USER MOD reduce.3.24.130724 H: found=0, std=0, add=956, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 962 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 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= -0.194 K(o=-0.19,f=-3.2) USER MOD Single : A 12 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.297) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -0.161 K(o=-0.16,f=-1.1) USER MOD Single : A 22 HIS : no HE2:sc= -8.24! C(o=-8.2!,f=-9.8!) USER MOD Single : A 26 MET CE :methyl -155:sc= -0.998 (180deg=-1.93) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -0.149 K(o=-0.15,f=-0.85) USER MOD Single : A 35 THR OG1 : rot -56:sc= 1.15 USER MOD Single : A 37 SER OG : rot -117:sc= 1.21 USER MOD Single : A 40 CYS SG : rot 61:sc= -2.05! USER MOD Single : A 45 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.161) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= 0.204 X(o=0.2,f=-0.026) USER MOD Single : A 51 HIS : no HD1:sc= 0.556 K(o=0.56,f=-6.7!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= -0.108 X(o=-0.11,f=-0.28) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -169:sc=-0.00467 (180deg=-0.131) USER MOD Single : B 5 TYR OH : rot 180:sc= 0 USER MOD Single : B 6 LYS NZ :NH3+ -165:sc= -0.016 (180deg=-0.214) USER MOD Single : B 9 ASN : amide:sc= -0.624 K(o=-0.62,f=-2.9!) USER MOD Single : B 12 LYS NZ :NH3+ 172:sc= 0.118 (180deg=-0.022) USER MOD Single : B 16 TYR OH : rot -52:sc= 0.0457 USER MOD Single : B 19 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : B 22 HIS : no HD1:sc= -7.21! C(o=-7.2!,f=-4.4!) USER MOD Single : B 26 MET CE :methyl -178:sc= -0.836 (180deg=-0.852) USER MOD Single : B 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 33 ASN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : B 35 THR OG1 : rot -62:sc= 0.889 USER MOD Single : B 37 SER OG : rot -151:sc= 0.258 USER MOD Single : B 40 CYS SG : rot -4:sc= -4.65! USER MOD Single : B 45 LYS NZ :NH3+ -161:sc= 1.07 (180deg=0.731) USER MOD Single : B 47 TYR OH : rot 180:sc= 0 USER MOD Single : B 50 ASN : amide:sc= 0.983 K(o=0.98,f=-0.67) USER MOD Single : B 51 HIS : no HD1:sc= 0.249 K(o=0.25,f=-2.4!) USER MOD Single : B 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 54 GLN : amide:sc= -0.211 X(o=-0.21,f=-0.39) USER MOD Single : B 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 56 LYS NZ :NH3+ -160:sc= -0.066 (180deg=-0.417) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 2 -19.842 20.088 -5.968 1.00 0.00 N ATOM 2 CA GLY A 2 -19.219 18.742 -5.948 1.00 0.00 C ATOM 3 C GLY A 2 -18.262 18.565 -4.788 1.00 0.00 C ATOM 4 O GLY A 2 -18.526 19.055 -3.688 1.00 0.00 O ATOM 0 HA2 GLY A 2 -20.000 17.984 -5.890 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -18.685 18.578 -6.884 1.00 0.00 H new ATOM 10 N ARG A 3 -17.145 17.883 -5.045 1.00 0.00 N ATOM 11 CA ARG A 3 -16.154 17.566 -4.016 1.00 0.00 C ATOM 12 C ARG A 3 -16.797 16.734 -2.904 1.00 0.00 C ATOM 13 O ARG A 3 -17.138 17.250 -1.838 1.00 0.00 O ATOM 14 CB ARG A 3 -15.520 18.849 -3.452 1.00 0.00 C ATOM 15 CG ARG A 3 -14.502 18.613 -2.342 1.00 0.00 C ATOM 16 CD ARG A 3 -13.355 17.721 -2.796 1.00 0.00 C ATOM 17 NE ARG A 3 -12.561 18.333 -3.862 1.00 0.00 N ATOM 18 CZ ARG A 3 -11.464 17.784 -4.385 1.00 0.00 C ATOM 19 NH1 ARG A 3 -11.024 16.606 -3.950 1.00 0.00 N ATOM 20 NH2 ARG A 3 -10.803 18.420 -5.343 1.00 0.00 N ATOM 0 H ARG A 3 -16.902 17.535 -5.972 1.00 0.00 H new ATOM 0 HA ARG A 3 -15.357 16.976 -4.470 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -15.034 19.388 -4.266 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -16.312 19.494 -3.071 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -14.105 19.571 -2.006 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -14.999 18.156 -1.486 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -12.709 17.503 -1.945 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -13.755 16.769 -3.145 1.00 0.00 H new ATOM 0 HE ARG A 3 -12.865 19.235 -4.228 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -11.527 16.115 -3.211 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -10.184 16.194 -4.356 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -11.134 19.325 -5.677 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -9.963 18.004 -5.746 1.00 0.00 H new ATOM 34 N PRO A 4 -16.987 15.431 -3.160 1.00 0.00 N ATOM 35 CA PRO A 4 -17.601 14.509 -2.199 1.00 0.00 C ATOM 36 C PRO A 4 -16.711 14.277 -0.980 1.00 0.00 C ATOM 37 O PRO A 4 -15.519 14.591 -0.993 1.00 0.00 O ATOM 38 CB PRO A 4 -17.753 13.203 -2.995 1.00 0.00 C ATOM 39 CG PRO A 4 -17.551 13.577 -4.425 1.00 0.00 C ATOM 40 CD PRO A 4 -16.621 14.749 -4.411 1.00 0.00 C ATOM 0 HA PRO A 4 -18.541 14.898 -1.808 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -17.019 12.462 -2.676 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -18.738 12.763 -2.841 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -17.126 12.747 -4.990 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -18.498 13.834 -4.900 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -15.576 14.438 -4.413 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -16.764 15.391 -5.280 1.00 0.00 H new ATOM 48 N TYR A 5 -17.289 13.683 0.057 1.00 0.00 N ATOM 49 CA TYR A 5 -16.571 13.450 1.303 1.00 0.00 C ATOM 50 C TYR A 5 -15.708 12.206 1.185 1.00 0.00 C ATOM 51 O TYR A 5 -14.851 11.946 2.027 1.00 0.00 O ATOM 52 CB TYR A 5 -17.547 13.294 2.467 1.00 0.00 C ATOM 53 CG TYR A 5 -18.355 14.536 2.760 1.00 0.00 C ATOM 54 CD1 TYR A 5 -17.838 15.552 3.552 1.00 0.00 C ATOM 55 CD2 TYR A 5 -19.641 14.686 2.256 1.00 0.00 C ATOM 56 CE1 TYR A 5 -18.579 16.681 3.835 1.00 0.00 C ATOM 57 CE2 TYR A 5 -20.386 15.815 2.533 1.00 0.00 C ATOM 58 CZ TYR A 5 -19.852 16.807 3.323 1.00 0.00 C ATOM 59 OH TYR A 5 -20.595 17.931 3.606 1.00 0.00 O ATOM 0 H TYR A 5 -18.254 13.354 0.059 1.00 0.00 H new ATOM 0 HA TYR A 5 -15.933 14.312 1.496 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -18.229 12.472 2.249 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -16.989 13.016 3.361 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -16.840 15.457 3.953 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -20.064 13.908 1.638 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -18.163 17.462 4.455 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -21.383 15.919 2.131 1.00 0.00 H new ATOM 0 HH TYR A 5 -21.469 17.864 3.168 1.00 0.00 H new ATOM 69 N LYS A 6 -15.940 11.452 0.121 1.00 0.00 N ATOM 70 CA LYS A 6 -15.131 10.285 -0.191 1.00 0.00 C ATOM 71 C LYS A 6 -13.962 10.689 -1.079 1.00 0.00 C ATOM 72 O LYS A 6 -13.168 9.843 -1.494 1.00 0.00 O ATOM 73 CB LYS A 6 -15.971 9.239 -0.925 1.00 0.00 C ATOM 74 CG LYS A 6 -16.518 9.732 -2.261 1.00 0.00 C ATOM 75 CD LYS A 6 -16.939 8.579 -3.158 1.00 0.00 C ATOM 76 CE LYS A 6 -17.411 9.073 -4.517 1.00 0.00 C ATOM 77 NZ LYS A 6 -18.768 9.678 -4.454 1.00 0.00 N ATOM 0 H LYS A 6 -16.690 11.631 -0.547 1.00 0.00 H new ATOM 0 HA LYS A 6 -14.759 9.863 0.742 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -15.364 8.350 -1.095 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -16.803 8.940 -0.288 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -17.372 10.386 -2.085 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -15.759 10.328 -2.767 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -16.101 7.894 -3.290 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -17.738 8.016 -2.677 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -16.704 9.809 -4.900 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -17.418 8.241 -5.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -19.049 10.000 -5.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -19.449 8.969 -4.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -18.757 10.488 -3.802 1.00 0.00 H new ATOM 91 N LEU A 7 -13.886 11.991 -1.364 1.00 0.00 N ATOM 92 CA LEU A 7 -12.932 12.543 -2.320 1.00 0.00 C ATOM 93 C LEU A 7 -13.147 11.912 -3.688 1.00 0.00 C ATOM 94 O LEU A 7 -13.977 12.380 -4.467 1.00 0.00 O ATOM 95 CB LEU A 7 -11.481 12.359 -1.852 1.00 0.00 C ATOM 96 CG LEU A 7 -11.132 13.042 -0.525 1.00 0.00 C ATOM 97 CD1 LEU A 7 -9.688 12.765 -0.146 1.00 0.00 C ATOM 98 CD2 LEU A 7 -11.372 14.543 -0.610 1.00 0.00 C ATOM 0 H LEU A 7 -14.489 12.693 -0.934 1.00 0.00 H new ATOM 0 HA LEU A 7 -13.108 13.616 -2.392 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -11.279 11.292 -1.757 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -10.815 12.742 -2.625 1.00 0.00 H new ATOM 0 HG LEU A 7 -11.782 12.631 0.247 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -9.459 13.258 0.799 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -9.539 11.690 -0.040 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -9.028 13.147 -0.924 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -11.118 15.007 0.343 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -10.749 14.967 -1.398 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -12.421 14.731 -0.836 1.00 0.00 H new ATOM 110 N LEU A 8 -12.433 10.828 -3.954 1.00 0.00 N ATOM 111 CA LEU A 8 -12.614 10.061 -5.176 1.00 0.00 C ATOM 112 C LEU A 8 -12.382 8.582 -4.899 1.00 0.00 C ATOM 113 O LEU A 8 -11.502 7.951 -5.491 1.00 0.00 O ATOM 114 CB LEU A 8 -11.684 10.556 -6.290 1.00 0.00 C ATOM 115 CG LEU A 8 -12.114 11.863 -6.967 1.00 0.00 C ATOM 116 CD1 LEU A 8 -11.096 12.281 -8.015 1.00 0.00 C ATOM 117 CD2 LEU A 8 -13.491 11.705 -7.598 1.00 0.00 C ATOM 0 H LEU A 8 -11.715 10.457 -3.331 1.00 0.00 H new ATOM 0 HA LEU A 8 -13.639 10.202 -5.519 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -10.686 10.692 -5.874 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -11.609 9.779 -7.051 1.00 0.00 H new ATOM 0 HG LEU A 8 -12.167 12.643 -6.208 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -11.418 13.210 -8.485 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -10.126 12.431 -7.541 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -11.013 11.502 -8.772 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -13.782 12.641 -8.075 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -13.460 10.912 -8.345 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -14.217 11.449 -6.827 1.00 0.00 H new ATOM 129 N ASN A 9 -13.179 8.052 -3.968 1.00 0.00 N ATOM 130 CA ASN A 9 -13.133 6.636 -3.584 1.00 0.00 C ATOM 131 C ASN A 9 -11.841 6.303 -2.845 1.00 0.00 C ATOM 132 O ASN A 9 -11.459 5.135 -2.739 1.00 0.00 O ATOM 133 CB ASN A 9 -13.285 5.716 -4.803 1.00 0.00 C ATOM 134 CG ASN A 9 -14.687 5.709 -5.387 1.00 0.00 C ATOM 135 OD1 ASN A 9 -15.428 6.685 -5.288 1.00 0.00 O ATOM 136 ND2 ASN A 9 -15.055 4.603 -6.010 1.00 0.00 N ATOM 0 H ASN A 9 -13.877 8.593 -3.457 1.00 0.00 H new ATOM 0 HA ASN A 9 -13.975 6.464 -2.913 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -12.581 6.029 -5.574 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -13.014 4.700 -4.517 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -15.982 4.539 -6.430 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -14.412 3.814 -6.071 1.00 0.00 H new ATOM 143 N GLY A 10 -11.192 7.323 -2.305 1.00 0.00 N ATOM 144 CA GLY A 10 -9.923 7.129 -1.637 1.00 0.00 C ATOM 145 C GLY A 10 -9.541 8.322 -0.791 1.00 0.00 C ATOM 146 O GLY A 10 -9.969 9.441 -1.061 1.00 0.00 O ATOM 0 H GLY A 10 -11.524 8.287 -2.318 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -9.976 6.240 -1.008 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -9.146 6.947 -2.380 1.00 0.00 H new ATOM 150 N ILE A 11 -8.738 8.075 0.235 1.00 0.00 N ATOM 151 CA ILE A 11 -8.315 9.121 1.160 1.00 0.00 C ATOM 152 C ILE A 11 -6.787 9.099 1.283 1.00 0.00 C ATOM 153 O ILE A 11 -6.163 8.041 1.112 1.00 0.00 O ATOM 154 CB ILE A 11 -8.963 8.936 2.560 1.00 0.00 C ATOM 155 CG1 ILE A 11 -10.482 8.745 2.450 1.00 0.00 C ATOM 156 CG2 ILE A 11 -8.650 10.123 3.462 1.00 0.00 C ATOM 157 CD1 ILE A 11 -11.222 9.962 1.931 1.00 0.00 C ATOM 0 H ILE A 11 -8.363 7.151 0.450 1.00 0.00 H new ATOM 0 HA ILE A 11 -8.643 10.083 0.767 1.00 0.00 H new ATOM 0 HB ILE A 11 -8.536 8.036 3.003 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -10.685 7.901 1.791 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -10.877 8.484 3.432 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -9.114 9.972 4.437 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -7.571 10.213 3.584 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -9.041 11.035 3.012 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -12.289 9.746 1.883 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -11.052 10.804 2.602 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -10.857 10.212 0.935 1.00 0.00 H new ATOM 169 N LYS A 12 -6.195 10.250 1.590 1.00 0.00 N ATOM 170 CA LYS A 12 -4.740 10.412 1.572 1.00 0.00 C ATOM 171 C LYS A 12 -4.162 10.354 2.985 1.00 0.00 C ATOM 172 O LYS A 12 -4.670 10.997 3.903 1.00 0.00 O ATOM 173 CB LYS A 12 -4.393 11.749 0.901 1.00 0.00 C ATOM 174 CG LYS A 12 -2.906 12.036 0.748 1.00 0.00 C ATOM 175 CD LYS A 12 -2.191 10.958 -0.047 1.00 0.00 C ATOM 176 CE LYS A 12 -0.985 11.518 -0.794 1.00 0.00 C ATOM 177 NZ LYS A 12 -0.159 12.426 0.050 1.00 0.00 N ATOM 0 H LYS A 12 -6.704 11.093 1.857 1.00 0.00 H new ATOM 0 HA LYS A 12 -4.298 9.593 1.005 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -4.853 11.771 -0.087 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -4.844 12.555 1.481 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -2.773 12.998 0.253 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -2.451 12.119 1.735 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -1.867 10.164 0.626 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -2.884 10.510 -0.759 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -0.366 10.693 -1.147 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -1.328 12.059 -1.