USER MOD reduce.3.24.130724 H: found=0, std=0, add=956, rem=0, adj=34 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 Set 1.1: A 19 GLN :FLIP amide:sc= -3.06 F(o=-12!,f=-4.1) USER MOD Set 1.2: B 9 ASN : amide:sc= -1.09 K(o=-4.1,f=-7.7!) USER MOD Set 2.1: A 6 LYS NZ :NH3+ -118:sc= 1.34 (180deg=-0.576) USER MOD Set 2.2: B 19 GLN : amide:sc= 0.24 K(o=1.6,f=-13!) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= -1.36 K(o=-1.4,f=-4.7!) USER MOD Single : A 12 LYS NZ :NH3+ 164:sc= -0.0905 (180deg=-0.411) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 HIS : no HD1:sc= -1.82 X(o=-1.8,f=-1.3) USER MOD Single : A 26 MET CE :methyl -132:sc= 0 (180deg=-1.5) USER MOD Single : A 30 LYS NZ :NH3+ 163:sc= -0.0371 (180deg=-0.382) USER MOD Single : A 32 LYS NZ :NH3+ -143:sc= 1.27 (180deg=0.209) USER MOD Single : A 33 ASN : amide:sc= -0.207 K(o=-0.21,f=-1) USER MOD Single : A 35 THR OG1 : rot -71:sc= 0.578 USER MOD Single : A 37 SER OG : rot 175:sc= -2.17! USER MOD Single : A 40 CYS SG : rot 180:sc= -11.6! USER MOD Single : A 45 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0747) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -0.145 K(o=-0.14,f=-1.1!) USER MOD Single : A 51 HIS : no HD1:sc= 0.0101 X(o=0.01,f=-0.09) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN :FLIP amide:sc= -0.173 F(o=-1.9!,f=-0.17) USER MOD Single : A 55 LYS NZ :NH3+ 151:sc= 1.01 (180deg=0.0392) USER MOD Single : A 56 LYS NZ :NH3+ 167:sc= -0.0192 (180deg=-0.203) USER MOD Single : B 5 TYR OH : rot 180:sc= 0 USER MOD Single : B 6 LYS NZ :NH3+ -169:sc= -0.0426 (180deg=-0.237) USER MOD Single : B 12 LYS NZ :NH3+ 156:sc= -0.159 (180deg=-0.74) USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 22 HIS : no HE2:sc= -3.17 K(o=-3.2,f=-4.2!) USER MOD Single : B 26 MET CE :methyl 175:sc= -1.49 (180deg=-1.58) USER MOD Single : B 30 LYS NZ :NH3+ 161:sc= -0.0604 (180deg=-0.459) USER MOD Single : B 32 LYS NZ :NH3+ 166:sc= -0.0851 (180deg=-0.411) USER MOD Single : B 33 ASN : amide:sc= -0.198 K(o=-0.2,f=-0.76) USER MOD Single : B 35 THR OG1 : rot -90:sc= 1.53 USER MOD Single : B 37 SER OG : rot 109:sc= -5.04! USER MOD Single : B 40 CYS SG : rot 77:sc= 0.969 USER MOD Single : B 45 LYS NZ :NH3+ -168:sc= -0.0498 (180deg=-0.305) USER MOD Single : B 47 TYR OH : rot 180:sc= 0 USER MOD Single : B 50 ASN : amide:sc= 1.56 K(o=1.6,f=-0.57) USER MOD Single : B 51 HIS :FLIP no HD1:sc= -0.821 F(o=-1.3,f=-0.82) USER MOD Single : B 53 LYS NZ :NH3+ -162:sc= -0.0408 (180deg=-0.326) USER MOD Single : B 54 GLN :FLIP amide:sc= -0.0132 F(o=-1.2,f=-0.013) USER MOD Single : B 55 LYS NZ :NH3+ -166:sc=-0.00178 (180deg=-0.331!) USER MOD Single : B 56 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0465) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 2 -14.508 14.506 -10.521 1.00 0.00 N ATOM 2 CA GLY A 2 -15.904 14.024 -10.383 1.00 0.00 C ATOM 3 C GLY A 2 -16.106 13.251 -9.097 1.00 0.00 C ATOM 4 O GLY A 2 -15.222 13.226 -8.239 1.00 0.00 O ATOM 0 HA2 GLY A 2 -16.586 14.874 -10.408 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -16.155 13.389 -11.232 1.00 0.00 H new ATOM 10 N ARG A 3 -17.254 12.607 -8.967 1.00 0.00 N ATOM 11 CA ARG A 3 -17.585 11.874 -7.752 1.00 0.00 C ATOM 12 C ARG A 3 -17.909 10.412 -8.061 1.00 0.00 C ATOM 13 O ARG A 3 -18.937 10.101 -8.669 1.00 0.00 O ATOM 14 CB ARG A 3 -18.763 12.533 -7.029 1.00 0.00 C ATOM 15 CG ARG A 3 -19.954 12.805 -7.934 1.00 0.00 C ATOM 16 CD ARG A 3 -21.180 13.230 -7.146 1.00 0.00 C ATOM 17 NE ARG A 3 -22.281 13.611 -8.029 1.00 0.00 N ATOM 18 CZ ARG A 3 -23.558 13.683 -7.655 1.00 0.00 C ATOM 19 NH1 ARG A 3 -23.926 13.371 -6.413 1.00 0.00 N ATOM 20 NH2 ARG A 3 -24.470 14.071 -8.530 1.00 0.00 N ATOM 0 H ARG A 3 -17.975 12.576 -9.688 1.00 0.00 H new ATOM 0 HA ARG A 3 -16.712 11.900 -7.099 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -19.080 11.891 -6.207 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -18.429 13.473 -6.589 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -19.695 13.585 -8.650 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -20.185 11.908 -8.509 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -21.498 12.413 -6.498 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -20.925 14.069 -6.499 1.00 0.00 H new ATOM 0 HE ARG A 3 -22.056 13.837 -8.998 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -23.226 13.072 -5.734 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -24.907 13.431 -6.142 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -24.194 14.312 -9.482 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -25.450 14.129 -8.253 1.00 0.00 H new ATOM 34 N PRO A 4 -17.016 9.496 -7.666 1.00 0.00 N ATOM 35 CA PRO A 4 -17.220 8.065 -7.815 1.00 0.00 C ATOM 36 C PRO A 4 -17.976 7.461 -6.629 1.00 0.00 C ATOM 37 O PRO A 4 -17.446 7.384 -5.521 1.00 0.00 O ATOM 38 CB PRO A 4 -15.788 7.503 -7.888 1.00 0.00 C ATOM 39 CG PRO A 4 -14.864 8.644 -7.571 1.00 0.00 C ATOM 40 CD PRO A 4 -15.715 9.777 -7.065 1.00 0.00 C ATOM 0 HA PRO A 4 -17.827 7.828 -8.689 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -15.655 6.687 -7.177 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -15.580 7.099 -8.879 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -14.131 8.348 -6.821 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -14.308 8.947 -8.458 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -15.766 9.790 -5.976 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -15.326 10.746 -7.377 1.00 0.00 H new ATOM 48 N TYR A 5 -19.231 7.076 -6.880 1.00 0.00 N ATOM 49 CA TYR A 5 -20.068 6.345 -5.917 1.00 0.00 C ATOM 50 C TYR A 5 -20.316 7.119 -4.621 1.00 0.00 C ATOM 51 O TYR A 5 -21.371 7.728 -4.443 1.00 0.00 O ATOM 52 CB TYR A 5 -19.456 4.980 -5.589 1.00 0.00 C ATOM 53 CG TYR A 5 -19.283 4.082 -6.790 1.00 0.00 C ATOM 54 CD1 TYR A 5 -20.365 3.399 -7.330 1.00 0.00 C ATOM 55 CD2 TYR A 5 -18.037 3.913 -7.376 1.00 0.00 C ATOM 56 CE1 TYR A 5 -20.208 2.571 -8.425 1.00 0.00 C ATOM 57 CE2 TYR A 5 -17.871 3.090 -8.470 1.00 0.00 C ATOM 58 CZ TYR A 5 -18.960 2.421 -8.990 1.00 0.00 C ATOM 59 OH TYR A 5 -18.794 1.594 -10.077 1.00 0.00 O ATOM 0 H TYR A 5 -19.701 7.264 -7.765 1.00 0.00 H new ATOM 0 HA TYR A 5 -21.034 6.211 -6.404 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -18.485 5.132 -5.119 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -20.088 4.475 -4.859 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -21.343 3.517 -6.888 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -17.183 4.434 -6.969 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -21.057 2.045 -8.835 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -16.895 2.970 -8.917 1.00 0.00 H new ATOM 0 HH TYR A 5 -17.854 1.602 -10.353 1.00 0.00 H new ATOM 69 N LYS A 6 -19.338 7.095 -3.730 1.00 0.00 N ATOM 70 CA LYS A 6 -19.491 7.649 -2.393 1.00 0.00 C ATOM 71 C LYS A 6 -19.172 9.136 -2.417 1.00 0.00 C ATOM 72 O LYS A 6 -20.065 9.982 -2.336 1.00 0.00 O ATOM 73 CB LYS A 6 -18.545 6.925 -1.425 1.00 0.00 C ATOM 74 CG LYS A 6 -18.582 5.408 -1.550 1.00 0.00 C ATOM 75 CD LYS A 6 -19.707 4.798 -0.732 1.00 0.00 C ATOM 76 CE LYS A 6 -19.357 4.758 0.749 1.00 0.00 C ATOM 77 NZ LYS A 6 -18.265 3.787 1.041 1.00 0.00 N ATOM 0 H LYS A 6 -18.418 6.693 -3.911 1.00 0.00 H new ATOM 0 HA LYS A 6 -20.519 7.511 -2.058 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -17.526 7.270 -1.601 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -18.804 7.203 -0.403 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -18.705 5.133 -2.598 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -17.629 4.994 -1.222 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -20.619 5.377 -0.876 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -19.911 3.788 -1.087 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -19.054 5.753 1.076 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -20.244 4.489 1.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -18.621 3.046 1.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -17.939 3.354 0.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -17.472 4.283 1.496 1.00 0.00 H new ATOM 91 N LEU A 7 -17.891 9.434 -2.530 1.00 0.00 N ATOM 92 CA LEU A 7 -17.417 10.798 -2.680 1.00 0.00 C ATOM 93 C LEU A 7 -16.087 10.768 -3.418 1.00 0.00 C ATOM 94 O LEU A 7 -15.930 11.392 -4.462 1.00 0.00 O ATOM 95 CB LEU A 7 -17.290 11.524 -1.322 1.00 0.00 C ATOM 96 CG LEU A 7 -16.252 10.976 -0.330 1.00 0.00 C ATOM 97 CD1 LEU A 7 -15.958 12.015 0.738 1.00 0.00 C ATOM 98 CD2 LEU A 7 -16.738 9.689 0.322 1.00 0.00 C ATOM 0 H LEU A 7 -17.148 8.736 -2.520 1.00 0.00 H new ATOM 0 HA LEU A 7 -18.148 11.366 -3.256 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -17.052 12.569 -1.518 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -18.265 11.505 -0.836 1.00 0.00 H new ATOM 0 HG LEU A 7 -15.340 10.754 -0.883 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -15.222 11.619 1.437 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -15.565 12.917 0.269 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -16.876 12.255 1.275 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -15.982 9.326 1.018 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -17.665 9.882 0.861 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -16.915 8.936 -0.446 1.00 0.00 H new ATOM 110 N LEU A 8 -15.145 10.010 -2.865 1.00 0.00 N ATOM 111 CA LEU A 8 -13.850 9.772 -3.487 1.00 0.00 C ATOM 112 C LEU A 8 -13.322 8.406 -3.062 1.00 0.00 C ATOM 113 O LEU A 8 -13.027 8.193 -1.887 1.00 0.00 O ATOM 114 CB LEU A 8 -12.835 10.852 -3.079 1.00 0.00 C ATOM 115 CG LEU A 8 -13.062 12.246 -3.671 1.00 0.00 C ATOM 116 CD1 LEU A 8 -12.085 13.240 -3.061 1.00 0.00 C ATOM 117 CD2 LEU A 8 -12.912 12.214 -5.186 1.00 0.00 C ATOM 0 H LEU A 8 -15.261 9.541 -1.967 1.00 0.00 H new ATOM 0 HA LEU A 8 -13.981 9.805 -4.569 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -12.841 10.935 -1.992 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -11.840 10.514 -3.368 1.00 0.00 H new ATOM 0 HG LEU A 8 -14.077 12.564 -3.434 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -12.256 14.228 -3.489 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -12.234 13.282 -1.982 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -11.064 12.924 -3.274 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -13.077 13.213 -5.589 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -11.908 11.879 -5.445 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -13.644 11.527 -5.610 1.00 0.00 H new ATOM 129 N ASN A 9 -13.202 7.483 -4.007 1.00 0.00 N ATOM 130 CA ASN A 9 -12.645 6.164 -3.707 1.00 0.00 C ATOM 131 C ASN A 9 -11.125 6.213 -3.760 1.00 0.00 C ATOM 132 O ASN A 9 -10.474 5.316 -4.295 1.00 0.00 O ATOM 133 CB ASN A 9 -13.168 5.095 -4.670 1.00 0.00 C ATOM 134 CG ASN A 9 -14.670 4.919 -4.597 1.00 0.00 C ATOM 135 OD1 ASN A 9 -15.411 5.546 -5.343 1.00 0.00 O ATOM 136 ND2 ASN A 9 -15.131 4.071 -3.689 1.00 0.00 N ATOM 0 H ASN A 9 -13.479 7.618 -4.979 1.00 0.00 H new ATOM 0 HA ASN A 9 -12.965 5.891 -2.701 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -12.888 5.363 -5.689 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -12.685 4.144 -4.446 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -16.136 3.922 -3.594 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -14.481 3.567 -3.086 1.00 0.00 H new ATOM 143 N GLY A 10 -10.577 7.276 -3.196 1.00 0.00 N ATOM 144 CA GLY A 10 -9.144 7.457 -3.127 1.00 0.00 C ATOM 145 C GLY A 10 -8.791 8.540 -2.137 1.00 0.00 C ATOM 146 O GLY A 10 -8.950 9.729 -2.420 1.00 0.00 O ATOM 0 H GLY A 10 -11.115 8.034 -2.775 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -8.668 6.521 -2.835 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -8.757 7.718 -4.112 1.00 0.00 H new ATOM 150 N ILE A 11 -8.330 8.132 -0.967 1.00 0.00 N ATOM 151 CA ILE A 11 -8.013 9.067 0.101 1.00 0.00 C ATOM 152 C ILE A 11 -6.517 9.001 0.397 1.00 0.00 C ATOM 153 O ILE A 11 -5.889 7.957 0.192 1.00 0.00 O ATOM 154 CB ILE A 11 -8.825 8.753 1.385 1.00 0.00 C ATOM 155 CG1 ILE A 11 -10.308 8.529 1.061 1.00 0.00 C ATOM 156 CG2 ILE A 11 -8.679 9.875 2.407 1.00 0.00 C ATOM 157 CD1 ILE A 11 -11.000 9.750 0.488 1.00 0.00 C ATOM 0 H ILE A 11 -8.166 7.153 -0.731 1.00 0.00 H new ATOM 0 HA ILE A 11 -8.283 10.072 -0.224 1.00 0.00 H new ATOM 0 HB ILE A 11 -8.422 7.835 1.812 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -10.395 7.707 0.351 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -10.826 8.222 1.969 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -9.257 9.632 3.299 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -7.629 9.988 2.675 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -9.047 10.807 1.979 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -12.045 9.514 0.285 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -10.946 10.569 1.205 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -10.508 10.046 -0.438 1.00 0.00 H new ATOM 169 N LYS A 12 -5.959 10.090 0.912 1.00 0.00 N ATOM 170 CA LYS A 12 -4.515 10.222 1.038 1.00 0.00 C ATOM 171 C LYS A 12 -4.067 9.926 2.462 1.00 0.00 C ATOM 172 O LYS A 12 -4.670 10.387 3.429 1.00 0.00 O ATOM 173 CB LYS A 12 -4.088 11.638 0.631 1.00 0.00 C ATOM 174 CG LYS A 12 -2.594 11.805 0.369 1.00 0.00 C ATOM 175 CD LYS A 12 -1.797 12.027 1.645 1.00 0.00 C ATOM 176 CE LYS A 12 -0.322 12.244 1.345 1.00 0.00 C ATOM 177 NZ LYS A 12 -0.098 13.414 0.451 1.00 0.00 N ATOM 0 H LYS A 12 -6.487 10.895 1.249 1.00 0.00 H new ATOM 0 HA LYS A 12 -4.039 9.498 0.376 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -4.634 11.923 -0.268 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -4.385 12.332 1.417 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -2.217 10.918 -0.141 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -2.439 12.649 -0.303 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -2.193 12.892 2.178 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -1.914 11.166 2.303 1.00 0.00 H new ATOM 0 HE2 LYS A 12 0.219 12.393 2.279 1.00 0.00 H new ATOM 0 HE3 LYS A 12 0.088 11.348 0.