USER MOD reduce.3.24.130724 H: found=0, std=0, add=978, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 980 hydrogens (31 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 NoAdj-H: A 46 HIS HE2 : A 46 HIS NE2 : A 125 HEBFE :(H bumps) USER MOD NoAdj-H: A 70 HIS HE2 : A 70 HIS NE2 : A 125 HEBFE :(H bumps) USER MOD NoAdj-H: A 117 HIS HE2 : A 117 HIS NE2 : A 125 HEB CAB :(H bumps) USER MOD NoAdj-H: A 125 HEBHAB2 : A 125 HEB CAB : A 117 HIS NE2 :(H bumps) USER MOD NoAdj-H: A 125 HEB H2D : A 125 HEB O2D : A 125 HEB CGD :(short bond) USER MOD NoAdj-H: A 125 HEB H2A : A 125 HEB O2A : A 125 HEB CGA :(short bond) USER MOD Set 1.1: A 80 THR OG1 : rot -19:sc= -2.4! USER MOD Set 1.2: A 83 HIS : no HD1:sc= -0.115 K(o=-2.5,f=-12!) USER MOD Set 2.1: A 37 ASN :FLIP amide:sc= -0.813! F(o=-1.9,f=0.053!) USER MOD Set 2.2: A 76 ASN : amide:sc= 0.866 K(o=0.053,f=-1.9!) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0534) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 175:sc= -6.61! (180deg=-7.17!) USER MOD Single : A 32 ASN : amide:sc= -1.31 K(o=-1.3,f=-2.1!) USER MOD Single : A 38 THR OG1 : rot -170:sc= 0 USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN :FLIP amide:sc= 0 F(o=-1.8!,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 GLN : amide:sc= -9.76! C(o=-9.8!,f=-16!) USER MOD Single : A 48 LYS NZ :NH3+ -166:sc= -0.0642 (180deg=-0.509) USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 92:sc= 1.18 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 MET CE :methyl 180:sc= -0.0551 (180deg=-0.0551) USER MOD Single : A 71 GLN : amide:sc= 0 K(o=0,f=-2.5!) USER MOD Single : A 90 ASN : amide:sc= -0.335 K(o=-0.34,f=-1.7!) USER MOD Single : A 94 THR OG1 : rot 73:sc= 0.543 USER MOD Single : A 96 GLN : amide:sc= -16.6! C(o=-17!,f=-19!) USER MOD Single : A 99 ASN : amide:sc= -0.0502 X(o=-0.05,f=-0.078) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= -0.157 X(o=-0.16,f=-0.17) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 72:sc= 1.26 USER MOD Single : A 116 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 119 ASN : amide:sc=-0.00225 K(o=-0.0023,f=-1.6!) USER MOD Single : A 123 ASN : amide:sc= -3.88! C(o=-3.9!,f=-4!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -13.785 6.341 5.177 1.00 0.00 N ATOM 2 CA ALA A 2 -14.251 5.522 4.022 1.00 0.00 C ATOM 3 C ALA A 2 -13.337 4.312 3.860 1.00 0.00 C ATOM 4 O ALA A 2 -12.114 4.432 3.921 1.00 0.00 O ATOM 5 CB ALA A 2 -14.221 6.373 2.752 1.00 0.00 C ATOM 0 HA ALA A 2 -15.271 5.180 4.199 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -14.561 5.776 1.906 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -14.877 7.234 2.876 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -13.203 6.716 2.568 1.00 0.00 H new ATOM 13 N SER A 3 -13.940 3.145 3.652 1.00 0.00 N ATOM 14 CA SER A 3 -13.171 1.918 3.482 1.00 0.00 C ATOM 15 C SER A 3 -13.564 1.214 2.187 1.00 0.00 C ATOM 16 O SER A 3 -14.660 1.422 1.665 1.00 0.00 O ATOM 17 CB SER A 3 -13.412 0.982 4.667 1.00 0.00 C ATOM 18 OG SER A 3 -14.769 0.561 4.664 1.00 0.00 O ATOM 0 H SER A 3 -14.951 3.024 3.598 1.00 0.00 H new ATOM 0 HA SER A 3 -12.114 2.178 3.434 1.00 0.00 H new ATOM 0 HB2 SER A 3 -12.751 0.118 4.603 1.00 0.00 H new ATOM 0 HB3 SER A 3 -13.180 1.492 5.602 1.00 0.00 H new ATOM 0 HG SER A 3 -14.927 -0.041 5.421 1.00 0.00 H new ATOM 24 N LEU A 4 -12.664 0.382 1.674 1.00 0.00 N ATOM 25 CA LEU A 4 -12.928 -0.348 0.439 1.00 0.00 C ATOM 26 C