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 0.771 12.562 -0.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -0.637 13.345 0.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -0.034 12.005 0.993 1.00 0.00 H new ATOM 191 N LEU A 13 -3.107 9.566 3.145 1.00 0.00 N ATOM 192 CA LEU A 13 -2.466 9.364 4.439 1.00 0.00 C ATOM 193 C LEU A 13 -0.957 9.525 4.323 1.00 0.00 C ATOM 194 O LEU A 13 -0.408 9.523 3.220 1.00 0.00 O ATOM 195 CB LEU A 13 -2.803 7.971 4.981 1.00 0.00 C ATOM 196 CG LEU A 13 -2.533 6.809 4.016 1.00 0.00 C ATOM 197 CD1 LEU A 13 -2.178 5.546 4.785 1.00 0.00 C ATOM 198 CD2 LEU A 13 -3.750 6.556 3.131 1.00 0.00 C ATOM 0 H LEU A 13 -2.671 9.049 2.382 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.842 10.118 5.131 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -2.229 7.805 5.893 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -3.857 7.953 5.260 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.688 7.082 3.383 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.990 4.733 4.083 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.284 5.723 5.383 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.005 5.275 5.441 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.541 5.729 2.453 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.608 6.306 3.755 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.972 7.453 2.552 1.00 0.00 H new ATOM 210 N GLY A 14 -0.292 9.662 5.460 1.00 0.00 N ATOM 211 CA GLY A 14 1.142 9.865 5.463 1.00 0.00 C ATOM 212 C GLY A 14 1.846 8.966 6.459 1.00 0.00 C ATOM 213 O GLY A 14 1.336 8.717 7.552 1.00 0.00 O ATOM 0 H GLY A 14 -0.722 9.636 6.385 1.00 0.00 H new ATOM 0 HA2 GLY A 14 1.536 9.676 4.464 1.00 0.00 H new ATOM 0 HA3 GLY A 14 1.359 10.907 5.700 1.00 0.00 H new ATOM 217 N VAL A 15 3.022 8.478 6.082 1.00 0.00 N ATOM 218 CA VAL A 15 3.738 7.486 6.879 1.00 0.00 C ATOM 219 C VAL A 15 5.182 7.936 7.122 1.00 0.00 C ATOM 220 O VAL A 15 5.665 8.866 6.471 1.00 0.00 O ATOM 221 CB VAL A 15 3.756 6.107 6.160 1.00 0.00 C ATOM 222 CG1 VAL A 15 4.140 4.987 7.116 1.00 0.00 C ATOM 223 CG2 VAL A 15 2.418 5.808 5.496 1.00 0.00 C ATOM 0 H VAL A 15 3.503 8.754 5.226 1.00 0.00 H new ATOM 0 HA VAL A 15 3.218 7.389 7.832 1.00 0.00 H new ATOM 0 HB VAL A 15 4.516 6.161 5.380 1.00 0.00 H new ATOM 0 HG11 VAL A 15 4.143 4.037 6.581 1.00 0.00 H new ATOM 0 HG12 VAL A 15 5.134 5.179 7.521 1.00 0.00 H new ATOM 0 HG13 VAL A 15 3.419 4.942 7.932 1.00 0.00 H new ATOM 0 HG21 VAL A 15 2.465 4.837 5.003 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.632 5.793 6.251 1.00 0.00 H new ATOM 0 HG23 VAL A 15 2.198 6.579 4.758 1.00 0.00 H new ATOM 233 N TYR A 16 5.855 7.283 8.068 1.00 0.00 N ATOM 234 CA TYR A 16 7.285 7.473 8.282 1.00 0.00 C ATOM 235 C TYR A 16 7.986 6.136 8.398 1.00 0.00 C ATOM 236 O TYR A 16 7.503 5.230 9.078 1.00 0.00 O ATOM 237 CB TYR A 16 7.578 8.271 9.547 1.00 0.00 C ATOM 238 CG TYR A 16 7.759 9.747 9.316 1.00 0.00 C ATOM 239 CD1 TYR A 16 8.955 10.230 8.810 1.00 0.00 C ATOM 240 CD2 TYR A 16 6.751 10.656 9.604 1.00 0.00 C ATOM 241 CE1 TYR A 16 9.148 11.574 8.592 1.00 0.00 C ATOM 242 CE2 TYR A 16 6.935 12.007 9.390 1.00 0.00 C ATOM 243 CZ TYR A 16 8.134 12.461 8.884 1.00 0.00 C ATOM 244 OH TYR A 16 8.319 13.807 8.666 1.00 0.00 O ATOM 0 H TYR A 16 5.425 6.611 8.704 1.00 0.00 H new ATOM 0 HA TYR A 16 7.654 8.029 7.420 1.00 0.00 H new ATOM 0 HB2 TYR A 16 6.762 8.123 10.254 1.00 0.00 H new ATOM 0 HB3 TYR A 16 8.480 7.874 10.013 1.00 0.00 H new ATOM 0 HD1 TYR A 16 9.752 9.537 8.582 1.00 0.00 H new ATOM 0 HD2 TYR A 16 5.811 10.302 10.001 1.00 0.00 H new ATOM 0 HE1 TYR A 16 10.087 11.932 8.195 1.00 0.00 H new ATOM 0 HE2 TYR A 16 6.143 12.705 9.618 1.00 0.00 H new ATOM 0 HH TYR A 16 7.508 14.294 8.922 1.00 0.00 H new ATOM 254 N ILE A 17 9.122 6.031 7.730 1.00 0.00 N ATOM 255 CA ILE A 17 9.975 4.849 7.798 1.00 0.00 C ATOM 256 C ILE A 17 11.416 5.242 7.492 1.00 0.00 C ATOM 257 O ILE A 17 11.655 6.196 6.745 1.00 0.00 O ATOM 258 CB ILE A 17 9.516 3.722 6.841 1.00 0.00 C ATOM 259 CG1 ILE A 17 9.086 4.291 5.488 1.00 0.00 C ATOM 260 CG2 ILE A 17 8.391 2.908 7.467 1.00 0.00 C ATOM 261 CD1 ILE A 17 8.628 3.235 4.502 1.00 0.00 C ATOM 0 H ILE A 17 9.483 6.765 7.121 1.00 0.00 H new ATOM 0 HA ILE A 17 9.900 4.452 8.810 1.00 0.00 H new ATOM 0 HB ILE A 17 10.364 3.059 6.672 1.00 0.00 H new ATOM 0 HG12 ILE A 17 8.277 5.005 5.644 1.00 0.00 H new ATOM 0 HG13 ILE A 17 9.920 4.843 5.054 1.00 0.00 H new ATOM 0 HG21 ILE A 17 8.084 2.122 6.778 1.00 0.00 H new ATOM 0 HG22 ILE A 17 8.740 2.459 8.397 1.00 0.00 H new ATOM 0 HG23 ILE A 17 7.543 3.560 7.675 1.00 0.00 H new ATOM 0 HD11 ILE A 17 8.339 3.712 3.566 1.00 0.00 H new ATOM 0 HD12 ILE A 17 9.442 2.534 4.316 1.00 0.00 H new ATOM 0 HD13 ILE A 17 7.774 2.698 4.915 1.00 0.00 H new ATOM 273 N PRO A 18 12.388 4.521 8.073 1.00 0.00 N ATOM 274 CA PRO A 18 13.812 4.885 8.014 1.00 0.00 C ATOM 275 C PRO A 18 14.438 4.797 6.618 1.00 0.00 C ATOM 276 O PRO A 18 13.772 4.463 5.630 1.00 0.00 O ATOM 277 CB PRO A 18 14.494 3.874 8.948 1.00 0.00 C ATOM 278 CG PRO A 18 13.394 3.231 9.723 1.00 0.00 C ATOM 279 CD PRO A 18 12.175 3.296 8.855 1.00 0.00 C ATOM 0 HA PRO A 18 13.937 5.930 8.299 1.00 0.00 H new ATOM 0 HB2 PRO A 18 15.056 3.133 8.379 1.00 0.00 H new ATOM 0 HB3 PRO A 18 15.202 4.371 9.612 1.00 0.00 H new ATOM 0 HG2 PRO A 18 13.643 2.198 9.967 1.00 0.00 H new ATOM 0 HG3 PRO A 18 13.228 3.751 10.667 1.00 0.00 H new ATOM 0 HD2 PRO A 18 12.089 2.418 8.214 1.00 0.00 H new ATOM 0 HD3 PRO A 18 11.261 3.349 9.447 1.00 0.00 H new ATOM 287 N GLN A 19 15.732 5.099 6.562 1.00 0.00 N ATOM 288 CA GLN A 19 16.495 5.120 5.317 1.00 0.00 C ATOM 289 C GLN A 19 16.424 3.784 4.584 1.00 0.00 C ATOM 290 O GLN A 19 15.940 3.719 3.453 1.00 0.00 O ATOM 291 CB GLN A 19 17.957 5.466 5.616 1.00 0.00 C ATOM 292 CG GLN A 19 18.885 5.347 4.416 1.00 0.00 C ATOM 293 CD GLN A 19 18.614 6.387 3.347 1.00 0.00 C ATOM 294 OE1 GLN A 19 19.180 7.478 3.375 1.00 0.00 O ATOM 295 NE2 GLN A 19 17.757 6.055 2.395 1.00 0.00 N ATOM 0 H GLN A 19 16.285 5.338 7.385 1.00 0.00 H new ATOM 0 HA GLN A 19 16.055 5.878 4.669 1.00 0.00 H new ATOM 0 HB2 GLN A 19 18.006 6.485 5.999 1.00 0.00 H new ATOM 0 HB3 GLN A 19 18.319 4.810 6.408 1.00 0.00 H new ATOM 0 HG2 GLN A 19 19.917 5.441 4.752 1.00 0.00 H new ATOM 0 HG3 GLN A 19 18.781 4.353 3.981 1.00 0.00 H new ATOM 0 HE21 GLN A 19 17.309 5.139 2.409 1.00 0.00 H new ATOM 0 HE22 GLN A 19 17.545 6.715 1.647 1.00 0.00 H new ATOM 304 N GLU A 20 16.905 2.727 5.234 1.00 0.00 N ATOM 305 CA GLU A 20 17.001 1.407 4.610 1.00 0.00 C ATOM 306 C GLU A 20 15.635 0.857 4.194 1.00 0.00 C ATOM 307 O GLU A 20 15.554 -0.105 3.429 1.00 0.00 O ATOM 308 CB GLU A 20 17.727 0.434 5.538 1.00 0.00 C ATOM 309 CG GLU A 20 19.143 0.887 5.862 1.00 0.00 C ATOM 310 CD GLU A 20 19.959 -0.173 6.564 1.00 0.00 C ATOM 311 OE1 GLU A 20 19.708 -0.432 7.758 1.00 0.00 O ATOM 312 OE2 GLU A 20 20.873 -0.742 5.932 1.00 0.00 O ATOM 0 H GLU A 20 17.236 2.758 6.198 1.00 0.00 H new ATOM 0 HA GLU A 20 17.582 1.520 3.694 1.00 0.00 H new ATOM 0 HB2 GLU A 20 17.161 0.329 6.464 1.00 0.00 H new ATOM 0 HB3 GLU A 20 17.761 -0.551 5.072 1.00 0.00 H new ATOM 0 HG2 GLU A 20 19.647 1.172 4.939 1.00 0.00 H new ATOM 0 HG3 GLU A 20 19.099 1.777 6.489 1.00 0.00 H new ATOM 319 N TRP A 21 14.568 1.502 4.647 1.00 0.00 N ATOM 320 CA TRP A 21 13.229 1.128 4.235 1.00 0.00 C ATOM 321 C TRP A 21 12.954 1.714 2.865 1.00 0.00 C ATOM 322 O TRP A 21 12.670 0.987 1.920 1.00 0.00 O ATOM 323 CB TRP A 21 12.192 1.652 5.226 1.00 0.00 C ATOM 324 CG TRP A 21 11.813 0.680 6.300 1.00 0.00 C ATOM 325 CD1 TRP A 21 12.595 0.213 7.316 1.00 0.00 C ATOM 326 CD2 TRP A 21 10.527 0.084 6.476 1.00 0.00 C ATOM 327 NE1 TRP A 21 11.869 -0.643 8.112 1.00 0.00 N ATOM 328 CE2 TRP A 21 10.593 -0.734 7.616 1.00 0.00 C ATOM 329 CE3 TRP A 21 9.326 0.173 5.774 1.00 0.00 C ATOM 330 CZ2 TRP A 21 9.491 -1.460 8.071 1.00 0.00 C ATOM 331 CZ3 TRP A 21 8.240 -0.545 6.223 1.00 0.00 C ATOM 332 CH2 TRP A 21 8.324 -1.349 7.361 1.00 0.00 C ATOM 0 H TRP A 21 14.607 2.285 5.299 1.00 0.00 H new ATOM 0 HA TRP A 21 13.160 0.041 4.203 1.00 0.00 H new ATOM 0 HB2 TRP A 21 12.579 2.557 5.693 1.00 0.00 H new ATOM 0 HB3 TRP A 21 11.294 1.936 4.677 1.00 0.00 H new ATOM 0 HD1 TRP A 21 13.631 0.476 7.472 1.00 0.00 H new ATOM 0 HE1 TRP A 21 12.222 -1.130 8.936 1.00 0.00 H new ATOM 0 HE3 TRP A 21 9.249 0.794 4.894 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 9.556 -2.085 8.949 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 7.306 -0.485 5.685 1.00 0.00 H new ATOM 0 HH2 TRP A 21 7.452 -1.895 7.689 1.00 0.00 H new ATOM 343 N HIS A 22 13.088 3.032 2.753 1.00 0.00 N ATOM 344 CA HIS A 22 12.910 3.712 1.472 1.00 0.00 C ATOM 345 C HIS A 22 13.902 3.176 0.454 1.00 0.00 C ATOM 346 O HIS A 22 13.583 3.033 -0.722 1.00 0.00 O ATOM 347 CB HIS A 22 13.094 5.227 1.620 1.00 0.00 C ATOM 348 CG HIS A 22 11.935 5.923 2.259 1.00 0.00 C ATOM 349 ND1 HIS A 22 11.217 6.923 1.638 1.00 0.00 N ATOM 350 CD2 HIS A 22 11.369 5.760 3.477 1.00 0.00 C ATOM 351 CE1 HIS A 22 10.261 7.341 2.444 1.00 0.00 C ATOM 352 NE2 HIS A 22 10.330 6.654 3.566 1.00 0.00 N ATOM 0 H HIS A 22 13.319 3.650 3.531 1.00 0.00 H new ATOM 0 HA HIS A 22 11.894 3.519 1.128 1.00 0.00 H new ATOM 0 HB2 HIS A 22 13.989 5.417 2.212 1.00 0.00 H new ATOM 0 HB3 HIS A 22 13.265 5.659 0.634 1.00 0.00 H new ATOM 0 HD1 HIS A 22 11.397 7.283 0.701 1.00 0.00 H new ATOM 0 HD2 HIS A 22 11.677 5.058 4.238 1.00 0.00 H new ATOM 0 HE1 HIS A 22 9.542 8.116 2.222 1.00 0.00 H new ATOM 361 N ASP A 23 15.097 2.868 0.933 1.00 0.00 N ATOM 362 CA ASP A 23 16.177 2.372 0.091 1.00 0.00 C ATOM 363 C ASP A 23 15.787 1.077 -0.626 1.00 0.00 C ATOM 364 O ASP A 23 15.810 1.013 -1.855 1.00 0.00 O ATOM 365 CB ASP A 23 17.428 2.158 0.942 1.00 0.00 C ATOM 366 CG ASP A 23 18.609 1.670 0.137 1.00 0.00 C ATOM 367 OD1 ASP A 23 19.151 2.457 -0.664 1.00 0.00 O ATOM 368 OD2 ASP A 23 19.014 0.506 0.319 1.00 0.00 O ATOM 0 H ASP A 23 15.347 2.955 1.918 1.00 0.00 H new ATOM 0 HA ASP A 23 16.382 3.117 -0.678 1.00 0.00 H new ATOM 0 HB2 ASP A 23 17.692 3.094 1.434 1.00 0.00 H new ATOM 0 HB3 ASP A 23 17.207 1.436 1.728 1.00 0.00 H new ATOM 373 N ARG A 24 15.389 0.060 0.134 1.00 0.00 N ATOM 374 CA ARG A 24 15.039 -1.232 -0.459 1.00 0.00 C ATOM 375 C ARG A 24 13.670 -1.177 -1.118 1.00 0.00 C ATOM 376 O ARG A 24 13.459 -1.789 -2.164 1.00 0.00 O ATOM 377 CB ARG A 24 15.054 -2.344 0.594 1.00 0.00 C ATOM 378 CG ARG A 24 16.430 -2.936 0.891 1.00 0.00 C ATOM 379 CD ARG A 24 17.387 -1.916 1.487 1.00 0.00 C ATOM 380 NE ARG A 24 18.306 -2.529 2.448 1.00 0.00 N ATOM 381 CZ ARG A 24 19.306 -1.883 3.046 1.00 0.00 C ATOM 382 NH1 ARG A 24 19.669 -0.675 2.636 1.00 0.00 N ATOM 383 NH2 ARG A 24 19.984 -2.477 4.021 1.00 0.00 N ATOM 0 H ARG A 24 15.301 0.101 1.149 1.00 0.00 H new ATOM 0 HA ARG A 24 15.789 -1.454 -1.218 1.00 0.00 H new ATOM 0 HB2 ARG A 24 14.637 -1.951 1.521 1.00 0.00 H new ATOM 0 HB3 ARG A 24 14.394 -3.146 0.263 1.00 0.00 H new ATOM 0 HG2 ARG A 24 16.321 -3.773 1.581 1.00 0.00 H new ATOM 0 HG3 ARG A 24 16.857 -3.335 -0.029 1.00 0.00 H new ATOM 0 HD2 ARG A 24 17.959 -1.444 0.688 1.00 0.00 H new ATOM 0 HD3 ARG A 24 16.818 -1.128 1.980 1.00 0.00 H new ATOM 0 HE ARG A 24 18.172 -3.514 2.674 1.00 0.00 H new ATOM 0 HH11 ARG A 24 19.181 -0.233 1.857 1.00 0.00 H new ATOM 0 HH12 ARG A 24 20.436 -0.188 3.100 1.00 0.00 H new ATOM 0 HH21 ARG A 24 19.738 -3.424 4.309 1.00 0.00 H new ATOM 0 HH22 ARG A 24 20.750 -1.986 4.482 1.00 0.00 H new ATOM 397 N LEU A 25 12.752 -0.425 -0.525 1.00 0.00 N ATOM 398 CA LEU A 25 11.408 -0.310 -1.072 1.00 0.00 C ATOM 399 C LEU A 25 11.440 0.323 -2.457 1.00 0.00 C ATOM 400 O LEU A 25 10.884 -0.224 -3.407 1.00 0.00 O ATOM 401 CB LEU A 25 10.511 0.509 -0.140 1.00 0.00 C ATOM 402 CG LEU A 25 10.059 -0.214 1.134 1.00 0.00 C ATOM 403 CD1 LEU A 25 9.096 0.660 1.925 1.00 0.00 C ATOM 404 CD2 LEU A 25 9.420 -1.552 0.794 1.00 0.00 C ATOM 0 H LEU A 25 12.912 0.110 0.328 1.00 0.00 H new ATOM 0 HA LEU A 25 10.995 -1.315 -1.159 1.00 0.00 H new ATOM 0 HB2 LEU A 25 11.044 1.416 0.146 1.00 0.00 H new ATOM 0 HB3 LEU A 25 9.626 0.820 -0.695 1.00 0.00 H new ATOM 0 HG LEU A 25 10.936 -0.406 1.753 1.00 0.00 H new ATOM 0 HD11 LEU A 25 8.784 0.133 2.827 1.00 0.00 H new ATOM 0 HD12 LEU A 25 9.592 1.590 2.201 1.00 0.00 H new ATOM 0 HD13 LEU A 25 8.221 0.883 1.314 1.00 0.00 H new ATOM 0 HD21 LEU A 25 9.106 -2.049 1.712 1.00 0.00 H new ATOM 0 HD22 LEU A 25 8.552 -1.389 0.155 1.00 0.00 H new ATOM 0 HD23 LEU A 25 10.143 -2.178 0.271 1.00 0.00 H new ATOM 416 N MET A 26 12.098 1.471 -2.573 1.00 0.00 N ATOM 417 CA MET A 26 12.188 2.165 -3.854 1.00 0.00 C ATOM 418 C MET A 26 13.022 1.382 -4.861 1.00 0.00 C ATOM 419 O MET A 26 12.806 1.497 -6.062 1.00 0.00 O ATOM 420 CB MET A 26 12.739 3.580 -3.685 1.00 0.00 C ATOM 421 CG MET A 26 11.827 4.484 -2.871 1.00 0.00 C ATOM 422 SD MET A 26 12.396 6.195 -2.818 1.00 0.00 S ATOM 423 CE MET A 26 14.040 5.992 -2.137 1.00 0.00 C ATOM 0 H MET A 26 12.574 1.939 -1.802 1.00 0.00 H new ATOM 0 HA MET A 26 11.174 2.241 -4.246 1.00 0.00 H new ATOM 0 HB2 MET A 26 13.714 3.528 -3.201 1.00 0.00 H new ATOM 0 HB3 MET A 26 12.895 4.022 -4.669 1.00 0.00 H new ATOM 0 HG2 MET A 26 10.823 4.454 -3.294 1.00 0.00 H new ATOM 0 HG3 MET A 26 11.756 4.099 -1.854 1.00 0.00 H new ATOM 0 HE1 MET A 26 14.344 6.913 -1.639 1.00 0.00 H new ATOM 0 HE2 MET A 26 14.037 5.174 -1.417 1.00 0.00 H new ATOM 0 HE3 MET A 26 14.741 5.765 -2.940 1.00 0.00 H new ATOM 433 N GLU A 27 13.971 0.587 -4.378 1.00 0.00 N ATOM 