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 0.903 13.692 0.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -0.351 13.159 -0.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -0.690 14.209 0.765 1.00 0.00 H new ATOM 191 N LEU A 13 -3.008 9.143 2.563 1.00 0.00 N ATOM 192 CA LEU A 13 -2.447 8.743 3.839 1.00 0.00 C ATOM 193 C LEU A 13 -0.930 8.862 3.791 1.00 0.00 C ATOM 194 O LEU A 13 -0.357 9.028 2.717 1.00 0.00 O ATOM 195 CB LEU A 13 -2.866 7.307 4.197 1.00 0.00 C ATOM 196 CG LEU A 13 -2.624 6.242 3.117 1.00 0.00 C ATOM 197 CD1 LEU A 13 -2.598 4.857 3.742 1.00 0.00 C ATOM 198 CD2 LEU A 13 -3.702 6.305 2.038 1.00 0.00 C ATOM 0 H LEU A 13 -2.511 8.765 1.757 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.832 9.405 4.614 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -2.331 7.009 5.099 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -3.928 7.311 4.443 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.659 6.443 2.652 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -2.426 4.111 2.966 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.797 4.806 4.479 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.553 4.660 4.229 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.508 5.541 1.285 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.679 6.130 2.489 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.690 7.289 1.568 1.00 0.00 H new ATOM 210 N GLY A 14 -0.288 8.790 4.944 1.00 0.00 N ATOM 211 CA GLY A 14 1.151 8.936 4.993 1.00 0.00 C ATOM 212 C GLY A 14 1.786 8.022 6.018 1.00 0.00 C ATOM 213 O GLY A 14 1.398 8.022 7.191 1.00 0.00 O ATOM 0 H GLY A 14 -0.736 8.633 5.847 1.00 0.00 H new ATOM 0 HA2 GLY A 14 1.569 8.722 4.010 1.00 0.00 H new ATOM 0 HA3 GLY A 14 1.401 9.971 5.227 1.00 0.00 H new ATOM 217 N VAL A 15 2.753 7.236 5.579 1.00 0.00 N ATOM 218 CA VAL A 15 3.423 6.292 6.454 1.00 0.00 C ATOM 219 C VAL A 15 4.868 6.732 6.695 1.00 0.00 C ATOM 220 O VAL A 15 5.509 7.286 5.801 1.00 0.00 O ATOM 221 CB VAL A 15 3.359 4.845 5.882 1.00 0.00 C ATOM 222 CG1 VAL A 15 4.070 3.860 6.796 1.00 0.00 C ATOM 223 CG2 VAL A 15 1.908 4.436 5.674 1.00 0.00 C ATOM 0 H VAL A 15 3.093 7.234 4.617 1.00 0.00 H new ATOM 0 HA VAL A 15 2.902 6.281 7.412 1.00 0.00 H new ATOM 0 HB VAL A 15 3.873 4.831 4.921 1.00 0.00 H new ATOM 0 HG11 VAL A 15 4.008 2.859 6.370 1.00 0.00 H new ATOM 0 HG12 VAL A 15 5.117 4.148 6.897 1.00 0.00 H new ATOM 0 HG13 VAL A 15 3.596 3.867 7.777 1.00 0.00 H new ATOM 0 HG21 VAL A 15 1.869 3.423 5.274 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.380 4.470 6.627 1.00 0.00 H new ATOM 0 HG23 VAL A 15 1.434 5.122 4.972 1.00 0.00 H new ATOM 233 N TYR A 16 5.347 6.544 7.923 1.00 0.00 N ATOM 234 CA TYR A 16 6.732 6.859 8.269 1.00 0.00 C ATOM 235 C TYR A 16 7.555 5.592 8.388 1.00 0.00 C ATOM 236 O TYR A 16 7.233 4.710 9.187 1.00 0.00 O ATOM 237 CB TYR A 16 6.824 7.612 9.595 1.00 0.00 C ATOM 238 CG TYR A 16 7.099 9.088 9.448 1.00 0.00 C ATOM 239 CD1 TYR A 16 7.915 9.546 8.431 1.00 0.00 C ATOM 240 CD2 TYR A 16 6.575 10.016 10.338 1.00 0.00 C ATOM 241 CE1 TYR A 16 8.204 10.882 8.292 1.00 0.00 C ATOM 242 CE2 TYR A 16 6.855 11.364 10.203 1.00 0.00 C ATOM 243 CZ TYR A 16 7.673 11.790 9.179 1.00 0.00 C ATOM 244 OH TYR A 16 7.974 13.125 9.052 1.00 0.00 O ATOM 0 H TYR A 16 4.795 6.174 8.697 1.00 0.00 H new ATOM 0 HA TYR A 16 7.120 7.489 7.469 1.00 0.00 H new ATOM 0 HB2 TYR A 16 5.890 7.480 10.141 1.00 0.00 H new ATOM 0 HB3 TYR A 16 7.613 7.165 10.200 1.00 0.00 H new ATOM 0 HD1 TYR A 16 8.334 8.839 7.731 1.00 0.00 H new ATOM 0 HD2 TYR A 16 5.941 9.681 11.146 1.00 0.00 H new ATOM 0 HE1 TYR A 16 8.845 11.218 7.490 1.00 0.00 H new ATOM 0 HE2 TYR A 16 6.435 12.078 10.896 1.00 0.00 H new ATOM 0 HH TYR A 16 7.518 13.632 9.756 1.00 0.00 H new ATOM 254 N ILE A 17 8.619 5.504 7.606 1.00 0.00 N ATOM 255 CA ILE A 17 9.504 4.351 7.655 1.00 0.00 C ATOM 256 C ILE A 17 10.960 4.783 7.495 1.00 0.00 C ATOM 257 O ILE A 17 11.234 5.864 6.973 1.00 0.00 O ATOM 258 CB ILE A 17 9.134 3.309 6.576 1.00 0.00 C ATOM 259 CG1 ILE A 17 9.246 3.907 5.175 1.00 0.00 C ATOM 260 CG2 ILE A 17 7.725 2.781 6.815 1.00 0.00 C ATOM 261 CD1 ILE A 17 8.868 2.931 4.086 1.00 0.00 C ATOM 0 H ILE A 17 8.891 6.217 6.930 1.00 0.00 H new ATOM 0 HA ILE A 17 9.381 3.883 8.632 1.00 0.00 H new ATOM 0 HB ILE A 17 9.839 2.481 6.647 1.00 0.00 H new ATOM 0 HG12 ILE A 17 8.603 4.785 5.108 1.00 0.00 H new ATOM 0 HG13 ILE A 17 10.269 4.247 5.012 1.00 0.00 H new ATOM 0 HG21 ILE A 17 7.476 2.048 6.048 1.00 0.00 H new ATOM 0 HG22 ILE A 17 7.674 2.311 7.797 1.00 0.00 H new ATOM 0 HG23 ILE A 17 7.015 3.607 6.771 1.00 0.00 H new ATOM 0 HD11 ILE A 17 8.968 3.414 3.114 1.00 0.00 H new ATOM 0 HD12 ILE A 17 9.527 2.064 4.130 1.00 0.00 H new ATOM 0 HD13 ILE A 17 7.836 2.610 4.227 1.00 0.00 H new ATOM 273 N PRO A 18 11.910 3.963 7.979 1.00 0.00 N ATOM 274 CA PRO A 18 13.350 4.264 7.905 1.00 0.00 C ATOM 275 C PRO A 18 13.858 4.419 6.469 1.00 0.00 C ATOM 276 O PRO A 18 13.166 4.084 5.503 1.00 0.00 O ATOM 277 CB PRO A 18 14.006 3.048 8.565 1.00 0.00 C ATOM 278 CG PRO A 18 12.936 2.434 9.398 1.00 0.00 C ATOM 279 CD PRO A 18 11.656 2.681 8.658 1.00 0.00 C ATOM 0 HA PRO A 18 13.580 5.214 8.388 1.00 0.00 H new ATOM 0 HB2 PRO A 18 14.376 2.346 7.818 1.00 0.00 H new ATOM 0 HB3 PRO A 18 14.860 3.343 9.175 1.00 0.00 H new ATOM 0 HG2 PRO A 18 13.110 1.367 9.535 1.00 0.00 H new ATOM 0 HG3 PRO A 18 12.907 2.882 10.391 1.00 0.00 H new ATOM 0 HD2 PRO A 18 11.440 1.883 7.947 1.00 0.00 H new ATOM 0 HD3 PRO A 18 10.804 2.744 9.335 1.00 0.00 H new ATOM 287 N GLN A 19 15.090 4.906 6.335 1.00 0.00 N ATOM 288 CA GLN A 19 15.675 5.150 5.023 1.00 0.00 C ATOM 289 C GLN A 19 16.109 3.829 4.403 1.00 0.00 C ATOM 290 O GLN A 19 16.041 3.654 3.192 1.00 0.00 O ATOM 291 CB GLN A 19 16.866 6.109 5.123 1.00 0.00 C ATOM 292 CG GLN A 19 18.165 5.441 5.545 1.00 0.00 C ATOM 293 CD GLN A 19 19.262 6.439 5.854 1.00 0.00 C ATOM 294 OE1 GLN A 19 19.377 6.822 7.113 1.00 0.00 O flip ATOM 295 NE2 GLN A 19 20.013 6.847 4.973 1.00 0.00 N flip ATOM 0 H GLN A 19 15.700 5.138 7.119 1.00 0.00 H new ATOM 0 HA GLN A 19 14.922 5.616 4.387 1.00 0.00 H new ATOM 0 HB2 GLN A 19 17.014 6.590 4.156 1.00 0.00 H new ATOM 0 HB3 GLN A 19 16.626 6.897 5.837 1.00 0.00 H new ATOM 0 HG2 GLN A 19 17.982 4.824 6.425 1.00 0.00 H new ATOM 0 HG3 GLN A 19 18.500 4.773 4.751 1.00 0.00 H new ATOM 0 HE21 GLN A 19 19.892 6.528 4.012 1.00 0.00 H new ATOM 0 HE22 GLN A 19 20.758 7.505 5.202 1.00 0.00 H new ATOM 304 N GLU A 20 16.562 2.910 5.256 1.00 0.00 N ATOM 305 CA GLU A 20 16.884 1.543 4.842 1.00 0.00 C ATOM 306 C GLU A 20 15.680 0.917 4.140 1.00 0.00 C ATOM 307 O GLU A 20 15.819 0.145 3.191 1.00 0.00 O ATOM 308 CB GLU A 20 17.271 0.682 6.054 1.00 0.00 C ATOM 309 CG GLU A 20 18.257 1.339 7.013 1.00 0.00 C ATOM 310 CD GLU A 20 17.576 2.224 8.044 1.00 0.00 C ATOM 311 OE1 GLU A 20 17.299 3.403 7.737 1.00 0.00 O ATOM 312 OE2 GLU A 20 17.312 1.737 9.164 1.00 0.00 O ATOM 0 H GLU A 20 16.716 3.090 6.248 1.00 0.00 H new ATOM 0 HA GLU A 20 17.730 1.584 4.157 1.00 0.00 H new ATOM 0 HB2 GLU A 20 16.366 0.426 6.604 1.00 0.00 H new ATOM 0 HB3 GLU A 20 17.702 -0.253 5.696 1.00 0.00 H new ATOM 0 HG2 GLU A 20 18.828 0.565 7.526 1.00 0.00 H new ATOM 0 HG3 GLU A 20 18.969 1.935 6.442 1.00 0.00 H new ATOM 319 N TRP A 21 14.501 1.317 4.589 1.00 0.00 N ATOM 320 CA TRP A 21 13.257 0.848 4.020 1.00 0.00 C ATOM 321 C TRP A 21 13.004 1.566 2.714 1.00 0.00 C ATOM 322 O TRP A 21 12.888 0.947 1.668 1.00 0.00 O ATOM 323 CB TRP A 21 12.104 1.181 4.955 1.00 0.00 C ATOM 324 CG TRP A 21 11.739 0.133 5.954 1.00 0.00 C ATOM 325 CD1 TRP A 21 12.552 -0.559 6.805 1.00 0.00 C ATOM 326 CD2 TRP A 21 10.413 -0.290 6.227 1.00 0.00 C ATOM 327 NE1 TRP A 21 11.792 -1.398 7.592 1.00 0.00 N ATOM 328 CE2 TRP A 21 10.469 -1.246 7.250 1.00 0.00 C ATOM 329 CE3 TRP A 21 9.180 0.056 5.687 1.00 0.00 C ATOM 330 CZ2 TRP A 21 9.316 -1.856 7.748 1.00 0.00 C ATOM 331 CZ3 TRP A 21 8.050 -0.539 6.176 1.00 0.00 C ATOM 332 CH2 TRP A 21 8.115 -1.481 7.192 1.00 0.00 C ATOM 0 H TRP A 21 14.384 1.976 5.359 1.00 0.00 H new ATOM 0 HA TRP A 21 13.326 -0.229 3.868 1.00 0.00 H new ATOM 0 HB2 TRP A 21 12.353 2.095 5.494 1.00 0.00 H new ATOM 0 HB3 TRP A 21 11.224 1.398 4.349 1.00 0.00 H new ATOM 0 HD1 TRP A 21 13.627 -0.464 6.854 1.00 0.00 H new ATOM 0 HE1 TRP A 21 12.152 -2.027 8.309 1.00 0.00 H new ATOM 0 HE3 TRP A 21 9.115 0.785 4.892 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 9.365 -2.592 8.537 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 7.089 -0.270 5.763 1.00 0.00 H new ATOM 0 HH2 TRP A 21 7.202 -1.930 7.555 1.00 0.00 H new ATOM 343 N HIS A 22 12.951 2.890 2.802 1.00 0.00 N ATOM 344 CA HIS A 22 12.668 3.745 1.658 1.00 0.00 C ATOM 345 C HIS A 22 13.558 3.390 0.474 1.00 0.00 C ATOM 346 O HIS A 22 13.080 3.247 -0.646 1.00 0.00 O ATOM 347 CB HIS A 22 12.881 5.209 2.049 1.00 0.00 C ATOM 348 CG HIS A 22 12.359 6.199 1.052 1.00 0.00 C ATOM 349 ND1 HIS A 22 13.140 6.782 0.082 1.00 0.00 N ATOM 350 CD2 HIS A 22 11.125 6.728 0.903 1.00 0.00 C ATOM 351 CE1 HIS A 22 12.410 7.630 -0.616 1.00 0.00 C ATOM 352 NE2 HIS A 22 11.178 7.620 -0.139 1.00 0.00 N ATOM 0 H HIS A 22 13.104 3.401 3.671 1.00 0.00 H new ATOM 0 HA HIS A 22 11.631 3.591 1.360 1.00 0.00 H new ATOM 0 HB2 HIS A 22 12.398 5.390 3.009 1.00 0.00 H new ATOM 0 HB3 HIS A 22 13.948 5.383 2.191 1.00 0.00 H new ATOM 0 HD2 HIS A 22 10.254 6.492 1.496 1.00 0.00 H new ATOM 0 HE1 HIS A 22 12.761 8.233 -1.441 1.00 0.00 H new ATOM 0 HE2 HIS A 22 10.399 8.180 -0.486 1.00 0.00 H new ATOM 361 N ASP A 23 14.847 3.251 0.745 1.00 0.00 N ATOM 362 CA ASP A 23 15.835 2.967 -0.286 1.00 0.00 C ATOM 363 C ASP A 23 15.639 1.591 -0.919 1.00 0.00 C ATOM 364 O ASP A 23 15.525 1.478 -2.137 1.00 0.00 O ATOM 365 CB ASP A 23 17.243 3.080 0.291 1.00 0.00 C ATOM 366 CG ASP A 23 18.309 2.806 -0.743 1.00 0.00 C ATOM 367 OD1 ASP A 23 18.495 3.646 -1.648 1.00 0.00 O ATOM 368 OD2 ASP A 23 18.967 1.754 -0.648 1.00 0.00 O ATOM 0 H ASP A 23 15.238 3.332 1.684 1.00 0.00 H new ATOM 0 HA ASP A 23 15.699 3.708 -1.074 1.00 0.00 H new ATOM 0 HB2 ASP A 23 17.386 4.080 0.701 1.00 0.00 H new ATOM 0 HB3 ASP A 23 17.352 2.378 1.117 1.00 0.00 H new ATOM 373 N ARG A 24 15.562 0.549 -0.094 1.00 0.00 N ATOM 374 CA ARG A 24 15.499 -0.820 -0.610 1.00 0.00 C ATOM 375 C ARG A 24 14.145 -1.094 -1.234 1.00 0.00 C ATOM 376 O ARG A 24 14.045 -1.814 -2.228 1.00 0.00 O ATOM 377 CB ARG A 24 15.772 -1.840 0.501 1.00 0.00 C ATOM 378 CG ARG A 24 17.247 -2.077 0.807 1.00 0.00 C ATOM 379 CD ARG A 24 17.981 -0.797 1.182 1.00 0.00 C ATOM 380 NE ARG A 24 19.185 -1.066 1.967 1.00 0.00 N ATOM 381 CZ ARG A 24 20.118 -0.156 2.251 1.00 0.00 C ATOM 382 NH1 ARG A 24 20.065 1.057 1.708 1.00 0.00 N ATOM 383 NH2 ARG A 24 21.130 -0.475 3.044 1.00 0.00 N ATOM 0 H ARG A 24 15.542 0.622 0.923 1.00 0.00 H new ATOM 0 HA ARG A 24 16.270 -0.922 -1.374 1.00 0.00 H new ATOM 0 HB2 ARG A 24 15.276 -1.505 1.412 1.00 0.00 H new ATOM 0 HB3 ARG A 24 15.317 -2.790 0.222 1.00 0.00 H new ATOM 0 HG2 ARG A 24 17.334 -2.794 1.624 1.00 0.00 H new ATOM 0 HG3 ARG A 24 17.727 -2.525 -0.063 1.00 0.00 H new ATOM 0 HD2 ARG A 24 18.253 -0.256 0.276 1.00 0.00 H new ATOM 0 HD3 ARG A 24 17.314 -0.150 1.752 1.00 0.00 H new ATOM 0 HE ARG A 24 19.320 -2.013 2.321 1.00 0.00 H new ATOM 0 HH11 ARG A 24 19.307 1.297 1.069 1.00 0.00 H new ATOM 0 HH12 ARG A 24 20.782 1.747 1.930 1.00 0.00 H new ATOM 0 HH21 ARG A 24 21.194 -1.415 3.436 1.00 0.00 H new ATOM 0 HH22 ARG A 24 21.845 0.219 3.263 1.00 0.00 H new ATOM 397 N LEU A 25 13.110 -0.505 -0.660 1.00 0.00 N ATOM 398 CA LEU A 25 11.782 -0.586 -1.234 1.00 0.00 C ATOM 399 C LEU A 25 11.760 0.126 -2.577 1.00 0.00 C ATOM 400 O LEU A 25 11.193 -0.383 -3.535 1.00 0.00 O ATOM 401 CB LEU A 25 10.744 0.020 -0.287 1.00 0.00 C ATOM 402 CG LEU A 25 10.419 -0.820 0.951 1.00 0.00 C ATOM 403 CD1 LEU A 25 9.445 -0.079 1.851 1.00 0.00 C ATOM 404 CD2 LEU A 25 9.846 -2.172 0.548 1.00 0.00 C ATOM 0 H LEU A 25 13.166 0.035 0.204 1.00 0.00 H new ATOM 0 HA LEU A 25 11.527 -1.635 -1.384 1.00 0.00 H new ATOM 0 HB2 LEU A 25 11.101 0.996 0.040 1.00 0.00 H new ATOM 0 HB3 LEU A 25 9.822 0.188 -0.844 1.00 0.00 H new ATOM 0 HG LEU A 25 11.343 -0.991 1.503 1.00 0.00 H new ATOM 0 HD11 LEU A 25 9.223 -0.689 2.727 1.00 0.00 H new ATOM 0 HD12 LEU A 25 9.889 0.865 2.168 1.00 0.00 H new ATOM 0 HD13 LEU A 25 8.523 0.119 1.304 1.00 0.00 H new ATOM 0 HD21 LEU A 25 9.622 -2.753 1.442 1.00 0.00 H new ATOM 0 HD22 LEU A 25 8.932 -2.023 -0.027 1.00 0.00 H new ATOM 0 HD23 LEU A 25 10.574 -2.709 -0.061 1.00 0.00 H new ATOM 416 N MET A 26 12.403 1.290 -2.642 1.00 0.00 N ATOM 417 CA MET A 26 12.500 2.043 -3.890 1.00 0.00 C ATOM 418 C MET A 26 13.263 1.270 -4.954 1.00 0.00 C ATOM 419 O MET A 26 12.862 1.259 -6.106 1.00 0.00 O ATOM 420 CB MET A 26 13.157 3.407 -3.674 1.00 0.00 C ATOM 421 CG MET A 26 12.165 4.535 -3.435 1.00 0.00 C ATOM 422 SD MET A 26 11.087 4.817 -4.855 1.00 0.00 S ATOM 423 CE MET A 26 10.181 6.267 -4.319 1.00 0.00 C ATOM 0 H MET A 26 12.864 1.731 -1.846 1.00 0.00 H new ATOM 0 HA MET A 26 11.479 2.199 -4.239 1.00 0.00 H new ATOM 0 HB2 MET A 26 13.833 3.343 -2.821 1.00 0.00 H new ATOM 0 HB3 MET A 26 13.765 3.649 -4.546 1.00 0.00 H new ATOM 0 HG2 MET A 26 11.557 4.301 -2.561 1.00 0.00 H new ATOM 0 HG3 MET A 26 12.709 5.452 -3.208 1.00 0.00 H new ATOM 0 HE1 