LEU A 4 -14.207 -1.168 0.567 1.00 0.00 C ATOM 27 O LEU A 4 -14.975 -1.292 -0.388 1.00 0.00 O ATOM 28 CB LEU A 4 -11.751 -1.274 0.122 1.00 0.00 C ATOM 29 CG LEU A 4 -11.970 -1.936 -1.242 1.00 0.00 C ATOM 30 CD1 LEU A 4 -11.877 -0.884 -2.352 1.00 0.00 C ATOM 31 CD2 LEU A 4 -10.897 -3.002 -1.466 1.00 0.00 C ATOM 0 H LEU A 4 -11.751 0.197 2.090 1.00 0.00 H new ATOM 0 HA LEU A 4 -13.052 0.371 -0.371 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -10.820 -0.707 0.117 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -11.656 -2.036 0.896 1.00 0.00 H new ATOM 0 HG LEU A 4 -12.958 -2.396 -1.263 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -12.034 -1.361 -3.319 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -12.640 -0.122 -2.196 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -10.891 -0.420 -2.332 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -11.051 -3.475 -2.436 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -9.911 -2.537 -1.441 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -10.963 -3.755 -0.681 1.00 0.00 H new ATOM 43 N TYR A 5 -14.430 -1.725 1.752 1.00 0.00 N ATOM 44 CA TYR A 5 -15.621 -2.533 1.995 1.00 0.00 C ATOM 45 C TYR A 5 -16.888 -1.730 1.722 1.00 0.00 C ATOM 46 O TYR A 5 -17.830 -2.232 1.109 1.00 0.00 O ATOM 47 CB TYR A 5 -15.626 -3.020 3.446 1.00 0.00 C ATOM 48 CG TYR A 5 -17.042 -3.321 3.877 1.00 0.00 C ATOM 49 CD1 TYR A 5 -17.913 -3.998 3.015 1.00 0.00 C ATOM 50 CD2 TYR A 5 -17.486 -2.916 5.142 1.00 0.00 C ATOM 51 CE1 TYR A 5 -19.226 -4.270 3.417 1.00 0.00 C ATOM 52 CE2 TYR A 5 -18.798 -3.187 5.544 1.00 0.00 C ATOM 53 CZ TYR A 5 -19.669 -3.863 4.682 1.00 0.00 C ATOM 54 OH TYR A 5 -20.964 -4.130 5.079 1.00 0.00 O ATOM 0 H TYR A 5 -13.807 -1.634 2.555 1.00 0.00 H new ATOM 0 HA TYR A 5 -15.600 -3.388 1.319 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -15.009 -3.913 3.542 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -15.191 -2.261 4.096 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -17.572 -4.311 2.039 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -16.815 -2.394 5.808 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -19.897 -4.793 2.752 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -19.139 -2.874 6.520 1.00 0.00 H new ATOM 0 HH TYR A 5 -21.107 -3.781 5.984 1.00 0.00 H new ATOM 64 N GLU A 6 -16.909 -0.484 2.180 1.00 0.00 N ATOM 65 CA GLU A 6 -18.073 0.369 1.976 1.00 0.00 C ATOM 66 C GLU A 6 -18.321 0.604 0.488 1.00 0.00 C ATOM 67 O GLU A 6 -19.466 0.632 0.038 1.00 0.00 O ATOM 68 CB GLU A 6 -17.864 1.713 2.677 1.00 0.00 C ATOM 69 CG GLU A 6 -19.142 2.546 2.575 1.00 0.00 C ATOM 70 CD GLU A 6 -18.914 3.926 3.180 1.00 0.00 C ATOM 71 OE1 GLU A 6 -17.806 4.183 3.620 1.00 0.00 O ATOM 72 OE2 GLU A 6 -19.852 4.707 3.195 1.00 0.00 O ATOM 0 H GLU A 6 -16.142 -0.045 2.690 1.00 0.00 H new ATOM 0 HA GLU A 6 -18.942 -0.134 2.400 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -17.604 1.553 3.723 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -17.031 2.248 2.220 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -19.441 2.642 1.531 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -19.957 2.042 3.095 1.00 0.00 H new ATOM 79 N LYS A 7 -17.242 0.776 -0.269 1.00 0.00 N ATOM 80 CA LYS A 7 -17.359 1.014 -1.704 1.00 0.00 C ATOM 81 C LYS A 7 -17.991 -0.184 -2.409 1.00 0.00 C ATOM 82 O LYS A 7 -18.934 -0.030 -3.186 1.00 0.00 O ATOM 83 CB LYS A 7 -15.978 1.286 -2.301 1.00 0.00 C