434 CA GLU A 27 14.777 -0.245 -5.264 1.00 0.00 C ATOM 435 C GLU A 27 13.899 -1.304 -5.924 1.00 0.00 C ATOM 436 O GLU A 27 13.921 -1.476 -7.146 1.00 0.00 O ATOM 437 CB GLU A 27 15.933 -0.894 -4.499 1.00 0.00 C ATOM 438 CG GLU A 27 16.846 -1.727 -5.381 1.00 0.00 C ATOM 439 CD GLU A 27 18.093 -2.187 -4.660 1.00 0.00 C ATOM 440 OE1 GLU A 27 18.052 -3.249 -4.004 1.00 0.00 O ATOM 441 OE2 GLU A 27 19.126 -1.490 -4.756 1.00 0.00 O ATOM 0 H GLU A 27 14.200 0.501 -3.388 1.00 0.00 H new ATOM 0 HA GLU A 27 15.207 0.386 -6.042 1.00 0.00 H new ATOM 0 HB2 GLU A 27 16.521 -0.115 -4.013 1.00 0.00 H new ATOM 0 HB3 GLU A 27 15.527 -1.526 -3.709 1.00 0.00 H new ATOM 0 HG2 GLU A 27 16.299 -2.597 -5.744 1.00 0.00 H new ATOM 0 HG3 GLU A 27 17.132 -1.143 -6.256 1.00 0.00 H new ATOM 448 N ILE A 28 13.099 -1.989 -5.114 1.00 0.00 N ATOM 449 CA ILE A 28 12.118 -2.935 -5.641 1.00 0.00 C ATOM 450 C ILE A 28 11.130 -2.195 -6.543 1.00 0.00 C ATOM 451 O ILE A 28 10.675 -2.715 -7.568 1.00 0.00 O ATOM 452 CB ILE A 28 11.344 -3.641 -4.504 1.00 0.00 C ATOM 453 CG1 ILE A 28 12.311 -4.405 -3.592 1.00 0.00 C ATOM 454 CG2 ILE A 28 10.287 -4.583 -5.074 1.00 0.00 C ATOM 455 CD1 ILE A 28 11.641 -5.044 -2.394 1.00 0.00 C ATOM 0 H ILE A 28 13.109 -1.909 -4.097 1.00 0.00 H new ATOM 0 HA ILE A 28 12.653 -3.695 -6.211 1.00 0.00 H new ATOM 0 HB ILE A 28 10.837 -2.880 -3.910 1.00 0.00 H new ATOM 0 HG12 ILE A 28 12.810 -5.180 -4.174 1.00 0.00 H new ATOM 0 HG13 ILE A 28 13.084 -3.721 -3.243 1.00 0.00 H new ATOM 0 HG21 ILE A 28 9.754 -5.069 -4.257 1.00 0.00 H new ATOM 0 HG22 ILE A 28 9.581 -4.014 -5.680 1.00 0.00 H new ATOM 0 HG23 ILE A 28 10.769 -5.339 -5.693 1.00 0.00 H new ATOM 0 HD11 ILE A 28 12.387 -5.566 -1.795 1.00 0.00 H new ATOM 0 HD12 ILE A 28 11.166 -4.272 -1.789 1.00 0.00 H new ATOM 0 HD13 ILE A 28 10.887 -5.754 -2.734 1.00 0.00 H new ATOM 467 N ALA A 29 10.831 -0.962 -6.153 1.00 0.00 N ATOM 468 CA ALA A 29 9.927 -0.096 -6.899 1.00 0.00 C ATOM 469 C ALA A 29 10.470 0.218 -8.295 1.00 0.00 C ATOM 470 O ALA A 29 9.706 0.525 -9.209 1.00 0.00 O ATOM 471 CB ALA A 29 9.685 1.185 -6.120 1.00 0.00 C ATOM 0 H ALA A 29 11.210 -0.534 -5.308 1.00 0.00 H new ATOM 0 HA ALA A 29 8.982 -0.623 -7.030 1.00 0.00 H new ATOM 0 HB1 ALA A 29 9.009 1.830 -6.681 1.00 0.00 H new ATOM 0 HB2 ALA A 29 9.240 0.945 -5.154 1.00 0.00 H new ATOM 0 HB3 ALA A 29 10.633 1.701 -5.965 1.00 0.00 H new ATOM 477 N LYS A 30 11.784 0.126 -8.461 1.00 0.00 N ATOM 478 CA LYS A 30 12.405 0.373 -9.757 1.00 0.00 C ATOM 479 C LYS A 30 12.245 -0.858 -10.634 1.00 0.00 C ATOM 480 O LYS A 30 11.953 -0.761 -11.825 1.00 0.00 O ATOM 481 CB LYS A 30 13.899 0.681 -9.600 1.00 0.00 C ATOM 482 CG LYS A 30 14.210 1.832 -8.657 1.00 0.00 C ATOM 483 CD LYS A 30 15.705 1.948 -8.403 1.00 0.00 C ATOM 484 CE LYS A 30 16.021 2.964 -7.314 1.00 0.00 C ATOM 485 NZ LYS A 30 17.480 3.044 -7.027 1.00 0.00 N ATOM 0 H LYS A 30 12.438 -0.117 -7.717 1.00 0.00 H new ATOM 0 HA LYS A 30 11.916 1.233 -10.214 1.00 0.00 H new ATOM 0 HB2 LYS A 30 14.406 -0.214 -9.240 1.00 0.00 H new ATOM 0 HB3 LYS A 30 14.315 0.909 -10.581 1.00 0.00 H new ATOM 0 HG2 LYS A 30 13.837 2.764 -9.082 1.00 0.00 H new ATOM 0 HG3 LYS A 30 13.689 1.682 -7.712 1.00 0.00 H new ATOM 0 HD2 LYS A 30 16.101 0.974 -8.116 1.00 0.00 H new ATOM 0 HD3 LYS A 30 16.208 2.237 -9.326 1.00 0.00 H new ATOM 0 HE2 LYS A 30 15.658 3.946 -7.619 1.00 0.00 H new ATOM 0 HE3 LYS A 30 15.487 2.695 -6.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 17.649 3.748 -6.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 17.823 2.114 -6.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 17.988 3.326 -7.889 1.00 0.00 H new ATOM 499 N GLU A 31 12.427 -2.012 -10.013 1.00 0.00 N ATOM 500 CA GLU A 31 12.338 -3.294 -10.700 1.00 0.00 C ATOM 501 C GLU A 31 10.939 -3.530 -11.283 1.00 0.00 C ATOM 502 O GLU A 31 10.784 -3.736 -12.487 1.00 0.00 O ATOM 503 CB GLU A 31 12.710 -4.421 -9.729 1.00 0.00 C ATOM 504 CG GLU A 31 12.642 -5.813 -10.337 1.00 0.00 C ATOM 505 CD GLU A 31 13.504 -5.949 -11.571 1.00 0.00 C ATOM 506 OE1 GLU A 31 14.747 -5.925 -11.442 1.00 0.00 O ATOM 507 OE2 GLU A 31 12.947 -6.078 -12.677 1.00 0.00 O ATOM 0 H GLU A 31 12.641 -2.088 -9.019 1.00 0.00 H new ATOM 0 HA GLU A 31 13.039 -3.284 -11.535 1.00 0.00 H new ATOM 0 HB2 GLU A 31 13.720 -4.247 -9.358 1.00 0.00 H new ATOM 0 HB3 GLU A 31 12.043 -4.379 -8.868 1.00 0.00 H new ATOM 0 HG2 GLU A 31 12.958 -6.546 -9.595 1.00 0.00 H new ATOM 0 HG3 GLU A 31 11.608 -6.044 -10.593 1.00 0.00 H new ATOM 514 N LYS A 32 9.923 -3.480 -10.431 1.00 0.00 N ATOM 515 CA LYS A 32 8.564 -3.835 -10.845 1.00 0.00 C ATOM 516 C LYS A 32 7.751 -2.623 -11.301 1.00 0.00 C ATOM 517 O LYS A 32 6.595 -2.762 -11.702 1.00 0.00 O ATOM 518 CB LYS A 32 7.826 -4.575 -9.723 1.00 0.00 C ATOM 519 CG LYS A 32 7.796 -6.089 -9.907 1.00 0.00 C ATOM 520 CD LYS A 32 9.194 -6.687 -9.943 1.00 0.00 C ATOM 521 CE LYS A 32 9.170 -8.152 -10.360 1.00 0.00 C ATOM 522 NZ LYS A 32 8.466 -9.017 -9.375 1.00 0.00 N ATOM 0 H LYS A 32 10.009 -3.199 -9.454 1.00 0.00 H new ATOM 0 HA LYS A 32 8.666 -4.498 -11.704 1.00 0.00 H new ATOM 0 HB2 LYS A 32 8.303 -4.342 -8.771 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.803 -4.204 -9.666 1.00 0.00 H new ATOM 0 HG2 LYS A 32 7.229 -6.542 -9.094 1.00 0.00 H new ATOM 0 HG3 LYS A 32 7.274 -6.331 -10.833 1.00 0.00 H new ATOM 0 HD2 LYS A 32 9.814 -6.121 -10.638 1.00 0.00 H new ATOM 0 HD3 LYS A 32 9.654 -6.596 -8.959 1.00 0.00 H new ATOM 0 HE2 LYS A 32 8.682 -8.242 -11.330 1.00 0.00 H new ATOM 0 HE3 LYS A 32 10.193 -8.507 -10.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 8.479 -10.003 -9.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 8.945 -8.956 -8.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 7.481 -8.698 -9.275 1.00 0.00 H new ATOM 536 N ASN A 33 8.362 -1.442 -11.216 1.00 0.00 N ATOM 537 CA ASN A 33 7.713 -0.179 -11.593 1.00 0.00 C ATOM 538 C ASN A 33 6.536 0.118 -10.667 1.00 0.00 C ATOM 539 O ASN A 33 5.367 0.097 -11.062 1.00 0.00 O ATOM 540 CB ASN A 33 7.267 -0.187 -13.063 1.00 0.00 C ATOM 541 CG ASN A 33 6.606 1.116 -13.482 1.00 0.00 C ATOM 542 OD1 ASN A 33 6.858 2.175 -12.908 1.00 0.00 O ATOM 543 ND2 ASN A 33 5.768 1.049 -14.501 1.00 0.00 N ATOM 0 H ASN A 33 9.320 -1.330 -10.885 1.00 0.00 H new ATOM 0 HA ASN A 33 8.449 0.617 -11.482 1.00 0.00 H new ATOM 0 HB2 ASN A 33 8.132 -0.372 -13.700 1.00 0.00 H new ATOM 0 HB3 ASN A 33 6.571 -1.011 -13.223 1.00 0.00 H new ATOM 0 HD21 ASN A 33 5.305 1.894 -14.837 1.00 0.00 H new ATOM 0 HD22 ASN A 33 5.584 0.153 -14.952 1.00 0.00 H new ATOM 550 N LEU A 34 6.877 0.388 -9.424 1.00 0.00 N ATOM 551 CA LEU A 34 5.912 0.703 -8.385 1.00 0.00 C ATOM 552 C LEU A 34 6.414 1.913 -7.615 1.00 0.00 C ATOM 553 O LEU A 34 7.557 2.322 -7.789 1.00 0.00 O ATOM 554 CB LEU A 34 5.753 -0.486 -7.428 1.00 0.00 C ATOM 555 CG LEU A 34 5.324 -1.806 -8.076 1.00 0.00 C ATOM 556 CD1 LEU A 34 5.394 -2.937 -7.068 1.00 0.00 C ATOM 557 CD2 LEU A 34 3.919 -1.699 -8.645 1.00 0.00 C ATOM 0 H LEU A 34 7.844 0.396 -9.100 1.00 0.00 H new ATOM 0 HA LEU A 34 4.943 0.915 -8.836 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.701 -0.645 -6.915 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.019 -0.221 -6.667 1.00 0.00 H new ATOM 0 HG LEU A 34 6.011 -2.020 -8.895 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.086 -3.868 -7.544 1.00 0.00 H new ATOM 0 HD12 LEU A 34 6.416 -3.037 -6.703 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.730 -2.720 -6.231 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.637 -2.649 -9.100 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.220 -1.458 -7.844 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.891 -0.913 -9.400 1.00 0.00 H new ATOM 569 N THR A 35 5.569 2.515 -6.809 1.00 0.00 N ATOM 570 CA THR A 35 6.035 3.526 -5.884 1.00 0.00 C ATOM 571 C THR A 35 6.081 2.932 -4.490 1.00 0.00 C ATOM 572 O THR A 35 5.507 1.867 -4.258 1.00 0.00 O ATOM 573 CB THR A 35 5.144 4.789 -5.884 1.00 0.00 C ATOM 574 OG1 THR A 35 3.812 4.454 -5.476 1.00 0.00 O ATOM 575 CG2 THR A 35 5.110 5.434 -7.262 1.00 0.00 C ATOM 0 H THR A 35 4.567 2.326 -6.774 1.00 0.00 H new ATOM 0 HA THR A 35 7.029 3.839 -6.205 1.00 0.00 H new ATOM 0 HB THR A 35 5.571 5.502 -5.178 1.00 0.00 H new ATOM 0 HG1 THR A 35 3.459 3.749 -6.058 1.00 0.00 H new ATOM 0 HG21 THR A 35 4.476 6.320 -7.233 1.00 0.00 H new ATOM 0 HG22 THR A 35 6.120 5.720 -7.555 1.00 0.00 H new ATOM 0 HG23 THR A 35 4.709 4.725 -7.986 1.00 0.00 H new ATOM 583 N LEU A 36 6.770 3.581 -3.571 1.00 0.00 N ATOM 584 CA LEU A 36 6.825 3.091 -2.201 1.00 0.00 C ATOM 585 C LEU A 36 5.411 3.007 -1.626 1.00 0.00 C ATOM 586 O LEU A 36 5.077 2.079 -0.884 1.00 0.00 O ATOM 587 CB LEU A 36 7.727 3.981 -1.330 1.00 0.00 C ATOM 588 CG LEU A 36 7.184 5.370 -0.964 1.00 0.00 C ATOM 589 CD1 LEU A 36 8.108 6.028 0.041 1.00 0.00 C ATOM 590 CD2 LEU A 36 7.033 6.257 -2.194 1.00 0.00 C ATOM 0 H LEU A 36 7.295 4.439 -3.742 1.00 0.00 H new ATOM 0 HA LEU A 36 7.262 2.092 -2.203 1.00 0.00 H new ATOM 0 HB2 LEU A 36 7.941 3.446 -0.405 1.00 0.00 H new ATOM 0 HB3 LEU A 36 8.676 4.113 -1.849 1.00 0.00 H new ATOM 0 HG LEU A 36 6.194 5.242 -0.526 1.00 0.00 H new ATOM 0 HD11 LEU A 36 7.721 7.014 0.300 1.00 0.00 H new ATOM 0 HD12 LEU A 36 8.165 5.413 0.939 1.00 0.00 H new ATOM 0 HD13 LEU A 36 9.103 6.131 -0.392 1.00 0.00 H new ATOM 0 HD21 LEU A 36 6.646 7.231 -1.895 1.00 0.00 H new ATOM 0 HD22 LEU A 36 8.004 6.383 -2.673 1.00 0.00 H new ATOM 0 HD23 LEU A 36 6.340 5.792 -2.895 1.00 0.00 H new ATOM 602 N SER A 37 4.582 3.970 -2.009 1.00 0.00 N ATOM 603 CA SER A 37 3.179 3.991 -1.640 1.00 0.00 C ATOM 604 C SER A 37 2.465 2.733 -2.141 1.00 0.00 C ATOM 605 O SER A 37 1.649 2.144 -1.427 1.00 0.00 O ATOM 606 CB SER A 37 2.527 5.247 -2.218 1.00 0.00 C ATOM 607 OG SER A 37 3.322 6.389 -1.943 1.00 0.00 O ATOM 0 H SER A 37 4.869 4.760 -2.587 1.00 0.00 H new ATOM 0 HA SER A 37 3.095 4.008 -0.553 1.00 0.00 H new ATOM 0 HB2 SER A 37 2.400 5.136 -3.295 1.00 0.00 H new ATOM 0 HB3 SER A 37 1.532 5.377 -1.791 1.00 0.00 H new ATOM 0 HG SER A 37 2.820 7.007 -1.371 1.00 0.00 H new ATOM 613 N ASP A 38 2.807 2.303 -3.359 1.00 0.00 N ATOM 614 CA ASP A 38 2.221 1.094 -3.939 1.00 0.00 C ATOM 615 C ASP A 38 2.563 -0.113 -3.091 1.00 0.00 C ATOM 616 O ASP A 38 1.709 -0.948 -2.820 1.00 0.00 O ATOM 617 CB ASP A 38 2.721 0.837 -5.366 1.00 0.00 C ATOM 618 CG ASP A 38 2.096 1.743 -6.402 1.00 0.00 C ATOM 619 OD1 ASP A 38 0.900 1.566 -6.715 1.00 0.00 O ATOM 620 OD2 ASP A 38 2.803 2.622 -6.930 1.00 0.00 O ATOM 0 H ASP A 38 3.484 2.773 -3.960 1.00 0.00 H new ATOM 0 HA ASP A 38 1.143 1.251 -3.968 1.00 0.00 H new ATOM 0 HB2 ASP A 38 3.803 0.964 -5.391 1.00 0.00 H new ATOM 0 HB3 ASP A 38 2.516 -0.200 -5.632 1.00 0.00 H new ATOM 625 N VAL A 39 3.809 -0.176 -2.651 1.00 0.00 N ATOM 626 CA VAL A 39 4.295 -1.320 -1.893 1.00 0.00 C ATOM 627 C VAL A 39 3.538 -1.470 -0.575 1.00 0.00 C ATOM 628 O VAL A 39 3.213 -2.579 -0.169 1.00 0.00 O ATOM 629 CB VAL A 39 5.807 -1.204 -1.600 1.00 0.00 C ATOM 630 CG1 VAL A 39 6.314 -2.431 -0.859 1.00 0.00 C ATOM 631 CG2 VAL A 39 6.590 -0.997 -2.889 1.00 0.00 C ATOM 0 H VAL A 39 4.505 0.553 -2.806 1.00 0.00 H new ATOM 0 HA VAL A 39 4.122 -2.203 -2.509 1.00 0.00 H new ATOM 0 HB VAL A 39 5.960 -0.335 -0.960 1.00 0.00 H new ATOM 0 HG11 VAL A 39 7.381 -2.324 -0.665 1.00 0.00 H new ATOM 0 HG12 VAL A 39 5.782 -2.531 0.087 1.00 0.00 H new ATOM 0 HG13 VAL A 39 6.143 -3.320 -1.467 1.00 0.00 H new ATOM 0 HG21 VAL A 39 7.653 -0.918 -2.660 1.00 0.00 H new ATOM 0 HG22 VAL A 39 6.424 -1.844 -3.555 1.00 0.00 H new ATOM 0 HG23 VAL A 39 6.254 -0.081 -3.376 1.00 0.00 H new ATOM 641 N CYS A 40 3.239 -0.351 0.074 1.00 0.00 N ATOM 642 CA CYS A 40 2.563 -0.384 1.369 1.00 0.00 C ATOM 643 C CYS A 40 1.120 -0.883 1.231 1.00 0.00 C ATOM 644 O CYS A 40 0.716 -1.832 1.897 1.00 0.00 O ATOM 645 CB CYS A 40 2.588 1.005 2.028 1.00 0.00 C ATOM 646 SG CYS A 40 4.201 1.822 1.993 1.00 0.00 S ATOM 0 H CYS A 40 3.451 0.585 -0.271 1.00 0.00 H new ATOM 0 HA CYS A 40 3.102 -1.084 2.007 1.00 0.00 H new ATOM 0 HB2 CYS A 40 1.860 1.644 1.528 1.00 0.00 H new ATOM 0 HB3 CYS A 40 2.267 0.907 3.065 1.00 0.00 H new ATOM 0 HG CYS A 40 4.571 1.999 0.759 1.00 0.00 H new ATOM 652 N ARG A 41 0.333 -0.214 0.403 1.00 0.00 N ATOM 653 CA ARG A 41 -1.028 -0.644 0.121 1.00 0.00 C ATOM 654 C ARG A 41 -1.085 -2.069 -0.451 1.00 0.00 C ATOM 655 O ARG A 41 -2.009 -2.822 -0.144 1.00 0.00 O ATOM 656 CB ARG A 41 -1.711 0.372 -0.806 1.00 0.00 C ATOM 657 CG ARG A 41 -1.036 0.601 -2.145 1.00 0.00 C ATOM 658 CD ARG A 41 -1.598 -0.308 -3.222 1.00 0.00 C ATOM 659 NE ARG A 41 -1.221 0.156 -4.558 1.00 0.00 N ATOM 660 CZ ARG A 41 -2.023 0.135 -5.626 1.00 0.00 C ATOM 661 NH1 ARG A 41 -3.235 -0.416 -5.564 1.00 0.00 N ATOM 662 NH2 ARG A 41 -1.606 0.663 -6.770 1.00 0.00 N ATOM 0 H ARG A 41 0.616 0.634 -0.088 1.00 0.00 H new ATOM 0 HA ARG A 41 -1.575 -0.680 1.063 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -2.733 0.040 -0.988 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -1.774 1.327 -0.284 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -1.165 1.641 -2.444 1.00 0.00 H new ATOM 0 HG3 ARG A 41 0.036 0.428 -2.046 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -1.233 -1.324 -3.071 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -2.684 -0.344 -3.140 1.00 0.00 H new ATOM 0 HE ARG A 41 -0.277 0.522 -4.683 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -3.563 -0.830 -4.691 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -3.835 -0.423 -6.389 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -0.678 1.082 -6.830 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -2.214 0.650 -7.589 1.00 0.00 H new ATOM 676 N LEU A 