MET A 26 9.115 6.113 -4.487 1.00 0.00 H new ATOM 0 HE2 MET A 26 10.360 6.436 -3.257 1.00 0.00 H new ATOM 0 HE3 MET A 26 10.516 7.135 -4.886 1.00 0.00 H new ATOM 433 N GLU A 27 14.348 0.609 -4.568 1.00 0.00 N ATOM 434 CA GLU A 27 15.149 -0.143 -5.528 1.00 0.00 C ATOM 435 C GLU A 27 14.293 -1.186 -6.227 1.00 0.00 C ATOM 436 O GLU A 27 14.227 -1.233 -7.461 1.00 0.00 O ATOM 437 CB GLU A 27 16.326 -0.829 -4.827 1.00 0.00 C ATOM 438 CG GLU A 27 17.387 0.133 -4.323 1.00 0.00 C ATOM 439 CD GLU A 27 18.048 0.899 -5.446 1.00 0.00 C ATOM 440 OE1 GLU A 27 18.959 0.342 -6.093 1.00 0.00 O ATOM 441 OE2 GLU A 27 17.656 2.056 -5.696 1.00 0.00 O ATOM 0 H GLU A 27 14.691 0.578 -3.608 1.00 0.00 H new ATOM 0 HA GLU A 27 15.538 0.556 -6.269 1.00 0.00 H new ATOM 0 HB2 GLU A 27 15.947 -1.410 -3.986 1.00 0.00 H new ATOM 0 HB3 GLU A 27 16.788 -1.534 -5.519 1.00 0.00 H new ATOM 0 HG2 GLU A 27 16.934 0.836 -3.624 1.00 0.00 H new ATOM 0 HG3 GLU A 27 18.145 -0.422 -3.770 1.00 0.00 H new ATOM 448 N ILE A 28 13.617 -1.997 -5.433 1.00 0.00 N ATOM 449 CA ILE A 28 12.731 -3.021 -5.964 1.00 0.00 C ATOM 450 C ILE A 28 11.576 -2.375 -6.729 1.00 0.00 C ATOM 451 O ILE A 28 11.227 -2.789 -7.839 1.00 0.00 O ATOM 452 CB ILE A 28 12.175 -3.910 -4.830 1.00 0.00 C ATOM 453 CG1 ILE A 28 13.327 -4.561 -4.058 1.00 0.00 C ATOM 454 CG2 ILE A 28 11.233 -4.969 -5.385 1.00 0.00 C ATOM 455 CD1 ILE A 28 12.877 -5.404 -2.883 1.00 0.00 C ATOM 0 H ILE A 28 13.664 -1.967 -4.415 1.00 0.00 H new ATOM 0 HA ILE A 28 13.307 -3.648 -6.645 1.00 0.00 H new ATOM 0 HB ILE A 28 11.607 -3.282 -4.144 1.00 0.00 H new ATOM 0 HG12 ILE A 28 13.903 -5.185 -4.741 1.00 0.00 H new ATOM 0 HG13 ILE A 28 13.997 -3.781 -3.698 1.00 0.00 H new ATOM 0 HG21 ILE A 28 10.854 -5.583 -4.568 1.00 0.00 H new ATOM 0 HG22 ILE A 28 10.399 -4.484 -5.892 1.00 0.00 H new ATOM 0 HG23 ILE A 28 11.771 -5.599 -6.093 1.00 0.00 H new ATOM 0 HD11 ILE A 28 13.748 -5.831 -2.387 1.00 0.00 H new ATOM 0 HD12 ILE A 28 12.327 -4.781 -2.178 1.00 0.00 H new ATOM 0 HD13 ILE A 28 12.231 -6.207 -3.238 1.00 0.00 H new ATOM 467 N ALA A 29 11.019 -1.325 -6.143 1.00 0.00 N ATOM 468 CA ALA A 29 9.864 -0.647 -6.705 1.00 0.00 C ATOM 469 C ALA A 29 10.172 -0.064 -8.076 1.00 0.00 C ATOM 470 O ALA A 29 9.339 -0.107 -8.969 1.00 0.00 O ATOM 471 CB ALA A 29 9.376 0.441 -5.763 1.00 0.00 C ATOM 0 H ALA A 29 11.355 -0.922 -5.268 1.00 0.00 H new ATOM 0 HA ALA A 29 9.073 -1.387 -6.829 1.00 0.00 H new ATOM 0 HB1 ALA A 29 8.510 0.939 -6.200 1.00 0.00 H new ATOM 0 HB2 ALA A 29 9.096 -0.003 -4.808 1.00 0.00 H new ATOM 0 HB3 ALA A 29 10.172 1.169 -5.605 1.00 0.00 H new ATOM 477 N LYS A 30 11.385 0.430 -8.261 1.00 0.00 N ATOM 478 CA LYS A 30 11.749 1.088 -9.508 1.00 0.00 C ATOM 479 C LYS A 30 11.993 0.062 -10.594 1.00 0.00 C ATOM 480 O LYS A 30 11.864 0.361 -11.781 1.00 0.00 O ATOM 481 CB LYS A 30 12.991 1.960 -9.326 1.00 0.00 C ATOM 482 CG LYS A 30 12.779 3.118 -8.366 1.00 0.00 C ATOM 483 CD LYS A 30 14.079 3.850 -8.060 1.00 0.00 C ATOM 484 CE LYS A 30 14.631 4.558 -9.287 1.00 0.00 C ATOM 485 NZ LYS A 30 13.655 5.528 -9.852 1.00 0.00 N ATOM 0 H LYS A 30 12.132 0.389 -7.568 1.00 0.00 H new ATOM 0 HA LYS A 30 10.919 1.729 -9.804 1.00 0.00 H new ATOM 0 HB2 LYS A 30 13.811 1.341 -8.961 1.00 0.00 H new ATOM 0 HB3 LYS A 30 13.296 2.353 -10.296 1.00 0.00 H new ATOM 0 HG2 LYS A 30 12.061 3.817 -8.794 1.00 0.00 H new ATOM 0 HG3 LYS A 30 12.346 2.745 -7.438 1.00 0.00 H new ATOM 0 HD2 LYS A 30 13.908 4.578 -7.267 1.00 0.00 H new ATOM 0 HD3 LYS A 30 14.817 3.140 -7.688 1.00 0.00 H new ATOM 0 HE2 LYS A 30 15.550 5.080 -9.022 1.00 0.00 H new ATOM 0 HE3 LYS A 30 14.891 3.820 -10.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 14.148 6.186 -10.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 12.923 5.015 -10.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 13.210 6.063 -9.079 1.00 0.00 H new ATOM 499 N GLU A 31 12.344 -1.150 -10.190 1.00 0.00 N ATOM 500 CA GLU A 31 12.417 -2.254 -11.134 1.00 0.00 C ATOM 501 C GLU A 31 11.050 -2.491 -11.767 1.00 0.00 C ATOM 502 O GLU A 31 10.931 -2.641 -12.980 1.00 0.00 O ATOM 503 CB GLU A 31 12.862 -3.543 -10.455 1.00 0.00 C ATOM 504 CG GLU A 31 14.193 -3.458 -9.740 1.00 0.00 C ATOM 505 CD GLU A 31 14.586 -4.791 -9.147 1.00 0.00 C ATOM 506 OE1 GLU A 31 13.694 -5.509 -8.649 1.00 0.00 O ATOM 507 OE2 GLU A 31 15.784 -5.143 -9.208 1.00 0.00 O ATOM 0 H GLU A 31 12.580 -1.392 -9.228 1.00 0.00 H new ATOM 0 HA GLU A 31 13.149 -1.983 -11.894 1.00 0.00 H new ATOM 0 HB2 GLU A 31 12.098 -3.841 -9.737 1.00 0.00 H new ATOM 0 HB3 GLU A 31 12.919 -4.331 -11.206 1.00 0.00 H new ATOM 0 HG2 GLU A 31 14.962 -3.128 -10.438 1.00 0.00 H new ATOM 0 HG3 GLU A 31 14.136 -2.709 -8.950 1.00 0.00 H new ATOM 514 N LYS A 32 10.018 -2.509 -10.930 1.00 0.00 N ATOM 515 CA LYS A 32 8.670 -2.833 -11.385 1.00 0.00 C ATOM 516 C LYS A 32 7.869 -1.583 -11.760 1.00 0.00 C ATOM 517 O LYS A 32 6.722 -1.682 -12.193 1.00 0.00 O ATOM 518 CB LYS A 32 7.922 -3.636 -10.317 1.00 0.00 C ATOM 519 CG LYS A 32 8.527 -5.006 -10.036 1.00 0.00 C ATOM 520 CD LYS A 32 9.512 -4.961 -8.878 1.00 0.00 C ATOM 521 CE LYS A 32 10.208 -6.297 -8.667 1.00 0.00 C ATOM 522 NZ LYS A 32 11.307 -6.523 -9.645 1.00 0.00 N ATOM 0 H LYS A 32 10.089 -2.303 -9.933 1.00 0.00 H new ATOM 0 HA LYS A 32 8.773 -3.438 -12.285 1.00 0.00 H new ATOM 0 HB2 LYS A 32 7.904 -3.061 -9.391 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.887 -3.765 -10.633 1.00 0.00 H new ATOM 0 HG2 LYS A 32 7.731 -5.715 -9.809 1.00 0.00 H new ATOM 0 HG3 LYS A 32 9.033 -5.370 -10.930 1.00 0.00 H new ATOM 0 HD2 LYS A 32 10.259 -4.190 -9.067 1.00 0.00 H new ATOM 0 HD3 LYS A 32 8.986 -4.679 -7.966 1.00 0.00 H new ATOM 0 HE2 LYS A 32 10.611 -6.338 -7.655 1.00 0.00 H new ATOM 0 HE3 LYS A 32 9.478 -7.102 -8.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 11.331 -7.527 -9.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 11.143 -5.942 -10.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 12.215 -6.258 -9.214 1.00 0.00 H new ATOM 536 N ASN A 33 8.488 -0.416 -11.572 1.00 0.00 N ATOM 537 CA ASN A 33 7.862 0.881 -11.860 1.00 0.00 C ATOM 538 C ASN A 33 6.675 1.126 -10.925 1.00 0.00 C ATOM 539 O ASN A 33 5.548 1.378 -11.349 1.00 0.00 O ATOM 540 CB ASN A 33 7.443 0.987 -13.337 1.00 0.00 C ATOM 541 CG ASN A 33 6.925 2.366 -13.705 1.00 0.00 C ATOM 542 OD1 ASN A 33 7.299 3.370 -13.096 1.00 0.00 O ATOM 543 ND2 ASN A 33 6.076 2.425 -14.717 1.00 0.00 N ATOM 0 H ASN A 33 9.440 -0.341 -11.215 1.00 0.00 H new ATOM 0 HA ASN A 33 8.602 1.660 -11.678 1.00 0.00 H new ATOM 0 HB2 ASN A 33 8.296 0.744 -13.970 1.00 0.00 H new ATOM 0 HB3 ASN A 33 6.671 0.247 -13.545 1.00 0.00 H new ATOM 0 HD21 ASN A 33 5.706 3.326 -15.020 1.00 0.00 H new ATOM 0 HD22 ASN A 33 5.792 1.570 -15.195 1.00 0.00 H new ATOM 550 N LEU A 34 6.963 1.025 -9.641 1.00 0.00 N ATOM 551 CA LEU A 34 6.006 1.271 -8.575 1.00 0.00 C ATOM 552 C LEU A 34 6.667 2.148 -7.524 1.00 0.00 C ATOM 553 O LEU A 34 7.874 2.381 -7.581 1.00 0.00 O ATOM 554 CB LEU A 34 5.562 -0.045 -7.928 1.00 0.00 C ATOM 555 CG LEU A 34 4.805 -1.008 -8.839 1.00 0.00 C ATOM 556 CD1 LEU A 34 4.562 -2.330 -8.126 1.00 0.00 C ATOM 557 CD2 LEU A 34 3.485 -0.397 -9.283 1.00 0.00 C ATOM 0 H LEU A 34 7.889 0.764 -9.301 1.00 0.00 H new ATOM 0 HA LEU A 34 5.127 1.764 -8.991 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.445 -0.556 -7.544 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.930 0.188 -7.071 1.00 0.00 H new ATOM 0 HG LEU A 34 5.413 -1.195 -9.724 1.00 0.00 H new ATOM 0 HD11 LEU A 34 4.021 -3.006 -8.788 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.518 -2.777 -7.852 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.973 -2.155 -7.226 1.00 0.00 H new ATOM 0 HD21 LEU A 34 2.960 -1.098 -9.932 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.871 -0.182 -8.408 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.677 0.527 -9.828 1.00 0.00 H new ATOM 569 N THR A 35 5.885 2.668 -6.598 1.00 0.00 N ATOM 570 CA THR A 35 6.444 3.382 -5.463 1.00 0.00 C ATOM 571 C THR A 35 6.358 2.513 -4.214 1.00 0.00 C ATOM 572 O THR A 35 5.550 1.585 -4.158 1.00 0.00 O ATOM 573 CB THR A 35 5.713 4.719 -5.216 1.00 0.00 C ATOM 574 OG1 THR A 35 4.321 4.484 -4.960 1.00 0.00 O ATOM 575 CG2 THR A 35 5.860 5.646 -6.413 1.00 0.00 C ATOM 0 H THR A 35 4.867 2.611 -6.607 1.00 0.00 H new ATOM 0 HA THR A 35 7.487 3.605 -5.689 1.00 0.00 H new ATOM 0 HB THR A 35 6.166 5.195 -4.346 1.00 0.00 H new ATOM 0 HG1 THR A 35 3.880 4.200 -5.788 1.00 0.00 H new ATOM 0 HG21 THR A 35 5.337 6.581 -6.215 1.00 0.00 H new ATOM 0 HG22 THR A 35 6.916 5.851 -6.587 1.00 0.00 H new ATOM 0 HG23 THR A 35 5.433 5.171 -7.296 1.00 0.00 H new ATOM 583 N LEU A 36 7.201 2.788 -3.224 1.00 0.00 N ATOM 584 CA LEU A 36 7.135 2.069 -1.951 1.00 0.00 C ATOM 585 C LEU A 36 5.780 2.293 -1.298 1.00 0.00 C ATOM 586 O LEU A 36 5.296 1.453 -0.544 1.00 0.00 O ATOM 587 CB LEU A 36 8.269 2.494 -1.011 1.00 0.00 C ATOM 588 CG LEU A 36 8.148 3.883 -0.380 1.00 0.00 C ATOM 589 CD1 LEU A 36 9.136 4.020 0.764 1.00 0.00 C ATOM 590 CD2 LEU A 36 8.390 4.980 -1.407 1.00 0.00 C ATOM 0 H LEU A 36 7.933 3.497 -3.275 1.00 0.00 H new ATOM 0 HA LEU A 36 7.258 1.005 -2.152 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.340 1.760 -0.209 1.00 0.00 H new ATOM 0 HB3 LEU A 36 9.206 2.452 -1.566 1.00 0.00 H new ATOM 0 HG LEU A 36 7.133 3.993 0.001 1.00 0.00 H new ATOM 0 HD11 LEU A 36 9.044 5.011 1.208 1.00 0.00 H new ATOM 0 HD12 LEU A 36 8.925 3.263 1.519 1.00 0.00 H new ATOM 0 HD13 LEU A 36 10.150 3.884 0.387 1.00 0.00 H new ATOM 0 HD21 LEU A 36 8.297 5.954 -0.927 1.00 0.00 H new ATOM 0 HD22 LEU A 36 9.392 4.874 -1.823 1.00 0.00 H new ATOM 0 HD23 LEU A 36 7.655 4.898 -2.207 1.00 0.00 H new ATOM 602 N SER A 37 5.179 3.432 -1.611 1.00 0.00 N ATOM 603 CA SER A 37 3.811 3.724 -1.219 1.00 0.00 C ATOM 604 C SER A 37 2.879 2.626 -1.717 1.00 0.00 C ATOM 605 O SER A 37 2.068 2.092 -0.956 1.00 0.00 O ATOM 606 CB SER A 37 3.397 5.078 -1.801 1.00 0.00 C ATOM 607 OG SER A 37 2.025 5.340 -1.600 1.00 0.00 O ATOM 0 H SER A 37 5.627 4.178 -2.143 1.00 0.00 H new ATOM 0 HA SER A 37 3.745 3.765 -0.132 1.00 0.00 H new ATOM 0 HB2 SER A 37 3.989 5.868 -1.339 1.00 0.00 H new ATOM 0 HB3 SER A 37 3.618 5.097 -2.868 1.00 0.00 H new ATOM 0 HG SER A 37 1.817 6.248 -1.905 1.00 0.00 H new ATOM 613 N ASP A 38 3.029 2.268 -2.992 1.00 0.00 N ATOM 614 CA ASP A 38 2.209 1.228 -3.598 1.00 0.00 C ATOM 615 C ASP A 38 2.472 -0.102 -2.921 1.00 0.00 C ATOM 616 O ASP A 38 1.548 -0.775 -2.497 1.00 0.00 O ATOM 617 CB ASP A 38 2.492 1.089 -5.098 1.00 0.00 C ATOM 618 CG ASP A 38 2.171 2.340 -5.887 1.00 0.00 C ATOM 619 OD1 ASP A 38 1.011 2.799 -5.848 1.00 0.00 O ATOM 620 OD2 ASP A 38 3.084 2.871 -6.557 1.00 0.00 O ATOM 0 H ASP A 38 3.713 2.686 -3.623 1.00 0.00 H new ATOM 0 HA ASP A 38 1.166 1.516 -3.467 1.00 0.00 H new ATOM 0 HB2 ASP A 38 3.543 0.838 -5.240 1.00 0.00 H new ATOM 0 HB3 ASP A 38 1.909 0.258 -5.495 1.00 0.00 H new ATOM 625 N VAL A 39 3.742 -0.452 -2.780 1.00 0.00 N ATOM 626 CA VAL A 39 4.120 -1.735 -2.196 1.00 0.00 C ATOM 627 C VAL A 39 3.622 -1.845 -0.755 1.00 0.00 C ATOM 628 O VAL A 39 3.256 -2.923 -0.298 1.00 0.00 O ATOM 629 CB VAL A 39 5.653 -1.929 -2.222 1.00 0.00 C ATOM 630 CG1 VAL A 39 6.044 -3.299 -1.688 1.00 0.00 C ATOM 631 CG2 VAL A 39 6.192 -1.731 -3.631 1.00 0.00 C ATOM 0 H VAL A 39 4.529 0.132 -3.061 1.00 0.00 H new ATOM 0 HA VAL A 39 3.654 -2.515 -2.798 1.00 0.00 H new ATOM 0 HB VAL A 39 6.097 -1.177 -1.570 1.00 0.00 H new ATOM 0 HG11 VAL A 39 7.128 -3.406 -1.719 1.00 0.00 H new ATOM 0 HG12 VAL A 39 5.699 -3.401 -0.659 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.586 -4.074 -2.303 1.00 0.00 H new ATOM 0 HG21 VAL A 39 7.273 -1.871 -3.630 1.00 0.00 H new ATOM 0 HG22 VAL A 39 5.732 -2.457 -4.302 1.00 0.00 H new ATOM 0 HG23 VAL A 39 5.957 -0.723 -3.972 1.00 0.00 H new ATOM 641 N CYS A 40 3.592 -0.721 -0.058 1.00 0.00 N ATOM 642 CA CYS A 40 3.170 -0.684 1.336 1.00 0.00 C ATOM 643 C CYS A 40 1.661 -0.945 1.467 1.00 0.00 C ATOM 644 O CYS A 40 1.239 -1.842 2.193 1.00 0.00 O ATOM 645 CB CYS A 40 3.566 0.674 1.937 1.00 0.00 C ATOM 646 SG CYS A 40 3.703 0.705 3.729 1.00 0.00 S ATOM 0 H CYS A 40 3.857 0.188 -0.438 1.00 0.00 H new ATOM 0 HA CYS A 40 3.671 -1.478 1.890 1.00 0.00 H new ATOM 0 HB2 CYS A 40 4.522 0.978 1.510 1.00 0.00 H new ATOM 0 HB3 CYS A 40 2.830 1.417 1.632 1.00 0.00 H new ATOM 0 HG CYS A 40 4.043 1.898 4.118 1.00 0.00 H new ATOM 652 N ARG A 41 0.850 -0.153 0.780 1.00 0.00 N ATOM 653 CA ARG A 41 -0.595 -0.407 0.712 1.00 0.00 C ATOM 654 C ARG A 41 -0.912 -1.780 0.096 1.00 0.00 C ATOM 655 O ARG A 41 -1.895 -2.425 0.466 1.00 0.00 O ATOM 656 CB ARG A 41 -1.302 0.720 -0.062 1.00 0.00 C ATOM 657 CG ARG A 41 -0.730 0.993 -1.444 1.00 0.00 C ATOM 658 CD ARG A 41 -1.468 0.233 -2.539 1.00 0.00 C ATOM 659 NE ARG A 41 -2.619 0.983 -3.045 1.00 0.00 N ATOM 660 CZ ARG A 41 -3.698 0.421 -3.595 1.00 0.00 C ATOM 661 NH1 ARG A 41 -3.814 -0.899 -3.640 1.00 0.00 N ATOM 662 NH2 ARG A 41 -4.661 1.185 -4.095 1.00 0.00 N ATOM 0 H ARG A 41 1.159 0.669 0.262 1.00 0.00 H new ATOM 0 HA ARG A 41 -0.975 -0.422 1.734 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -2.357 0.467 -0.163 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -1.249 1.636 0.526 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -0.781 2.062 -1.650 1.00 0.00 H new ATOM 0 HG3 ARG A 41 0.324 0.715 -1.459 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -0.782 0.023 -3.360 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -1.804 -0.728 -2.150 1.00 0.00 H new ATOM 0 HE ARG A 41 -2.595 2.000 -2.973 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -3.077 -1.489 -3.254 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -4.640 -1.324 -4.061 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -4.577 2.201 -4.059 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -5.486 0.756 -4.515 1.00 0.00 H new ATOM 676 N LEU A 42 -0.088 -2.242 -0.836 1.00 0.00 N ATOM 677 CA LEU A 42 -0.266 -3.580 -1.397 1.00 0.00 C ATOM 678 C LEU A 42 0.110 -4.625 -0.363 1.00 0.00 C ATOM 679 O LEU A 42 -0.363 -5.762 -0.404 1.00 0.00 O ATOM 680 CB LEU A 42 0.572 -3.771 -2.662 1.00 0.00 C ATOM 681 CG LEU A 42 0.184 -2.875 -3.836 1.00 0.00 C ATOM 682 CD1 LEU A 42 1.121 -3.104 -5.014 1.00 0.00 C ATOM 683 CD2 LEU A 42 -1.261 -3.122 -4.247 1.00 0.00 C ATOM 0 H LEU A 42 0.701 -1.720 -1.217 1.00 0.00 H new ATOM 0 HA LEU A 42 -1.315 -3.696 -1.669 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.619 -3.590 -2.417 1.00 0.00 H new ATOM 0 HB3 LEU A 42 0.494 -4.811 -2.977 1.00 0.00 H new ATOM 0 HG LEU A 42 0.276 -1.836 -3.519 1.00 0.00 H new ATOM 0 HD11 LEU A 42 0.830 -2.457 -5.842 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.144 -2.873 -4.716 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.061 -4.146 -5.329 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.517 -2.473 -5.085 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -1.382 -4.164 -4.544 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.920 -2.906 -3.406 1.00 0.00 H new ATOM 695 N ALA A 43 0.947 -4.218 0.579 1.00 0.00 N ATOM 696 CA ALA A 43 1.380 -5.098 1.637 1.00 0.00 C ATOM 697 C ALA A 43 0.224 -5.381 2.584 1.00 0.00 C ATOM 698 O ALA A 43 0.036 -6.515 3.021 1.00 0.00 O ATOM 699 CB ALA A 43 2.559 -4.503 2.388 1.00 0.00 C ATOM 0 H ALA A 43 1.338 -3.277 0.626 1.00 0.00 H new ATOM 0 HA ALA A 43 1.708 -6.039 1.195 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.867 -5.185 3.181 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.389 -4.349 1.699 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.268 -3.548 2.824 1.00 0.00 H new ATOM 705 N ILE A 44 -0.571 -4.348 2.880 1.00 0.00 N ATOM 706 CA ILE A 44 -1.707 -4.509 3.780 1.00 0.00 C ATOM 707 C ILE A 44 -2.777 -5.356 3.118 1.00 0.00 C ATOM 708 O ILE A 44 -3.499 -6.087 3.788 1.00 0.00 O ATOM 709 CB ILE A 44 -2.315 -3.162 4.247 1.00 0.00 C ATOM 710 CG1 ILE A 44 -3.115 -2.478 3.136 1.00 0.00 C ATOM 711 CG2 ILE A 44 -1.215 -2.240 4.733 1.00 0.00 C ATOM 712 CD1 ILE A 44 -3.790 -1.195 3.581 1.00 0.00 C ATOM 0 H ILE A 44 -0.448 -3.404 2.513 1.00 0.00 H new ATOM 0 HA ILE A 44 -1.329 -5.008 4.672 1.00 0.00 H new ATOM 0 HB ILE A 44 -3.004 -3.377 5.064 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -2.449 -2.259 2.301 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -3.873 -3.169 2.766 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -1.650 -1.295 5.060 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -0.692 -2.706 5.568 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -0.511 -2.054 3.922 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -4.339 -0.764 2.744 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -4.481 -1.411 4.396 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -3.036 -0.487 3.924 1.00 0.00 H new ATOM 724 N LYS A 45 -2.865 -5.262 1.796 1.00 0.00 N ATOM 725 CA LYS A 45 -3.803 -6.079 1.047 1.00 0.00 C ATOM 726 C LYS A 45 -3.512 -7.563 1.261 1.00 0.00 C ATOM 727 O LYS A 45 -4.414 -8.343 1.571 1.00 0.00 O ATOM 728 CB LYS A 45 -3.763 -5.738 -0.444 1.00 0.00 C ATOM 729 CG LYS A 45 -4.824 -6.469 -1.252 1.00 0.00 C ATOM 730 CD LYS A 45 -4.812 -6.053 -2.713 1.00 0.00 C ATOM 731 CE LYS A 45 -5.958 -6.696 -3.481 1.00 0.00 C ATOM 732 NZ LYS A 45 -5.840 -8.178 -3.523 1.00 0.00 N ATOM 0 H LYS A 45 -2.301 -4.631 1.227 1.00 0.00 H new ATOM 0 HA LYS A 45 -4.805 -5.863 1.417 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -3.896 -4.663 -0.568 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -2.778 -5.985 -0.841 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -4.659 -7.544 -1.180 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -5.807 -6.268 -0.826 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -4.887 -4.968 -2.785 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -3.863 -6.338 -3.167 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -6.905 -6.421 -3.016 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -5.977 -6.305 -4.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -6.571 -8.567 -4.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -4.899 -8.441 -3.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -5.967 -8.564 -2.566 1.00 0.00 H new ATOM 746 N GLU A 46 -2.243 -7.941 1.121 1.00 0.00 N ATOM 747 CA GLU A 46 -1.838 -9.328 1.300 1.00 0.00 C ATOM 748 C GLU A 46 -1.874 -9.681 2.781 1.00 0.00 C ATOM 749 O GLU A 46 -2.109 -10.829 3.159 1.00 0.00 O ATOM 750 CB GLU A 46 -0.438 -9.557 0.726 1.00 0.00 C ATOM 751 CG GLU A 46 -0.071 -11.027 0.607 1.00 0.00 C ATOM 752 CD GLU A 46 1.295 -11.252 -0.009 1.00 0.00 C ATOM 753 OE1 GLU A 46 1.434 -11.087 -1.241 1.00 0.00 O ATOM 754 OE2 GLU A 46 2.230 -11.619 0.727 1.00 0.00 O ATOM 0 H GLU A 46 -1.481 -7.305 0.885 1.00 0.00 H new ATOM 0 HA GLU A 46 -2.532 -9.975 0.763 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -0.376 -9.093 -0.258 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.294 -9.057 1.361 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -0.096 -11.483 1.597 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -0.823 -11.535 0.003 1.00 0.00 H new ATOM 761 N TYR A 47 -1.662 -8.671 3.614 1.00 0.00 N ATOM 762 CA TYR A 47 -1.722 -8.842 5.054 1.00 0.00 C ATOM 763 C TYR A 47 -3.132 -9.245 5.465 1.00 0.00 C ATOM 764 O TYR A 47 -3.323 -10.182 6.247 1.00 0.00 O ATOM 765 CB TYR A 47 -1.314 -7.546 5.763 1.00 0.00 C ATOM 766 CG TYR A 47 -1.205 -7.661 7.266 1.00 0.00 C ATOM 767 CD1 TYR A 47 -0.065 -8.190 7.854 1.00 0.00 C ATOM 768 CD2 TYR A 47 -2.229 -7.225 8.099 1.00 0.00 C ATOM 769 CE1 TYR A 47 0.052 -8.287 9.225 1.00 0.00 C ATOM 770 CE2 TYR A 47 -2.120 -7.322 9.475 1.00 0.00 C ATOM 771 CZ TYR A 47 -0.976 -7.853 10.030 1.00 0.00 C ATOM 772 OH TYR A 47 -0.856 -7.948 11.398 1.00 0.00 O ATOM 0 H TYR A 47 -1.446 -7.721 3.312 1.00 0.00 H new ATOM 0 HA TYR A 47 -1.026 -9.628 5.346 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -0.354 -7.216 5.366 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -2.041 -6.771 5.522 1.00 0.00 H new ATOM 0 HD1 TYR A 47 0.745 -8.532 7.227 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -3.124 -6.804 7.665 1.00 0.00 H new ATOM 0 HE1 TYR A 47 0.947 -8.702 9.665 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -2.926 -6.984 10.110 1.00 0.00 H new ATOM 0 HH TYR A 47 -1.667 -7.598 11.823 1.00 0.00 H new ATOM 782 N LEU A 48 -4.118 -8.539 4.917 1.00 0.00 N ATOM 783 CA LEU A 48 -5.519 -8.852 5.161 1.00 0.00 C ATOM 784 C LEU A 48 -5.865 -10.202 4.552 1.00 0.00 C ATOM 785 O LEU A 48 -6.594 -10.984 5.137 1.00 0.00 O ATOM 786 CB LEU A 48 -6.438 -7.780 4.560 1.00 0.00 C ATOM 787 CG LEU A 48 -6.199 -6.346 5.040 1.00 0.00 C ATOM 788 CD1 LEU A 48 -7.190 -5.395 4.386 1.00 0.00 C ATOM 789 CD2 LEU A 48 -6.298 -6.258 6.554 1.00 0.00 C ATOM 0 H LEU A 48 -3.969 -7.742 4.298 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.672 -8.881 6.240 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.329 -7.802 3.476 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -7.471 -8.049 4.782 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.191 -6.053 4.748 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -7.007 -4.380 4.738 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -7.069 -5.431 3.303 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -8.206 -5.692 4.647 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -6.124 -5.230 6.871 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -7.292 -6.573 6.873 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -5.549 -6.908 7.006 1.00 0.00 H new ATOM 801 N ASP A 49 -5.320 -10.452 3.376 1.00 0.00 N ATOM 802 CA ASP A 49 -5.593 -11.677 2.632 1.00 0.00 C ATOM 803 C ASP A 49 -5.186 -12.915 3.431 1.00 0.00 C ATOM 804 O ASP A 49 -5.915 -13.907 3.479 1.00 0.00 O ATOM 805 CB ASP A 49 -4.827 -11.637 1.310 1.00 0.00 C ATOM 806 CG ASP A 49 -5.246 -12.723 0.341 1.00 0.00 C ATOM 807 OD1 ASP A 49 -4.714 -13.849 0.429 1.00 0.00 O ATOM 808 OD2 ASP A 49 -6.090 -12.437 -0.539 1.00 0.00 O ATOM 0 H ASP A 49 -4.676 -9.815 2.906 1.00 0.00 H new ATOM 0 HA ASP A 49 -6.665 -11.740 2.444 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -4.976 -10.664 0.841 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -3.760 -11.733 1.513 1.00 0.00 H new ATOM 813 N ASN A 50 -4.018 -12.840 4.056 1.00 0.00 N ATOM 814 CA ASN A 50 -3.452 -13.975 4.777 1.00 0.00 C ATOM 815 C ASN A 50 -4.032 -14.091 6.194 1.00 0.00 C ATOM 816 O ASN A 50 -4.332 -15.191 6.663 1.00 0.00 O ATOM 817 CB ASN A 50 -1.926 -13.831 4.821 1.00 0.00 C ATOM 818 CG ASN A 50 -1.201 -15.106 5.222 1.00 0.00 C ATOM 819 OD1 ASN A 50 -1.675 -15.881 6.054 1.00 0.00 O ATOM 820 ND2 ASN A 50 -0.047 -15.338 4.616 1.00 0.00 N ATOM 0 H ASN A 50 -3.440 -12.000 4.078 1.00 0.00 H new ATOM 0 HA ASN A 50 -3.716 -14.892 4.250 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -1.572 -13.516 3.840 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -1.665 -13.039 5.523 1.00 0.00 H new ATOM 0 HD21 ASN A 50 0.482 -16.183 4.833 1.00 0.00 H new ATOM 0 HD22 ASN A 50 0.313 -14.672 3.932 1.00 0.00 H new ATOM 827 N HIS A 51 -4.207 -12.958 6.871 1.00 0.00 N ATOM 828 CA HIS A 51 -4.679 -12.964 8.257 1.00 0.00 C ATOM 829 C HIS A 51 -6.199 -12.900 8.328 1.00 0.00 C ATOM 830 O HIS A 51 -6.844 -13.773 8.906 1.00 0.00 O ATOM 831 CB HIS A 51 -4.089 -11.786 9.038 1.00 0.00 C ATOM 832 CG HIS A 51 -2.645 -11.950 9.398 1.00 0.00 C ATOM 833 ND1 HIS A 51 -2.222 -12.222 10.679 1.00 0.00 N ATOM 834 CD2 HIS A 51 -1.521 -11.852 8.648 1.00 0.00 C ATOM 835 CE1 HIS A 51 -0.908 -12.288 10.702 1.00 0.00 C ATOM 836 NE2 HIS A 51 -0.455 -12.066 9.485 1.00 0.00 N ATOM 0 H HIS A 51 -4.031 -12.029 6.487 1.00 0.00 H new ATOM 0 HA HIS A 51 -4.346 -13.900 8.705 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -4.203 -10.878 8.446 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -4.666 -11.645 9.952 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -1.473 -11.644 7.589 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -0.302 -12.490 11.573 1.00 0.00 H new ATOM 0 HE2 HIS A 51 0.527 -12.055 9.210 1.00 0.00 H new ATOM 845 N ASP A 52 -6.768 -11.874 7.718 1.00 0.00 N ATOM 846 CA ASP A 52 -8.206 -11.644 7.771 1.00 0.00 C ATOM 847 C ASP A 52 -8.862 -12.290 6.556 1.00 0.00 C ATOM 848 O ASP A 52 -9.422 -11.611 5.692 1.00 0.00 O ATOM 849 CB ASP A 52 -8.488 -10.138 7.809 1.00 0.00 C ATOM 850 CG ASP A 52 -9.945 -9.814 8.062 1.00 0.00 C ATOM 851 OD1 ASP A 52 -10.412 -10.026 9.201 1.00 0.00 O ATOM 852 OD2 ASP A 52 -10.623 -9.331 7.131 1.00 0.00 O ATOM 0 H ASP A 52 -6.253 -11.181 7.175 1.00 0.00 H new ATOM 0 HA ASP A 52 -8.622 -12.092 8.674 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -7.879 -9.680 8.588 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -8.182 -9.693 6.862 1.00 0.00 H new ATOM 857 N LYS A 53 -8.760 -13.615 6.503 1.00 0.00 N ATOM 858 CA LYS A 53 -9.181 -14.394 5.340 1.00 0.00 C ATOM 859 C LYS A 53 -10.637 -14.139 4.969 1.00 0.00 C ATOM 860 O LYS A 53 -10.922 -13.470 3.975 1.00 0.00 O ATOM 861 CB LYS A 53 -8.982 -15.886 5.600 1.00 0.00 C ATOM 862 CG LYS A 53 -7.565 -16.259 5.997 1.00 0.00 C ATOM 863 CD LYS A 53 -7.392 -17.767 6.077 1.00 0.00 C ATOM 864 CE LYS A 53 -8.397 -18.403 7.026 1.00 0.00 C ATOM 865 NZ LYS A 53 -8.317 -19.888 7.006 1.00 0.00 N ATOM 0 H LYS A 53 -8.383 -14.180 7.264 1.00 0.00 H new ATOM 0 HA LYS A 53 -8.559 -14.074 4.504 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -9.665 -16.201 6.389 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -9.255 -16.441 4.702 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -6.862 -15.848 5.272 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -7.326 -15.812 6.962 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -7.507 -18.199 5.083 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -6.380 -17.999 6.410 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -8.217 -18.044 8.039 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -9.404 -18.090 6.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -9.018 -20.282 7.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -8.514 -20.233 6.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -7.364 -20.188 7.293 1.00 0.00 H new ATOM 879 N GLN A 54 -11.555 -14.678 5.759 1.00 0.00 N ATOM 880 CA GLN A 54 -12.969 -14.527 5.472 1.00 0.00 C ATOM 881 C GLN A 54 -13.523 -13.271 6.127 1.00 0.00 C ATOM 882 O GLN A 54 -13.471 -13.107 7.346 1.00 0.00 O ATOM 883 CB GLN A 54 -13.770 -15.758 5.915 1.00 0.00 C ATOM 884 CG GLN A 54 -13.605 -16.127 7.381 1.00 0.00 C ATOM 885 CD GLN A 54 -14.707 -17.046 7.876 1.00 0.00 C ATOM 886 OE1 GLN A 54 -15.905 -16.894 7.332 1.00 0.00 O flip ATOM 887 NE2 GLN A 54 -14.487 -17.880 8.754 1.00 0.00 N flip ATOM 0 H GLN A 54 -11.345 -15.220 6.597 1.00 0.00 H new ATOM 0 HA GLN A 54 -13.073 -14.432 4.391 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -14.827 -15.579 5.716 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -13.470 -16.609 5.304 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -12.640 -16.613 7.524 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -13.597 -15.218 7.983 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -13.551 -17.969 9.150 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -15.240 -18.482 9.086 1.00 0.00 H new ATOM 896 N LYS A 55 -14.044 -12.387 5.304 1.00 0.00 N ATOM 897 CA LYS A 55 -14.694 -11.185 5.786 1.00 0.00 C ATOM 898 C LYS A 55 -16.191 -11.431 5.888 1.00 0.00 C ATOM 899 O LYS A 55 -16.973 -10.942 5.074 1.00 0.00 O ATOM 900 CB LYS A 55 -14.376 -10.011 4.858 1.00 0.00 C ATOM 901 CG LYS A 55 -12.927 -9.567 4.952 1.00 0.00 C ATOM 902 CD LYS A 55 -12.521 -8.687 3.786 1.00 0.00 C ATOM 903 CE LYS A 55 -11.118 -8.129 3.981 1.00 0.00 C ATOM 904 NZ LYS A 55 -10.151 -9.175 4.418 1.00 0.00 N ATOM 0 H LYS A 55 -14.030 -12.479 4.288 1.00 0.00 H new ATOM 0 HA LYS A 55 -14.321 -10.930 6.778 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -14.599 -10.295 3.830 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -15.026 -9.171 5.105 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -12.775 -9.024 5.885 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -12.281 -10.445 4.985 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -12.561 -9.262 2.861 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -13.231 -7.866 3.682 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -10.773 -7.685 3.047 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -11.146 -7.331 4.