ATOM 84 CG LYS A 7 -16.126 1.671 -3.774 1.00 0.00 C ATOM 85 CD LYS A 7 -14.740 1.882 -4.390 1.00 0.00 C ATOM 86 CE LYS A 7 -14.891 2.419 -5.814 1.00 0.00 C ATOM 87 NZ LYS A 7 -15.368 1.328 -6.709 1.00 0.00 N ATOM 0 H LYS A 7 -16.285 0.755 0.083 1.00 0.00 H new ATOM 0 HA LYS A 7 -18.001 1.882 -1.852 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -15.484 2.088 -1.752 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -15.349 0.401 -2.207 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -16.660 0.888 -4.313 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -16.718 2.582 -3.865 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -14.164 2.582 -3.785 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -14.188 0.942 -4.401 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -15.597 3.250 -5.828 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -13.937 2.806 -6.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -15.357 1.658 -7.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -14.743 0.502 -6.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -16.337 1.060 -6.444 1.00 0.00 H new ATOM 101 N LEU A 8 -17.466 -1.375 -2.137 1.00 0.00 N ATOM 102 CA LEU A 8 -17.989 -2.587 -2.759 1.00 0.00 C ATOM 103 C LEU A 8 -19.395 -2.895 -2.249 1.00 0.00 C ATOM 104 O LEU A 8 -20.247 -3.369 -3.000 1.00 0.00 O ATOM 105 CB LEU A 8 -17.063 -3.771 -2.464 1.00 0.00 C ATOM 106 CG LEU A 8 -15.647 -3.455 -2.960 1.00 0.00 C ATOM 107 CD1 LEU A 8 -14.748 -4.674 -2.748 1.00 0.00 C ATOM 108 CD2 LEU A 8 -15.687 -3.115 -4.452 1.00 0.00 C ATOM 0 H LEU A 8 -16.687 -1.527 -1.497 1.00 0.00 H new ATOM 0 HA LEU A 8 -18.037 -2.424 -3.836 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -17.047 -3.975 -1.393 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -17.438 -4.670 -2.954 1.00 0.00 H new ATOM 0 HG LEU A 8 -15.253 -2.605 -2.402 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -13.741 -4.449 -3.101 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -14.714 -4.921 -1.687 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -15.147 -5.522 -3.305 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -14.679 -2.891 -4.801 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -16.083 -3.964 -5.008 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -16.327 -2.247 -4.610 1.00 0.00 H new ATOM 120 N GLY A 9 -19.630 -2.621 -0.970 1.00 0.00 N ATOM 121 CA GLY A 9 -20.937 -2.873 -0.374 1.00 0.00 C ATOM 122 C GLY A 9 -21.023 -4.292 0.180 1.00 0.00 C ATOM 123 O GLY A 9 -22.092 -4.744 0.588 1.00 0.00 O ATOM 0 H GLY A 9 -18.939 -2.228 -0.331 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -21.120 -2.155 0.426 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -21.716 -2.723 -1.121 1.00 0.00 H new ATOM 127 N GLY A 10 -19.892 -4.990 0.191 1.00 0.00 N ATOM 128 CA GLY A 10 -19.854 -6.358 0.698 1.00 0.00 C ATOM 129 C GLY A 10 -18.511 -6.656 1.356 1.00 0.00 C ATOM 130 O GLY A 10 -17.508 -6.871 0.674 1.00 0.00 O ATOM 0 H GLY A 10 -18.996 -4.635 -0.142 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -20.658 -6.505 1.419 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -20.027 -7.058 -0.119 1.00 0.00 H new ATOM 134 N ALA A 11 -18.497 -6.666 2.685 1.00 0.00 N ATOM 135 CA ALA A 11 -17.271 -6.938 3.425 1.00 0.00 C ATOM 136 C ALA A 11 -16.786 -8.360 3.160 1.00 0.00 C ATOM 137 O ALA A 11 -15.587 -8.601 3.023 1.00 0.00 O ATOM 138 CB ALA A 11 -17.512 -6.751 4.924 1.00 0.00 C ATOM 0 