42 -0.106 -2.455 -1.263 1.00 0.00 N ATOM 677 CA LEU A 42 -0.047 -3.832 -1.753 1.00 0.00 C ATOM 678 C LEU A 42 0.345 -4.777 -0.622 1.00 0.00 C ATOM 679 O LEU A 42 0.030 -5.967 -0.647 1.00 0.00 O ATOM 680 CB LEU A 42 0.934 -3.965 -2.921 1.00 0.00 C ATOM 681 CG LEU A 42 0.521 -3.244 -4.209 1.00 0.00 C ATOM 682 CD1 LEU A 42 1.590 -3.403 -5.278 1.00 0.00 C ATOM 683 CD2 LEU A 42 -0.814 -3.770 -4.712 1.00 0.00 C ATOM 0 H LEU A 42 0.645 -1.849 -1.592 1.00 0.00 H new ATOM 0 HA LEU A 42 -1.038 -4.104 -2.116 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.904 -3.582 -2.605 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.067 -5.024 -3.143 1.00 0.00 H new ATOM 0 HG LEU A 42 0.412 -2.183 -3.986 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.278 -2.884 -6.184 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.528 -2.978 -4.921 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.732 -4.461 -5.496 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.090 -3.246 -5.627 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.731 -4.837 -4.916 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.579 -3.604 -3.954 1.00 0.00 H new ATOM 695 N ALA A 43 1.011 -4.226 0.381 1.00 0.00 N ATOM 696 CA ALA A 43 1.443 -5.002 1.525 1.00 0.00 C ATOM 697 C ALA A 43 0.250 -5.408 2.379 1.00 0.00 C ATOM 698 O ALA A 43 0.114 -6.570 2.761 1.00 0.00 O ATOM 699 CB ALA A 43 2.448 -4.223 2.348 1.00 0.00 C ATOM 0 H ALA A 43 1.263 -3.239 0.422 1.00 0.00 H new ATOM 0 HA ALA A 43 1.927 -5.908 1.161 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.761 -4.822 3.203 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.317 -3.987 1.733 1.00 0.00 H new ATOM 0 HB3 ALA A 43 1.991 -3.299 2.701 1.00 0.00 H new ATOM 705 N ILE A 44 -0.634 -4.448 2.660 1.00 0.00 N ATOM 706 CA ILE A 44 -1.833 -4.735 3.437 1.00 0.00 C ATOM 707 C ILE A 44 -2.783 -5.608 2.643 1.00 0.00 C ATOM 708 O ILE A 44 -3.593 -6.332 3.214 1.00 0.00 O ATOM 709 CB ILE A 44 -2.576 -3.467 3.925 1.00 0.00 C ATOM 710 CG1 ILE A 44 -2.605 -2.383 2.845 1.00 0.00 C ATOM 711 CG2 ILE A 44 -1.948 -2.938 5.202 1.00 0.00 C ATOM 712 CD1 ILE A 44 -3.270 -1.098 3.302 1.00 0.00 C ATOM 0 H ILE A 44 -0.541 -3.477 2.363 1.00 0.00 H new ATOM 0 HA ILE A 44 -1.492 -5.263 4.328 1.00 0.00 H new ATOM 0 HB ILE A 44 -3.608 -3.748 4.137 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -1.584 -2.164 2.532 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -3.131 -2.765 1.970 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -2.484 -2.047 5.529 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -2.005 -3.701 5.978 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -0.904 -2.686 5.017 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -3.257 -0.372 2.489 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -4.302 -1.304 3.588 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -2.730 -0.693 4.158 1.00 0.00 H new ATOM 724 N LYS A 45 -2.688 -5.544 1.322 1.00 0.00 N ATOM 725 CA LYS A 45 -3.481 -6.414 0.478 1.00 0.00 C ATOM 726 C LYS A 45 -3.142 -7.881 0.766 1.00 0.00 C ATOM 727 O LYS A 45 -4.036 -8.703 0.979 1.00 0.00 O ATOM 728 CB LYS A 45 -3.265 -6.104 -1.004 1.00 0.00 C ATOM 729 CG LYS A 45 -4.301 -6.753 -1.907 1.00 0.00 C ATOM 730 CD LYS A 45 -5.659 -6.076 -1.768 1.00 0.00 C ATOM 731 CE LYS A 45 -6.769 -6.871 -2.443 1.00 0.00 C ATOM 732 NZ LYS A 45 -6.398 -7.295 -3.818 1.00 0.00 N ATOM 0 H LYS A 45 -2.074 -4.903 0.819 1.00 0.00 H new ATOM 0 HA LYS A 45 -4.532 -6.237 0.707 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -3.290 -5.024 -1.150 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -2.272 -6.443 -1.299 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -3.969 -6.697 -2.944 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -4.392 -7.810 -1.658 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -5.895 -5.951 -0.711 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -5.612 -5.078 -2.204 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -7.000 -7.751 -1.843 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -7.675 -6.266 -2.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -7.242 -7.650 -4.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -6.009 -6.483 -4.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -5.683 -8.049 -3.768 1.00 0.00 H new ATOM 746 N GLU A 46 -1.846 -8.196 0.794 1.00 0.00 N ATOM 747 CA GLU A 46 -1.393 -9.554 1.080 1.00 0.00 C ATOM 748 C GLU A 46 -1.576 -9.855 2.563 1.00 0.00 C ATOM 749 O GLU A 46 -1.723 -11.011 2.972 1.00 0.00 O ATOM 750 CB GLU A 46 0.073 -9.737 0.670 1.00 0.00 C ATOM 751 CG GLU A 46 0.579 -11.161 0.841 1.00 0.00 C ATOM 752 CD GLU A 46 2.003 -11.348 0.356 1.00 0.00 C ATOM 753 OE1 GLU A 46 2.940 -11.142 1.152 1.00 0.00 O ATOM 754 OE2 GLU A 46 2.189 -11.716 -0.821 1.00 0.00 O ATOM 0 H GLU A 46 -1.094 -7.529 0.622 1.00 0.00 H new ATOM 0 HA GLU A 46 -1.993 -10.254 0.498 1.00 0.00 H new ATOM 0 HB2 GLU A 46 0.190 -9.441 -0.373 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.694 -9.066 1.263 1.00 0.00 H new ATOM 0 HG2 GLU A 46 0.521 -11.437 1.894 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -0.076 -11.841 0.297 1.00 0.00 H new ATOM 761 N TYR A 47 -1.579 -8.797 3.360 1.00 0.00 N ATOM 762 CA TYR A 47 -1.851 -8.907 4.782 1.00 0.00 C ATOM 763 C TYR A 47 -3.271 -9.430 4.983 1.00 0.00 C ATOM 764 O TYR A 47 -3.506 -10.360 5.758 1.00 0.00 O ATOM 765 CB TYR A 47 -1.677 -7.537 5.449 1.00 0.00 C ATOM 766 CG TYR A 47 -1.817 -7.528 6.961 1.00 0.00 C ATOM 767 CD1 TYR A 47 -0.739 -7.834 7.781 1.00 0.00 C ATOM 768 CD2 TYR A 47 -3.021 -7.187 7.564 1.00 0.00 C ATOM 769 CE1 TYR A 47 -0.858 -7.807 9.157 1.00 0.00 C ATOM 770 CE2 TYR A 47 -3.147 -7.154 8.943 1.00 0.00 C ATOM 771 CZ TYR A 47 -2.061 -7.463 9.733 1.00 0.00 C ATOM 772 OH TYR A 47 -2.179 -7.433 11.107 1.00 0.00 O ATOM 0 H TYR A 47 -1.394 -7.846 3.041 1.00 0.00 H new ATOM 0 HA TYR A 47 -1.150 -9.604 5.241 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -0.693 -7.148 5.190 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -2.412 -6.851 5.029 1.00 0.00 H new ATOM 0 HD1 TYR A 47 0.209 -8.098 7.335 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -3.873 -6.943 6.947 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -0.011 -8.055 9.779 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -4.090 -6.888 9.396 1.00 0.00 H new ATOM 0 HH TYR A 47 -3.091 -7.171 11.351 1.00 0.00 H new ATOM 782 N LEU A 48 -4.210 -8.834 4.256 1.00 0.00 N ATOM 783 CA LEU A 48 -5.598 -9.283 4.261 1.00 0.00 C ATOM 784 C LEU A 48 -5.716 -10.654 3.609 1.00 0.00 C ATOM 785 O LEU A 48 -6.487 -11.498 4.054 1.00 0.00 O ATOM 786 CB LEU A 48 -6.491 -8.283 3.519 1.00 0.00 C ATOM 787 CG LEU A 48 -6.472 -6.853 4.065 1.00 0.00 C ATOM 788 CD1 LEU A 48 -7.390 -5.958 3.248 1.00 0.00 C ATOM 789 CD2 LEU A 48 -6.875 -6.829 5.530 1.00 0.00 C ATOM 0 H LEU A 48 -4.033 -8.032 3.651 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.928 -9.351 5.298 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.187 -8.258 2.472 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -7.517 -8.650 3.545 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.454 -6.472 3.984 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -7.364 -4.945 3.651 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -7.056 -5.945 2.210 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -8.409 -6.341 3.296 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -6.854 -5.803 5.896 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -7.882 -7.232 5.637 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -6.178 -7.435 6.109 1.00 0.00 H new ATOM 801 N ASP A 49 -4.935 -10.862 2.560 1.00 0.00 N ATOM 802 CA ASP A 49 -4.955 -12.107 1.794 1.00 0.00 C ATOM 803 C ASP A 49 -4.593 -13.309 2.663 1.00 0.00 C ATOM 804 O ASP A 49 -5.186 -14.380 2.541 1.00 0.00 O ATOM 805 CB ASP A 49 -3.979 -11.997 0.622 1.00 0.00 C ATOM 806 CG ASP A 49 -3.985 -13.220 -0.273 1.00 0.00 C ATOM 807 OD1 ASP A 49 -3.222 -14.166 -0.001 1.00 0.00 O ATOM 808 OD2 ASP A 49 -4.745 -13.229 -1.263 1.00 0.00 O ATOM 0 H ASP A 49 -4.267 -10.174 2.212 1.00 0.00 H new ATOM 0 HA ASP A 49 -5.968 -12.262 1.422 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -4.231 -11.118 0.028 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -2.972 -11.842 1.009 1.00 0.00 H new ATOM 813 N ASN A 50 -3.621 -13.123 3.543 1.00 0.00 N ATOM 814 CA ASN A 50 -3.135 -14.212 4.384 1.00 0.00 C ATOM 815 C ASN A 50 -4.032 -14.463 5.592 1.00 0.00 C ATOM 816 O ASN A 50 -4.258 -15.612 5.972 1.00 0.00 O ATOM 817 CB ASN A 50 -1.707 -13.932 4.859 1.00 0.00 C ATOM 818 CG ASN A 50 -0.662 -14.418 3.878 1.00 0.00 C ATOM 819 OD1 ASN A 50 -0.182 -15.547 3.978 1.00 0.00 O ATOM 820 ND2 ASN A 50 -0.302 -13.572 2.929 1.00 0.00 N ATOM 0 H ASN A 50 -3.152 -12.230 3.695 1.00 0.00 H new ATOM 0 HA ASN A 50 -3.149 -15.110 3.766 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -1.583 -12.860 5.015 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -1.547 -14.415 5.823 1.00 0.00 H new ATOM 0 HD21 ASN A 50 0.400 -13.845 2.242 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -0.726 -12.646 2.884 1.00 0.00 H new ATOM 827 N HIS A 51 -4.533 -13.402 6.206 1.00 0.00 N ATOM 828 CA HIS A 51 -5.281 -13.546 7.456 1.00 0.00 C ATOM 829 C HIS A 51 -6.785 -13.637 7.212 1.00 0.00 C ATOM 830 O HIS A 51 -7.500 -14.282 7.977 1.00 0.00 O ATOM 831 CB HIS A 51 -4.965 -12.394 8.416 1.00 0.00 C ATOM 832 CG HIS A 51 -3.522 -12.337 8.833 1.00 0.00 C ATOM 833 ND1 HIS A 51 -2.964 -13.213 9.739 1.00 0.00 N ATOM 834 CD2 HIS A 51 -2.518 -11.510 8.450 1.00 0.00 C ATOM 835 CE1 HIS A 51 -1.684 -12.929 9.896 1.00 0.00 C ATOM 836 NE2 HIS A 51 -1.392 -11.900 9.126 1.00 0.00 N ATOM 0 H HIS A 51 -4.440 -12.444 5.870 1.00 0.00 H new ATOM 0 HA HIS A 51 -4.963 -14.482 7.915 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -5.235 -11.451 7.940 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -5.588 -12.492 9.305 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -2.592 -10.696 7.744 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -0.995 -13.450 10.544 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -0.474 -11.463 9.046 1.00 0.00 H new ATOM 845 N ASP A 52 -7.237 -13.008 6.130 1.00 0.00 N ATOM 846 CA ASP A 52 -8.651 -12.953 5.749 1.00 0.00 C ATOM 847 C ASP A 52 -9.517 -12.274 6.808 1.00 0.00 C ATOM 848 O ASP A 52 -9.912 -11.120 6.640 1.00 0.00 O ATOM 849 CB ASP A 52 -9.183 -14.349 5.431 1.00 0.00 C ATOM 850 CG ASP A 52 -10.613 -14.330 4.917 1.00 0.00 C ATOM 851 OD1 ASP A 52 -10.893 -13.605 3.934 1.00 0.00 O ATOM 852 OD2 ASP A 52 -11.463 -15.039 5.491 1.00 0.00 O ATOM 0 H ASP A 52 -6.624 -12.514 5.482 1.00 0.00 H new ATOM 0 HA ASP A 52 -8.711 -12.341 4.849 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -8.540 -14.817 4.686 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -9.132 -14.966 6.328 1.00 0.00 H new ATOM 857 N LYS A 53 -9.807 -12.981 7.893 1.00 0.00 N ATOM 858 CA LYS A 53 -10.701 -12.473 8.926 1.00 0.00 C ATOM 859 C LYS A 53 -10.226 -12.862 10.319 1.00 0.00 C ATOM 860 O LYS A 53 -9.834 -11.998 11.102 1.00 0.00 O ATOM 861 CB LYS A 53 -12.124 -12.991 8.696 1.00 0.00 C ATOM 862 CG LYS A 53 -12.836 -12.292 7.551 1.00 0.00 C ATOM 863 CD LYS A 53 -14.121 -12.999 7.157 1.00 0.00 C ATOM 864 CE LYS A 53 -14.805 -12.269 6.016 1.00 0.00 C ATOM 865 NZ LYS A 53 -15.900 -13.065 5.406 1.00 0.00 N ATOM 0 H LYS A 53 -9.434 -13.912 8.081 1.00 0.00 H new ATOM 0 HA LYS A 53 -10.697 -11.385 8.861 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -12.086 -14.061 8.493 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -12.704 -12.861 9.610 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -13.062 -11.265 7.839 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -12.171 -12.242 6.688 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -13.902 -14.025 6.860 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -14.791 -13.052 8.015 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -15.208 -11.325 6.383 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -14.068 -12.026 5.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -16.334 -12.522 4.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -15.515 -13.955 5.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -16.619 -13.276 6.127 1.00 0.00 H new ATOM 879 N GLN A 54 -10.252 -14.163 10.613 1.00 0.00 N ATOM 880 CA GLN A 54 -9.950 -14.663 11.956 1.00 0.00 C ATOM 881 C GLN A 54 -10.865 -13.971 12.962 1.00 0.00 C ATOM 882 O GLN A 54 -10.417 -13.178 13.795 1.00 0.00 O ATOM 883 CB GLN A 54 -8.475 -14.440 12.315 1.00 0.00 C ATOM 884 CG GLN A 54 -7.506 -14.971 11.268 1.00 0.00 C ATOM 885 CD GLN A 54 -7.778 -16.412 10.888 1.00 0.00 C ATOM 886 OE1 GLN A 54 -8.547 -16.690 9.965 1.00 0.00 O ATOM 887 NE2 GLN A 54 -7.152 -17.339 11.594 1.00 0.00 N ATOM 0 H GLN A 54 -10.480 -14.892 9.937 1.00 0.00 H new ATOM 0 HA GLN A 54 -10.128 -15.738 11.983 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -8.300 -13.373 12.452 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -8.265 -14.922 13.270 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -7.566 -14.348 10.376 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -6.488 -14.887 11.647 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -6.524 -17.067 12.350 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -7.298 -18.326 11.382 1.00 0.00 H new ATOM 896 N LYS A 55 -12.149 -14.308 12.875 1.00 0.00 N ATOM 897 CA LYS A 55 -13.212 -13.568 13.547 1.00 0.00 C ATOM 898 C LYS A 55 -12.980 -13.427 15.046 1.00 0.00 C ATOM 899 O LYS A 55 -12.939 -14.416 15.785 1.00 0.00 O ATOM 900 CB LYS A 55 -14.563 -14.239 13.296 1.00 0.00 C ATOM 901 CG LYS A 55 -14.944 -14.297 11.826 1.00 0.00 C ATOM 902 CD LYS A 55 -16.325 -14.899 11.624 1.00 0.00 C ATOM 903 CE LYS A 55 -16.399 -16.327 12.135 1.00 0.00 C ATOM 904 NZ LYS A 55 -17.734 -16.926 11.892 1.00 0.00 N ATOM 0 H LYS A 55 -12.482 -15.106 12.334 1.00 0.00 H new ATOM 0 HA LYS A 55 -13.209 -12.563 13.124 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -14.537 -15.252 13.697 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -15.336 -13.699 13.843 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -14.920 -13.292 11.405 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -14.207 -14.888 11.283 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -17.066 -14.289 12.141 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -16.579 -14.879 10.564 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -15.635 -16.930 11.644 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -16.181 -16.344 13.