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -9.198 -8.929 4.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -10.147 -9.232 5.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -10.432 -10.095 4.022 1.00 0.00 H new ATOM 918 N LYS A 56 -16.561 -12.209 6.905 1.00 0.00 N ATOM 919 CA LYS A 56 -17.934 -12.673 7.098 1.00 0.00 C ATOM 920 C LYS A 56 -18.356 -13.562 5.936 1.00 0.00 C ATOM 921 O LYS A 56 -19.012 -13.055 5.000 1.00 0.00 O ATOM 922 CB LYS A 56 -18.912 -11.500 7.245 1.00 0.00 C ATOM 923 CG LYS A 56 -18.556 -10.528 8.358 1.00 0.00 C ATOM 924 CD LYS A 56 -19.646 -9.484 8.543 1.00 0.00 C ATOM 925 CE LYS A 56 -20.906 -10.094 9.136 1.00 0.00 C ATOM 926 NZ LYS A 56 -20.700 -10.527 10.545 1.00 0.00 N ATOM 927 OXT LYS A 56 -18.019 -14.765 5.953 1.00 0.00 O ATOM 0 H LYS A 56 -15.913 -12.537 7.622 1.00 0.00 H new ATOM 0 HA LYS A 56 -17.962 -13.249 8.023 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -18.953 -10.955 6.302 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -19.911 -11.895 7.429 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -18.410 -11.075 9.290 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -17.612 -10.035 8.126 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -19.283 -8.689 9.195 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -19.880 -9.026 7.582 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -21.717 -9.366 9.094 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -21.214 -10.949 8.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -21.621 -10.730 10.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -20.111 -11.384 10.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -20.224 -9.769 11.075 1.00 0.00 H new TER 941 LYS A 56 ATOM 942 N GLY B 2 19.664 19.289 13.711 1.00 0.00 N ATOM 943 CA GLY B 2 20.297 17.989 14.032 1.00 0.00 C ATOM 944 C GLY B 2 19.957 16.926 13.014 1.00 0.00 C ATOM 945 O GLY B 2 19.086 17.133 12.166 1.00 0.00 O ATOM 0 HA2 GLY B 2 21.379 18.114 14.078 1.00 0.00 H new ATOM 0 HA3 GLY B 2 19.972 17.662 15.020 1.00 0.00 H new ATOM 951 N ARG B 3 20.656 15.803 13.080 1.00 0.00 N ATOM 952 CA ARG B 3 20.407 14.689 12.179 1.00 0.00 C ATOM 953 C ARG B 3 20.735 13.361 12.865 1.00 0.00 C ATOM 954 O ARG B 3 21.887 13.101 13.225 1.00 0.00 O ATOM 955 CB ARG B 3 21.219 14.852 10.887 1.00 0.00 C ATOM 956 CG ARG B 3 22.712 15.008 11.111 1.00 0.00 C ATOM 957 CD ARG B 3 23.467 15.113 9.796 1.00 0.00 C ATOM 958 NE ARG B 3 24.910 15.207 10.007 1.00 0.00 N ATOM 959 CZ ARG B 3 25.808 15.375 9.041 1.00 0.00 C ATOM 960 NH1 ARG B 3 25.428 15.468 7.771 1.00 0.00 N ATOM 961 NH2 ARG B 3 27.095 15.442 9.355 1.00 0.00 N ATOM 0 H ARG B 3 21.405 15.639 13.753 1.00 0.00 H new ATOM 0 HA ARG B 3 19.349 14.684 11.918 1.00 0.00 H new ATOM 0 HB2 ARG B 3 21.046 13.985 10.250 1.00 0.00 H new ATOM 0 HB3 ARG B 3 20.850 15.723 10.346 1.00 0.00 H new ATOM 0 HG2 ARG B 3 22.899 15.899 11.711 1.00 0.00 H new ATOM 0 HG3 ARG B 3 23.086 14.156 11.679 1.00 0.00 H new ATOM 0 HD2 ARG B 3 23.245 14.242 9.179 1.00 0.00 H new ATOM 0 HD3 ARG B 3 23.122 15.989 9.247 1.00 0.00 H new ATOM 0 HE ARG B 3 25.253 15.139 10.965 1.00 0.00 H new ATOM 0 HH11 ARG B 3 24.439 15.411 7.529 1.00 0.00 H new ATOM 0 HH12 ARG B 3 26.126 15.597 7.038 1.00 0.00 H new ATOM 0 HH21 ARG B 3 27.387 15.365 10.329 1.00 0.00 H new ATOM 0 HH22 ARG B 3 27.793 15.571 8.622 1.00 0.00 H new ATOM 975 N PRO B 4 19.716 12.519 13.084 1.00 0.00 N ATOM 976 CA PRO B 4 19.891 11.213 13.726 1.00 0.00 C ATOM 977 C PRO B 4 20.546 10.187 12.801 1.00 0.00 C ATOM 978 O PRO B 4 20.170 10.065 11.631 1.00 0.00 O ATOM 979 CB PRO B 4 18.459 10.794 14.065 1.00 0.00 C ATOM 980 CG PRO B 4 17.609 11.489 13.057 1.00 0.00 C ATOM 981 CD PRO B 4 18.307 12.783 12.737 1.00 0.00 C ATOM 0 HA PRO B 4 20.551 11.270 14.591 1.00 0.00 H new ATOM 0 HB2 PRO B 4 18.339 9.712 14.005 1.00 0.00 H new ATOM 0 HB3 PRO B 4 18.190 11.089 15.079 1.00 0.00 H new ATOM 0 HG2 PRO B 4 17.491 10.879 12.161 1.00 0.00 H new ATOM 0 HG3 PRO B 4 16.610 11.673 13.452 1.00 0.00 H new ATOM 0 HD2 PRO B 4 18.197 13.047 11.685 1.00 0.00 H new ATOM 0 HD3 PRO B 4 17.900 13.611 13.318 1.00 0.00 H new ATOM 989 N TYR B 5 21.518 9.453 13.351 1.00 0.00 N ATOM 990 CA TYR B 5 22.251 8.410 12.624 1.00 0.00 C ATOM 991 C TYR B 5 23.041 8.978 11.445 1.00 0.00 C ATOM 992 O TYR B 5 24.231 9.280 11.562 1.00 0.00 O ATOM 993 CB TYR B 5 21.307 7.308 12.123 1.00 0.00 C ATOM 994 CG TYR B 5 20.676 6.477 13.215 1.00 0.00 C ATOM 995 CD1 TYR B 5 21.366 5.421 13.798 1.00 0.00 C ATOM 996 CD2 TYR B 5 19.383 6.737 13.652 1.00 0.00 C ATOM 997 CE1 TYR B 5 20.788 4.649 14.784 1.00 0.00 C ATOM 998 CE2 TYR B 5 18.799 5.972 14.642 1.00 0.00 C ATOM 999 CZ TYR B 5 19.506 4.929 15.203 1.00 0.00 C ATOM 1000 OH TYR B 5 18.921 4.160 16.182 1.00 0.00 O ATOM 0 H TYR B 5 21.821 9.566 14.318 1.00 0.00 H new ATOM 0 HA TYR B 5 22.956 7.980 13.335 1.00 0.00 H new ATOM 0 HB2 TYR B 5 20.516 7.767 11.531 1.00 0.00 H new ATOM 0 HB3 TYR B 5 21.862 6.648 11.456 1.00 0.00 H new ATOM 0 HD1 TYR B 5 22.372 5.201 13.473 1.00 0.00 H new ATOM 0 HD2 TYR B 5 18.826 7.550 13.210 1.00 0.00 H new ATOM 0 HE1 TYR B 5 21.337 3.830 15.225 1.00 0.00 H new ATOM 0 HE2 TYR B 5 17.795 6.189 14.975 1.00 0.00 H new ATOM 0 HH TYR B 5 18.016 4.492 16.362 1.00 0.00 H new ATOM 1010 N LYS B 6 22.371 9.117 10.312 1.00 0.00 N ATOM 1011 CA LYS B 6 23.016 9.568 9.091 1.00 0.00 C ATOM 1012 C LYS B 6 22.601 10.996 8.764 1.00 0.00 C ATOM 1013 O LYS B 6 23.426 11.908 8.781 1.00 0.00 O ATOM 1014 CB LYS B 6 22.671 8.624 7.936 1.00 0.00 C ATOM 1015 CG LYS B 6 22.970 7.168 8.248 1.00 0.00 C ATOM 1016 CD LYS B 6 22.612 6.259 7.085 1.00 0.00 C ATOM 1017 CE LYS B 6 22.867 4.796 7.416 1.00 0.00 C ATOM 1018 NZ LYS B 6 24.287 4.542 7.786 1.00 0.00 N ATOM 0 H LYS B 6 21.375 8.922 10.214 1.00 0.00 H new ATOM 0 HA LYS B 6 24.096 9.556 9.238 1.00 0.00 H new ATOM 0 HB2 LYS B 6 21.613 8.728 7.693 1.00 0.00 H new ATOM 0 HB3 LYS B 6 23.232 8.922 7.050 1.00 0.00 H new ATOM 0 HG2 LYS B 6 24.028 7.056 8.485 1.00 0.00 H new ATOM 0 HG3 LYS B 6 22.412 6.863 9.133 1.00 0.00 H new ATOM 0 HD2 LYS B 6 21.562 6.396 6.826 1.00 0.00 H new ATOM 0 HD3 LYS B 6 23.196 6.541 6.209 1.00 0.00 H new ATOM 0 HE2 LYS B 6 22.219 4.493 8.239 1.00 0.00 H new ATOM 0 HE3 LYS B 6 22.601 4.179 6.557 1.00 0.00 H new ATOM 0 HZ1 LYS B 6 24.459 3.517 7.821 1.00 0.00 H new ATOM 0 HZ2 LYS B 6 24.913 4.974 7.077 1.00 0.00 H new ATOM 0 HZ3 LYS B 6 24.482 4.958 8.719 1.00 0.00 H new ATOM 1032 N LEU B 7 21.317 11.183 8.474 1.00 0.00 N ATOM 1033 CA LEU B 7 20.783 12.505 8.173 1.00 0.00 C ATOM 1034 C LEU B 7 19.319 12.598 8.605 1.00 0.00 C ATOM 1035 O LEU B 7 18.999 13.246 9.595 1.00 0.00 O ATOM 1036 CB LEU B 7 20.947 12.866 6.679 1.00 0.00 C ATOM 1037 CG LEU B 7 20.320 11.910 5.652 1.00 0.00 C ATOM 1038 CD1 LEU B 7 20.104 12.638 4.335 1.00 0.00 C ATOM 1039 CD2 LEU B 7 21.201 10.690 5.429 1.00 0.00 C ATOM 0 H LEU B 7 20.626 10.433 8.441 1.00 0.00 H new ATOM 0 HA LEU B 7 21.360 13.234 8.741 1.00 0.00 H new ATOM 0 HB2 LEU B 7 20.521 13.857 6.522 1.00 0.00 H new ATOM 0 HB3 LEU B 7 22.013 12.940 6.465 1.00 0.00 H new ATOM 0 HG LEU B 7 19.361 11.571 6.043 1.00 0.00 H new ATOM 0 HD11 LEU B 7 19.659 11.956 3.611 1.00 0.00 H new ATOM 0 HD12 LEU B 7 19.436 13.485 4.493 1.00 0.00 H new ATOM 0 HD13 LEU B 7 21.061 12.996 3.956 1.00 0.00 H new ATOM 0 HD21 LEU B 7 20.732 10.031 4.698 1.00 0.00 H new ATOM 0 HD22 LEU B 7 22.176 11.008 5.059 1.00 0.00 H new ATOM 0 HD23 LEU B 7 21.327 10.155 6.370 1.00 0.00 H new ATOM 1051 N LEU B 8 18.443 11.925 7.879 1.00 0.00 N ATOM 1052 CA LEU B 8 17.022 11.929 8.189 1.00 0.00 C ATOM 1053 C LEU B 8 16.457 10.533 7.998 1.00 0.00 C ATOM 1054 O LEU B 8 15.956 10.190 6.927 1.00 0.00 O ATOM 1055 CB LEU B 8 16.276 12.926 7.293 1.00 0.00 C ATOM 1056 CG LEU B 8 16.630 14.401 7.508 1.00 0.00 C ATOM 1057 CD1 LEU B 8 15.942 15.274 6.470 1.00 0.00 C ATOM 1058 CD2 LEU B 8 16.238 14.849 8.909 1.00 0.00 C ATOM 0 H LEU B 8 18.693 11.364 7.064 1.00 0.00 H new ATOM 0 HA LEU B 8 16.889 12.235 9.227 1.00 0.00 H new ATOM 0 HB2 LEU B 8 16.475 12.671 6.252 1.00 0.00 H new ATOM 0 HB3 LEU B 8 15.205 12.801 7.453 1.00 0.00 H new ATOM 0 HG LEU B 8 17.709 14.509 7.396 1.00 0.00 H new ATOM 0 HD11 LEU B 8 16.206 16.318 6.640 1.00 0.00 H new ATOM 0 HD12 LEU B 8 16.264 14.976 5.472 1.00 0.00 H new ATOM 0 HD13 LEU B 8 14.862 15.155 6.553 1.00 0.00 H new ATOM 0 HD21 LEU B 8 16.498 15.899 9.041 1.00 0.00 H new ATOM 0 HD22 LEU B 8 15.164 14.721 9.045 1.00 0.00 H new ATOM 0 HD23 LEU B 8 16.771 14.248 9.646 1.00 0.00 H new ATOM 1070 N ASN B 9 16.548 9.725 9.041 1.00 0.00 N ATOM 1071 CA ASN B 9 16.092 8.343 8.981 1.00 0.00 C ATOM 1072 C ASN B 9 14.586 8.269 9.225 1.00 0.00 C ATOM 1073 O ASN B 9 14.109 7.504 10.065 1.00 0.00 O ATOM 1074 CB ASN B 9 16.846 7.477 10.003 1.00 0.00 C ATOM 1075 CG ASN B 9 18.339 7.374 9.717 1.00 0.00 C ATOM 1076 OD1 ASN B 9 18.962 8.309 9.207 1.00 0.00 O ATOM 1077 ND2 ASN B 9 18.921 6.225 10.019 1.00 0.00 N ATOM 0 H ASN B 9 16.935 10.002 9.943 1.00 0.00 H new ATOM 0 HA ASN B 9 16.302 7.955 7.984 1.00 0.00 H new ATOM 0 HB2 ASN B 9 16.701 7.894 11.000 1.00 0.00 H new ATOM 0 HB3 ASN B 9 16.414 6.476 10.010 1.00 0.00 H new ATOM 0 HD21 ASN B 9 19.915 6.092 9.831 1.00 0.00 H new ATOM 0 HD22 ASN B 9 18.376 5.472 10.440 1.00 0.00 H new ATOM 1084 N GLY B 10 13.850 9.076 8.479 1.00 0.00 N ATOM 1085 CA GLY B 10 12.407 9.117 8.584 1.00 0.00 C ATOM 1086 C GLY B 10 11.815 9.838 7.394 1.00 0.00 C ATOM 1087 O GLY B 10 11.935 11.058 7.282 1.00 0.00 O ATOM 0 H GLY B 10 14.237 9.718 7.787 1.00 0.00 H new ATOM 0 HA2 GLY B 10 12.010 8.103 8.638 1.00 0.00 H new ATOM 0 HA3 GLY B 10 12.117 9.622 9.505 1.00 0.00 H new ATOM 1091 N ILE B 11 11.189 9.087 6.500 1.00 0.00 N ATOM 1092 CA ILE B 11 10.769 9.623 5.213 1.00 0.00 C ATOM 1093 C ILE B 11 9.257 9.538 5.066 1.00 0.00 C ATOM 1094 O ILE B 11 8.644 8.537 5.442 1.00 0.00 O ATOM 1095 CB ILE B 11 11.438 8.864 4.040 1.00 0.00 C ATOM 1096 CG1 ILE B 11 12.955 8.758 4.245 1.00 0.00 C ATOM 1097 CG2 ILE B 11 11.135 9.557 2.719 1.00 0.00 C ATOM 1098 CD1 ILE B 11 13.668 10.098 4.251 1.00 0.00 C ATOM 0 H ILE B 11 10.960 8.103 6.642 1.00 0.00 H new ATOM 0 HA ILE B 11 11.081 10.667 5.179 1.00 0.00 H new ATOM 0 HB ILE B 11 11.026 7.855 4.014 1.00 0.00 H new ATOM 0 HG12 ILE B 11 13.150 8.249 5.189 1.00 0.00 H new ATOM 0 HG13 ILE B 11 13.376 8.136 3.455 1.00 0.00 H new ATOM 0 HG21 ILE B 11 11.612 9.012 1.904 1.00 0.00 H new ATOM 0 HG22 ILE B 11 10.057 9.579 2.559 1.00 0.00 H new ATOM 0 HG23 ILE B 11 11.519 10.577 2.747 1.00 0.00 H new ATOM 0 HD11 ILE B 11 14.736 9.941 4.401 1.00 0.00 H new ATOM 0 HD12 ILE B 11 13.505 10.601 3.298 1.00 0.00 H new ATOM 0 HD13 ILE B 11 13.275 10.715 5.059 1.00 0.00 H new ATOM 1110 N LYS B 12 8.664 10.586 4.511 1.00 0.00 N ATOM 1111 CA LYS B 12 7.222 10.673 4.385 1.00 0.00 C ATOM 1112 C LYS B 12 6.807 10.355 2.959 1.00 0.00 C ATOM 1113 O LYS B 12 7.332 10.928 2.001 1.00 0.00 O ATOM 1114 CB LYS B 12 6.753 12.076 4.794 1.00 0.00 C ATOM 1115 CG LYS B 12 5.252 12.212 5.025 1.00 0.00 C ATOM 1116 CD LYS B 12 4.486 12.417 3.729 1.00 0.00 C ATOM 1117 CE LYS B 12 3.046 12.822 3.991 1.00 0.00 C ATOM 1118 NZ LYS B 12 2.963 14.068 4.802 1.00 0.00 N ATOM 0 H LYS B 12 9.167 11.392 4.139 1.00 0.00 H new ATOM 0 HA LYS B 12 6.753 9.945 5.046 1.00 0.00 H new ATOM 0 HB2 LYS B 12 7.274 12.365 5.707 1.00 0.00 H new ATOM 0 HB3 LYS B 12 7.052 12.783 4.020 1.00 0.00 H new ATOM 0 HG2 LYS B 12 4.881 11.318 5.526 1.00 0.00 H new ATOM 0 HG3 LYS B 12 5.064 13.053 5.693 1.00 0.00 H new ATOM 0 HD2 LYS B 12 4.978 13.185 3.132 1.00 0.00 H new ATOM 0 HD3 LYS B 12 4.506 11.497 3.144 1.00 0.00 H new ATOM 0 HE2 LYS B 12 2.531 12.971 3.042 1.00 0.00 H new ATOM 0 HE3 LYS B 12 2.530 12.015 4.510 1.00 0.00 H new ATOM 0 HZ1 LYS B 12 2.050 14.535 4.629 1.00 0.00 H new ATOM 0 HZ2 LYS B 12 3.045 13.831 5.811 1.00 0.00 H new ATOM 0 HZ3 LYS B 12 3.736 14.710 4.533 1.00 0.00 H new ATOM 1132 N LEU B 13 5.883 9.423 2.827 1.00 0.00 N ATOM 1133 CA LEU B 13 5.376 9.021 1.529 1.00 0.00 C ATOM 1134 C LEU B 13 3.857 9.066 1.519 1.00 0.00 C ATOM 1135 O LEU B 13 3.212 8.789 2.533 1.00 0.00 O ATOM 1136 CB LEU B 13 5.875 7.617 1.165 1.00 0.00 C ATOM 1137 CG LEU B 13 5.824 6.588 2.296 1.00 0.00 C ATOM 1138 CD1 LEU B 13 5.619 5.193 1.734 1.00 0.00 C ATOM 1139 CD2 LEU B 13 7.109 6.641 3.116 1.00 0.00 C ATOM 0 H LEU B 13 5.464 8.925 3.612 1.00 0.00 H new ATOM 0 HA LEU B 13 5.749 9.720 0.781 1.00 0.00 H new ATOM 0 HB2 LEU B 13 5.281 7.244 0.330 1.00 0.00 H new ATOM 0 HB3 LEU B 13 6.904 7.695 0.814 1.00 0.00 H new ATOM 0 HG LEU B 13 4.982 6.829 2.946 1.00 0.00 H new ATOM 0 HD11 LEU B 13 5.585 4.473 2.551 1.00 0.00 H new ATOM 0 HD12 LEU B 