H ALA A 11 -19.315 -6.490 3.268 1.00 0.00 H new ATOM 0 HA ALA A 11 -16.506 -6.238 3.090 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -16.591 -6.956 5.469 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -17.827 -5.725 5.117 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -18.291 -7.438 5.256 1.00 0.00 H new ATOM 144 N ALA A 12 -17.726 -9.297 3.090 1.00 0.00 N ATOM 145 CA ALA A 12 -17.380 -10.691 2.842 1.00 0.00 C ATOM 146 C ALA A 12 -16.774 -10.854 1.452 1.00 0.00 C ATOM 147 O ALA A 12 -15.832 -11.622 1.263 1.00 0.00 O ATOM 148 CB ALA A 12 -18.627 -11.569 2.961 1.00 0.00 C ATOM 0 H ALA A 12 -18.724 -9.119 3.200 1.00 0.00 H new ATOM 0 HA ALA A 12 -16.646 -11.000 3.586 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -18.359 -12.609 2.774 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -19.043 -11.476 3.964 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -19.369 -11.248 2.230 1.00 0.00 H new ATOM 154 N ALA A 13 -17.321 -10.127 0.484 1.00 0.00 N ATOM 155 CA ALA A 13 -16.826 -10.200 -0.886 1.00 0.00 C ATOM 156 C ALA A 13 -15.386 -9.706 -0.966 1.00 0.00 C ATOM 157 O ALA A 13 -14.598 -10.189 -1.778 1.00 0.00 O ATOM 158 CB ALA A 13 -17.710 -9.353 -1.804 1.00 0.00 C ATOM 0 H ALA A 13 -18.102 -9.485 0.621 1.00 0.00 H new ATOM 0 HA ALA A 13 -16.857 -11.241 -1.208 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -17.335 -9.412 -2.826 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -18.733 -9.728 -1.771 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -17.692 -8.316 -1.470 1.00 0.00 H new ATOM 164 N VAL A 14 -15.051 -8.738 -0.119 1.00 0.00 N ATOM 165 CA VAL A 14 -13.702 -8.183 -0.107 1.00 0.00 C ATOM 166 C VAL A 14 -12.680 -9.257 0.245 1.00 0.00 C ATOM 167 O VAL A 14 -11.612 -9.334 -0.362 1.00 0.00 O ATOM 168 CB VAL A 14 -13.618 -7.047 0.916 1.00 0.00 C ATOM 169 CG1 VAL A 14 -12.176 -6.544 1.005 1.00 0.00 C ATOM 170 CG2 VAL A 14 -14.533 -5.901 0.482 1.00 0.00 C ATOM 0 H VAL A 14 -15.688 -8.325 0.562 1.00 0.00 H new ATOM 0 HA VAL A 14 -13.479 -7.799 -1.103 1.00 0.00 H new ATOM 0 HB VAL A 14 -13.934 -7.414 1.892 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -12.117 -5.735 1.733 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -11.524 -7.361 1.316 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -11.858 -6.177 0.029 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -14.473 -5.092 1.210 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -14.218 -5.534 -0.495 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -15.561 -6.259 0.421 1.00 0.00 H new ATOM 180 N ASP A 15 -13.010 -10.082 1.234 1.00 0.00 N ATOM 181 CA ASP A 15 -12.108 -11.145 1.663 1.00 0.00 C ATOM 182 C ASP A 15 -11.821 -12.121 0.525 1.00 0.00 C ATOM 183 O ASP A 15 -10.690 -12.573 0.359 1.00 0.00 O ATOM 184 CB ASP A 15 -12.722 -11.903 2.842 1.00 0.00 C ATOM 185 CG ASP A 15 -12.798 -10.995 4.064 1.00 0.00 C ATOM 186 OD1 ASP A 15 -12.188 -9.939 4.030 1.00 0.00 O ATOM 187 OD2 ASP A 15 -13.464 -11.369 5.015 1.00 0.00 O ATOM 0 H ASP A 15 -13.889 -10.036 1.750 1.00 0.00 H new ATOM 0 HA ASP A 15 -11.167 -10.686 1.967 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -13.719 -12.256 2.578 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -12.122 -12.784 3.070 1.00 0.00 H new ATOM 192 N LEU A 16 -12.850 -12.446 -0.253 1.00 0.00 N ATOM 193 CA LEU A 16 -12.685 -13.378 -1.366 1.00 0.00 C ATOM 194 C LEU A 16 -11.662 -12.857 -2.370 1.00 0.00 C ATOM 195 O LEU