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -17.748 -17.901 12.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -18.460 -16.365 12.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -17.931 -16.933 10.871 1.00 0.00 H new ATOM 918 N LYS A 56 -12.816 -12.188 15.477 1.00 0.00 N ATOM 919 CA LYS A 56 -12.740 -11.858 16.886 1.00 0.00 C ATOM 920 C LYS A 56 -14.099 -11.343 17.338 1.00 0.00 C ATOM 921 O LYS A 56 -14.737 -12.002 18.182 1.00 0.00 O ATOM 922 CB LYS A 56 -11.625 -10.823 17.131 1.00 0.00 C ATOM 923 CG LYS A 56 -11.523 -10.320 18.568 1.00 0.00 C ATOM 924 CD LYS A 56 -12.378 -9.080 18.791 1.00 0.00 C ATOM 925 CE LYS A 56 -12.316 -8.599 20.232 1.00 0.00 C ATOM 926 NZ LYS A 56 -12.904 -9.584 21.177 1.00 0.00 N ATOM 927 OXT LYS A 56 -14.549 -10.310 16.800 1.00 0.00 O ATOM 0 H LYS A 56 -12.732 -11.382 14.857 1.00 0.00 H new ATOM 0 HA LYS A 56 -12.489 -12.743 17.470 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -10.670 -11.265 16.847 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -11.790 -9.970 16.473 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -11.838 -11.107 19.253 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -10.483 -10.092 18.801 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -12.042 -8.283 18.128 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -13.412 -9.300 18.526 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -11.278 -8.410 20.506 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -12.847 -7.651 20.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -13.012 -9.145 22.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -13.835 -9.887 20.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -12.277 -10.410 21.252 1.00 0.00 H new TER 941 LYS A 56 ATOM 942 N GLY B 2 24.741 20.971 9.680 1.00 0.00 N ATOM 943 CA GLY B 2 24.587 19.521 9.944 1.00 0.00 C ATOM 944 C GLY B 2 23.510 18.907 9.080 1.00 0.00 C ATOM 945 O GLY B 2 23.557 19.024 7.854 1.00 0.00 O ATOM 0 HA2 GLY B 2 25.534 19.015 9.759 1.00 0.00 H new ATOM 0 HA3 GLY B 2 24.343 19.366 10.995 1.00 0.00 H new ATOM 951 N ARG B 3 22.536 18.268 9.730 1.00 0.00 N ATOM 952 CA ARG B 3 21.401 17.635 9.058 1.00 0.00 C ATOM 953 C ARG B 3 21.842 16.420 8.243 1.00 0.00 C ATOM 954 O ARG B 3 22.501 16.553 7.208 1.00 0.00 O ATOM 955 CB ARG B 3 20.673 18.637 8.154 1.00 0.00 C ATOM 956 CG ARG B 3 19.346 18.127 7.606 1.00 0.00 C ATOM 957 CD ARG B 3 18.324 17.936 8.717 1.00 0.00 C ATOM 958 NE ARG B 3 18.116 19.167 9.485 1.00 0.00 N ATOM 959 CZ ARG B 3 17.136 19.349 10.372 1.00 0.00 C ATOM 960 NH1 ARG B 3 16.254 18.386 10.614 1.00 0.00 N ATOM 961 NH2 ARG B 3 17.039 20.502 11.023 1.00 0.00 N ATOM 0 H ARG B 3 22.513 18.175 10.745 1.00 0.00 H new ATOM 0 HA ARG B 3 20.713 17.295 9.832 1.00 0.00 H new ATOM 0 HB2 ARG B 3 20.494 19.554 8.716 1.00 0.00 H new ATOM 0 HB3 ARG B 3 21.324 18.897 7.319 1.00 0.00 H new ATOM 0 HG2 ARG B 3 18.959 18.832 6.871 1.00 0.00 H new ATOM 0 HG3 ARG B 3 19.504 17.181 7.088 1.00 0.00 H new ATOM 0 HD2 ARG B 3 17.376 17.612 8.287 1.00 0.00 H new ATOM 0 HD3 ARG B 3 18.658 17.143 9.386 1.00 0.00 H new ATOM 0 HE ARG B 3 18.766 19.938 9.331 1.00 0.00 H new ATOM 0 HH11 ARG B 3 16.322 17.496 10.120 1.00 0.00 H new ATOM 0 HH12 ARG B 3 15.509 18.536 11.294 1.00 0.00 H new ATOM 0 HH21 ARG B 3 17.713 21.247 10.845 1.00 0.00 H new ATOM 0 HH22 ARG B 3 16.291 20.643 11.701 1.00 0.00 H new ATOM 975 N PRO B 4 21.500 15.215 8.716 1.00 0.00 N ATOM 976 CA PRO B 4 21.757 13.974 7.980 1.00 0.00 C ATOM 977 C PRO B 4 21.039 13.961 6.629 1.00 0.00 C ATOM 978 O PRO B 4 20.092 14.717 6.404 1.00 0.00 O ATOM 979 CB PRO B 4 21.193 12.880 8.896 1.00 0.00 C ATOM 980 CG PRO B 4 20.291 13.583 9.853 1.00 0.00 C ATOM 981 CD PRO B 4 20.847 14.967 10.011 1.00 0.00 C ATOM 0 HA PRO B 4 22.815 13.843 7.754 1.00 0.00 H new ATOM 0 HB2 PRO B 4 20.648 12.131 8.322 1.00 0.00 H new ATOM 0 HB3 PRO B 4 21.993 12.359 9.422 1.00 0.00 H new ATOM 0 HG2 PRO B 4 19.270 13.615 9.474 1.00 0.00 H new ATOM 0 HG3 PRO B 4 20.259 13.064 10.811 1.00 0.00 H new ATOM 0 HD2 PRO B 4 20.062 15.696 10.213 1.00 0.00 H new ATOM 0 HD3 PRO B 4 21.556 15.025 10.837 1.00 0.00 H new ATOM 989 N TYR B 5 21.472 13.069 5.747 1.00 0.00 N ATOM 990 CA TYR B 5 20.955 13.024 4.385 1.00 0.00 C ATOM 991 C TYR B 5 19.636 12.275 4.368 1.00 0.00 C ATOM 992 O TYR B 5 18.818 12.438 3.466 1.00 0.00 O ATOM 993 CB TYR B 5 21.964 12.337 3.459 1.00 0.00 C ATOM 994 CG TYR B 5 23.379 12.840 3.630 1.00 0.00 C ATOM 995 CD1 TYR B 5 23.775 14.061 3.102 1.00 0.00 C ATOM 996 CD2 TYR B 5 24.316 12.092 4.327 1.00 0.00 C ATOM 997 CE1 TYR B 5 25.067 14.520 3.260 1.00 0.00 C ATOM 998 CE2 TYR B 5 25.609 12.545 4.491 1.00 0.00 C ATOM 999 CZ TYR B 5 25.979 13.759 3.956 1.00 0.00 C ATOM 1000 OH TYR B 5 27.268 14.215 4.117 1.00 0.00 O ATOM 0 H TYR B 5 22.182 12.365 5.951 1.00 0.00 H new ATOM 0 HA TYR B 5 20.794 14.042 4.029 1.00 0.00 H new ATOM 0 HB2 TYR B 5 21.944 11.263 3.645 1.00 0.00 H new ATOM 0 HB3 TYR B 5 21.656 12.487 2.424 1.00 0.00 H new ATOM 0 HD1 TYR B 5 23.061 14.662 2.559 1.00 0.00 H new ATOM 0 HD2 TYR B 5 24.029 11.140 4.748 1.00 0.00 H new ATOM 0 HE1 TYR B 5 25.361 15.471 2.840 1.00 0.00 H new ATOM 0 HE2 TYR B 5 26.327 11.951 5.036 1.00 0.00 H new ATOM 0 HH TYR B 5 27.784 13.561 4.632 1.00 0.00 H new ATOM 1010 N LYS B 6 19.435 11.468 5.399 1.00 0.00 N ATOM 1011 CA LYS B 6 18.187 10.747 5.587 1.00 0.00 C ATOM 1012 C LYS B 6 17.231 11.551 6.469 1.00 0.00 C ATOM 1013 O LYS B 6 16.527 10.992 7.309 1.00 0.00 O ATOM 1014 CB LYS B 6 18.465 9.370 6.200 1.00 0.00 C ATOM 1015 CG LYS B 6 19.532 9.384 7.284 1.00 0.00 C ATOM 1016 CD LYS B 6 19.780 7.989 7.834 1.00 0.00 C ATOM 1017 CE LYS B 6 20.967 7.962 8.785 1.00 0.00 C ATOM 1018 NZ LYS B 6 22.250 8.240 8.088 1.00 0.00 N ATOM 0 H LYS B 6 20.130 11.296 6.126 1.00 0.00 H new ATOM 0 HA LYS B 6 17.712 10.606 4.616 1.00 0.00 H new ATOM 0 HB2 LYS B 6 17.539 8.976 6.620 1.00 0.00 H new ATOM 0 HB3 LYS B 6 18.773 8.686 5.409 1.00 0.00 H new ATOM 0 HG2 LYS B 6 20.460 9.787 6.879 1.00 0.00 H new ATOM 0 HG3 LYS B 6 19.223 10.046 8.093 1.00 0.00 H new ATOM 0 HD2 LYS B 6 18.889 7.639 8.355 1.00 0.00 H new ATOM 0 HD3 LYS B 6 19.959 7.299 7.009 1.00 0.00 H new ATOM 0 HE2 LYS B 6 20.816 8.700 9.573 1.00 0.00 H new ATOM 0 HE3 LYS B 6 21.022 6.986 9.268 1.00 0.00 H new ATOM 0 HZ1 LYS B 6 23.044 7.967 8.701 1.00 0.00 H new ATOM 0 HZ2 LYS B 6 22.290 7.693 7.204 1.00 0.00 H new ATOM 0 HZ3 LYS B 6 22.314 9.255 7.870 1.00 0.00 H new ATOM 1032 N LEU B 7 17.238 12.872 6.262 1.00 0.00 N ATOM 1033 CA LEU B 7 16.378 13.812 6.987 1.00 0.00 C ATOM 1034 C LEU B 7 16.626 13.755 8.493 1.00 0.00 C ATOM 1035 O LEU B 7 17.447 14.502 9.021 1.00 0.00 O ATOM 1036 CB LEU B 7 14.894 13.564 6.681 1.00 0.00 C ATOM 1037 CG LEU B 7 14.483 13.748 5.216 1.00 0.00 C ATOM 1038 CD1 LEU B 7 12.998 13.474 5.040 1.00 0.00 C ATOM 1039 CD2 LEU B 7 14.827 15.151 4.736 1.00 0.00 C ATOM 0 H LEU B 7 17.847 13.323 5.579 1.00 0.00 H new ATOM 0 HA LEU B 7 16.637 14.812 6.639 1.00 0.00 H new ATOM 0 HB2 LEU B 7 14.643 12.548 6.986 1.00 0.00 H new ATOM 0 HB3 LEU B 7 14.297 14.238 7.295 1.00 0.00 H new ATOM 0 HG LEU B 7 15.039 13.032 4.611 1.00 0.00 H new ATOM 0 HD11 LEU B 7 12.725 13.610 3.994 1.00 0.00 H new ATOM 0 HD12 LEU B 7 12.779 12.450 5.343 1.00 0.00 H new ATOM 0 HD13 LEU B 7 12.425 14.166 5.657 1.00 0.00 H new ATOM 0 HD21 LEU B 7 14.528 15.263 3.694 1.00 0.00 H new ATOM 0 HD22 LEU B 7 14.299 15.884 5.346 1.00 0.00 H new ATOM 0 HD23 LEU B 7 15.901 15.313 4.824 1.00 0.00 H new ATOM 1051 N LEU B 8 15.916 12.865 9.173 1.00 0.00 N ATOM 1052 CA LEU B 8 16.079 12.665 10.607 1.00 0.00 C ATOM 1053 C LEU B 8 15.865 11.197 10.954 1.00 0.00 C ATOM 1054 O LEU B 8 15.106 10.866 11.867 1.00 0.00 O ATOM 1055 CB LEU B 8 15.101 13.543 11.394 1.00 0.00 C ATOM 1056 CG LEU B 8 15.464 15.027 11.463 1.00 0.00 C ATOM 1057 CD1 LEU B 8 14.333 15.813 12.101 1.00 0.00 C ATOM 1058 CD2 LEU B 8 16.758 15.222 12.242 1.00 0.00 C ATOM 0 H LEU B 8 15.212 12.262 8.747 1.00 0.00 H new ATOM 0 HA LEU B 8 17.093 12.953 10.883 1.00 0.00 H new ATOM 0 HB2 LEU B 8 14.112 13.448 10.946 1.00 0.00 H new ATOM 0 HB3 LEU B 8 15.028 13.156 12.410 1.00 0.00 H new ATOM 0 HG LEU B 8 15.616 15.398 10.449 1.00 0.00 H new ATOM 0 HD11 LEU B 8 14.603 16.868 12.145 1.00 0.00 H new ATOM 0 HD12 LEU B 8 13.427 15.694 11.507 1.00 0.00 H new ATOM 0 HD13 LEU B 8 14.156 15.442 13.110 1.00 0.00 H new ATOM 0 HD21 LEU B 8 17.002 16.284 12.282 1.00 0.00 H new ATOM 0 HD22 LEU B 8 16.634 14.840 13.255 1.00 0.00 H new ATOM 0 HD23 LEU B 8 17.565 14.682 11.747 1.00 0.00 H new ATOM 1070 N ASN B 9 16.519 10.319 10.186 1.00 0.00 N ATOM 1071 CA ASN B 9 16.436 8.867 10.390 1.00 0.00 C ATOM 1072 C ASN B 9 15.031 8.357 10.090 1.00 0.00 C ATOM 1073 O ASN B 9 14.639 7.272 10.516 1.00 0.00 O ATOM 1074 CB ASN B 9 16.857 8.488 11.815 1.00 0.00 C ATOM 1075 CG ASN B 9 18.323 8.777 12.075 1.00 0.00 C ATOM 1076 OD1 ASN B 9 19.154 8.674 11.173 1.00 0.00 O ATOM 1077 ND2 ASN B 9 18.653 9.143 13.301 1.00 0.00 N ATOM 0 H ASN B 9 17.119 10.593 9.408 1.00 0.00 H new ATOM 0 HA ASN B 9 17.127 8.390 9.695 1.00 0.00 H new ATOM 0 HB2 ASN B 9 16.247 9.039 12.531 1.00 0.00 H new ATOM 0 HB3 ASN B 9 16.662 7.428 11.980 1.00 0.00 H new ATOM 0 HD21 ASN B 9 19.626 9.352 13.527 1.00 0.00 H new ATOM 0 HD22 ASN B 9 17.935 9.217 14.022 1.00 0.00 H new ATOM 1084 N GLY B 10 14.296 9.149 9.327 1.00 0.00 N ATOM 1085 CA GLY B 10 12.942 8.810 8.959 1.00 0.00 C ATOM 1086 C GLY B 10 12.475 9.677 7.815 1.00 0.00 C ATOM 1087 O GLY B 10 12.793 10.867 7.769 1.00 0.00 O ATOM 0 H GLY B 10 14.623 10.038 8.950 1.00 0.00 H new ATOM 0 HA2 GLY B 10 12.888 7.760 8.673 1.00 0.00 H new ATOM 0 HA3 GLY B 10 12.282 8.941 9.816 1.00 0.00 H new ATOM 1091 N ILE B 11 11.735 9.096 6.885 1.00 0.00 N ATOM 1092 CA ILE B 11 11.353 9.811 5.673 1.00 0.00 C ATOM 1093 C ILE B 11 9.837 9.851 5.548 1.00 0.00 C ATOM 1094 O ILE B 11 9.151 8.905 5.949 1.00 0.00 O ATOM 1095 CB ILE B 11 11.957 9.154 4.406 1.00 0.00 C ATOM 1096 CG1 ILE B 11 13.410 8.729 4.639 1.00 0.00 C ATOM 1097 CG2 ILE B 11 11.877 10.108 3.220 1.00 0.00 C ATOM 1098 CD1 ILE B 11 14.343 9.880 4.948 1.00 0.00 C ATOM 0 H ILE B 11 11.388 8.139 6.942 1.00 0.00 H new ATOM 0 HA ILE B 11 11.746 10.825 5.751 1.00 0.00 H new ATOM 0 HB ILE B 11 11.372 8.261 4.185 1.00 0.00 H new ATOM 0 HG12 ILE B 11 13.442 8.017 5.463 1.00 0.00 H new ATOM 0 HG13 ILE B 11 13.773 8.208 3.753 1.00 0.00 H new ATOM 0 HG21 ILE B 11 12.306 9.630 2.339 1.00 0.00 H new ATOM 0 HG22 ILE B 11 10.835 10.360 3.025 1.00 0.00 H new ATOM 0 HG23 ILE B 11 12.434 11.017 3.446 1.00 0.00 H new ATOM 0 HD11 ILE B 11 15.353 9.499 5.100 1.00 0.00 H new ATOM 0 HD12 ILE B 11 14.342 10.583 4.115 1.00 0.00 H new ATOM 0 HD13 ILE B 11 14.007 10.388 5.852 1.00 0.00 H new ATOM 1110 N LYS B 12 9.323 10.920 4.955 1.00 0.00 N ATOM 1111 CA LYS B 12 7.890 11.163 4.911 1.00 0.00 C ATOM 1112 C LYS B 12 7.311 10.761 3.564 1.00 0.00 C ATOM 1113 O LYS B 12 7.785 11.187 2.513 1.00 0.00 O ATOM 1114 CB LYS B 12 7.610 12.646 5.185 1.00 0.00 C ATOM 1115 CG LYS B 12 6.149 13.055 5.067 1.00 0.00 C ATOM 1116 CD LYS B 12 5.250 12.237 5.978 1.00 0.00 C ATOM 1117 CE LYS B 12 3.825 12.767 5.990 1.00 0.00 C ATOM 1118 NZ LYS B 12 3.238 12.821 4.626 1.00 0.00 N ATOM 0 H LYS B 12 9.884 11.637 4.495 1.00 0.00 H new ATOM 0 HA LYS B 12 7.411 10.556 5.679 1.00 0.00 H new ATOM 0 HB2 LYS B 12 7.960 12.887 6.189 1.00 0.00 H new ATOM 0 HB3 LYS B 12 8.197 13.246 4.490 1.00 0.00 H new ATOM 0 HG2 LYS B 12 6.048 14.112 5.313 1.00 0.00 H new ATOM 0 HG3 LYS B 12 5.822 12.936 4.034 1.00 0.00 H new ATOM 0 HD2 LYS B 12 5.248 11.198 5.649 1.00 0.00 H new ATOM 0 HD3 LYS B 12 5.651 12.250 6.991 1.00 0.00 H new ATOM 0 HE2 LYS B 12 3.208 12.132 6.625 1.00 0.00 H new ATOM 0 HE3 LYS B 12 3.813 13.765 6.429 1.00 0.00 H new ATOM 0 HZ1 LYS B 12 2.227 13.057 4.692 1.00 0.00 H new ATOM 0 HZ2 LYS B 12 3.728 13.548 4.066 1.00 0.00 H new ATOM 0 HZ3 LYS B 12 3.348 11.896 4.164 1.00 0.00 H new ATOM 1132 N LEU B 13 6.283 9.928 3.619 1.00 0.00 N ATOM 1133 CA LEU B 13 5.650 9.387 2.428 1.00 0.00 C ATOM 1134 C LEU B 13 4.136 9.488 2.533 1.00 0.00 C ATOM 1135 O LEU B 13 3.595 9.766 3.608 1.00 0.00 O ATOM 1136 CB LEU B 13 6.062 7.925 2.205 1.00 0.00 C ATOM 1137 CG LEU B 13 5.795 6.967 3.373 1.00 0.00 C ATOM 1138 CD1 LEU B 13 5.705 5.533 2.869 1.00 0.00 C ATOM 1139 CD2 LEU B 13 6.892 7.079 4.423 1.00 0.00 C ATOM 0 H LEU B 13 5.864 9.608 4.492 1.00 0.00 H new ATOM 0 HA LEU B 13 5.985 9.977 1.575 1.00 0.00 H new ATOM 0 HB2 LEU B 13 5.537 7.550 1.326 1.00 0.00 H new ATOM 0 HB3 LEU B 13 7.127 7.899 1.976 1.00 0.00 H new ATOM 0 HG LEU B 13 4.845 7.244 3.831 1.00 0.00 H new ATOM 0 HD11 LEU B 13 5.515 4.864 3.708 1.00 0.00 H new ATOM 0 HD12 LEU B 13 4.891 5.451 2.148 1.00 0.00 H new ATOM 0 