13 4.681 5.158 1.180 1.00 0.00 H new ATOM 0 HD13 LEU B 13 6.444 4.945 1.066 1.00 0.00 H new ATOM 0 HD21 LEU B 13 7.060 5.904 3.918 1.00 0.00 H new ATOM 0 HD22 LEU B 13 7.961 6.421 2.472 1.00 0.00 H new ATOM 0 HD23 LEU B 13 7.226 7.636 3.545 1.00 0.00 H new ATOM 1151 N GLY B 14 3.295 9.417 0.372 1.00 0.00 N ATOM 1152 CA GLY B 14 1.860 9.533 0.251 1.00 0.00 C ATOM 1153 C GLY B 14 1.249 8.336 -0.440 1.00 0.00 C ATOM 1154 O GLY B 14 1.640 7.981 -1.551 1.00 0.00 O ATOM 0 H GLY B 14 3.813 9.625 -0.482 1.00 0.00 H new ATOM 0 HA2 GLY B 14 1.421 9.642 1.243 1.00 0.00 H new ATOM 0 HA3 GLY B 14 1.616 10.437 -0.307 1.00 0.00 H new ATOM 1158 N VAL B 15 0.298 7.709 0.228 1.00 0.00 N ATOM 1159 CA VAL B 15 -0.355 6.521 -0.288 1.00 0.00 C ATOM 1160 C VAL B 15 -1.794 6.848 -0.683 1.00 0.00 C ATOM 1161 O VAL B 15 -2.375 7.812 -0.177 1.00 0.00 O ATOM 1162 CB VAL B 15 -0.348 5.382 0.764 1.00 0.00 C ATOM 1163 CG1 VAL B 15 -0.815 4.069 0.158 1.00 0.00 C ATOM 1164 CG2 VAL B 15 1.033 5.225 1.385 1.00 0.00 C ATOM 0 H VAL B 15 -0.043 8.009 1.142 1.00 0.00 H new ATOM 0 HA VAL B 15 0.196 6.183 -1.166 1.00 0.00 H new ATOM 0 HB VAL B 15 -1.049 5.656 1.552 1.00 0.00 H new ATOM 0 HG11 VAL B 15 -0.799 3.290 0.920 1.00 0.00 H new ATOM 0 HG12 VAL B 15 -1.830 4.184 -0.222 1.00 0.00 H new ATOM 0 HG13 VAL B 15 -0.151 3.789 -0.660 1.00 0.00 H new ATOM 0 HG21 VAL B 15 1.012 4.420 2.120 1.00 0.00 H new ATOM 0 HG22 VAL B 15 1.757 4.987 0.606 1.00 0.00 H new ATOM 0 HG23 VAL B 15 1.320 6.156 1.875 1.00 0.00 H new ATOM 1174 N TYR B 16 -2.357 6.061 -1.593 1.00 0.00 N ATOM 1175 CA TYR B 16 -3.748 6.224 -1.996 1.00 0.00 C ATOM 1176 C TYR B 16 -4.458 4.883 -2.071 1.00 0.00 C ATOM 1177 O TYR B 16 -4.014 3.966 -2.771 1.00 0.00 O ATOM 1178 CB TYR B 16 -3.850 6.927 -3.345 1.00 0.00 C ATOM 1179 CG TYR B 16 -4.087 8.410 -3.227 1.00 0.00 C ATOM 1180 CD1 TYR B 16 -5.308 8.891 -2.785 1.00 0.00 C ATOM 1181 CD2 TYR B 16 -3.094 9.327 -3.553 1.00 0.00 C ATOM 1182 CE1 TYR B 16 -5.543 10.243 -2.672 1.00 0.00 C ATOM 1183 CE2 TYR B 16 -3.321 10.685 -3.441 1.00 0.00 C ATOM 1184 CZ TYR B 16 -4.547 11.139 -3.001 1.00 0.00 C ATOM 1185 OH TYR B 16 -4.779 12.495 -2.893 1.00 0.00 O ATOM 0 H TYR B 16 -1.869 5.301 -2.067 1.00 0.00 H new ATOM 0 HA TYR B 16 -4.233 6.839 -1.238 1.00 0.00 H new ATOM 0 HB2 TYR B 16 -2.931 6.756 -3.906 1.00 0.00 H new ATOM 0 HB3 TYR B 16 -4.662 6.481 -3.919 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -6.090 8.193 -2.524 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -2.134 8.973 -3.898 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -6.502 10.600 -2.328 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -2.542 11.388 -3.697 1.00 0.00 H new ATOM 0 HH TYR B 16 -3.975 12.987 -3.162 1.00 0.00 H new ATOM 1195 N ILE B 17 -5.563 4.775 -1.338 1.00 0.00 N ATOM 1196 CA ILE B 17 -6.364 3.555 -1.312 1.00 0.00 C ATOM 1197 C ILE B 17 -7.845 3.893 -1.131 1.00 0.00 C ATOM 1198 O ILE B 17 -8.179 4.985 -0.657 1.00 0.00 O ATOM 1199 CB ILE B 17 -5.916 2.587 -0.192 1.00 0.00 C ATOM 1200 CG1 ILE B 17 -5.946 3.269 1.174 1.00 0.00 C ATOM 1201 CG2 ILE B 17 -4.526 2.040 -0.477 1.00 0.00 C ATOM 1202 CD1 ILE B 17 -5.494 2.369 2.302 1.00 0.00 C ATOM 0 H ILE B 17 -5.926 5.525 -0.750 1.00 0.00 H new ATOM 0 HA ILE B 17 -6.214 3.055 -2.269 1.00 0.00 H new ATOM 0 HB ILE B 17 -6.621 1.756 -0.172 1.00 0.00 H new ATOM 0 HG12 ILE B 17 -5.308 4.152 1.145 1.00 0.00 H new ATOM 0 HG13 ILE B 17 -6.960 3.614 1.378 1.00 0.00 H new ATOM 0 HG21 ILE B 17 -4.231 1.361 0.323 1.00 0.00 H new ATOM 0 HG22 ILE B 17 -4.534 1.502 -1.425 1.00 0.00 H new ATOM 0 HG23 ILE B 17 -3.815 2.864 -0.534 1.00 0.00 H new ATOM 0 HD11 ILE B 17 -5.539 2.915 3.244 1.00 0.00 H new ATOM 0 HD12 ILE B 17 -6.147 1.498 2.356 1.00 0.00 H new ATOM 0 HD13 ILE B 17 -4.470 2.044 2.120 1.00 0.00 H new ATOM 1214 N PRO B 18 -8.746 2.964 -1.508 1.00 0.00 N ATOM 1215 CA PRO B 18 -10.201 3.176 -1.452 1.00 0.00 C ATOM 1216 C PRO B 18 -10.713 3.545 -0.060 1.00 0.00 C ATOM 1217 O PRO B 18 -10.069 3.273 0.959 1.00 0.00 O ATOM 1218 CB PRO B 18 -10.787 1.826 -1.894 1.00 0.00 C ATOM 1219 CG PRO B 18 -9.669 0.850 -1.767 1.00 0.00 C ATOM 1220 CD PRO B 18 -8.418 1.630 -2.034 1.00 0.00 C ATOM 0 HA PRO B 18 -10.494 4.016 -2.081 1.00 0.00 H new ATOM 0 HB2 PRO B 18 -11.632 1.540 -1.267 1.00 0.00 H new ATOM 0 HB3 PRO B 18 -11.153 1.873 -2.920 1.00 0.00 H new ATOM 0 HG2 PRO B 18 -9.648 0.405 -0.772 1.00 0.00 H new ATOM 0 HG3 PRO B 18 -9.780 0.032 -2.479 1.00 0.00 H new ATOM 0 HD2 PRO B 18 -7.556 1.197 -1.528 1.00 0.00 H new ATOM 0 HD3 PRO B 18 -8.181 1.662 -3.097 1.00 0.00 H new ATOM 1228 N GLN B 19 -11.890 4.163 -0.032 1.00 0.00 N ATOM 1229 CA GLN B 19 -12.515 4.597 1.208 1.00 0.00 C ATOM 1230 C GLN B 19 -12.909 3.389 2.049 1.00 0.00 C ATOM 1231 O GLN B 19 -12.807 3.416 3.275 1.00 0.00 O ATOM 1232 CB GLN B 19 -13.736 5.472 0.887 1.00 0.00 C ATOM 1233 CG GLN B 19 -14.431 6.082 2.099 1.00 0.00 C ATOM 1234 CD GLN B 19 -15.648 5.292 2.551 1.00 0.00 C ATOM 1235 OE1 GLN B 19 -16.760 5.521 2.079 1.00 0.00 O ATOM 1236 NE2 GLN B 19 -15.449 4.362 3.470 1.00 0.00 N ATOM 0 H GLN B 19 -12.435 4.376 -0.868 1.00 0.00 H new ATOM 0 HA GLN B 19 -11.806 5.189 1.787 1.00 0.00 H new ATOM 0 HB2 GLN B 19 -13.422 6.278 0.224 1.00 0.00 H new ATOM 0 HB3 GLN B 19 -14.460 4.871 0.337 1.00 0.00 H new ATOM 0 HG2 GLN B 19 -13.721 6.146 2.923 1.00 0.00 H new ATOM 0 HG3 GLN B 19 -14.735 7.101 1.861 1.00 0.00 H new ATOM 0 HE21 GLN B 19 -14.511 4.201 3.838 1.00 0.00 H new ATOM 0 HE22 GLN B 19 -16.233 3.806 3.811 1.00 0.00 H new ATOM 1245 N GLU B 20 -13.336 2.330 1.372 1.00 0.00 N ATOM 1246 CA GLU B 20 -13.715 1.071 2.014 1.00 0.00 C ATOM 1247 C GLU B 20 -12.562 0.516 2.846 1.00 0.00 C ATOM 1248 O GLU B 20 -12.769 -0.113 3.891 1.00 0.00 O ATOM 1249 CB GLU B 20 -14.130 0.044 0.952 1.00 0.00 C ATOM 1250 CG GLU B 20 -15.420 0.388 0.209 1.00 0.00 C ATOM 1251 CD GLU B 20 -15.391 1.756 -0.456 1.00 0.00 C ATOM 1252 OE1 GLU B 20 -14.402 2.061 -1.163 1.00 0.00 O ATOM 1253 OE2 GLU B 20 -16.337 2.544 -0.236 1.00 0.00 O ATOM 0 H GLU B 20 -13.431 2.317 0.356 1.00 0.00 H new ATOM 0 HA GLU B 20 -14.558 1.266 2.677 1.00 0.00 H new ATOM 0 HB2 GLU B 20 -13.323 -0.056 0.226 1.00 0.00 H new ATOM 0 HB3 GLU B 20 -14.250 -0.928 1.431 1.00 0.00 H new ATOM 0 HG2 GLU B 20 -15.607 -0.372 -0.550 1.00 0.00 H new ATOM 0 HG3 GLU B 20 -16.254 0.351 0.909 1.00 0.00 H new ATOM 1260 N TRP B 21 -11.346 0.804 2.403 1.00 0.00 N ATOM 1261 CA TRP B 21 -10.155 0.351 3.099 1.00 0.00 C ATOM 1262 C TRP B 21 -9.917 1.230 4.309 1.00 0.00 C ATOM 1263 O TRP B 21 -9.708 0.731 5.404 1.00 0.00 O ATOM 1264 CB TRP B 21 -8.938 0.406 2.174 1.00 0.00 C ATOM 1265 CG TRP B 21 -8.595 -0.898 1.522 1.00 0.00 C ATOM 1266 CD1 TRP B 21 -9.421 -1.960 1.285 1.00 0.00 C ATOM 1267 CD2 TRP B 21 -7.312 -1.268 1.022 1.00 0.00 C ATOM 1268 NE1 TRP B 21 -8.722 -2.969 0.663 1.00 0.00 N ATOM 1269 CE2 TRP B 21 -7.422 -2.566 0.494 1.00 0.00 C ATOM 1270 CE3 TRP B 21 -6.080 -0.624 0.974 1.00 0.00 C ATOM 1271 CZ2 TRP B 21 -6.338 -3.226 -0.079 1.00 0.00 C ATOM 1272 CZ3 TRP B 21 -5.009 -1.275 0.407 1.00 0.00 C ATOM 1273 CH2 TRP B 21 -5.140 -2.562 -0.111 1.00 0.00 C ATOM 0 H TRP B 21 -11.161 1.351 1.562 1.00 0.00 H new ATOM 0 HA TRP B 21 -10.302 -0.681 3.416 1.00 0.00 H new ATOM 0 HB2 TRP B 21 -9.121 1.149 1.398 1.00 0.00 H new ATOM 0 HB3 TRP B 21 -8.077 0.749 2.747 1.00 0.00 H new ATOM 0 HD1 TRP B 21 -10.468 -2.002 1.547 1.00 0.00 H new ATOM 0 HE1 TRP B 21 -9.107 -3.868 0.375 1.00 0.00 H new ATOM 0 HE3 TRP B 21 -5.966 0.372 1.376 1.00 0.00 H new ATOM 0 HZ2 TRP B 21 -6.438 -4.223 -0.483 1.00 0.00 H new ATOM 0 HZ3 TRP B 21 -4.050 -0.780 0.363 1.00 0.00 H new ATOM 0 HH2 TRP B 21 -4.279 -3.046 -0.547 1.00 0.00 H new ATOM 1284 N HIS B 22 -9.994 2.542 4.110 1.00 0.00 N ATOM 1285 CA HIS B 22 -9.848 3.493 5.211 1.00 0.00 C ATOM 1286 C HIS B 22 -10.864 3.204 6.308 1.00 0.00 C ATOM 1287 O HIS B 22 -10.555 3.308 7.491 1.00 0.00 O ATOM 1288 CB HIS B 22 -10.022 4.932 4.720 1.00 0.00 C ATOM 1289 CG HIS B 22 -8.804 5.502 4.061 1.00 0.00 C ATOM 1290 ND1 HIS B 22 -8.052 6.506 4.624 1.00 0.00 N ATOM 1291 CD2 HIS B 22 -8.211 5.212 2.877 1.00 0.00 C ATOM 1292 CE1 HIS B 22 -7.050 6.810 3.822 1.00 0.00 C ATOM 1293 NE2 HIS B 22 -7.124 6.040 2.753 1.00 0.00 N ATOM 0 H HIS B 22 -10.156 2.972 3.199 1.00 0.00 H new ATOM 0 HA HIS B 22 -8.842 3.379 5.615 1.00 0.00 H new ATOM 0 HB2 HIS B 22 -10.853 4.967 4.016 1.00 0.00 H new ATOM 0 HB3 HIS B 22 -10.294 5.563 5.566 1.00 0.00 H new ATOM 0 HD1 HIS B 22 -8.240 6.948 5.524 1.00 0.00 H new ATOM 0 HD2 HIS B 22 -8.534 4.468 2.164 1.00 0.00 H new ATOM 0 HE1 HIS B 22 -6.297 7.561 4.009 1.00 0.00 H new ATOM 1302 N ASP B 23 -12.065 2.824 5.892 1.00 0.00 N ATOM 1303 CA ASP B 23 -13.156 2.513 6.809 1.00 0.00 C ATOM 1304 C ASP B 23 -12.753 1.395 7.765 1.00 0.00 C ATOM 1305 O ASP B 23 -12.727 1.578 8.990 1.00 0.00 O ATOM 1306 CB ASP B 23 -14.393 2.096 6.005 1.00 0.00 C ATOM 1307 CG ASP B 23 -15.658 2.042 6.838 1.00 0.00 C ATOM 1308 OD1 ASP B 23 -15.814 1.106 7.644 1.00 0.00 O ATOM 1309 OD2 ASP B 23 -16.518 2.934 6.665 1.00 0.00 O ATOM 0 H ASP B 23 -12.311 2.722 4.907 1.00 0.00 H new ATOM 0 HA ASP B 23 -13.386 3.400 7.399 1.00 0.00 H new ATOM 0 HB2 ASP B 23 -14.537 2.797 5.183 1.00 0.00 H new ATOM 0 HB3 ASP B 23 -14.216 1.116 5.561 1.00 0.00 H new ATOM 1314 N ARG B 24 -12.383 0.251 7.201 1.00 0.00 N ATOM 1315 CA ARG B 24 -12.071 -0.917 8.013 1.00 0.00 C ATOM 1316 C ARG B 24 -10.701 -0.802 8.676 1.00 0.00 C ATOM 1317 O ARG B 24 -10.495 -1.331 9.768 1.00 0.00 O ATOM 1318 CB ARG B 24 -12.152 -2.203 7.187 1.00 0.00 C ATOM 1319 CG ARG B 24 -13.560 -2.766 7.083 1.00 0.00 C ATOM 1320 CD ARG B 24 -14.473 -1.878 6.253 1.00 0.00 C ATOM 1321 NE ARG B 24 -15.884 -2.219 6.451 1.00 0.00 N ATOM 1322 CZ ARG B 24 -16.783 -2.414 5.480 1.00 0.00 C ATOM 1323 NH1 ARG B 24 -16.454 -2.315 4.192 1.00 0.00 N ATOM 1324 NH2 ARG B 24 -18.034 -2.703 5.810 1.00 0.00 N ATOM 0 H ARG B 24 -12.293 0.108 6.195 1.00 0.00 H new ATOM 0 HA ARG B 24 -12.822 -0.961 8.802 1.00 0.00 H new ATOM 0 HB2 ARG B 24 -11.772 -2.007 6.184 1.00 0.00 H new ATOM 0 HB3 ARG B 24 -11.500 -2.954 7.633 1.00 0.00 H new ATOM 0 HG2 ARG B 24 -13.520 -3.760 6.638 1.00 0.00 H new ATOM 0 HG3 ARG B 24 -13.978 -2.881 8.083 1.00 0.00 H new ATOM 0 HD2 ARG B 24 -14.309 -0.835 6.522 1.00 0.00 H new ATOM 0 HD3 ARG B 24 -14.218 -1.979 5.198 1.00 0.00 H new ATOM 0 HE ARG B 24 -16.209 -2.316 7.413 1.00 0.00 H new ATOM 0 HH11 ARG B 24 -15.496 -2.085 3.926 1.00 0.00 H new ATOM 0 HH12 ARG B 24 -17.160 -2.469 3.472 1.00 0.00 H new ATOM 0 HH21 ARG B 24 -18.299 -2.774 6.792 1.00 0.00 H new ATOM 0 HH22 ARG B 24 -18.732 -2.855 5.081 1.00 0.00 H new ATOM 1338 N LEU B 25 -9.772 -0.102 8.031 1.00 0.00 N ATOM 1339 CA LEU B 25 -8.448 0.104 8.608 1.00 0.00 C ATOM 1340 C LEU B 25 -8.548 0.902 9.895 1.00 0.00 C ATOM 1341 O LEU B 25 -7.933 0.551 10.895 1.00 0.00 O ATOM 1342 CB LEU B 25 -7.521 0.837 7.636 1.00 0.00 C ATOM 1343 CG LEU B 25 -7.073 0.031 6.415 1.00 0.00 C ATOM 1344 CD1 LEU B 25 -6.152 0.870 5.548 1.00 0.00 C ATOM 1345 CD2 LEU B 25 -6.375 -1.251 6.843 1.00 0.00 C ATOM 0 H LEU B 25 -9.910 0.329 7.117 1.00 0.00 H new ATOM 0 HA LEU B 25 -8.029 -0.880 8.816 1.00 0.00 H new ATOM 0 HB2 LEU B 25 -8.027 1.738 7.289 1.00 0.00 H new ATOM 0 HB3 LEU B 25 -6.634 1.160 8.181 1.00 0.00 H new ATOM 0 HG LEU B 25 -7.955 -0.239 5.835 1.00 0.00 H new ATOM 0 HD11 LEU B 25 -5.838 0.288 4.681 1.00 0.00 H new ATOM 0 HD12 LEU B 25 -6.680 1.763 5.214 1.00 0.00 H new ATOM 0 HD13 LEU B 25 -5.275 1.162 6.126 1.00 0.00 H new ATOM 0 HD21 LEU B 25 -6.065 -1.809 5.959 1.00 0.00 H new ATOM 0 HD22 LEU B 25 -5.499 -1.005 7.443 1.00 0.00 H new ATOM 0 HD23 LEU B 25 -7.061 -1.859 7.434 1.00 0.00 H new ATOM 1357 N MET B 26 -9.328 1.975 9.862 1.00 0.00 N ATOM 1358 CA MET B 26 -9.487 2.836 11.025 1.00 0.00 C ATOM 1359 C MET B 26 -10.144 2.096 12.179 1.00 0.00 C ATOM 1360 O MET B 26 -9.765 2.284 13.334 1.00 0.00 O ATOM 1361 CB MET B 26 -10.276 4.091 10.664 1.00 0.00 C ATOM 1362 CG MET B 26 -9.497 5.041 9.770 1.00 0.00 C ATOM 1363 SD MET B 26 -8.010 5.682 10.569 1.00 0.00 S ATOM 1364 CE MET B 26 -7.369 6.745 9.280 1.00 0.00 C ATOM 0 H MET B 26 -9.860 2.269 9.043 1.00 0.00 H new ATOM 0 HA MET B 26 -8.492 3.139 11.352 1.00 0.00 H new ATOM 0 HB2 MET B 26 -11.199 3.802 10.162 1.00 0.00 H new ATOM 0 HB3 MET B 26 -10.560 4.611 11.579 1.00 0.00 H new ATOM 0 HG2 MET B 26 -9.218 4.524 8.852 1.00 0.00 H new ATOM 0 HG3 MET B 26 -10.139 5.874 9.484 1.00 0.00 H new ATOM 0 HE1 MET B 26 -6.498 7.284 9.652 1.00 0.00 H new ATOM 0 HE2 MET B 26 -7.082 6.141 8.420 1.00 0.00 H new ATOM 0 HE3 MET B 26 -8.137 7.459 8.982 1.00 0.00 H new ATOM 1374 N GLU B 27 -11.106 1.239 11.874 1.00 0.00 N ATOM 1375 CA GLU B 27 -11.745 0.443 12.914 1.00 0.00 C ATOM 1376 C GLU B 27 -10.732 -0.489 13.573 1.00 0.00 C ATOM 1377 O GLU B 27 -10.670 -0.591 14.801 1.00 0.00 O ATOM 1378 CB GLU B 27 -12.907 -0.361 12.335 1.00 0.00 C ATOM 1379 CG GLU B 27 -14.102 0.491 11.946 1.00 0.00 C ATOM 1380 CD GLU B 27 -14.652 1.273 13.120 1.00 0.00 C ATOM 1381 OE1 GLU B 27 -15.081 0.643 14.110 1.00 0.00 O ATOM 1382 OE2 GLU B 27 -14.639 2.520 13.070 1.00 0.00 O ATOM 0 H GLU B 27 -11.458 1.077 10.931 1.00 0.00 H new ATOM 0 HA GLU B 27 -12.137 1.121 13.672 1.00 0.00 H new ATOM 0 HB2 GLU B 27 -12.559 -0.906 11.458 1.00 0.00 H new ATOM 0 HB3 GLU B 27 -13.224 -1.104 13.067 1.00 0.00 H new ATOM 0 HG2 GLU B 27 -13.811 1.182 11.155 1.00 0.00 H new ATOM 0 HG3 GLU B 27 -14.885 -0.148 11.539 1.00 0.00 H new ATOM 1389 N ILE B 28 -9.920 -1.138 12.751 1.00 0.00 N ATOM 1390 CA ILE B 28 -8.875 -2.022 13.244 1.00 0.00 C ATOM 1391 C ILE B 28 -7.836 -1.221 14.029 1.00 0.00 C ATOM 1392 O ILE B 28 -7.270 -1.694 15.021 1.00 0.00 O ATOM 1393 