A 16 -10.841 -13.618 -2.880 1.00 0.00 O ATOM 196 CB LEU A 16 -14.026 -13.599 -2.072 1.00 0.00 C ATOM 197 CG LEU A 16 -14.789 -14.744 -1.397 1.00 0.00 C ATOM 198 CD1 LEU A 16 -14.105 -16.078 -1.710 1.00 0.00 C ATOM 199 CD2 LEU A 16 -14.811 -14.529 0.119 1.00 0.00 C ATOM 0 H LEU A 16 -13.796 -12.083 -0.136 1.00 0.00 H new ATOM 0 HA LEU A 16 -12.325 -14.324 -0.961 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -14.619 -12.685 -2.038 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -13.859 -13.832 -3.124 1.00 0.00 H new ATOM 0 HG LEU A 16 -15.811 -14.762 -1.776 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -14.651 -16.889 -1.228 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -14.095 -16.238 -2.788 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -13.081 -16.058 -1.337 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -15.355 -15.345 0.594 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -13.789 -14.504 0.498 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -15.305 -13.584 0.345 1.00 0.00 H new ATOM 211 N ALA A 17 -11.714 -11.560 -2.651 1.00 0.00 N ATOM 212 CA ALA A 17 -10.781 -10.961 -3.599 1.00 0.00 C ATOM 213 C ALA A 17 -9.352 -11.061 -3.077 1.00 0.00 C ATOM 214 O ALA A 17 -8.411 -11.265 -3.845 1.00 0.00 O ATOM 215 CB ALA A 17 -11.143 -9.494 -3.830 1.00 0.00 C ATOM 0 H ALA A 17 -12.384 -10.909 -2.242 1.00 0.00 H new ATOM 0 HA ALA A 17 -10.849 -11.503 -4.542 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -10.442 -9.054 -4.539 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -12.154 -9.428 -4.231 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -11.091 -8.953 -2.885 1.00 0.00 H new ATOM 221 N VAL A 18 -9.199 -10.913 -1.767 1.00 0.00 N ATOM 222 CA VAL A 18 -7.883 -10.984 -1.142 1.00 0.00 C ATOM 223 C VAL A 18 -7.286 -12.383 -1.279 1.00 0.00 C ATOM 224 O VAL A 18 -6.078 -12.534 -1.464 1.00 0.00 O ATOM 225 CB VAL A 18 -7.991 -10.616 0.338 1.00 0.00 C ATOM 226 CG1 VAL A 18 -6.643 -10.849 1.022 1.00 0.00 C ATOM 227 CG2 VAL A 18 -8.380 -9.143 0.468 1.00 0.00 C ATOM 0 H VAL A 18 -9.967 -10.743 -1.118 1.00 0.00 H new ATOM 0 HA VAL A 18 -7.227 -10.277 -1.649 1.00 0.00 H new ATOM 0 HB VAL A 18 -8.751 -11.237 0.813 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -6.720 -10.587 2.077 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -6.364 -11.899 0.929 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -5.883 -10.228 0.548 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -8.457 -8.879 1.523 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -7.620 -8.523 -0.007 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -9.341 -8.976 -0.019 1.00 0.00 H new ATOM 237 N GLU A 19 -8.132 -13.404 -1.172 1.00 0.00 N ATOM 238 CA GLU A 19 -7.663 -14.783 -1.272 1.00 0.00 C ATOM 239 C GLU A 19 -7.003 -15.044 -2.622 1.00 0.00 C ATOM 240 O GLU A 19 -5.986 -15.733 -2.698 1.00 0.00 O ATOM 241 CB GLU A 19 -8.834 -15.750 -1.085 1.00 0.00 C ATOM 242 CG GLU A 19 -9.364 -15.644 0.345 1.00 0.00 C ATOM 243 CD GLU A 19 -10.495 -16.644 0.557 1.00 0.00 C ATOM 244 OE1 GLU A 19 -10.921 -17.241 -0.418 1.00 0.00 O ATOM 245 OE2 GLU A 19 -10.918 -16.799 1.691 1.00 0.00 O ATOM 0 H GLU A 19 -9.135 -13.305 -1.018 1.00 0.00 H new ATOM 0 HA GLU A 19 -6.924 -14.943 -0.487 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -9.627 -15.518 -1.796 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -8.512 -16.771 -1.289 