HD13 LEU B 13 6.644 5.256 2.389 1.00 0.00 H new ATOM 0 HD21 LEU B 13 6.683 6.391 5.242 1.00 0.00 H new ATOM 0 HD22 LEU B 13 7.853 6.827 3.974 1.00 0.00 H new ATOM 0 HD23 LEU B 13 6.927 8.099 4.806 1.00 0.00 H new ATOM 1151 N GLY B 14 3.461 9.274 1.417 1.00 0.00 N ATOM 1152 CA GLY B 14 2.019 9.324 1.406 1.00 0.00 C ATOM 1153 C GLY B 14 1.428 8.315 0.448 1.00 0.00 C ATOM 1154 O GLY B 14 1.778 8.290 -0.730 1.00 0.00 O ATOM 0 H GLY B 14 3.889 9.066 0.515 1.00 0.00 H new ATOM 0 HA2 GLY B 14 1.641 9.135 2.411 1.00 0.00 H new ATOM 0 HA3 GLY B 14 1.692 10.325 1.126 1.00 0.00 H new ATOM 1158 N VAL B 15 0.542 7.474 0.955 1.00 0.00 N ATOM 1159 CA VAL B 15 -0.082 6.443 0.141 1.00 0.00 C ATOM 1160 C VAL B 15 -1.542 6.808 -0.130 1.00 0.00 C ATOM 1161 O VAL B 15 -2.193 7.448 0.701 1.00 0.00 O ATOM 1162 CB VAL B 15 0.017 5.045 0.818 1.00 0.00 C ATOM 1163 CG1 VAL B 15 -0.538 3.958 -0.089 1.00 0.00 C ATOM 1164 CG2 VAL B 15 1.457 4.735 1.198 1.00 0.00 C ATOM 0 H VAL B 15 0.238 7.485 1.929 1.00 0.00 H new ATOM 0 HA VAL B 15 0.454 6.386 -0.807 1.00 0.00 H new ATOM 0 HB VAL B 15 -0.585 5.069 1.726 1.00 0.00 H new ATOM 0 HG11 VAL B 15 -0.456 2.992 0.409 1.00 0.00 H new ATOM 0 HG12 VAL B 15 -1.585 4.166 -0.308 1.00 0.00 H new ATOM 0 HG13 VAL B 15 0.029 3.936 -1.019 1.00 0.00 H new ATOM 0 HG21 VAL B 15 1.506 3.754 1.670 1.00 0.00 H new ATOM 0 HG22 VAL B 15 2.078 4.738 0.302 1.00 0.00 H new ATOM 0 HG23 VAL B 15 1.820 5.491 1.894 1.00 0.00 H new ATOM 1174 N TYR B 16 -2.039 6.452 -1.307 1.00 0.00 N ATOM 1175 CA TYR B 16 -3.430 6.707 -1.663 1.00 0.00 C ATOM 1176 C TYR B 16 -4.168 5.386 -1.808 1.00 0.00 C ATOM 1177 O TYR B 16 -3.791 4.553 -2.633 1.00 0.00 O ATOM 1178 CB TYR B 16 -3.509 7.470 -2.979 1.00 0.00 C ATOM 1179 CG TYR B 16 -4.777 8.269 -3.146 1.00 0.00 C ATOM 1180 CD1 TYR B 16 -5.293 8.994 -2.087 1.00 0.00 C ATOM 1181 CD2 TYR B 16 -5.447 8.312 -4.361 1.00 0.00 C ATOM 1182 CE1 TYR B 16 -6.442 9.741 -2.225 1.00 0.00 C ATOM 1183 CE2 TYR B 16 -6.601 9.056 -4.511 1.00 0.00 C ATOM 1184 CZ TYR B 16 -7.096 9.772 -3.440 1.00 0.00 C ATOM 1185 OH TYR B 16 -8.240 10.522 -3.586 1.00 0.00 O ATOM 0 H TYR B 16 -1.498 5.984 -2.034 1.00 0.00 H new ATOM 0 HA TYR B 16 -3.889 7.305 -0.875 1.00 0.00 H new ATOM 0 HB2 TYR B 16 -2.655 8.143 -3.049 1.00 0.00 H new ATOM 0 HB3 TYR B 16 -3.426 6.762 -3.804 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -4.785 8.974 -1.134 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -5.060 7.755 -5.202 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -6.829 10.300 -1.386 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -7.113 9.077 -5.462 1.00 0.00 H new ATOM 0 HH TYR B 16 -8.873 10.295 -2.873 1.00 0.00 H new ATOM 1195 N ILE B 17 -5.217 5.189 -1.020 1.00 0.00 N ATOM 1196 CA ILE B 17 -5.925 3.913 -1.035 1.00 0.00 C ATOM 1197 C ILE B 17 -7.435 4.091 -0.881 1.00 0.00 C ATOM 1198 O ILE B 17 -7.899 5.095 -0.331 1.00 0.00 O ATOM 1199 CB ILE B 17 -5.408 2.945 0.059 1.00 0.00 C ATOM 1200 CG1 ILE B 17 -5.696 3.479 1.461 1.00 0.00 C ATOM 1201 CG2 ILE B 17 -3.919 2.689 -0.106 1.00 0.00 C ATOM 1202 CD1 ILE B 17 -5.239 2.537 2.555 1.00 0.00 C ATOM 0 H ILE B 17 -5.592 5.882 -0.373 1.00 0.00 H new ATOM 0 HA ILE B 17 -5.723 3.475 -2.012 1.00 0.00 H new ATOM 0 HB ILE B 17 -5.943 2.003 -0.062 1.00 0.00 H new ATOM 0 HG12 ILE B 17 -5.200 4.442 1.587 1.00 0.00 H new ATOM 0 HG13 ILE B 17 -6.767 3.656 1.564 1.00 0.00 H new ATOM 0 HG21 ILE B 17 -3.579 2.007 0.673 1.00 0.00 H new ATOM 0 HG22 ILE B 17 -3.732 2.245 -1.084 1.00 0.00 H new ATOM 0 HG23 ILE B 17 -3.377 3.631 -0.026 1.00 0.00 H new ATOM 0 HD11 ILE B 17 -5.470 2.970 3.528 1.00 0.00 H new ATOM 0 HD12 ILE B 17 -5.754 1.582 2.451 1.00 0.00 H new ATOM 0 HD13 ILE B 17 -4.163 2.380 2.474 1.00 0.00 H new ATOM 1214 N PRO B 18 -8.205 3.104 -1.377 1.00 0.00 N ATOM 1215 CA PRO B 18 -9.680 3.117 -1.346 1.00 0.00 C ATOM 1216 C PRO B 18 -10.260 3.348 0.048 1.00 0.00 C ATOM 1217 O PRO B 18 -9.664 2.977 1.065 1.00 0.00 O ATOM 1218 CB PRO B 18 -10.050 1.714 -1.834 1.00 0.00 C ATOM 1219 CG PRO B 18 -8.901 1.286 -2.671 1.00 0.00 C ATOM 1220 CD PRO B 18 -7.686 1.888 -2.034 1.00 0.00 C ATOM 0 HA PRO B 18 -10.079 3.932 -1.950 1.00 0.00 H new ATOM 0 HB2 PRO B 18 -10.205 1.033 -0.997 1.00 0.00 H new ATOM 0 HB3 PRO B 18 -10.975 1.727 -2.410 1.00 0.00 H new ATOM 0 HG2 PRO B 18 -8.826 0.199 -2.706 1.00 0.00 H new ATOM 0 HG3 PRO B 18 -9.016 1.631 -3.699 1.00 0.00 H new ATOM 0 HD2 PRO B 18 -7.231 1.207 -1.315 1.00 0.00 H new ATOM 0 HD3 PRO B 18 -6.922 2.127 -2.774 1.00 0.00 H new ATOM 1228 N GLN B 19 -11.444 3.953 0.083 1.00 0.00 N ATOM 1229 CA GLN B 19 -12.129 4.251 1.338 1.00 0.00 C ATOM 1230 C GLN B 19 -12.592 2.963 2.023 1.00 0.00 C ATOM 1231 O GLN B 19 -12.692 2.904 3.246 1.00 0.00 O ATOM 1232 CB GLN B 19 -13.334 5.160 1.098 1.00 0.00 C ATOM 1233 CG GLN B 19 -14.422 4.509 0.263 1.00 0.00 C ATOM 1234 CD GLN B 19 -15.802 4.994 0.647 1.00 0.00 C ATOM 1235 OE1 GLN B 19 -16.321 5.953 0.079 1.00 0.00 O ATOM 1236 NE2 GLN B 19 -16.401 4.337 1.628 1.00 0.00 N ATOM 0 H GLN B 19 -11.953 4.249 -0.750 1.00 0.00 H new ATOM 0 HA GLN B 19 -11.420 4.765 1.987 1.00 0.00 H new ATOM 0 HB2 GLN B 19 -13.753 5.457 2.059 1.00 0.00 H new ATOM 0 HB3 GLN B 19 -13.000 6.070 0.600 1.00 0.00 H new ATOM 0 HG2 GLN B 19 -14.244 4.721 -0.791 1.00 0.00 H new ATOM 0 HG3 GLN B 19 -14.372 3.427 0.384 1.00 0.00 H new ATOM 0 HE21 GLN B 19 -15.934 3.546 2.072 1.00 0.00 H new ATOM 0 HE22 GLN B 19 -17.330 4.621 1.940 1.00 0.00 H new ATOM 1245 N GLU B 20 -12.892 1.944 1.215 1.00 0.00 N ATOM 1246 CA GLU B 20 -13.245 0.614 1.721 1.00 0.00 C ATOM 1247 C GLU B 20 -12.140 0.090 2.631 1.00 0.00 C ATOM 1248 O GLU B 20 -12.390 -0.565 3.652 1.00 0.00 O ATOM 1249 CB GLU B 20 -13.445 -0.345 0.548 1.00 0.00 C ATOM 1250 CG GLU B 20 -14.504 0.120 -0.435 1.00 0.00 C ATOM 1251 CD GLU B 20 -14.396 -0.576 -1.772 1.00 0.00 C ATOM 1252 OE1 GLU B 20 -13.490 -0.220 -2.557 1.00 0.00 O ATOM 1253 OE2 GLU B 20 -15.213 -1.474 -2.053 1.00 0.00 O ATOM 0 H GLU B 20 -12.898 2.015 0.198 1.00 0.00 H new ATOM 0 HA GLU B 20 -14.170 0.685 2.293 1.00 0.00 H new ATOM 0 HB2 GLU B 20 -12.498 -0.466 0.021 1.00 0.00 H new ATOM 0 HB3 GLU B 20 -13.723 -1.326 0.933 1.00 0.00 H new ATOM 0 HG2 GLU B 20 -15.492 -0.062 -0.013 1.00 0.00 H new ATOM 0 HG3 GLU B 20 -14.413 1.196 -0.581 1.00 0.00 H new ATOM 1260 N TRP B 21 -10.917 0.450 2.279 1.00 0.00 N ATOM 1261 CA TRP B 21 -9.757 0.042 3.035 1.00 0.00 C ATOM 1262 C TRP B 21 -9.672 0.855 4.303 1.00 0.00 C ATOM 1263 O TRP B 21 -9.409 0.323 5.364 1.00 0.00 O ATOM 1264 CB TRP B 21 -8.490 0.286 2.232 1.00 0.00 C ATOM 1265 CG TRP B 21 -8.189 -0.733 1.187 1.00 0.00 C ATOM 1266 CD1 TRP B 21 -9.020 -1.658 0.631 1.00 0.00 C ATOM 1267 CD2 TRP B 21 -6.925 -0.906 0.578 1.00 0.00 C ATOM 1268 NE1 TRP B 21 -8.329 -2.404 -0.302 1.00 0.00 N ATOM 1269 CE2 TRP B 21 -7.029 -1.955 -0.347 1.00 0.00 C ATOM 1270 CE3 TRP B 21 -5.710 -0.258 0.735 1.00 0.00 C ATOM 1271 CZ2 TRP B 21 -5.937 -2.371 -1.112 1.00 0.00 C ATOM 1272 CZ3 TRP B 21 -4.643 -0.664 -0.012 1.00 0.00 C ATOM 1273 CH2 TRP B 21 -4.751 -1.703 -0.923 1.00 0.00 C ATOM 0 H TRP B 21 -10.707 1.029 1.466 1.00 0.00 H new ATOM 0 HA TRP B 21 -9.850 -1.020 3.264 1.00 0.00 H new ATOM 0 HB2 TRP B 21 -8.566 1.262 1.752 1.00 0.00 H new ATOM 0 HB3 TRP B 21 -7.647 0.335 2.921 1.00 0.00 H new ATOM 0 HD1 TRP B 21 -10.062 -1.788 0.882 1.00 0.00 H new ATOM 0 HE1 TRP B 21 -8.717 -3.161 -0.864 1.00 0.00 H new ATOM 0 HE3 TRP B 21 -5.609 0.556 1.438 1.00 0.00 H new ATOM 0 HZ2 TRP B 21 -6.021 -3.182 -1.821 1.00 0.00 H new ATOM 0 HZ3 TRP B 21 -3.693 -0.165 0.109 1.00 0.00 H new ATOM 0 HH2 TRP B 21 -3.884 -1.994 -1.497 1.00 0.00 H new ATOM 1284 N HIS B 22 -9.918 2.149 4.177 1.00 0.00 N ATOM 1285 CA HIS B 22 -9.890 3.038 5.326 1.00 0.00 C ATOM 1286 C HIS B 22 -10.840 2.546 6.410 1.00 0.00 C ATOM 1287 O HIS B 22 -10.466 2.489 7.572 1.00 0.00 O ATOM 1288 CB HIS B 22 -10.240 4.468 4.919 1.00 0.00 C ATOM 1289 CG HIS B 22 -9.112 5.196 4.252 1.00 0.00 C ATOM 1290 ND1 HIS B 22 -8.384 6.181 4.880 1.00 0.00 N ATOM 1291 CD2 HIS B 22 -8.583 5.079 3.010 1.00 0.00 C ATOM 1292 CE1 HIS B 22 -7.457 6.636 4.061 1.00 0.00 C ATOM 1293 NE2 HIS B 22 -7.556 5.986 2.918 1.00 0.00 N ATOM 0 H HIS B 22 -10.139 2.606 3.292 1.00 0.00 H new ATOM 0 HA HIS B 22 -8.877 3.036 5.727 1.00 0.00 H new ATOM 0 HB2 HIS B 22 -11.096 4.446 4.245 1.00 0.00 H new ATOM 0 HB3 HIS B 22 -10.547 5.024 5.805 1.00 0.00 H new ATOM 0 HD2 HIS B 22 -8.908 4.399 2.237 1.00 0.00 H new ATOM 0 HE1 HIS B 22 -6.738 7.410 4.288 1.00 0.00 H new ATOM 0 HE2 HIS B 22 -6.966 6.133 2.099 1.00 0.00 H new ATOM 1302 N ASP B 23 -12.048 2.162 6.019 1.00 0.00 N ATOM 1303 CA ASP B 23 -13.047 1.669 6.969 1.00 0.00 C ATOM 1304 C ASP B 23 -12.526 0.456 7.744 1.00 0.00 C ATOM 1305 O ASP B 23 -12.514 0.449 8.986 1.00 0.00 O ATOM 1306 CB ASP B 23 -14.337 1.305 6.229 1.00 0.00 C ATOM 1307 CG ASP B 23 -15.392 0.709 7.144 1.00 0.00 C ATOM 1308 OD1 ASP B 23 -16.024 1.466 7.910 1.00 0.00 O ATOM 1309 OD2 ASP B 23 -15.617 -0.519 7.076 1.00 0.00 O ATOM 0 H ASP B 23 -12.364 2.181 5.049 1.00 0.00 H new ATOM 0 HA ASP B 23 -13.253 2.463 7.686 1.00 0.00 H new ATOM 0 HB2 ASP B 23 -14.740 2.197 5.750 1.00 0.00 H new ATOM 0 HB3 ASP B 23 -14.107 0.594 5.436 1.00 0.00 H new ATOM 1314 N ARG B 24 -12.034 -0.541 7.014 1.00 0.00 N ATOM 1315 CA ARG B 24 -11.575 -1.779 7.641 1.00 0.00 C ATOM 1316 C ARG B 24 -10.289 -1.548 8.433 1.00 0.00 C ATOM 1317 O ARG B 24 -10.139 -2.038 9.554 1.00 0.00 O ATOM 1318 CB ARG B 24 -11.340 -2.867 6.586 1.00 0.00 C ATOM 1319 CG ARG B 24 -12.548 -3.750 6.303 1.00 0.00 C ATOM 1320 CD ARG B 24 -13.756 -2.959 5.827 1.00 0.00 C ATOM 1321 NE ARG B 24 -14.754 -3.834 5.207 1.00 0.00 N ATOM 1322 CZ ARG B 24 -16.003 -3.474 4.911 1.00 0.00 C ATOM 1323 NH1 ARG B 24 -16.473 -2.287 5.276 1.00 0.00 N ATOM 1324 NH2 ARG B 24 -16.800 -4.326 4.275 1.00 0.00 N ATOM 0 H ARG B 24 -11.943 -0.518 5.998 1.00 0.00 H new ATOM 0 HA ARG B 24 -12.355 -2.110 8.327 1.00 0.00 H new ATOM 0 HB2 ARG B 24 -11.029 -2.391 5.656 1.00 0.00 H new ATOM 0 HB3 ARG B 24 -10.514 -3.499 6.913 1.00 0.00 H new ATOM 0 HG2 ARG B 24 -12.283 -4.490 5.548 1.00 0.00 H new ATOM 0 HG3 ARG B 24 -12.812 -4.298 7.207 1.00 0.00 H new ATOM 0 HD2 ARG B 24 -14.204 -2.433 6.670 1.00 0.00 H new ATOM 0 HD3 ARG B 24 -13.438 -2.201 5.111 1.00 0.00 H new ATOM 0 HE ARG B 24 -14.473 -4.789 4.985 1.00 0.00 H new ATOM 0 HH11 ARG B 24 -15.876 -1.638 5.789 1.00 0.00 H new ATOM 0 HH12 ARG B 24 -17.431 -2.024 5.043 1.00 0.00 H new ATOM 0 HH21 ARG B 24 -16.455 -5.250 4.016 1.00 0.00 H new ATOM 0 HH22 ARG B 24 -17.757 -4.056 4.046 1.00 0.00 H new ATOM 1338 N LEU B 25 -9.378 -0.777 7.854 1.00 0.00 N ATOM 1339 CA LEU B 25 -8.094 -0.497 8.482 1.00 0.00 C ATOM 1340 C LEU B 25 -8.271 0.323 9.749 1.00 0.00 C ATOM 1341 O LEU B 25 -7.592 0.084 10.737 1.00 0.00 O ATOM 1342 CB LEU B 25 -7.165 0.251 7.522 1.00 0.00 C ATOM 1343 CG LEU B 25 -6.731 -0.538 6.281 1.00 0.00 C ATOM 1344 CD1 LEU B 25 -5.815 0.309 5.412 1.00 0.00 C ATOM 1345 CD2 LEU B 25 -6.036 -1.832 6.680 1.00 0.00 C ATOM 0 H LEU B 25 -9.506 -0.332 6.945 1.00 0.00 H new ATOM 0 HA LEU B 25 -7.645 -1.456 8.739 1.00 0.00 H new ATOM 0 HB2 LEU B 25 -7.665 1.163 7.196 1.00 0.00 H new ATOM 0 HB3 LEU B 25 -6.273 0.555 8.069 1.00 0.00 H new ATOM 0 HG LEU B 25 -7.622 -0.792 5.707 1.00 0.00 H new ATOM 0 HD11 LEU B 25 -5.514 -0.263 4.534 1.00 0.00 H new ATOM 0 HD12 LEU B 25 -6.343 1.208 5.095 1.00 0.00 H new ATOM 0 HD13 LEU B 25 -4.930 0.590 5.983 1.00 0.00 H new ATOM 0 HD21 LEU B 25 -5.737 -2.376 5.784 1.00 0.00 H new ATOM 0 HD22 LEU B 25 -5.153 -1.602 7.277 1.00 0.00 H new ATOM 0 HD23 LEU B 25 -6.720 -2.447 7.266 1.00 0.00 H new ATOM 1357 N MET B 26 -9.179 1.292 9.714 1.00 0.00 N ATOM 1358 CA MET B 26 -9.406 2.159 10.864 1.00 0.00 C ATOM 1359 C MET B 26 -9.912 1.378 12.065 1.00 0.00 C ATOM 1360 O MET B 26 -9.526 1.670 13.193 1.00 0.00 O ATOM 1361 CB MET B 26 -10.370 3.302 10.536 1.00 0.00 C ATOM 1362 CG MET B 26 -9.752 4.388 9.667 1.00 0.00 C ATOM 1363 SD MET B 26 -10.846 5.806 9.429 1.00 0.00 S ATOM 1364 CE MET B 26 -12.282 5.026 8.690 1.00 0.00 C ATOM 0 H MET B 26 -9.767 1.496 8.906 1.00 0.00 H new ATOM 0 HA MET B 26 -8.439 2.593 11.119 1.00 0.00 H new ATOM 0 HB2 MET B 26 -11.244 2.895 10.028 1.00 0.00 H new ATOM 0 HB3 MET B 26 -10.721 3.748 11.466 1.00 0.00 H new ATOM 0 HG2 MET B 26 -8.822 4.726 10.124 1.00 0.00 H new ATOM 0 HG3 MET B 26 -9.495 3.966 8.695 1.00 0.00 H new ATOM 0 HE1 MET B 26 -13.028 5.785 8.455 1.00 0.00 H new ATOM 0 HE2 MET B 26 -11.987 4.512 7.775 1.00 0.00 H new ATOM 0 HE3 MET B 26 -12.706 4.306 9.390 1.00 0.00 H new ATOM 1374 N GLU B 27 -10.766 0.386 11.841 1.00 0.00 N ATOM 1375 CA GLU B 27 -11.246 -0.421 12.957 1.00 0.00 C ATOM 1376 C GLU B 27 -10.094 -1.218 13.571 1.00 0.00 C ATOM 1377 O GLU B 27 -9.958 -1.293 14.796 1.00 0.00 O ATOM 1378 CB GLU B 27 -12.378 -1.354 12.533 1.00 0.00 C ATOM 1379 CG GLU B 27 -12.980 -2.113 13.705 1.00 0.00 C ATOM 1380 CD GLU B 27 -14.272 -2.812 13.355 1.00 0.00 C ATOM 1381 OE1 GLU B 27 -15.315 -2.128 13.272 1.00 0.00 O ATOM 1382 OE2 GLU B 27 -14.259 -4.048 13.174 1.00 0.00 O ATOM 0 H GLU B 27 -11.132 0.126 10.925 1.00 0.00 H new ATOM 0 HA GLU B 27 -11.646 0.258 13.710 1.00 0.00 H new ATOM 0 HB2 GLU B 27 -13.158 -0.773 12.042 1.00 0.00 H new ATOM 0 HB3 GLU B 27 -12.001 -2.066 11.799 1.00 0.00 H new ATOM 0 HG2 GLU B 27 -12.260 -2.850 14.062 1.00 0.00 H new ATOM 0 HG3 GLU B 27 -13.160 -1.419 14.526 1.00 0.00 H new ATOM 1389 N ILE B 28 -9.250 -1.783 12.717 1.00 0.00 N ATOM 1390 CA ILE B 28 -8.068 -2.506 13.180 1.00 0.00 C ATOM 1391 C ILE B 28 -7.116 -1.541 13.886 1.00 0.00 C ATOM 1392 O ILE B 28 -6.447 -1.892 14.860 1.00 0.00 O ATOM 1393 CB ILE B 28 -7.336 -3.195 12.007 1.00 0.00 C ATOM 1394 CG1 ILE B 28 -8.279 -4.167 11.290 1.00 0.00 C ATOM 1395 CG2 ILE B 28 -6.094 -3.926 12.502 1.00 0.00 C ATOM 1396 CD1 ILE B 28 -7.673 -4.819 10.066 1.00 0.00 C ATOM 0 H ILE B 28 -9.359 -1.756 11.703 1.00 0.00 H new ATOM 0 HA ILE B 28 -8.394 -3.278 13.877 1.00 0.00 H new ATOM 0 HB ILE B 28 -7.021 -2.428 11.299 1.00 0.00 H new ATOM 0 HG12 ILE B 28 -8.584 -4.945 11.990 1.00 0.00 H new ATOM 0 HG13 ILE B 28 -9.181 -3.631 10.995 1.00 0.00 H new ATOM 0 HG21 ILE B 28 -5.593 -4.404 11.660 1.00 0.00 H new ATOM 0 HG22 ILE B 28 -5.415 -3.214 12.971 1.00 0.00 H new ATOM 0 HG23 ILE B 28 -6.384 -4.684 13.230 1.00 0.00 H new ATOM 0 HD11 ILE B 28 -8.401 -5.492 9.614 1.00 0.00 H new ATOM 0 HD12 ILE B 28 -7.393 -4.051 9.345 1.00 0.00 H new ATOM 0 HD13 ILE B 28 -6.787 -5.384 10.356 1.00 0.00 H new ATOM 1408 N ALA B 29 -7.089 -0.315 13.385 1.00 0.00 N ATOM 1409 CA ALA B 29 -6.258 0.745 13.928 1.00 0.00 C ATOM 1410 C ALA B 29 -6.670 1.103 15.354 1.00 0.00 C ATOM 1411 O ALA B 29 -5.842 1.522 16.163 1.00 0.00 O ATOM 1412 CB ALA B 29 -6.333 1.965 13.024 1.00 0.00 C ATOM 0 H ALA B 29 -7.649 -0.027 12.583 1.00 0.00 H new ATOM 0 HA ALA B 29 -5.228 0.390 13.968 1.00 0.00 H new ATOM 0 HB1 ALA B 29 -5.709 2.760 13.433 1.00 0.00 H new ATOM 0 HB2 ALA B 29 -5.979 1.702 12.027 1.00 0.00 H new ATOM 0 HB3 ALA B 29 -7.365 2.310 12.963 1.00 0.00 H new ATOM 1418 N LYS B 30 -7.946 0.912 15.665 1.00 0.00 N ATOM 1419 CA LYS B 30 -8.458 1.200 16.999 1.00 0.00 C ATOM 1420 C LYS B 30 -8.084 0.062 17.930 1.00 0.00 C ATOM 1421 O LYS B 30 -7.830 0.260 19.119 1.00 0.00 O ATOM 1422 CB LYS B 30 -9.983 1.350 16.960 1.00 0.00 C ATOM 1423 CG LYS B 30 -10.471 2.383 15.958 1.00 0.00 C ATOM 1424 CD LYS B 30 -11.975 2.299 15.753 1.00 0.00 C ATOM 1425 CE LYS B 30 -12.423 3.192 14.604 1.00 0.00 C ATOM 1426 NZ LYS B 30 -13.872 3.045 14.310 1.00 0.00 N ATOM 0 H LYS B 30 -8.645 0.559 15.012 1.00 0.00 H new ATOM 0 HA LYS B 30 -8.022 2.132 17.358 1.00 0.00 H new ATOM 0 HB2 LYS B 30 -10.428 0.385 16.719 1.00 0.00 H new ATOM 0 HB3 LYS B 30 -10.337 1.625 17.953 1.00 0.00 H new ATOM 0 HG2 LYS B 30 -10.206 3.381 16.306 1.00 0.00 H new ATOM 0 HG3 LYS B 30 -9.965 2.233 15.005 1.00 0.00 H new ATOM 0 HD2 LYS B 30 -12.260 1.267 15.548 1.00 0.00 H new ATOM 0 HD3 LYS B 30 -12.487 2.595 16.669 1.00 0.00 H new ATOM 0 HE2 LYS B 30 -12.208 4.232 14.849 1.00 0.00 H new ATOM 0 HE3 LYS B 30 -11.847 2.949 13.711 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 -14.132 3.671 13.521 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 -14.075 2.059 14.050 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 -14.425 3.302 15.153 1.00 0.00 H new ATOM 1440 N GLU B 31 -8.052 -1.128 17.359 1.00 0.00 N ATOM 1441 CA GLU B 31 -7.661 -2.329 18.076 1.00 0.00 C ATOM 1442 C GLU B 31 -6.205 -2.241 18.544 1.00 0.00 C ATOM 1443 O GLU B 31 -5.888 -2.546 19.694 1.00 0.00 O ATOM 1444 CB GLU B 31 -7.854 -3.545 17.165 1.00 0.00 C ATOM 1445 CG GLU B 31 -7.523 -4.876 17.816 1.00 0.00 C ATOM 1446 CD GLU B 31 -8.433 -5.199 18.978 1.00 0.00 C ATOM 1447 OE1 GLU B 31 -9.538 -5.731 18.741 1.00 0.00 O ATOM 1448 OE2 GLU B 31 -8.044 -4.929 20.132 1.00 0.00 O ATOM 0 H GLU B 31 -8.297 -1.290 16.382 1.00 0.00 H new ATOM 0 HA GLU B 31 -8.289 -2.431 18.961 1.00 0.00 H new ATOM 0 HB2 GLU B 31 -8.889 -3.568 16.825 1.00 0.00 H new ATOM 0 HB3 GLU B 31 -7.231 -3.423 16.279 1.00 0.00 H new ATOM 0 HG2 GLU B 31 -7.596 -5.668 17.071 1.00 0.00 H new ATOM 0 HG3 GLU B 31 -6.490 -4.859 18.163 1.00 0.00 H new ATOM 1455 N LYS B 32 -5.329 -1.811 17.645 1.00 0.00 N ATOM 1456 CA LYS B 32 -3.895 -1.808 17.914 1.00 0.00 C ATOM 1457 C LYS B 32 -3.377 -0.460 18.422 1.00 0.00 C ATOM 1458 O LYS B 32 -2.204 -0.348 18.773 1.00 0.00 O ATOM 1459 CB LYS B 32 -3.111 -2.203 16.658 1.00 0.00 C ATOM 1460 CG LYS B 32 -2.717 -3.674 16.602 1.00 0.00 C ATOM 1461 CD LYS B 32 -3.889 -4.586 16.275 1.00 0.00 C ATOM 1462 CE LYS B 32 -3.456 -6.045 16.294 1.00 0.00 C ATOM 1463 NZ LYS B 32 -4.502 -6.958 15.758 1.00 0.00 N ATOM 0 H LYS B 32 -5.586 -1.459 16.723 1.00 0.00 H new ATOM 0 HA LYS B 32 -3.738 -2.540 18.706 1.00 0.00 H new ATOM 0 HB2 LYS B 32 -3.711 -1.966 15.780 1.00 0.00 H new ATOM 0 HB3 LYS B 32 -2.208 -1.595 16.601 1.00 0.00 H new ATOM 0 HG2 LYS B 32 -1.938 -3.808 15.852 1.00 0.00 H new ATOM 0 HG3 LYS B 32 -2.290 -3.968 17.561 1.00 0.00 H new ATOM 0 HD2 LYS B 32 -4.690 -4.430 16.997 1.00 0.00 H new ATOM 0 HD3 LYS B 32 -4.290 -4.333 15.294 1.00 0.00 H new ATOM 0 HE2 LYS B 32 -2.545 -6.158 15.707 1.00 0.00 H new ATOM 0 HE3 LYS B 32 -3.214 -6.335 17.316 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 -4.158 -7.939 15.793 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 -5.365 -6.873 16.333 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 -4.716 -6.701 14.773 1.00 0.00 H new ATOM 1477 N ASN B 33 -4.251 0.549 18.460 1.00 0.00 N ATOM 1478 CA ASN B 33 -3.845 1.921 18.805 1.00 0.00 C ATOM 1479 C ASN B 33 -2.786 2.417 17.822 1.00 0.00 C ATOM 1480 O ASN B 33 -1.770 2.997 18.203 1.00 0.00 O ATOM 1481 CB ASN B 33 -3.319 2.013 20.247 1.00 0.00 C ATOM 1482 CG ASN B 33 -4.424 1.999 21.290 1.00 0.00 C ATOM 1483 OD1 ASN B 33 -5.481 1.396 21.094 1.00 0.00 O ATOM 1484 ND2 ASN B 33 -4.185 2.671 22.406 1.00 0.00 N ATOM 0 H ASN B 33 -5.245 0.445 18.257 1.00 0.00 H new ATOM 0 HA ASN B 33 -4.727 2.557 18.735 1.00 0.00 H new ATOM 0 HB2 ASN B 33 -2.642 1.180 20.434 1.00 0.00 H new ATOM 0 HB3 ASN B 33 -2.736 2.928 20.357 1.00 0.00 H new ATOM 0 HD21 ASN B 33 -4.889 2.703 23.143 1.00 0.00 H new ATOM 0 HD22 ASN B 33 -3.296 3.157 22.528 1.00 0.00 H new ATOM 1491 N LEU B 34 -3.054 2.171 16.552 1.00 0.00 N ATOM 1492 CA LEU B 34 -2.136 2.482 15.462 1.00 0.00 C ATOM 1493 C LEU B 34 -2.902 3.162 14.340 1.00 0.00 C ATOM 1494 O LEU B 34 -4.120 3.259 14.400 1.00 0.00 O ATOM 1495 CB LEU B 34 -1.473 1.205 14.939 1.00 0.00 C ATOM 1496 CG LEU B 34 -0.517 0.517 15.914 1.00 0.00 C ATOM 1497 CD1 LEU B 34 0.003 -0.784 15.326 1.00 0.00 C ATOM 1498 CD2 LEU B 34 0.641 1.441 16.266 1.00 0.00 C ATOM 0 H LEU B 34 -3.926 1.744 16.241 1.00 0.00 H new ATOM 0 HA LEU B 34 -1.357 3.149 15.832 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -2.254 0.497 14.662 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -0.925 1.447 14.029 1.00 0.00 H new ATOM 0 HG LEU B 34 -1.066 0.286 16.827 1.00 0.00 H new ATOM 0 HD11 LEU B 34 0.682 -1.258 16.035 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -0.834 -1.452 15.123 1.00 0.00 H new ATOM 0 HD13 LEU B 34 0.535 -0.577 14.398 1.00 0.00 H new ATOM 0 HD21 LEU B 34 1.312 0.935 16.961 1.00 0.00 H new ATOM 0 HD22 LEU B 34 1.187 1.702 15.359 1.00 0.00 H new ATOM 0 HD23 LEU B 34 0.254 2.348 16.730 1.00 0.00 H new ATOM 1510 N THR B 35 -2.198 3.680 13.350 1.00 0.00 N ATOM 1511 CA THR B 35 -2.863 4.259 12.195 1.00 0.00 C ATOM 1512 C THR B 35 -2.792 3.294 11.017 1.00 0.00 C ATOM 1513 O THR B 35 -1.982 2.371 11.018 1.00 0.00 O ATOM 1514 CB THR B 35 -2.230 5.602 11.782 1.00 0.00 C ATOM 1515 OG1 THR B 35 -0.858 5.407 11.410 1.00 0.00 O ATOM 1516 CG2 THR B 35 -2.313 6.615 12.914 1.00 0.00 C ATOM 0 H THR B 35 -1.179 3.712 13.321 1.00 0.00 H new ATOM 0 HA THR B 35 -3.901 4.441 12.474 1.00 0.00 H new ATOM 0 HB THR B 35 -2.787 5.989 10.929 1.00 0.00 H new ATOM 0 HG1 THR B 35 -0.355 5.070 12.181 1.00 0.00 H new ATOM 0 HG21 THR B 35 -1.859 7.554 12.596 1.00 0.00 H new ATOM 0 HG22 THR B 35 -3.358 6.786 13.173 1.00 0.00 H new ATOM 0 HG23 THR B 35 -1.781 6.232 13.785 1.00 0.00 H new ATOM 1524 N LEU B 36 -3.650 3.490 10.021 1.00 0.00 N ATOM 1525 CA LEU B 36 -3.594 2.696 8.793 1.00 0.00 C ATOM 1526 C LEU B 36 -2.245 2.877 8.112 1.00 0.00 C ATOM 1527 O LEU B 36 -1.761 1.979 7.432 1.00 0.00 O ATOM 1528 CB LEU B 36 -4.740 3.060 7.842 1.00 0.00 C ATOM 1529 CG LEU B 36 -4.721 4.476 7.254 1.00 0.00 C ATOM 1530 CD1 LEU B 36 -5.621 4.536 6.032 1.00 0.00 C ATOM 1531 CD2 LEU B 36 -5.168 5.512 8.275 1.00 0.00 C ATOM 0 H LEU B 36 -4.392 4.190 10.037 1.00 0.00 H new ATOM 0 HA LEU B 36 -3.711 1.646 9.060 1.00 0.00 H new ATOM 0 HB2 LEU B 36 -4.737 2.348 7.016 1.00 0.00 H new ATOM 0 HB3 LEU B 36 -5.681 2.925 8.375 1.00 0.00 H new ATOM 0 HG LEU B 36 -3.695 4.708 6.969 1.00 0.00 H new ATOM 0 HD11 LEU B 36 -5.605 5.544 5.617 1.00 0.00 H new ATOM 0 HD12 LEU B 36 -5.265 3.829 5.283 1.00 0.00 H new ATOM 0 HD13 LEU B 36 -6.641 4.278 6.318 1.00 0.00 H new ATOM 0 HD21 LEU B 36 -5.142 6.503 7.823 1.00 0.00 H new ATOM 0 HD22 LEU B 36 -6.184 5.288 8.600 1.00 0.00 H new ATOM 0 HD23 LEU B 36 -4.499 5.488 9.135 1.00 0.00 H new ATOM 1543 N SER B 37 -1.645 4.039 8.311 1.00 0.00 N ATOM 1544 CA SER B 37 -0.284 4.283 7.878 1.00 0.00 C ATOM 1545 C SER B 37 0.658 3.261 8.516 1.00 0.00 C ATOM 1546 O SER B 37 1.506 2.672 7.842 1.00 0.00 O ATOM 1547 CB SER B 37 0.124 5.700 8.267 1.00 0.00 C ATOM 1548 OG SER B 37 -0.839 6.637 7.817 1.00 0.00 O ATOM 0 H SER B 37 -2.086 4.833 8.774 1.00 0.00 H new ATOM 0 HA SER B 37 -0.222 4.180 6.795 1.00 0.00 H new ATOM 0 HB2 SER B 37 0.229 5.770 9.350 1.00 0.00 H new ATOM 0 HB3 SER B 37 1.097 5.935 7.836 1.00 0.00 H new ATOM 0 HG SER B 37 -0.403 7.498 7.647 1.00 0.00 H new ATOM 1554 N ASP B 38 0.477 3.038 9.817 1.00 0.00 N ATOM 1555 CA ASP B 38 1.268 2.055 10.549 1.00 0.00 C ATOM 1556 C ASP B 38 0.966 0.655 10.052 1.00 0.00 C ATOM 1557 O ASP B 38 1.873 -0.100 9.730 1.00 0.00 O ATOM 1558 CB ASP B 38 0.989 2.111 12.052 1.00 0.00 C ATOM 1559 CG ASP B 38 1.406 3.415 12.683 1.00 0.00 C ATOM 1560 OD1 ASP B 38 2.615 3.728 12.667 1.00 0.00 O ATOM 1561 OD2 ASP B 38 0.524 4.128 13.210 1.00 0.00 O ATOM 0 H ASP B 38 -0.214 3.528 10.386 1.00 0.00 H new ATOM 0 HA ASP B 38 2.317 2.297 10.375 1.00 0.00 H new ATOM 0 HB2 ASP B 38 -0.076 1.955 12.224 1.00 0.00 H new ATOM 0 HB3 ASP B 38 1.514 1.292 12.544 1.00 0.00 H new ATOM 1566 N VAL B 39 -0.316 0.328 9.970 1.00 0.00 N ATOM 1567 CA VAL B 39 -0.745 -1.009 9.572 1.00 0.00 C ATOM 1568 C VAL B 39 -0.257 -1.336 8.162 1.00 0.00 C ATOM 1569 O VAL B 39 0.090 -2.477 7.865 1.00 0.00 O ATOM 1570 CB VAL B 39 -2.287 -1.145 9.627 1.00 0.00 C ATOM 1571 CG1 VAL B 39 -2.727 -2.551 9.240 1.00 0.00 C ATOM 1572 CG2 VAL B 39 -2.811 -0.782 11.011 1.00 0.00 C ATOM 0 H VAL B 39 -1.081 0.971 10.174 1.00 0.00 H new ATOM 0 HA VAL B 39 -0.306 -1.714 10.278 1.00 0.00 H new ATOM 0 HB VAL B 39 -2.711 -0.448 8.904 1.00 0.00 H new ATOM 0 HG11 VAL B 39 -3.814 -2.618 9.287 1.00 0.00 H new ATOM 0 HG12 VAL B 39 -2.394 -2.770 8.226 1.00 0.00 H new ATOM 0 HG13 VAL B 39 -2.289 -3.272 9.930 1.00 0.00 H new ATOM 0 HG21 VAL B 39 -3.896 -0.884 11.028 1.00 0.00 H new ATOM 0 HG22 VAL B 39 -2.372 -1.449 11.753 1.00 0.00 H new ATOM 0 HG23 VAL B 39 -2.540 0.248 11.244 1.00 0.00 H new ATOM 1582 N CYS B 40 -0.199 -0.321 7.314 1.00 0.00 N ATOM 1583 CA CYS B 40 0.227 -0.502 5.937 1.00 0.00 C ATOM 1584 C CYS B 40 1.706 -0.918 5.884 1.00 0.00 C ATOM 1585 O CYS B 40 2.046 -1.958 5.315 1.00 0.00 O ATOM 1586 CB CYS B 40 -0.031 0.787 5.140 1.00 0.00 C ATOM 1587 SG CYS B 40 -0.348 0.528 3.388 1.00 0.00 S ATOM 0 H CYS B 40 -0.443 0.639 7.557 1.00 0.00 H new ATOM 0 HA CYS B 40 -0.353 -1.304 5.480 1.00 0.00 H new ATOM 0 HB2 CYS B 40 -0.884 1.306 5.578 1.00 0.00 H new ATOM 0 HB3 CYS B 40 0.832 1.445 5.247 1.00 0.00 H new ATOM 0 HG CYS B 40 -0.216 -0.734 3.105 1.00 0.00 H new ATOM 1593 N ARG B 41 2.586 -0.124 6.496 1.00 0.00 N ATOM 1594 CA ARG B 41 4.006 -0.467 6.548 1.00 0.00 C ATOM 1595 C ARG B 41 4.266 -1.710 7.413 1.00 0.00 C ATOM 1596 O ARG B 41 5.227 -2.440 7.184 1.00 0.00 O ATOM 1597 CB ARG B 41 4.853 0.735 7.006 1.00 0.00 C ATOM 1598 CG ARG B 41 4.389 1.418 8.286 1.00 0.00 C ATOM 1599 CD ARG B 41 4.905 0.723 9.536 1.00 0.00 C ATOM 1600 NE ARG B 41 4.525 1.457 10.747 1.00 0.00 N ATOM 1601 CZ ARG B 41 4.951 1.160 11.976 1.00 0.00 C ATOM 1602 NH1 ARG B 41 5.800 0.156 12.170 1.00 0.00 N ATOM 1603 NH2 ARG B 41 4.527 1.875 13.012 1.00 0.00 N ATOM 0 H ARG B 41 2.343 0.752 6.958 1.00 0.00 H new ATOM 0 HA ARG B 41 4.316 -0.720 5.534 1.00 0.00 H new ATOM 0 HB2 ARG B 41 5.881 0.400 7.146 1.00 0.00 H new ATOM 0 HB3 ARG B 41 4.865 1.474 6.205 1.00 0.00 H new ATOM 0 HG2 ARG B 41 4.727 2.454 8.284 1.00 0.00 H new ATOM 0 HG3 ARG B 41 3.299 1.438 8.309 1.00 0.00 H new ATOM 0 HD2 ARG B 41 4.507 -0.291 9.582 1.00 0.00 H new ATOM 0 HD3 ARG B 41 5.990 0.637 9.485 1.00 0.00 H new ATOM 0 HE ARG B 41 3.891 2.249 10.643 1.00 0.00 H new ATOM 0 HH11 ARG B 41 6.130 -0.393 11.376 1.00 0.00 H new ATOM 0 HH12 ARG B 41 6.121 -0.065 13.112 1.00 0.00 H new ATOM 0 HH21 ARG B 41 3.878 2.648 12.867 1.00 0.00 H new ATOM 0 HH22 ARG B 41 4.851 1.651 13.953 1.00 0.00 H new ATOM 1617 N LEU B 42 3.404 -1.963 8.394 1.00 0.00 N ATOM 1618 CA LEU B 42 3.507 -3.181 9.197 1.00 0.00 C ATOM 1619 C LEU B 42 3.178 -4.390 8.343 1.00 0.00 C ATOM 1620 O LEU B 42 3.742 -5.470 8.518 1.00 0.00 O ATOM 1621 CB LEU B 42 2.565 -3.131 10.403 1.00 0.00 C ATOM 1622 CG LEU B 42 3.007 -2.213 11.542 1.00 0.00 C ATOM 1623 CD1 LEU B 42 1.951 -2.179 12.635 1.00 0.00 C ATOM 1624 CD2 LEU B 42 4.338 -2.678 12.110 1.00 0.00 C ATOM 0 H LEU B 42 2.632 -1.348 8.652 1.00 0.00 H new ATOM 0 HA LEU B 42 4.530 -3.258 9.565 1.00 0.00 H new ATOM 0 HB2 LEU B 42 1.581 -2.810 10.061 1.00 0.00 H new ATOM 0 HB3 LEU B 42 2.452 -4.141 10.796 1.00 0.00 H new ATOM 0 HG LEU B 42 3.130 -1.205 11.146 1.00 0.00 H new ATOM 0 HD11 LEU B 42 2.281 -1.521 13.439 1.00 0.00 H new ATOM 0 HD12 LEU B 42 1.013 -1.807 12.223 1.00 0.00 H new ATOM 0 HD13 LEU B 42 1.801 -3.185 13.028 1.00 0.00 H new ATOM 0 HD21 LEU B 42 4.640 -2.014 12.920 1.00 0.00 H new ATOM 0 HD22 LEU B 42 4.236 -3.694 12.492 1.00 0.00 H new ATOM 0 HD23 LEU B 42 5.095 -2.660 11.326 1.00 0.00 H new ATOM 1636 N ALA B 43 2.274 -4.194 7.401 1.00 0.00 N ATOM 1637 CA ALA B 43 