CB ILE B 28 -8.194 -2.770 12.072 1.00 0.00 C ATOM 1394 CG1 ILE B 28 -9.200 -3.701 11.384 1.00 0.00 C ATOM 1395 CG2 ILE B 28 -6.984 -3.558 12.553 1.00 0.00 C ATOM 1396 CD1 ILE B 28 -8.643 -4.412 10.166 1.00 0.00 C ATOM 0 H ILE B 28 -9.966 -1.068 11.734 1.00 0.00 H new ATOM 0 HA ILE B 28 -9.331 -2.759 13.906 1.00 0.00 H new ATOM 0 HB ILE B 28 -7.847 -2.030 11.351 1.00 0.00 H new ATOM 0 HG12 ILE B 28 -9.542 -4.446 12.103 1.00 0.00 H new ATOM 0 HG13 ILE B 28 -10.073 -3.121 11.086 1.00 0.00 H new ATOM 0 HG21 ILE B 28 -6.526 -4.073 11.709 1.00 0.00 H new ATOM 0 HG22 ILE B 28 -6.260 -2.876 12.999 1.00 0.00 H new ATOM 0 HG23 ILE B 28 -7.299 -4.290 13.297 1.00 0.00 H new ATOM 0 HD11 ILE B 28 -9.413 -5.052 9.734 1.00 0.00 H new ATOM 0 HD12 ILE B 28 -8.327 -3.675 9.427 1.00 0.00 H new ATOM 0 HD13 ILE B 28 -7.788 -5.021 10.460 1.00 0.00 H new ATOM 1408 N ALA B 29 -7.627 0.010 13.587 1.00 0.00 N ATOM 1409 CA ALA B 29 -6.640 0.899 14.175 1.00 0.00 C ATOM 1410 C ALA B 29 -6.976 1.219 15.624 1.00 0.00 C ATOM 1411 O ALA B 29 -6.086 1.358 16.468 1.00 0.00 O ATOM 1412 CB ALA B 29 -6.540 2.181 13.360 1.00 0.00 C ATOM 0 H ALA B 29 -8.140 0.421 12.807 1.00 0.00 H new ATOM 0 HA ALA B 29 -5.676 0.390 14.161 1.00 0.00 H new ATOM 0 HB1 ALA B 29 -5.798 2.841 13.809 1.00 0.00 H new ATOM 0 HB2 ALA B 29 -6.242 1.941 12.339 1.00 0.00 H new ATOM 0 HB3 ALA B 29 -7.509 2.681 13.347 1.00 0.00 H new ATOM 1418 N LYS B 30 -8.262 1.309 15.915 1.00 0.00 N ATOM 1419 CA LYS B 30 -8.713 1.670 17.249 1.00 0.00 C ATOM 1420 C LYS B 30 -8.655 0.464 18.173 1.00 0.00 C ATOM 1421 O LYS B 30 -8.289 0.577 19.344 1.00 0.00 O ATOM 1422 CB LYS B 30 -10.142 2.202 17.200 1.00 0.00 C ATOM 1423 CG LYS B 30 -10.350 3.273 16.139 1.00 0.00 C ATOM 1424 CD LYS B 30 -11.792 3.744 16.068 1.00 0.00 C ATOM 1425 CE LYS B 30 -12.185 4.537 17.302 1.00 0.00 C ATOM 1426 NZ LYS B 30 -11.340 5.751 17.476 1.00 0.00 N ATOM 0 H LYS B 30 -9.013 1.137 15.246 1.00 0.00 H new ATOM 0 HA LYS B 30 -8.053 2.448 17.633 1.00 0.00 H new ATOM 0 HB2 LYS B 30 -10.824 1.374 17.009 1.00 0.00 H new ATOM 0 HB3 LYS B 30 -10.403 2.611 18.176 1.00 0.00 H new ATOM 0 HG2 LYS B 30 -9.703 4.124 16.353 1.00 0.00 H new ATOM 0 HG3 LYS B 30 -10.050 2.881 15.167 1.00 0.00 H new ATOM 0 HD2 LYS B 30 -11.930 4.361 15.180 1.00 0.00 H new ATOM 0 HD3 LYS B 30 -12.452 2.882 15.964 1.00 0.00 H new ATOM 0 HE2 LYS B 30 -13.232 4.831 17.226 1.00 0.00 H new ATOM 0 HE3 LYS B 30 -12.096 3.903 18.184 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 -11.821 6.420 18.110 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 -10.424 5.480 17.888 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 -11.184 6.201 16.551 1.00 0.00 H new ATOM 1440 N GLU B 31 -9.024 -0.688 17.637 1.00 0.00 N ATOM 1441 CA GLU B 31 -9.024 -1.924 18.403 1.00 0.00 C ATOM 1442 C GLU B 31 -7.619 -2.318 18.850 1.00 0.00 C ATOM 1443 O GLU B 31 -7.364 -2.554 20.031 1.00 0.00 O ATOM 1444 CB GLU B 31 -9.578 -3.072 17.572 1.00 0.00 C ATOM 1445 CG GLU B 31 -10.997 -2.889 17.092 1.00 0.00 C ATOM 1446 CD GLU B 31 -11.484 -4.122 16.365 1.00 0.00 C ATOM 1447 OE1 GLU B 31 -10.969 -4.409 15.264 1.00 0.00 O ATOM 1448 OE2 GLU B 31 -12.347 -4.838 16.914 1.00 0.00 O ATOM 0 H GLU B 31 -9.329 -0.793 16.669 1.00 0.00 H new ATOM 0 HA GLU B 31 -9.648 -1.742 19.278 1.00 0.00 H new ATOM 0 HB2 GLU B 31 -8.933 -3.216 16.705 1.00 0.00 H new ATOM 0 HB3 GLU B 31 -9.526 -3.986 18.163 1.00 0.00 H new ATOM 0 HG2 GLU B 31 -11.648 -2.682 17.941 1.00 0.00 H new ATOM 0 HG3 GLU B 31 -11.052 -2.025 16.429 1.00 0.00 H new ATOM 1455 N LYS B 32 -6.718 -2.392 17.881 1.00 0.00 N ATOM 1456 CA LYS B 32 -5.426 -3.038 18.069 1.00 0.00 C ATOM 1457 C LYS B 32 -4.313 -2.059 18.434 1.00 0.00 C ATOM 1458 O LYS B 32 -3.162 -2.464 18.617 1.00 0.00 O ATOM 1459 CB LYS B 32 -5.078 -3.844 16.817 1.00 0.00 C ATOM 1460 CG LYS B 32 -6.066 -4.972 16.567 1.00 0.00 C ATOM 1461 CD LYS B 32 -5.901 -5.591 15.193 1.00 0.00 C ATOM 1462 CE LYS B 32 -6.904 -6.715 14.965 1.00 0.00 C ATOM 1463 NZ LYS B 32 -8.307 -6.285 15.233 1.00 0.00 N ATOM 0 H LYS B 32 -6.860 -2.008 16.947 1.00 0.00 H new ATOM 0 HA LYS B 32 -5.510 -3.710 18.923 1.00 0.00 H new ATOM 0 HB2 LYS B 32 -5.061 -3.180 15.953 1.00 0.00 H new ATOM 0 HB3 LYS B 32 -4.075 -4.258 16.921 1.00 0.00 H new ATOM 0 HG2 LYS B 32 -5.934 -5.742 17.327 1.00 0.00 H new ATOM 0 HG3 LYS B 32 -7.082 -4.591 16.671 1.00 0.00 H new ATOM 0 HD2 LYS B 32 -6.031 -4.825 14.429 1.00 0.00 H new ATOM 0 HD3 LYS B 32 -4.888 -5.978 15.086 1.00 0.00 H new ATOM 0 HE2 LYS B 32 -6.824 -7.067 13.936 1.00 0.00 H new ATOM 0 HE3 LYS B 32 -6.655 -7.558 15.610 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 -8.966 -6.990 14.845 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 -8.454 -6.201 16.259 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 -8.480 -5.364 14.782 1.00 0.00 H new ATOM 1477 N ASN B 33 -4.664 -0.776 18.510 1.00 0.00 N ATOM 1478 CA ASN B 33 -3.721 0.282 18.882 1.00 0.00 C ATOM 1479 C ASN B 33 -2.687 0.479 17.777 1.00 0.00 C ATOM 1480 O ASN B 33 -1.475 0.412 17.995 1.00 0.00 O ATOM 1481 CB ASN B 33 -3.048 -0.034 20.226 1.00 0.00 C ATOM 1482 CG ASN B 33 -2.124 1.069 20.707 1.00 0.00 C ATOM 1483 OD1 ASN B 33 -2.313 2.246 20.398 1.00 0.00 O ATOM 1484 ND2 ASN B 33 -1.116 0.692 21.469 1.00 0.00 N ATOM 0 H ASN B 33 -5.607 -0.440 18.316 1.00 0.00 H new ATOM 0 HA ASN B 33 -4.272 1.215 19.002 1.00 0.00 H new ATOM 0 HB2 ASN B 33 -3.818 -0.208 20.978 1.00 0.00 H new ATOM 0 HB3 ASN B 33 -2.480 -0.959 20.132 1.00 0.00 H new ATOM 0 HD21 ASN B 33 -0.458 1.386 21.825 1.00 0.00 H new ATOM 0 HD22 ASN B 33 -0.994 -0.293 21.702 1.00 0.00 H new ATOM 1491 N LEU B 34 -3.196 0.722 16.583 1.00 0.00 N ATOM 1492 CA LEU B 34 -2.372 0.906 15.401 1.00 0.00 C ATOM 1493 C LEU B 34 -2.879 2.094 14.602 1.00 0.00 C ATOM 1494 O LEU B 34 -3.960 2.607 14.864 1.00 0.00 O ATOM 1495 CB LEU B 34 -2.405 -0.351 14.526 1.00 0.00 C ATOM 1496 CG LEU B 34 -1.791 -1.603 15.154 1.00 0.00 C ATOM 1497 CD1 LEU B 34 -2.065 -2.818 14.283 1.00 0.00 C ATOM 1498 CD2 LEU B 34 -0.294 -1.419 15.347 1.00 0.00 C ATOM 0 H LEU B 34 -4.197 0.798 16.404 1.00 0.00 H new ATOM 0 HA LEU B 34 -1.345 1.090 15.717 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -3.442 -0.566 14.267 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -1.881 -0.138 13.594 1.00 0.00 H new ATOM 0 HG LEU B 34 -2.250 -1.763 16.130 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -1.622 -3.702 14.742 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -3.141 -2.960 14.185 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -1.628 -2.664 13.296 1.00 0.00 H new ATOM 0 HD21 LEU B 34 0.128 -2.319 15.795 1.00 0.00 H new ATOM 0 HD22 LEU B 34 0.178 -1.239 14.381 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -0.114 -0.568 16.004 1.00 0.00 H new ATOM 1510 N THR B 35 -2.080 2.557 13.661 1.00 0.00 N ATOM 1511 CA THR B 35 -2.552 3.518 12.683 1.00 0.00 C ATOM 1512 C THR B 35 -2.449 2.903 11.302 1.00 0.00 C ATOM 1513 O THR B 35 -1.721 1.928 11.115 1.00 0.00 O ATOM 1514 CB THR B 35 -1.755 4.840 12.717 1.00 0.00 C ATOM 1515 OG1 THR B 35 -0.405 4.611 12.295 1.00 0.00 O ATOM 1516 CG2 THR B 35 -1.757 5.446 14.114 1.00 0.00 C ATOM 0 H THR B 35 -1.103 2.284 13.553 1.00 0.00 H new ATOM 0 HA THR B 35 -3.586 3.760 12.927 1.00 0.00 H new ATOM 0 HB THR B 35 -2.237 5.541 12.035 1.00 0.00 H new ATOM 0 HG1 THR B 35 0.147 4.384 13.073 1.00 0.00 H new ATOM 0 HG21 THR B 35 -1.188 6.376 14.108 1.00 0.00 H new ATOM 0 HG22 THR B 35 -2.783 5.650 14.421 1.00 0.00 H new ATOM 0 HG23 THR B 35 -1.301 4.746 14.815 1.00 0.00 H new ATOM 1524 N LEU B 36 -3.174 3.446 10.343 1.00 0.00 N ATOM 1525 CA LEU B 36 -3.087 2.965 8.971 1.00 0.00 C ATOM 1526 C LEU B 36 -1.654 3.101 8.458 1.00 0.00 C ATOM 1527 O LEU B 36 -1.193 2.307 7.641 1.00 0.00 O ATOM 1528 CB LEU B 36 -4.073 3.719 8.067 1.00 0.00 C ATOM 1529 CG LEU B 36 -3.730 5.177 7.725 1.00 0.00 C ATOM 1530 CD1 LEU B 36 -4.702 5.703 6.683 1.00 0.00 C ATOM 1531 CD2 LEU B 36 -3.766 6.068 8.960 1.00 0.00 C ATOM 0 H LEU B 36 -3.827 4.216 10.484 1.00 0.00 H new ATOM 0 HA LEU B 36 -3.360 1.910 8.951 1.00 0.00 H new ATOM 0 HB2 LEU B 36 -4.168 3.165 7.133 1.00 0.00 H new ATOM 0 HB3 LEU B 36 -5.052 3.705 8.547 1.00 0.00 H new ATOM 0 HG LEU B 36 -2.715 5.197 7.328 1.00 0.00 H new ATOM 0 HD11 LEU B 36 -4.455 6.737 6.444 1.00 0.00 H new ATOM 0 HD12 LEU B 36 -4.632 5.095 5.781 1.00 0.00 H new ATOM 0 HD13 LEU B 36 -5.718 5.654 7.076 1.00 0.00 H new ATOM 0 HD21 LEU B 36 -3.518 7.091 8.678 1.00 0.00 H new ATOM 0 HD22 LEU B 36 -4.764 6.044 9.397 1.00 0.00 H new ATOM 0 HD23 LEU B 36 -3.041 5.707 9.690 1.00 0.00 H new ATOM 1543 N SER B 37 -0.962 4.112 8.968 1.00 0.00 N ATOM 1544 CA SER B 37 0.454 4.299 8.703 1.00 0.00 C ATOM 1545 C SER B 37 1.248 3.092 9.216 1.00 0.00 C ATOM 1546 O SER B 37 2.039 2.485 8.478 1.00 0.00 O ATOM 1547 CB SER B 37 0.928 5.587 9.384 1.00 0.00 C ATOM 1548 OG SER B 37 2.189 6.003 8.898 1.00 0.00 O ATOM 0 H SER B 37 -1.368 4.823 9.576 1.00 0.00 H new ATOM 0 HA SER B 37 0.619 4.383 7.629 1.00 0.00 H new ATOM 0 HB2 SER B 37 0.196 6.377 9.218 1.00 0.00 H new ATOM 0 HB3 SER B 37 0.987 5.429 10.461 1.00 0.00 H new ATOM 0 HG SER B 37 2.079 6.806 8.348 1.00 0.00 H new ATOM 1554 N ASP B 38 0.996 2.728 10.477 1.00 0.00 N ATOM 1555 CA ASP B 38 1.674 1.598 11.113 1.00 0.00 C ATOM 1556 C ASP B 38 1.371 0.306 10.379 1.00 0.00 C ATOM 1557 O ASP B 38 2.259 -0.507 10.161 1.00 0.00 O ATOM 1558 CB ASP B 38 1.252 1.437 12.579 1.00 0.00 C ATOM 1559 CG ASP B 38 1.833 2.493 13.495 1.00 0.00 C ATOM 1560 OD1 ASP B 38 3.045 2.436 13.779 1.00 0.00 O ATOM 1561 OD2 ASP B 38 1.069 3.367 13.958 1.00 0.00 O ATOM 0 H ASP B 38 0.324 3.203 11.079 1.00 0.00 H new ATOM 0 HA ASP B 38 2.743 1.808 11.071 1.00 0.00 H new ATOM 0 HB2 ASP B 38 0.164 1.472 12.641 1.00 0.00 H new ATOM 0 HB3 ASP B 38 1.560 0.453 12.931 1.00 0.00 H new ATOM 1566 N VAL B 39 0.117 0.130 9.988 1.00 0.00 N ATOM 1567 CA VAL B 39 -0.309 -1.089 9.315 1.00 0.00 C ATOM 1568 C VAL B 39 0.424 -1.258 7.990 1.00 0.00 C ATOM 1569 O VAL B 39 0.824 -2.363 7.643 1.00 0.00 O ATOM 1570 CB VAL B 39 -1.840 -1.106 9.074 1.00 0.00 C ATOM 1571 CG1 VAL B 39 -2.261 -2.378 8.353 1.00 0.00 C ATOM 1572 CG2 VAL B 39 -2.594 -0.973 10.388 1.00 0.00 C ATOM 0 H VAL B 39 -0.624 0.817 10.125 1.00 0.00 H new ATOM 0 HA VAL B 39 -0.059 -1.923 9.971 1.00 0.00 H new ATOM 0 HB VAL B 39 -2.089 -0.253 8.443 1.00 0.00 H new ATOM 0 HG11 VAL B 39 -3.339 -2.367 8.195 1.00 0.00 H new ATOM 0 HG12 VAL B 39 -1.754 -2.435 7.390 1.00 0.00 H new ATOM 0 HG13 VAL B 39 -1.992 -3.245 8.957 1.00 0.00 H new ATOM 0 HG21 VAL B 39 -3.667 -0.987 10.195 1.00 0.00 H new ATOM 0 HG22 VAL B 39 -2.332 -1.804 11.043 1.00 0.00 H new ATOM 0 HG23 VAL B 39 -2.324 -0.033 10.869 1.00 0.00 H new ATOM 1582 N CYS B 40 0.638 -0.160 7.274 1.00 0.00 N ATOM 1583 CA CYS B 40 1.315 -0.217 5.983 1.00 0.00 C ATOM 1584 C CYS B 40 2.762 -0.716 6.136 1.00 0.00 C ATOM 1585 O CYS B 40 3.121 -1.772 5.611 1.00 0.00 O ATOM 1586 CB CYS B 40 1.250 1.159 5.293 1.00 0.00 C ATOM 1587 SG CYS B 40 -0.412 1.644 4.773 1.00 0.00 S ATOM 0 H CYS B 40 0.354 0.776 7.563 1.00 0.00 H new ATOM 0 HA CYS B 40 0.800 -0.937 5.347 1.00 0.00 H new ATOM 0 HB2 CYS B 40 1.641 1.914 5.975 1.00 0.00 H new ATOM 0 HB3 CYS B 40 1.904 1.148 4.421 1.00 0.00 H new ATOM 0 HG CYS B 40 -1.093 2.038 5.808 1.00 0.00 H new ATOM 1593 N ARG B 41 3.589 0.042 6.843 1.00 0.00 N ATOM 1594 CA ARG B 41 4.958 -0.368 7.146 1.00 0.00 C ATOM 1595 C ARG B 41 5.038 -1.744 7.839 1.00 0.00 C ATOM 1596 O ARG B 41 5.880 -2.569 7.478 1.00 0.00 O ATOM 1597 CB ARG B 41 5.649 0.720 7.989 1.00 0.00 C ATOM 1598 CG ARG B 41 4.859 1.185 9.205 1.00 0.00 C ATOM 1599 CD ARG B 41 5.220 0.405 10.461 1.00 0.00 C ATOM 1600 NE ARG B 41 6.589 0.678 10.895 1.00 0.00 N ATOM 1601 CZ ARG B 41 7.099 0.278 12.058 1.00 0.00 C ATOM 1602 NH1 ARG B 41 6.342 -0.374 12.929 1.00 0.00 N ATOM 1603 NH2 ARG B 41 8.362 0.557 12.359 1.00 0.00 N ATOM 0 H ARG B 41 3.334 0.954 7.222 1.00 0.00 H new ATOM 0 HA ARG B 41 5.483 -0.482 6.198 1.00 0.00 H new ATOM 0 HB2 ARG B 41 6.615 0.341 8.324 1.00 0.00 H new ATOM 0 HB3 ARG B 41 5.848 1.582 7.352 1.00 0.00 H new ATOM 0 HG2 ARG B 41 5.045 2.246 9.373 1.00 0.00 H new ATOM 0 HG3 ARG B 41 3.793 1.076 9.006 1.00 0.00 H new ATOM 0 HD2 ARG B 41 4.527 0.664 11.261 1.00 0.00 H new ATOM 0 HD3 ARG B 41 5.105 -0.662 10.272 1.00 0.00 H new ATOM 0 HE ARG B 41 7.192 1.209 10.267 1.00 0.00 H new ATOM 0 HH11 ARG B 41 5.366 -0.571 12.709 1.00 0.00 H new ATOM 0 HH12 ARG B 41 6.736 -0.679 13.819 1.00 0.00 H new ATOM 0 HH21 ARG B 41 8.940 1.077 11.699 1.00 0.00 H new ATOM 0 HH22 ARG B 41 8.754 0.251 13.250 1.00 0.00 H new ATOM 1617 N LEU B 42 4.158 -2.017 8.797 1.00 0.00 N ATOM 1618 CA LEU B 42 4.199 -3.300 9.506 1.00 0.00 C ATOM 1619 C LEU B 42 3.887 -4.439 8.553 1.00 0.00 C ATOM 1620 O LEU B 42 4.462 -5.526 8.649 1.00 0.00 O ATOM 1621 CB LEU B 42 3.212 -3.333 10.678 1.00 0.00 C ATOM 1622 CG LEU B 42 3.656 -2.578 11.928 1.00 0.00 C ATOM 1623 CD1 LEU B 42 2.540 -2.564 12.961 1.00 0.00 C ATOM 1624 CD2 LEU B 42 4.910 -3.212 12.508 1.00 0.00 C ATOM 0 H LEU B 42 3.419 -1.383 9.100 1.00 0.00 H new ATOM 0 HA LEU B 42 5.207 -3.418 9.904 1.00 0.00 H new ATOM 0 HB2 LEU B 42 2.261 -2.919 10.342 1.00 0.00 H new ATOM 0 HB3 LEU B 42 3.029 -4.373 10.948 1.00 0.00 H new ATOM 0 HG LEU B 42 3.884 -1.548 11.652 1.00 0.00 H new ATOM 0 HD11 LEU B 42 2.871 -2.022 13.847 1.00 0.00 H new ATOM 0 HD12 LEU B 42 1.662 -2.072 12.542 1.00 0.00 H new ATOM 0 HD13 LEU B 42 2.286 -3.588 13.236 1.00 0.00 H new ATOM 0 HD21 LEU B 42 5.216 -2.664 13.399 1.00 0.00 H new ATOM 0 HD22 LEU B 42 4.704 -4.249 12.773 1.00 0.00 H new ATOM 0 HD23 LEU B 42 5.710 -3.178 11.769 1.00 0.00 H new ATOM 1636 N ALA B 43 