B 58 3.268 -1.237 4.534 1.00 0.52 H new ATOM 1852 N CYS B 59 5.933 -0.106 1.869 1.00 0.30 N ATOM 1853 CA CYS B 59 6.917 -0.983 1.183 1.00 0.25 C ATOM 1854 C CYS B 59 8.295 -0.686 1.755 1.00 0.25 C ATOM 1855 O CYS B 59 9.147 -1.548 1.851 1.00 0.34 O ATOM 1856 CB CYS B 59 6.859 -0.589 -0.293 1.00 0.28 C ATOM 1857 SG CYS B 59 5.645 -1.621 -1.152 1.00 0.29 S ATOM 0 H CYS B 59 6.071 0.894 1.724 1.00 0.30 H new ATOM 0 HA CYS B 59 6.708 -2.045 1.313 1.00 0.25 H new ATOM 0 HB2 CYS B 59 6.589 0.463 -0.388 1.00 0.28 H new ATOM 0 HB3 CYS B 59 7.841 -0.709 -0.750 1.00 0.28 H new ATOM 1862 N THR B 60 8.508 0.535 2.164 1.00 0.26 N ATOM 1863 CA THR B 60 9.814 0.903 2.763 1.00 0.27 C ATOM 1864 C THR B 60 10.952 0.325 1.918 1.00 0.21 C ATOM 1865 O THR B 60 12.037 0.066 2.401 1.00 0.25 O ATOM 1866 CB THR B 60 9.764 0.290 4.169 1.00 0.35 C ATOM 1867 OG1 THR B 60 9.981 -1.112 4.082 1.00 0.38 O ATOM 1868 CG2 THR B 60 8.381 0.560 4.795 1.00 0.44 C ATOM 0 H THR B 60 7.829 1.294 2.107 1.00 0.26 H new ATOM 0 HA THR B 60 9.992 1.978 2.805 1.00 0.27 H new ATOM 0 HB THR B 60 10.539 0.738 4.791 1.00 0.35 H new ATOM 0 HG1 THR B 60 9.770 -1.420 3.176 1.00 0.38 H new ATOM 0 HG21 THR B 60 8.343 0.126 5.794 1.00 0.44 H new ATOM 0 HG22 THR B 60 8.215 1.635 4.860 1.00 0.44 H new ATOM 0 HG23 THR B 60 7.606 0.110 4.174 1.00 0.44 H new ATOM 1876 N THR B 61 10.705 0.135 0.647 1.00 0.20 N ATOM 1877 CA THR B 61 11.757 -0.409 -0.264 1.00 0.24 C ATOM 1878 C THR B 61 11.742 0.365 -1.589 1.00 0.23 C ATOM 1879 O THR B 61 10.792 1.056 -1.897 1.00 0.33 O ATOM 1880 CB THR B 61 11.364 -1.866 -0.501 1.00 0.30 C ATOM 1881 OG1 THR B 61 10.079 -1.912 -1.104 1.00 0.37 O ATOM 1882 CG2 THR B 61 11.332 -2.614 0.831 1.00 0.33 C ATOM 0 H THR B 61 9.812 0.335 0.198 1.00 0.20 H new ATOM 0 HA THR B 61 12.758 -0.321 0.158 1.00 0.24 H new ATOM 0 HB THR B 61 12.094 -2.338 -1.159 1.00 0.30 H new ATOM 0 HG1 THR B 61 9.824 -2.845 -1.259 1.00 0.37 H new ATOM 0 HG21 THR B 61 11.051 -3.653 0.658 1.00 0.33 H new ATOM 0 HG22 THR B 61 12.319 -2.577 1.293 1.00 0.33 H new ATOM 0 HG23 THR B 61 10.603 -2.147 1.493 1.00 0.33 H new ATOM 1890 N ASP B 62 12.777 0.253 -2.379 1.00 0.19 N ATOM 1891 CA ASP B 62 12.800 0.989 -3.681 1.00 0.19 C ATOM 1892 C ASP B 62 12.138 0.164 -4.791 1.00 0.22 C ATOM 1893 O ASP B 62 12.310 -1.036 -4.879 1.00 0.32 O ATOM 1894 CB ASP B 62 14.279 1.202 -3.997 1.00 0.22 C ATOM 1895 CG ASP B 62 14.854 2.274 -3.071 1.00 0.23 C ATOM 1896 OD1 ASP B 62 14.165 2.657 -2.140 1.00 0.32 O ATOM 1897 OD2 ASP B 62 15.974 2.695 -3.310 1.00 0.33 O ATOM 0 H ASP B 62 13.603 -0.312 -2.183 1.00 0.19 H new ATOM 0 HA ASP B 62 12.250 1.928 -3.617 1.00 0.19 H new ATOM 0 HB2 ASP B 62 14.826 0.268 -3.871 1.00 0.22 H new ATOM 0 HB3 ASP B 62 14.399 1.504 -5.037 1.00 0.22 H new ATOM 1902 N ASN B 63 11.392 0.809 -5.648 1.00 0.22 N ATOM 1903 CA ASN B 63 10.726 0.085 -6.768 1.00 0.25 C ATOM 1904 C ASN B 63 9.902 -1.088 -6.236 1.00 0.25 C ATOM 1905 O ASN B 