1.923 -5.239 6.472 1.00 0.00 C ATOM 1638 C ALA B 43 3.038 -5.442 5.464 1.00 0.00 C ATOM 1639 O ALA B 43 3.108 -6.478 4.818 1.00 0.00 O ATOM 1640 CB ALA B 43 0.623 -4.916 5.771 1.00 0.00 C ATOM 0 H ALA B 43 1.772 -3.317 7.263 1.00 0.00 H new ATOM 0 HA ALA B 43 1.786 -6.166 7.029 1.00 0.00 H new ATOM 0 HB1 ALA B 43 0.376 -5.717 5.074 1.00 0.00 H new ATOM 0 HB2 ALA B 43 -0.174 -4.818 6.509 1.00 0.00 H new ATOM 0 HB3 ALA B 43 0.728 -3.979 5.224 1.00 0.00 H new ATOM 1646 N ILE B 44 3.906 -4.443 5.319 1.00 0.00 N ATOM 1647 CA ILE B 44 5.103 -4.598 4.507 1.00 0.00 C ATOM 1648 C ILE B 44 6.034 -5.592 5.180 1.00 0.00 C ATOM 1649 O ILE B 44 6.634 -6.444 4.525 1.00 0.00 O ATOM 1650 CB ILE B 44 5.842 -3.258 4.284 1.00 0.00 C ATOM 1651 CG1 ILE B 44 4.949 -2.278 3.520 1.00 0.00 C ATOM 1652 CG2 ILE B 44 7.151 -3.481 3.534 1.00 0.00 C ATOM 1653 CD1 ILE B 44 5.604 -0.938 3.253 1.00 0.00 C ATOM 0 H ILE B 44 3.801 -3.525 5.751 1.00 0.00 H new ATOM 0 HA ILE B 44 4.797 -4.963 3.527 1.00 0.00 H new ATOM 0 HB ILE B 44 6.076 -2.830 5.259 1.00 0.00 H new ATOM 0 HG12 ILE B 44 4.661 -2.728 2.570 1.00 0.00 H new ATOM 0 HG13 ILE B 44 4.032 -2.118 4.087 1.00 0.00 H new ATOM 0 HG21 ILE B 44 7.654 -2.525 3.388 1.00 0.00 H new ATOM 0 HG22 ILE B 44 7.793 -4.145 4.113 1.00 0.00 H new ATOM 0 HG23 ILE B 44 6.942 -3.933 2.564 1.00 0.00 H new ATOM 0 HD11 ILE B 44 4.911 -0.297 2.708 1.00 0.00 H new ATOM 0 HD12 ILE B 44 5.867 -0.466 4.200 1.00 0.00 H new ATOM 0 HD13 ILE B 44 6.506 -1.086 2.659 1.00 0.00 H new ATOM 1665 N LYS B 45 6.133 -5.486 6.499 1.00 0.00 N ATOM 1666 CA LYS B 45 6.894 -6.442 7.289 1.00 0.00 C ATOM 1667 C LYS B 45 6.346 -7.851 7.063 1.00 0.00 C ATOM 1668 O LYS B 45 7.104 -8.810 6.938 1.00 0.00 O ATOM 1669 CB LYS B 45 6.825 -6.080 8.774 1.00 0.00 C ATOM 1670 CG LYS B 45 7.729 -6.914 9.678 1.00 0.00 C ATOM 1671 CD LYS B 45 9.197 -6.531 9.534 1.00 0.00 C ATOM 1672 CE LYS B 45 9.931 -7.428 8.546 1.00 0.00 C ATOM 1673 NZ LYS B 45 10.067 -8.822 9.049 1.00 0.00 N ATOM 0 H LYS B 45 5.694 -4.745 7.045 1.00 0.00 H new ATOM 0 HA LYS B 45 7.937 -6.410 6.974 1.00 0.00 H new ATOM 0 HB2 LYS B 45 7.089 -5.029 8.890 1.00 0.00 H new ATOM 0 HB3 LYS B 45 5.795 -6.190 9.113 1.00 0.00 H new ATOM 0 HG2 LYS B 45 7.421 -6.785 10.716 1.00 0.00 H new ATOM 0 HG3 LYS B 45 7.605 -7.970 9.438 1.00 0.00 H new ATOM 0 HD2 LYS B 45 9.270 -5.495 9.205 1.00 0.00 H new ATOM 0 HD3 LYS B 45 9.684 -6.591 10.508 1.00 0.00 H new ATOM 0 HE2 LYS B 45 9.395 -7.436 7.597 1.00 0.00 H new ATOM 0 HE3 LYS B 45 10.921 -7.016 8.349 1.00 0.00 H new ATOM 0 HZ1 LYS B 45 10.825 -9.307 8.527 1.00 0.00 H new ATOM 0 HZ2 LYS B 45 10.301 -8.804 10.062 1.00 0.00 H new ATOM 0 HZ3 LYS B 45 9.170 -9.330 8.910 1.00 0.00 H new ATOM 1687 N GLU B 46 5.021 -7.948 6.976 1.00 0.00 N ATOM 1688 CA GLU B 46 4.342 -9.213 6.732 1.00 0.00 C ATOM 1689 C GLU B 46 4.642 -9.680 5.312 1.00 0.00 C ATOM 1690 O GLU B 46 4.958 -10.843 5.075 1.00 0.00 O ATOM 1691 CB GLU B 46 2.829 -9.025 6.901 1.00 0.00 C ATOM 1692 CG GLU B 46 2.027 -10.315 6.876 1.00 0.00 C ATOM 1693 CD GLU B 46 1.962 -10.992 8.229 1.00 0.00 C ATOM 1694 OE1 GLU B 46 2.940 -11.660 8.621 1.00 0.00 O ATOM 1695 OE2 GLU B 46 0.923 -10.856 8.909 1.00 0.00 O ATOM 0 H GLU B 46 4.391 -7.152 7.073 1.00 0.00 H new ATOM 0 HA GLU B 46 4.694 -9.959 7.444 1.00 0.00 H new ATOM 0 HB2 GLU B 46 2.642 -8.514 7.846 1.00 0.00 H new ATOM 0 HB3 GLU B 46 2.466 -8.371 6.108 1.00 0.00 H new ATOM 0 HG2 GLU B 46 1.015 -10.102 6.533 1.00 0.00 H new ATOM 0 HG3 GLU B 46 2.471 -11.000 6.153 1.00 0.00 H new ATOM 1702 N TYR B 47 4.580 -8.729 4.389 1.00 0.00 N ATOM 1703 CA TYR B 47 4.799 -8.975 2.971 1.00 0.00 C ATOM 1704 C TYR B 47 6.204 -9.530 2.747 1.00 0.00 C ATOM 1705 O TYR B 47 6.419 -10.425 1.923 1.00 0.00 O ATOM 1706 CB TYR B 47 4.609 -7.656 2.209 1.00 0.00 C ATOM 1707 CG TYR B 47 4.666 -7.759 0.702 1.00 0.00 C ATOM 1708 CD1 TYR B 47 3.519 -8.016 -0.035 1.00 0.00 C ATOM 1709 CD2 TYR B 47 5.858 -7.569 0.016 1.00 0.00 C ATOM 1710 CE1 TYR B 47 3.558 -8.092 -1.413 1.00 0.00 C ATOM 1711 CE2 TYR B 47 5.904 -7.640 -1.361 1.00 0.00 C ATOM 1712 CZ TYR B 47 4.753 -7.900 -2.070 1.00 0.00 C ATOM 1713 OH TYR B 47 4.799 -7.969 -3.443 1.00 0.00 O ATOM 0 H TYR B 47 4.374 -7.754 4.607 1.00 0.00 H new ATOM 0 HA TYR B 47 4.084 -9.711 2.604 1.00 0.00 H new ATOM 0 HB2 TYR B 47 3.646 -7.230 2.490 1.00 0.00 H new ATOM 0 HB3 TYR B 47 5.376 -6.954 2.537 1.00 0.00 H new ATOM 0 HD1 TYR B 47 2.579 -8.159 0.478 1.00 0.00 H new ATOM 0 HD2 TYR B 47 6.763 -7.363 0.569 1.00 0.00 H new ATOM 0 HE1 TYR B 47 2.658 -8.301 -1.972 1.00 0.00 H new ATOM 0 HE2 TYR B 47 6.839 -7.492 -1.881 1.00 0.00 H new ATOM 0 HH TYR B 47 5.717 -7.809 -3.748 1.00 0.00 H new ATOM 1723 N LEU B 48 7.156 -8.993 3.497 1.00 0.00 N ATOM 1724 CA LEU B 48 8.529 -9.464 3.451 1.00 0.00 C ATOM 1725 C LEU B 48 8.636 -10.876 4.011 1.00 0.00 C ATOM 1726 O LEU B 48 9.189 -11.764 3.373 1.00 0.00 O ATOM 1727 CB LEU B 48 9.443 -8.531 4.247 1.00 0.00 C ATOM 1728 CG LEU B 48 9.489 -7.081 3.758 1.00 0.00 C ATOM 1729 CD1 LEU B 48 10.408 -6.252 4.639 1.00 0.00 C ATOM 1730 CD2 LEU B 48 9.945 -7.020 2.307 1.00 0.00 C ATOM 0 H LEU B 48 6.998 -8.225 4.149 1.00 0.00 H new ATOM 0 HA LEU B 48 8.844 -9.472 2.408 1.00 0.00 H new ATOM 0 HB2 LEU B 48 9.120 -8.535 5.288 1.00 0.00 H new ATOM 0 HB3 LEU B 48 10.455 -8.936 4.225 1.00 0.00 H new ATOM 0 HG LEU B 48 8.483 -6.665 3.820 1.00 0.00 H new ATOM 0 HD11 LEU B 48 10.429 -5.224 4.277 1.00 0.00 H new ATOM 0 HD12 LEU B 48 10.040 -6.268 5.665 1.00 0.00 H new ATOM 0 HD13 LEU B 48 11.415 -6.668 4.608 1.00 0.00 H new ATOM 0 HD21 LEU B 48 9.971 -5.981 1.977 1.00 0.00 H new ATOM 0 HD22 LEU B 48 10.941 -7.454 2.220 1.00 0.00 H new ATOM 0 HD23 LEU B 48 9.249 -7.581 1.683 1.00 0.00 H new ATOM 1742 N ASP B 49 8.091 -11.070 5.204 1.00 0.00 N ATOM 1743 CA ASP B 49 8.188 -12.350 5.906 1.00 0.00 C ATOM 1744 C ASP B 49 7.504 -13.487 5.151 1.00 0.00 C ATOM 1745 O ASP B 49 7.897 -14.644 5.284 1.00 0.00 O ATOM 1746 CB ASP B 49 7.605 -12.230 7.311 1.00 0.00 C ATOM 1747 CG ASP B 49 8.563 -11.572 8.281 1.00 0.00 C ATOM 1748 OD1 ASP B 49 9.745 -11.972 8.329 1.00 0.00 O ATOM 1749 OD2 ASP B 49 8.146 -10.636 8.996 1.00 0.00 O ATOM 0 H ASP B 49 7.573 -10.354 5.712 1.00 0.00 H new ATOM 0 HA ASP B 49 9.248 -12.597 5.969 1.00 0.00 H new ATOM 0 HB2 ASP B 49 6.681 -11.653 7.270 1.00 0.00 H new ATOM 0 HB3 ASP B 49 7.345 -13.222 7.679 1.00 0.00 H new ATOM 1754 N ASN B 50 6.505 -13.159 4.341 1.00 0.00 N ATOM 1755 CA ASN B 50 5.795 -14.176 3.571 1.00 0.00 C ATOM 1756 C ASN B 50 6.671 -14.690 2.440 1.00 0.00 C ATOM 1757 O ASN B 50 6.638 -15.870 2.101 1.00 0.00 O ATOM 1758 CB ASN B 50 4.503 -13.607 2.975 1.00 0.00 C ATOM 1759 CG ASN B 50 3.434 -13.307 4.010 1.00 0.00 C ATOM 1760 OD1 ASN B 50 3.322 -13.990 5.031 1.00 0.00 O ATOM 1761 ND2 ASN B 50 2.634 -12.285 3.743 1.00 0.00 N ATOM 0 H ASN B 50 6.169 -12.206 4.200 1.00 0.00 H new ATOM 0 HA ASN B 50 5.549 -14.993 4.249 1.00 0.00 H new ATOM 0 HB2 ASN B 50 4.737 -12.692 2.431 1.00 0.00 H new ATOM 0 HB3 ASN B 50 4.105 -14.316 2.249 1.00 0.00 H new ATOM 0 HD21 ASN B 50 1.890 -12.036 4.394 1.00 0.00 H new ATOM 0 HD22 ASN B 50 2.763 -11.747 2.886 1.00 0.00 H new ATOM 1768 N HIS B 51 7.455 -13.796 1.859 1.00 0.00 N ATOM 1769 CA HIS B 51 8.308 -14.146 0.727 1.00 0.00 C ATOM 1770 C HIS B 51 9.721 -14.459 1.200 1.00 0.00 C ATOM 1771 O HIS B 51 10.573 -14.860 0.408 1.00 0.00 O ATOM 1772 CB HIS B 51 8.343 -13.005 -0.298 1.00 0.00 C ATOM 1773 CG HIS B 51 6.988 -12.559 -0.770 1.00 0.00 C ATOM 1774 ND1 HIS B 51 6.785 -11.376 -1.442 1.00 0.00 N ATOM 1775 CD2 HIS B 51 5.767 -13.134 -0.653 1.00 0.00 C ATOM 1776 CE1 HIS B 51 5.501 -11.243 -1.712 1.00 0.00 C ATOM 1777 NE2 HIS B 51 4.859 -12.295 -1.244 1.00 0.00 N ATOM 0 H HIS B 51 7.521 -12.821 2.151 1.00 0.00 H new ATOM 0 HA HIS B 51 7.890 -15.033 0.251 1.00 0.00 H new ATOM 0 HB2 HIS B 51 8.861 -12.153 0.142 1.00 0.00 H new ATOM 0 HB3 HIS B 51 8.929 -13.324 -1.160 1.00 0.00 H new ATOM 0 HD2 HIS B 51 5.549 -14.080 -0.180 1.00 0.00 H new ATOM 0 HE1 HIS B 51 5.050 -10.410 -2.231 1.00 0.00 H new ATOM 0 HE2 HIS B 51 3.854 -12.457 -1.311 1.00 0.00 H new ATOM 1786 N ASP B 52 9.945 -14.285 2.501 1.00 0.00 N ATOM 1787 CA ASP B 52 11.274 -14.358 3.106 1.00 0.00 C ATOM 1788 C ASP B 52 12.191 -13.267 2.551 1.00 0.00 C ATOM 1789 O ASP B 52 12.249 -12.170 3.101 1.00 0.00 O ATOM 1790 CB ASP B 52 11.893 -15.743 2.920 1.00 0.00 C ATOM 1791 CG ASP B 52 13.294 -15.843 3.490 1.00 0.00 C ATOM 1792 OD1 ASP B 52 13.463 -15.676 4.720 1.00 0.00 O ATOM 1793 OD2 ASP B 52 14.236 -16.088 2.709 1.00 0.00 O ATOM 0 H ASP B 52 9.202 -14.087 3.171 1.00 0.00 H new ATOM 0 HA ASP B 52 11.160 -14.188 4.177 1.00 0.00 H new ATOM 0 HB2 ASP B 52 11.257 -16.487 3.399 1.00 0.00 H new ATOM 0 HB3 ASP B 52 11.920 -15.984 1.857 1.00 0.00 H new ATOM 1798 N LYS B 53 12.885 -13.562 1.459 1.00 0.00 N ATOM 1799 CA LYS B 53 13.793 -12.602 0.837 1.00 0.00 C ATOM 1800 C LYS B 53 13.816 -12.814 -0.671 1.00 0.00 C ATOM 1801 O LYS B 53 13.451 -11.918 -1.431 1.00 0.00 O ATOM 1802 CB LYS B 53 15.220 -12.743 1.390 1.00 0.00 C ATOM 1803 CG LYS B 53 15.347 -12.474 2.881 1.00 0.00 C ATOM 1804 CD LYS B 53 16.796 -12.525 3.336 1.00 0.00 C ATOM 1805 CE LYS B 53 16.913 -12.370 4.840 1.00 0.00 C ATOM 1806 NZ LYS B 53 18.330 -12.363 5.289 1.00 0.00 N ATOM 0 H LYS B 53 12.837 -14.463 0.983 1.00 0.00 H new ATOM 0 HA LYS B 53 13.430 -11.600 1.068 1.00 0.00 H new ATOM 0 HB2 LYS B 53 15.578 -13.752 1.184 1.00 0.00 H new ATOM 0 HB3 LYS B 53 15.874 -12.056 0.853 1.00 0.00 H new ATOM 0 HG2 LYS B 53 14.927 -11.495 3.112 1.00 0.00 H new ATOM 0 HG3 LYS B 53 14.765 -13.210 3.435 1.00 0.00 H new ATOM 0 HD2 LYS B 53 17.241 -13.472 3.031 1.00 0.00 H new ATOM 0 HD3 LYS B 53 17.361 -11.734 2.843 1.00 0.00 H new ATOM 0 HE2 LYS B 53 16.430 -11.442 5.148 1.00 0.00 H new ATOM 0 HE3 LYS B 53 16.381 -13.185 5.331 1.00 0.00 H new ATOM 0 HZ1 LYS B 53 18.366 -12.255 6.323 1.00 0.00 H new ATOM 0 HZ2 LYS B 53 18.784 -13.258 5.018 1.00 0.00 H new ATOM 0 HZ3 LYS B 53 18.832 -11.570 4.841 1.00 0.00 H new ATOM 1820 N GLN B 54 14.239 -14.013 -1.077 1.00 0.00 N ATOM 1821 CA GLN B 54 14.337 -14.397 -2.486 1.00 0.00 C ATOM 1822 C GLN B 54 15.466 -13.653 -3.191 1.00 0.00 C ATOM 1823 O GLN B 54 15.374 -12.458 -3.472 1.00 0.00 O ATOM 1824 CB GLN B 54 13.016 -14.174 -3.227 1.00 0.00 C ATOM 1825 CG GLN B 54 11.873 -15.021 -2.701 1.00 0.00 C ATOM 1826 CD GLN B 54 12.147 -16.504 -2.829 1.00 0.00 C ATOM 1827 OE1 GLN B 54 12.711 -17.125 -1.928 1.00 0.00 O ATOM 1828 NE2 GLN B 54 11.747 -17.085 -3.949 1.00 0.00 N ATOM 0 H GLN B 54 14.525 -14.750 -0.432 1.00 0.00 H new ATOM 0 HA GLN B 54 14.562 -15.463 -2.505 1.00 0.00 H new ATOM 0 HB2 GLN B 54 12.741 -13.122 -3.153 1.00 0.00 H new ATOM 0 HB3 GLN B 54 13.161 -14.392 -4.285 1.00 0.00 H new ATOM 0 HG2 GLN B 54 11.695 -14.776 -1.654 1.00 0.00 H new ATOM 0 HG3 GLN B 54 10.961 -14.774 -3.245 1.00 0.00 H new ATOM 0 HE21 GLN B 54 11.283 -16.535 -4.672 1.00 0.00 H new ATOM 0 HE22 GLN B 54 11.903 -18.083 -4.090 1.00 0.00 H new ATOM 1837 N LYS B 55 16.530 -14.381 -3.475 1.00 0.00 N ATOM 1838 CA LYS B 55 17.689 -13.824 -4.149 1.00 0.00 C ATOM 1839 C LYS B 55 17.575 -14.060 -5.648 1.00 0.00 C ATOM 1840 O LYS B 55 17.670 -15.193 -6.119 1.00 0.00 O ATOM 1841 CB LYS B 55 18.968 -14.458 -3.605 1.00 0.00 C ATOM 1842 CG LYS B 55 19.132 -14.285 -2.103 1.00 0.00 C ATOM 1843 CD LYS B 55 20.322 -15.065 -1.563 1.00 0.00 C ATOM 1844 CE LYS B 55 20.201 -16.553 -1.856 1.00 0.00 C ATOM 1845 NZ LYS B 55 21.186 -17.352 -1.083 1.00 0.00 N ATOM 0 H LYS B 55 16.616 -15.371 -3.246 1.00 0.00 H new ATOM 0 HA LYS B 55 17.730 -12.751 -3.964 1.00 0.00 H new ATOM 0 HB2 LYS B 55 18.968 -15.522 -3.844 1.00 0.00 H new ATOM 0 HB3 LYS B 55 19.827 -14.018 -4.111 1.00 0.00 H new ATOM 0 HG2 LYS B 55 19.258 -13.227 -1.872 1.00 0.00 H new ATOM 0 HG3 LYS B 55 18.224 -14.616 -1.599 1.00 0.00 H new ATOM 0 HD2 LYS B 55 21.240 -14.681 -2.007 1.00 0.00 H new ATOM 0 HD3 LYS B 55 20.399 -14.911 -0.487 1.00 0.00 H new ATOM 0 HE2 LYS B 55 19.192 -16.889 -1.616 1.00 0.00 H new ATOM 0 HE3 LYS B 55 20.350 -16.726 -2.922 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 21.071 -18.360 -1.311 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 22.150 -17.049 -1.331 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 21.028 -17.207 -0.065 1.00 0.00 H new ATOM 1859 N LYS B 56 17.361 -12.990 -6.387 1.00 0.00 N ATOM 1860 CA LYS B 56 17.125 -13.089 -7.815 1.00 0.00 C ATOM 1861 C LYS B 56 18.416 -12.854 -8.593 1.00 0.00 C ATOM 1862 O LYS B 56 18.934 -13.823 -9.187 1.00 0.00 O ATOM 1863 CB LYS B 56 16.041 -12.092 -8.231 1.00 0.00 C ATOM 1864 CG LYS B 56 15.720 -12.102 -9.715 1.00 0.00 C ATOM 1865 CD LYS B 56 14.465 -11.296 -10.006 1.00 0.00 C ATOM 1866 CE LYS B 56 14.280 -11.065 -11.495 1.00 0.00 C ATOM 1867 NZ LYS B 56 15.381 -10.243 -12.061 1.00 0.00 N ATOM 1868 OXT LYS B 56 18.930 -11.716 -8.577 1.00 0.00 O ATOM 0 H LYS B 56 17.346 -12.038 -6.021 1.00 0.00 H new ATOM 0 HA LYS B 56 16.779 -14.096 -8.048 1.00 0.00 H new ATOM 0 HB2 LYS B 56 15.130 -12.309 -7.673 1.00 0.00 H new ATOM 0 HB3 LYS B 56 16.358 -11.089 -7.946 1.00 0.00 H new ATOM 0 HG2 LYS B 56 16.559 -11.690 -10.275 1.00 0.00 H new ATOM 0 HG3 LYS B 56 15.584 -13.129 -10.054 1.00 0.00 H new ATOM 0 HD2 LYS B 56 13.596 -11.819 -9.608 1.00 0.00 H new ATOM 0 HD3 LYS B 56 14.522 -10.336 -9.493 1.00 0.00 H new ATOM 0 HE2 LYS B 56 14.239 -12.025 -12.011 1.00 0.00 H new ATOM 0 HE3 LYS B 56 13.326 -10.568 -11.671 1.00 0.00 H new ATOM 0 HZ1 LYS B 56 15.073 -9.823 -12.961 1.00 0.00 H new ATOM 0 HZ2 LYS B 56 15.628 -9.486 -11.392 1.00 0.00 H new ATOM 0 HZ3 LYS B 56 16.213 -10.844 -12.226 1.00 0.00 H new TER 1882 LYS B 56