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -8.560 -15.836 1.055 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -9.722 -14.632 0.535 1.00 0.00 H new ATOM 252 N LYS A 20 -7.578 -14.493 -3.687 1.00 0.00 N ATOM 253 CA LYS A 20 -7.013 -14.687 -5.018 1.00 0.00 C ATOM 254 C LYS A 20 -5.617 -14.081 -5.094 1.00 0.00 C ATOM 255 O LYS A 20 -4.695 -14.689 -5.638 1.00 0.00 O ATOM 256 CB LYS A 20 -7.913 -14.043 -6.081 1.00 0.00 C ATOM 257 CG LYS A 20 -9.132 -14.932 -6.360 1.00 0.00 C ATOM 258 CD LYS A 20 -10.157 -14.780 -5.235 1.00 0.00 C ATOM 259 CE LYS A 20 -11.409 -15.590 -5.575 1.00 0.00 C ATOM 260 NZ LYS A 20 -11.852 -16.349 -4.371 1.00 0.00 N ATOM 0 H LYS A 20 -8.420 -13.918 -3.657 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.948 -15.758 -5.209 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -8.241 -13.061 -5.742 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -7.348 -13.890 -7.001 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -9.583 -14.657 -7.314 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -8.822 -15.974 -6.443 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -9.732 -15.125 -4.292 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -10.415 -13.729 -5.103 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -12.205 -14.926 -5.912 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -11.199 -16.277 -6.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -12.703 -16.900 -4.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -11.094 -16.994 -4.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -12.068 -15.684 -3.601 1.00 0.00 H new ATOM 274 N PHE A 21 -5.466 -12.882 -4.542 1.00 0.00 N ATOM 275 CA PHE A 21 -4.173 -12.207 -4.550 1.00 0.00 C ATOM 276 C PHE A 21 -3.201 -12.902 -3.601 1.00 0.00 C ATOM 277 O PHE A 21 -2.070 -13.214 -3.973 1.00 0.00 O ATOM 278 CB PHE A 21 -4.341 -10.746 -4.130 1.00 0.00 C ATOM 279 CG PHE A 21 -3.019 -10.030 -4.267 1.00 0.00 C ATOM 280 CD1 PHE A 21 -2.656 -9.457 -5.490 1.00 0.00 C ATOM 281 CD2 PHE A 21 -2.153 -9.942 -3.169 1.00 0.00 C ATOM 282 CE1 PHE A 21 -1.430 -8.795 -5.618 1.00 0.00 C ATOM 283 CE2 PHE A 21 -0.927 -9.281 -3.297 1.00 0.00 C ATOM 284 CZ PHE A 21 -0.564 -8.707 -4.521 1.00 0.00 C ATOM 0 H PHE A 21 -6.216 -12.361 -4.087 1.00 0.00 H new ATOM 0 HA PHE A 21 -3.770 -12.249 -5.562 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -5.095 -10.262 -4.751 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -4.692 -10.690 -3.100 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -3.323 -9.526 -6.337 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -2.432 -10.384 -2.224 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -1.152 -8.352 -6.563 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -0.260 -9.213 -2.451 1.00 0.00 H new ATOM 0 HZ PHE A 21 0.383 -8.197 -4.619 1.00 0.00 H new ATOM 294 N TYR A 22 -3.652 -13.134 -2.372 1.00 0.00 N ATOM 295 CA TYR A 22 -2.816 -13.786 -1.369 1.00 0.00 C ATOM 296 C TYR A 22 -2.410 -15.185 -1.822 1.00 0.00 C ATOM 297 O TYR A 22 -1.259 -15.589 -1.658 1.00 0.00 O ATOM 298 CB TYR A 22 -3.573 -13.882 -0.044 1.00 0.00 C ATOM 299 CG TYR A 22 -2.679 -14.502 1.002 1.00 0.00 C ATOM 300 CD1 TYR A 22 -1.778 -13.703 1.717 1.00 0.00 C ATOM 301 CD2 TYR A 22 -2.749 -15.877 1.257 1.00 0.00 C ATOM 302 CE1 TYR A 22 -0.949 -14.279 2.687 1.00 0.00 C ATOM 303 CE2 TYR A 22 -1.921 -16.453 2.228 1.00 0.00 C ATOM 304 CZ TYR A 22 -1.020 -15.654 2.942 1.00 0.00 C ATOM 305 OH TYR A 22 -0.204 -16.221 3.899 1.00 0.00 O ATOM 0 H TYR A 22 -4.586 -12.882 -2.048 1.00 0.00 H new ATOM 0 HA TYR A 22 -1.915 -13.187 -1.237 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -3.893 -12.891 0.277 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -4.474 -14.483 -0.170 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -1.723 -12.643 1.520 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -3.442 -16.494 0.704 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -0.255 -13.663 3.239 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -1.977 -17.513 2.426 1.00 0.00 H new ATOM 0 HH TYR A 22 -0.381 -17.184 3.951 1.00 0.00 H new ATOM 315 N GLY A 23 -3.361 -15.920 -2.387 1.00 0.00 N ATOM 316 CA GLY A 23 -3.082 -17.274 -2.850 1.00 0.00 C ATOM 317 C GLY A 23 -1.957 -17.277 -3.878 1.00 0.00 C ATOM 318 O GLY A 23 -1.040 -18.094 -3.807 1.00 0.00 O ATOM 0 H GLY A 23 -4.320 -15.606 -2.534 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -2.808 -17.903 -2.003 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.982 -17.705 -3.289 1.00 0.00 H new ATOM 322 N LYS A 24 -2.034 -16.357 -4.834 1.00 0.00 N ATOM 323 CA LYS A 24 -1.015 -16.262 -5.871 1.00 0.00 C ATOM 324 C LYS A 24 0.336 -15.911 -5.255 1.00 0.00 C ATOM 325 O LYS A 24 1.365 -16.482 -5.620 1.00 0.00 O ATOM 326 CB LYS A 24 -1.417 -15.199 -6.893 1.00 0.00 C ATOM 327 CG LYS A 24 -0.526 -15.312 -8.131 1.00 0.00 C ATOM 328 CD LYS A 24 -1.020 -14.332 -9.200 1.00 0.00 C ATOM 329 CE LYS A 24 -1.238 -15.069 -10.524 1.00 0.00 C ATOM 330 NZ LYS A 24 -1.983 -14.184 -11.464 1.00 0.00 N ATOM 0 H LYS A 24 -2.786 -15.672 -4.912 1.00 0.00 H new ATOM 0 HA LYS A 24 -0.929 -17.226 -6.372 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -2.463 -15.327 -7.173 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -1.323 -14.205 -6.455 1.00 0.00 H new ATOM 0 HG2 LYS A 24 0.509 -15.092 -7.870 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -0.548 -16.331 -8.517 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -1.951 -13.866 -8.876 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -0.293 -13.531 -9.335 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -0.279 -15.353 -10.957 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -1.796 -15.989 -10.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -2.059 -14.648 -12.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -2.936 -14.003 -11.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -1.475 -13.283 -11.569 1.00 0.00 H new ATOM 344 N VAL A 25 0.322 -14.975 -4.310 1.00 0.00 N ATOM 345 CA VAL A 25 1.548 -14.561 -3.639 1.00 0.00 C ATOM 346 C VAL A 25 2.140 -15.728 -2.859 1.00 0.00 C ATOM 347 O VAL A 25 3.355 -15.919 -2.830 1.00 0.00 O ATOM 348 CB VAL A 25 1.254 -13.399 -2.688 1.00 0.00 C ATOM 349 CG1 VAL A 25 2.490 -13.106 -1.836 1.00 0.00 C ATOM 350 CG2 VAL A 25 0.892 -12.155 -3.502 1.00 0.00 C ATOM 0 H VAL A 25 -0.519 -14.492 -3.994 1.00 0.00 H new ATOM 0 HA VAL A 25 2.268 -14.237 -4.391 1.00 0.00 H new ATOM 0 HB VAL A 25 0.421 -13.666 -2.038 1.00 0.00 H new ATOM 0 HG11 VAL A 25 2.278 -12.278 -1.160 1.00 0.00 H new ATOM 0 HG12 VAL A 25 2.750 -13.991 -1.256 1.00 0.00 H new ATOM 0 HG13 VAL A 25 3.324 -12.840 -2.485 1.00 0.00 H new ATOM 0 HG21 VAL A 25 0.682 -11.326 -2.826 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.726 -11.891 -4.153 1.00 0.00 H new ATOM 0 HG23 VAL A 25 0.010 -12.361 -4.108 1.00 0.00 H new ATOM 360 N LEU A 26 1.266 -16.506 -2.228 1.00 