2.997 -4.172 7.615 1.00 0.00 N ATOM 1637 CA ALA B 43 2.610 -5.172 6.650 1.00 0.00 C ATOM 1638 C ALA B 43 3.723 -5.421 5.649 1.00 0.00 C ATOM 1639 O ALA B 43 3.760 -6.467 5.024 1.00 0.00 O ATOM 1640 CB ALA B 43 1.338 -4.763 5.936 1.00 0.00 C ATOM 0 H ALA B 43 2.532 -3.271 7.505 1.00 0.00 H new ATOM 0 HA ALA B 43 2.421 -6.101 7.187 1.00 0.00 H new ATOM 0 HB1 ALA B 43 1.064 -5.531 5.213 1.00 0.00 H new ATOM 0 HB2 ALA B 43 0.534 -4.646 6.663 1.00 0.00 H new ATOM 0 HB3 ALA B 43 1.499 -3.818 5.418 1.00 0.00 H new ATOM 1646 N ILE B 44 4.629 -4.458 5.495 1.00 0.00 N ATOM 1647 CA ILE B 44 5.795 -4.649 4.641 1.00 0.00 C ATOM 1648 C ILE B 44 6.741 -5.652 5.281 1.00 0.00 C ATOM 1649 O ILE B 44 7.322 -6.497 4.600 1.00 0.00 O ATOM 1650 CB ILE B 44 6.550 -3.328 4.357 1.00 0.00 C ATOM 1651 CG1 ILE B 44 5.686 -2.405 3.496 1.00 0.00 C ATOM 1652 CG2 ILE B 44 7.886 -3.601 3.673 1.00 0.00 C ATOM 1653 CD1 ILE B 44 6.415 -1.170 3.003 1.00 0.00 C ATOM 0 H ILE B 44 4.578 -3.545 5.947 1.00 0.00 H new ATOM 0 HA ILE B 44 5.434 -5.026 3.684 1.00 0.00 H new ATOM 0 HB ILE B 44 6.753 -2.835 5.308 1.00 0.00 H new ATOM 0 HG12 ILE B 44 5.317 -2.965 2.637 1.00 0.00 H new ATOM 0 HG13 ILE B 44 4.815 -2.095 4.073 1.00 0.00 H new ATOM 0 HG21 ILE B 44 8.398 -2.657 3.484 1.00 0.00 H new ATOM 0 HG22 ILE B 44 8.504 -4.226 4.318 1.00 0.00 H new ATOM 0 HG23 ILE B 44 7.712 -4.115 2.728 1.00 0.00 H new ATOM 0 HD11 ILE B 44 5.738 -0.565 2.400 1.00 0.00 H new ATOM 0 HD12 ILE B 44 6.761 -0.587 3.856 1.00 0.00 H new ATOM 0 HD13 ILE B 44 7.271 -1.470 2.398 1.00 0.00 H new ATOM 1665 N LYS B 45 6.886 -5.559 6.596 1.00 0.00 N ATOM 1666 CA LYS B 45 7.704 -6.509 7.336 1.00 0.00 C ATOM 1667 C LYS B 45 7.167 -7.931 7.150 1.00 0.00 C ATOM 1668 O LYS B 45 7.933 -8.888 7.005 1.00 0.00 O ATOM 1669 CB LYS B 45 7.747 -6.139 8.822 1.00 0.00 C ATOM 1670 CG LYS B 45 8.720 -6.986 9.623 1.00 0.00 C ATOM 1671 CD LYS B 45 8.721 -6.607 11.096 1.00 0.00 C ATOM 1672 CE LYS B 45 9.728 -7.441 11.877 1.00 0.00 C ATOM 1673 NZ LYS B 45 9.444 -8.899 11.772 1.00 0.00 N ATOM 0 H LYS B 45 6.449 -4.838 7.170 1.00 0.00 H new ATOM 0 HA LYS B 45 8.721 -6.469 6.945 1.00 0.00 H new ATOM 0 HB2 LYS B 45 8.023 -5.089 8.920 1.00 0.00 H new ATOM 0 HB3 LYS B 45 6.748 -6.247 9.245 1.00 0.00 H new ATOM 0 HG2 LYS B 45 8.456 -8.038 9.519 1.00 0.00 H new ATOM 0 HG3 LYS B 45 9.724 -6.867 9.217 1.00 0.00 H new ATOM 0 HD2 LYS B 45 8.961 -5.549 11.202 1.00 0.00 H new ATOM 0 HD3 LYS B 45 7.724 -6.751 11.512 1.00 0.00 H new ATOM 0 HE2 LYS B 45 10.732 -7.239 11.505 1.00 0.00 H new ATOM 0 HE3 LYS B 45 9.711 -7.143 12.925 1.00 0.00 H new ATOM 0 HZ1 LYS B 45 10.016 -9.415 12.470 1.00 0.00 H new ATOM 0 HZ2 LYS B 45 8.435 -9.070 11.957 1.00 0.00 H new ATOM 0 HZ3 LYS B 45 9.682 -9.231 10.816 1.00 0.00 H new ATOM 1687 N GLU B 46 5.844 -8.053 7.148 1.00 0.00 N ATOM 1688 CA GLU B 46 5.175 -9.326 6.900 1.00 0.00 C ATOM 1689 C GLU B 46 5.309 -9.692 5.422 1.00 0.00 C ATOM 1690 O GLU B 46 5.478 -10.854 5.057 1.00 0.00 O ATOM 1691 CB GLU B 46 3.695 -9.200 7.281 1.00 0.00 C ATOM 1692 CG GLU B 46 2.891 -10.489 7.157 1.00 0.00 C ATOM 1693 CD GLU B 46 3.125 -11.454 8.303 1.00 0.00 C ATOM 1694 OE1 GLU B 46 2.686 -11.157 9.434 1.00 0.00 O ATOM 1695 OE2 GLU B 46 3.723 -12.525 8.076 1.00 0.00 O ATOM 0 H GLU B 46 5.206 -7.275 7.318 1.00 0.00 H new ATOM 0 HA GLU B 46 5.635 -10.110 7.502 1.00 0.00 H new ATOM 0 HB2 GLU B 46 3.628 -8.844 8.309 1.00 0.00 H new ATOM 0 HB3 GLU B 46 3.235 -8.439 6.650 1.00 0.00 H new ATOM 0 HG2 GLU B 46 1.830 -10.244 7.108 1.00 0.00 H new ATOM 0 HG3 GLU B 46 3.148 -10.981 6.219 1.00 0.00 H new ATOM 1702 N TYR B 47 5.260 -8.667 4.587 1.00 0.00 N ATOM 1703 CA TYR B 47 5.315 -8.820 3.143 1.00 0.00 C ATOM 1704 C TYR B 47 6.642 -9.449 2.743 1.00 0.00 C ATOM 1705 O TYR B 47 6.688 -10.372 1.932 1.00 0.00 O ATOM 1706 CB TYR B 47 5.156 -7.441 2.491 1.00 0.00 C ATOM 1707 CG TYR B 47 4.757 -7.453 1.034 1.00 0.00 C ATOM 1708 CD1 TYR B 47 3.472 -7.813 0.650 1.00 0.00 C ATOM 1709 CD2 TYR B 47 5.653 -7.068 0.046 1.00 0.00 C ATOM 1710 CE1 TYR B 47 3.092 -7.795 -0.678 1.00 0.00 C ATOM 1711 CE2 TYR B 47 5.282 -7.051 -1.285 1.00 0.00 C ATOM 1712 CZ TYR B 47 4.000 -7.414 -1.641 1.00 0.00 C ATOM 1713 OH TYR B 47 3.631 -7.398 -2.965 1.00 0.00 O ATOM 0 H TYR B 47 5.180 -7.698 4.895 1.00 0.00 H new ATOM 0 HA TYR B 47 4.509 -9.472 2.806 1.00 0.00 H new ATOM 0 HB2 TYR B 47 4.408 -6.878 3.050 1.00 0.00 H new ATOM 0 HB3 TYR B 47 6.098 -6.902 2.587 1.00 0.00 H new ATOM 0 HD1 TYR B 47 2.757 -8.112 1.402 1.00 0.00 H new ATOM 0 HD2 TYR B 47 6.656 -6.777 0.322 1.00 0.00 H new ATOM 0 HE1 TYR B 47 2.089 -8.078 -0.960 1.00 0.00 H new ATOM 0 HE2 TYR B 47 5.992 -6.755 -2.043 1.00 0.00 H new ATOM 0 HH TYR B 47 4.389 -7.104 -3.512 1.00 0.00 H new ATOM 1723 N LEU B 48 7.717 -8.951 3.337 1.00 0.00 N ATOM 1724 CA LEU B 48 9.049 -9.489 3.095 1.00 0.00 C ATOM 1725 C LEU B 48 9.162 -10.902 3.646 1.00 0.00 C ATOM 1726 O LEU B 48 9.690 -11.796 2.989 1.00 0.00 O ATOM 1727 CB LEU B 48 10.111 -8.600 3.753 1.00 0.00 C ATOM 1728 CG LEU B 48 10.086 -7.124 3.342 1.00 0.00 C ATOM 1729 CD1 LEU B 48 11.177 -6.352 4.065 1.00 0.00 C ATOM 1730 CD2 LEU B 48 10.245 -6.983 1.835 1.00 0.00 C ATOM 0 H LEU B 48 7.693 -8.171 3.994 1.00 0.00 H new ATOM 0 HA LEU B 48 9.215 -9.511 2.018 1.00 0.00 H new ATOM 0 HB2 LEU B 48 9.990 -8.660 4.835 1.00 0.00 H new ATOM 0 HB3 LEU B 48 11.095 -9.007 3.520 1.00 0.00 H new ATOM 0 HG LEU B 48 9.120 -6.706 3.626 1.00 0.00 H new ATOM 0 HD11 LEU B 48 11.145 -5.306 3.761 1.00 0.00 H new ATOM 0 HD12 LEU B 48 11.020 -6.422 5.141 1.00 0.00 H new ATOM 0 HD13 LEU B 48 12.150 -6.773 3.812 1.00 0.00 H new ATOM 0 HD21 LEU B 48 10.225 -5.927 1.564 1.00 0.00 H new ATOM 0 HD22 LEU B 48 11.196 -7.418 1.527 1.00 0.00 H new ATOM 0 HD23 LEU B 48 9.429 -7.502 1.333 1.00 0.00 H new ATOM 1742 N ASP B 49 8.624 -11.091 4.846 1.00 0.00 N ATOM 1743 CA ASP B 49 8.752 -12.346 5.582 1.00 0.00 C ATOM 1744 C ASP B 49 8.187 -13.531 4.803 1.00 0.00 C ATOM 1745 O ASP B 49 8.814 -14.586 4.724 1.00 0.00 O ATOM 1746 CB ASP B 49 8.034 -12.221 6.927 1.00 0.00 C ATOM 1747 CG ASP B 49 8.278 -13.405 7.843 1.00 0.00 C ATOM 1748 OD1 ASP B 49 7.524 -14.397 7.760 1.00 0.00 O ATOM 1749 OD2 ASP B 49 9.215 -13.337 8.665 1.00 0.00 O ATOM 0 H ASP B 49 8.086 -10.378 5.338 1.00 0.00 H new ATOM 0 HA ASP B 49 9.814 -12.535 5.737 1.00 0.00 H new ATOM 0 HB2 ASP B 49 8.364 -11.309 7.425 1.00 0.00 H new ATOM 0 HB3 ASP B 49 6.963 -12.119 6.752 1.00 0.00 H new ATOM 1754 N ASN B 50 7.010 -13.351 4.219 1.00 0.00 N ATOM 1755 CA ASN B 50 6.342 -14.438 3.504 1.00 0.00 C ATOM 1756 C ASN B 50 6.883 -14.602 2.088 1.00 0.00 C ATOM 1757 O ASN B 50 6.614 -15.603 1.426 1.00 0.00 O ATOM 1758 CB ASN B 50 4.829 -14.209 3.458 1.00 0.00 C ATOM 1759 CG ASN B 50 4.204 -14.228 4.840 1.00 0.00 C ATOM 1760 OD1 ASN B 50 3.833 -15.283 5.357 1.00 0.00 O ATOM 1761 ND2 ASN B 50 4.080 -13.064 5.448 1.00 0.00 N ATOM 0 H ASN B 50 6.498 -12.469 4.224 1.00 0.00 H new ATOM 0 HA ASN B 50 6.549 -15.356 4.054 1.00 0.00 H new ATOM 0 HB2 ASN B 50 4.623 -13.251 2.981 1.00 0.00 H new ATOM 0 HB3 ASN B 50 4.365 -14.979 2.841 1.00 0.00 H new ATOM 0 HD21 ASN B 50 3.665 -13.016 6.379 1.00 0.00 H new ATOM 0 HD22 ASN B 50 4.399 -12.212 4.988 1.00 0.00 H new ATOM 1768 N HIS B 51 7.643 -13.623 1.621 1.00 0.00 N ATOM 1769 CA HIS B 51 8.199 -13.682 0.274 1.00 0.00 C ATOM 1770 C HIS B 51 9.613 -14.243 0.300 1.00 0.00 C ATOM 1771 O HIS B 51 9.870 -15.315 -0.241 1.00 0.00 O ATOM 1772 CB HIS B 51 8.179 -12.304 -0.388 1.00 0.00 C ATOM 1773 CG HIS B 51 6.798 -11.827 -0.720 1.00 0.00 C ATOM 1774 ND1 HIS B 51 5.587 -12.380 -0.473 1.00 0.00 N flip ATOM 1775 CD2 HIS B 51 6.548 -10.643 -1.370 1.00 0.00 C flip ATOM 1776 CE1 HIS B 51 4.635 -11.527 -0.971 1.00 0.00 C flip ATOM 1777 NE2 HIS B 51 5.244 -10.490 -1.508 1.00 0.00 N flip ATOM 0 H HIS B 51 7.888 -12.785 2.148 1.00 0.00 H new ATOM 0 HA HIS B 51 7.575 -14.351 -0.318 1.00 0.00 H new ATOM 0 HB2 HIS B 51 8.655 -11.583 0.276 1.00 0.00 H new ATOM 0 HB3 HIS B 51 8.774 -12.338 -1.301 1.00 0.00 H new ATOM 0 HD2 HIS B 51 7.299 -9.947 -1.714 1.00 0.00 H new ATOM 0 HE1 HIS B 51 3.567 -11.680 -0.930 1.00 0.00 H new ATOM 0 HE2 HIS B 51 4.784 -9.698 -1.957 1.00 0.00 H new ATOM 1786 N ASP B 52 10.525 -13.528 0.935 1.00 0.00 N ATOM 1787 CA ASP B 52 11.887 -14.008 1.088 1.00 0.00 C ATOM 1788 C ASP B 52 12.416 -13.613 2.462 1.00 0.00 C ATOM 1789 O ASP B 52 12.477 -12.435 2.818 1.00 0.00 O ATOM 1790 CB ASP B 52 12.795 -13.500 -0.045 1.00 0.00 C ATOM 1791 CG ASP B 52 13.107 -12.020 0.032 1.00 0.00 C ATOM 1792 OD1 ASP B 52 12.214 -11.196 -0.250 1.00 0.00 O ATOM 1793 OD2 ASP B 52 14.261 -11.672 0.354 1.00 0.00 O ATOM 0 H ASP B 52 10.348 -12.614 1.352 1.00 0.00 H new ATOM 0 HA ASP B 52 11.888 -15.096 1.018 1.00 0.00 H new ATOM 0 HB2 ASP B 52 13.730 -14.059 -0.026 1.00 0.00 H new ATOM 0 HB3 ASP B 52 12.317 -13.711 -1.002 1.00 0.00 H new ATOM 1798 N LYS B 53 12.777 -14.619 3.238 1.00 0.00 N ATOM 1799 CA LYS B 53 13.134 -14.432 4.635 1.00 0.00 C ATOM 1800 C LYS B 53 14.550 -13.898 4.778 1.00 0.00 C ATOM 1801 O LYS B 53 14.927 -13.387 5.833 1.00 0.00 O ATOM 1802 CB LYS B 53 12.994 -15.759 5.383 1.00 0.00 C ATOM 1803 CG LYS B 53 11.574 -16.303 5.382 1.00 0.00 C ATOM 1804 CD LYS B 53 11.510 -17.711 5.952 1.00 0.00 C ATOM 1805 CE LYS B 53 12.127 -18.732 5.008 1.00 0.00 C ATOM 1806 NZ LYS B 53 11.380 -18.831 3.726 1.00 0.00 N ATOM 0 H LYS B 53 12.831 -15.587 2.920 1.00 0.00 H new ATOM 0 HA LYS B 53 12.455 -13.696 5.066 1.00 0.00 H new ATOM 0 HB2 LYS B 53 13.658 -16.495 4.930 1.00 0.00 H new ATOM 0 HB3 LYS B 53 13.323 -15.624 6.413 1.00 0.00 H new ATOM 0 HG2 LYS B 53 10.932 -15.644 5.967 1.00 0.00 H new ATOM 0 HG3 LYS B 53 11.186 -16.305 4.363 1.00 0.00 H new ATOM 0 HD2 LYS B 53 12.031 -17.740 6.909 1.00 0.00 H new ATOM 0 HD3 LYS B 53 10.471 -17.977 6.147 1.00 0.00 H new ATOM 0 HE2 LYS B 53 13.162 -18.457 4.804 1.00 0.00 H new ATOM 0 HE3 LYS B 53 12.146 -19.708 5.493 1.00 0.00 H new ATOM 0 HZ1 LYS B 53 11.628 -19.720 3.248 1.00 0.00 H new ATOM 0 HZ2 LYS B 53 10.358 -18.814 3.918 1.00 0.00 H new ATOM 0 HZ3 LYS B 53 11.631 -18.028 3.115 1.00 0.00 H new ATOM 1820 N GLN B 54 15.327 -14.004 3.713 1.00 0.00 N ATOM 1821 CA GLN B 54 16.706 -13.556 3.744 1.00 0.00 C ATOM 1822 C GLN B 54 17.173 -13.088 2.374 1.00 0.00 C ATOM 1823 O GLN B 54 16.871 -13.705 1.348 1.00 0.00 O ATOM 1824 CB GLN B 54 17.620 -14.666 4.267 1.00 0.00 C ATOM 1825 CG GLN B 54 17.506 -15.976 3.508 1.00 0.00 C ATOM 1826 CD GLN B 54 18.454 -17.035 4.034 1.00 0.00 C ATOM 1827 OE1 GLN B 54 19.605 -16.609 4.535 1.00 0.00 O flip ATOM 1828 NE2 GLN B 54 18.153 -18.229 3.986 1.00 0.00 N flip ATOM 0 H GLN B 54 15.026 -14.395 2.820 1.00 0.00 H new ATOM 0 HA GLN B 54 16.760 -12.705 4.423 1.00 0.00 H new ATOM 0 HB2 GLN B 54 18.653 -14.322 4.222 1.00 0.00 H new ATOM 0 HB3 GLN B 54 17.390 -14.846 5.317 1.00 0.00 H new ATOM 0 HG2 GLN B 54 16.482 -16.344 3.576 1.00 0.00 H new ATOM 0 HG3 GLN B 54 17.713 -15.800 2.452 1.00 0.00 H new ATOM 0 HE21 GLN B 54 17.256 -18.513 3.592 1.00 0.00 H new ATOM 0 HE22 GLN B 54 18.801 -18.933 4.340 1.00 0.00 H new ATOM 1837 N LYS B 55 17.906 -11.988 2.370 1.00 0.00 N ATOM 1838 CA LYS B 55 18.483 -11.447 1.153 1.00 0.00 C ATOM 1839 C LYS B 55 19.997 -11.587 1.192 1.00 0.00 C ATOM 1840 O LYS B 55 20.677 -10.826 1.881 1.00 0.00 O ATOM 1841 CB LYS B 55 18.081 -9.977 0.976 1.00 0.00 C ATOM 1842 CG LYS B 55 16.627 -9.795 0.576 1.00 0.00 C ATOM 1843 CD LYS B 55 16.205 -8.336 0.583 1.00 0.00 C ATOM 1844 CE LYS B 55 14.807 -8.165 0.004 1.00 0.00 C ATOM 1845 NZ LYS B 55 13.810 -9.065 0.647 1.00 0.00 N ATOM 0 H LYS B 55 18.117 -11.446 3.208 1.00 0.00 H new ATOM 0 HA LYS B 55 18.101 -12.009 0.301 1.00 0.00 H new ATOM 0 HB2 LYS B 55 18.263 -9.443 1.909 1.00 0.00 H new ATOM 0 HB3 LYS B 55 18.719 -9.522 0.218 1.00 0.00 H new ATOM 0 HG2 LYS B 55 16.472 -10.211 -0.419 1.00 0.00 H new ATOM 0 HG3 LYS B 55 15.991 -10.358 1.259 1.00 0.00 H new ATOM 0 HD2 LYS B 55 16.228 -7.953 1.603 1.00 0.00 H new ATOM 0 HD3 LYS B 55 16.916 -7.746 0.004 1.00 0.00 H new ATOM 0 HE2 LYS B 55 14.490 -7.129 0.128 1.00 0.00 H new ATOM 0 HE3 LYS B 55 14.834 -8.364 -1.067 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 12.943 -9.088 0.074 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 14.204 -10.025 0.718 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 13.586 -8.711 1.599 1.00 0.00 H new ATOM 1859 N LYS B 56 20.500 -12.582 0.463 1.00 0.00 N ATOM 1860 CA LYS B 56 21.930 -12.888 0.419 1.00 0.00 C ATOM 1861 C LYS B 56 22.445 -13.282 1.798 1.00 0.00 C ATOM 1862 O LYS B 56 23.221 -12.507 2.397 1.00 0.00 O ATOM 1863 CB LYS B 56 22.728 -11.702 -0.133 1.00 0.00 C ATOM 1864 CG LYS B 56 22.475 -11.432 -1.608 1.00 0.00 C ATOM 1865 CD LYS B 56 23.278 -10.238 -2.104 1.00 0.00 C ATOM 1866 CE LYS B 56 24.770 -10.418 -1.858 1.00 0.00 C ATOM 1867 NZ LYS B 56 25.317 -11.618 -2.544 1.00 0.00 N ATOM 1868 OXT LYS B 56 22.050 -14.362 2.285 1.00 0.00 O ATOM 0 H LYS B 56 19.928 -13.199 -0.114 1.00 0.00 H new ATOM 0 HA LYS B 56 22.069 -13.735 -0.253 1.00 0.00 H new ATOM 0 HB2 LYS B 56 22.478 -10.809 0.439 1.00 0.00 H new ATOM 0 HB3 LYS B 56 23.791 -11.889 0.016 1.00 0.00 H new ATOM 0 HG2 LYS B 56 22.737 -12.315 -2.191 1.00 0.00 H new ATOM 0 HG3 LYS B 56 21.413 -11.249 -1.768 1.00 0.00 H new ATOM 0 HD2 LYS B 56 23.100 -10.098 -3.170 1.00 0.00 H new ATOM 0 HD3 LYS B 56 22.933 -9.334 -1.602 1.00 0.00 H new ATOM 0 HE2 LYS B 56 25.302 -9.531 -2.203 1.00 0.00 H new ATOM 0 HE3 LYS B 56 24.951 -10.501 -0.786 1.00 0.00 H new ATOM 0 HZ1 LYS B 56 26.351 -11.641 -2.431 1.00 0.00 H new ATOM 0 HZ2 LYS B 56 24.903 -12.476 -2.126 1.00 0.00 H new ATOM 0 HZ3 LYS B 56 25.080 -11.578 -3.556 1.00 0.00 H new TER 1882 LYS B 56