63 9.901 -2.163 -6.800 1.00 0.31 O ATOM 1906 CB ASN B 63 11.869 -0.420 -7.648 1.00 0.31 C ATOM 1907 CG ASN B 63 12.790 0.749 -7.998 1.00 0.32 C ATOM 1908 OD1 ASN B 63 12.342 1.762 -8.496 1.00 0.49 O ATOM 1909 ND2 ASN B 63 14.068 0.652 -7.754 1.00 0.34 N ATOM 0 H ASN B 63 11.215 1.813 -5.619 1.00 0.22 H new ATOM 0 HA ASN B 63 10.038 0.727 -7.317 1.00 0.25 H new ATOM 0 HB2 ASN B 63 12.429 -1.196 -7.127 1.00 0.31 H new ATOM 0 HB3 ASN B 63 11.472 -0.870 -8.558 1.00 0.31 H new ATOM 0 HD21 ASN B 63 14.691 1.427 -7.981 1.00 0.34 H new ATOM 0 HD22 ASN B 63 14.444 -0.199 -7.336 1.00 0.34 H new ATOM 1916 N CYS B 64 9.200 -0.891 -5.158 1.00 0.27 N ATOM 1917 CA CYS B 64 8.373 -1.995 -4.596 1.00 0.31 C ATOM 1918 C CYS B 64 7.417 -2.530 -5.667 1.00 0.32 C ATOM 1919 O CYS B 64 7.190 -3.720 -5.775 1.00 0.38 O ATOM 1920 CB CYS B 64 7.598 -1.353 -3.450 1.00 0.36 C ATOM 1921 SG CYS B 64 6.738 -2.639 -2.514 1.00 0.36 S ATOM 0 H CYS B 64 9.162 -0.013 -4.640 1.00 0.27 H new ATOM 0 HA CYS B 64 8.973 -2.840 -4.258 1.00 0.31 H new ATOM 0 HB2 CYS B 64 8.278 -0.806 -2.797 1.00 0.36 H new ATOM 0 HB3 CYS B 64 6.881 -0.631 -3.840 1.00 0.36 H new ATOM 1926 N ASN B 65 6.850 -1.659 -6.456 1.00 0.41 N ATOM 1927 CA ASN B 65 5.909 -2.114 -7.520 1.00 0.43 C ATOM 1928 C ASN B 65 6.686 -2.516 -8.779 1.00 0.57 C ATOM 1929 O ASN B 65 6.669 -1.824 -9.779 1.00 0.83 O ATOM 1930 CB ASN B 65 5.022 -0.899 -7.798 1.00 0.54 C ATOM 1931 CG ASN B 65 3.848 -1.313 -8.687 1.00 0.83 C ATOM 1932 OD1 ASN B 65 4.041 -1.752 -9.803 1.00 1.21 O ATOM 1933 ND2 ASN B 65 2.629 -1.188 -8.236 1.00 0.80 N ATOM 0 H ASN B 65 6.998 -0.651 -6.410 1.00 0.41 H new ATOM 0 HA ASN B 65 5.328 -2.986 -7.218 1.00 0.43 H new ATOM 0 HB2 ASN B 65 4.652 -0.484 -6.860 1.00 0.54 H new ATOM 0 HB3 ASN B 65 5.603 -0.116 -8.286 1.00 0.54 H new ATOM 0 HD21 ASN B 65 1.839 -1.459 -8.821 1.00 0.80 H new ATOM 0 HD22 ASN B 65 2.467 -0.819 -7.299 1.00 0.80 H new ATOM 1940 N HIS B 66 7.362 -3.633 -8.738 1.00 0.48 N ATOM 1941 CA HIS B 66 8.131 -4.089 -9.915 1.00 0.61 C ATOM 1942 C HIS B 66 8.433 -5.585 -9.801 1.00 0.75 C ATOM 1943 O HIS B 66 9.064 -5.970 -8.830 1.00 0.76 O ATOM 1944 CB HIS B 66 9.421 -3.268 -9.898 1.00 0.53 C ATOM 1945 CG HIS B 66 10.333 -3.737 -10.998 1.00 0.70 C ATOM 1946 ND1 HIS B 66 9.863 -4.082 -12.256 1.00 0.92 N ATOM 1947 CD2 HIS B 66 11.694 -3.916 -11.044 1.00 0.79 C ATOM 1948 CE1 HIS B 66 10.925 -4.444 -13.000 1.00 1.10 C ATOM 1949 NE2 HIS B 66 12.065 -4.361 -12.309 1.00 1.03 N ATOM 1950 OXT HIS B 66 8.028 -6.321 -10.686 1.00 0.95 O ATOM 0 H HIS B 66 7.410 -4.250 -7.927 1.00 0.48 H new ATOM 0 HA HIS B 66 7.581 -3.950 -10.846 1.00 0.61 H new ATOM 0 HB2 HIS B 66 9.192 -2.210 -10.028 1.00 0.53 H new ATOM 0 HB3 HIS B 66 9.917 -3.371 -8.933 1.00 0.53 H new ATOM 0 HD2 HIS B 66 12.373 -3.738 -10.223 1.00 0.79 H new ATOM 0 HE1 HIS B 66 10.863 -4.763 -14.030 1.00 1.10 H new ATOM 0 HE2 HIS B 66 13.006 -4.577 -12.638 1.00 1.03 H new TER 1958 HIS B 66