0.00 N ATOM 361 CA LEU A 26 1.701 -17.657 -1.449 1.00 0.00 C ATOM 362 C LEU A 26 2.469 -18.637 -2.331 1.00 0.00 C ATOM 363 O LEU A 26 3.433 -19.261 -1.889 1.00 0.00 O ATOM 364 CB LEU A 26 0.484 -18.359 -0.840 1.00 0.00 C ATOM 365 CG LEU A 26 0.944 -19.474 0.107 1.00 0.00 C ATOM 366 CD1 LEU A 26 1.502 -18.869 1.399 1.00 0.00 C ATOM 367 CD2 LEU A 26 -0.247 -20.374 0.443 1.00 0.00 C ATOM 0 H LEU A 26 0.257 -16.360 -2.241 1.00 0.00 H new ATOM 0 HA LEU A 26 2.359 -17.311 -0.652 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.128 -17.639 -0.297 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -0.140 -18.776 -1.631 1.00 0.00 H new ATOM 0 HG LEU A 26 1.725 -20.058 -0.380 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.826 -19.669 2.065 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.351 -18.227 1.163 1.00 0.00 H new ATOM 0 HD13 LEU A 26 0.727 -18.280 1.889 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.076 -21.168 1.116 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.025 -19.783 0.926 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.641 -20.813 -0.473 1.00 0.00 H new ATOM 379 N ALA A 27 2.030 -18.769 -3.578 1.00 0.00 N ATOM 380 CA ALA A 27 2.679 -19.680 -4.513 1.00 0.00 C ATOM 381 C ALA A 27 4.138 -19.291 -4.725 1.00 0.00 C ATOM 382 O ALA A 27 5.008 -20.154 -4.835 1.00 0.00 O ATOM 383 CB ALA A 27 1.944 -19.659 -5.854 1.00 0.00 C ATOM 0 H ALA A 27 1.234 -18.261 -3.962 1.00 0.00 H new ATOM 0 HA ALA A 27 2.644 -20.685 -4.092 1.00 0.00 H new ATOM 0 HB1 ALA A 27 2.434 -20.342 -6.548 1.00 0.00 H new ATOM 0 HB2 ALA A 27 0.910 -19.971 -5.707 1.00 0.00 H new ATOM 0 HB3 ALA A 27 1.963 -18.649 -6.264 1.00 0.00 H new ATOM 389 N ASP A 28 4.404 -17.988 -4.780 1.00 0.00 N ATOM 390 CA ASP A 28 5.768 -17.511 -4.978 1.00 0.00 C ATOM 391 C ASP A 28 6.499 -17.411 -3.642 1.00 0.00 C ATOM 392 O ASP A 28 6.235 -16.513 -2.845 1.00 0.00 O ATOM 393 CB ASP A 28 5.751 -16.140 -5.655 1.00 0.00 C ATOM 394 CG ASP A 28 7.174 -15.705 -5.988 1.00 0.00 C ATOM 395 OD1 ASP A 28 8.075 -16.506 -5.802 1.00 0.00 O ATOM 396 OD2 ASP A 28 7.342 -14.579 -6.425 1.00 0.00 O ATOM 0 H ASP A 28 3.702 -17.253 -4.691 1.00 0.00 H new ATOM 0 HA ASP A 28 6.292 -18.223 -5.615 1.00 0.00 H new ATOM 0 HB2 ASP A 28 5.152 -16.182 -6.565 1.00 0.00 H new ATOM 0 HB3 ASP A 28 5.282 -15.407 -4.999 1.00 0.00 H new ATOM 401 N GLU A 29 7.421 -18.339 -3.407 1.00 0.00 N ATOM 402 CA GLU A 29 8.187 -18.345 -2.166 1.00 0.00 C ATOM 403 C GLU A 29 9.260 -17.261 -2.185 1.00 0.00 C ATOM 404 O GLU A 29 9.769 -16.859 -1.139 1.00 0.00 O ATOM 405 CB GLU A 29 8.839 -19.716 -1.963 1.00 0.00 C ATOM 406 CG GLU A 29 9.991 -19.893 -2.954 1.00 0.00 C ATOM 407 CD GLU A 29 10.517 -21.323 -2.889 1.00 0.00 C ATOM 408 OE1 GLU A 29 11.115 -21.668 -1.883 1.00 0.00 O ATOM 409 OE2 GLU A 29 10.315 -22.052 -3.847 1.00 0.00 O ATOM 0 H GLU A 29 7.655 -19.092 -4.055 1.00 0.00 H new ATOM 0 HA GLU A 29 7.505 -18.141 -1.341 1.00 0.00 H new ATOM 0 HB2 GLU A 29 9.209 -19.806 -0.942 1.00 0.00 H new ATOM 0 HB3 GLU A 29 8.100 -20.505 -2.105 1.00 0.00 H new ATOM 0 HG2 GLU A 29 9.651 -19.667 -3.965 1.00 0.00 H new ATOM 0 HG3 GLU A 29 10.792 -19.191 -2.723 1.00 0.00 H new ATOM 416 N ARG A 30 9.611 -16.802 -3.381 1.00 0.00 N ATOM 417 CA ARG A 30 10.638 -15.775 -3.526 1.00 0.00 C ATOM 418 C ARG A 30 10.280 -14.519 -2.736 1.00 0.00 C ATOM 419 O ARG A 30 11.145 -13.900 -2.116 1.00 0.00 O ATOM 420 CB ARG A 30 10.806 -15.415 -5.003 1.00 0.00 C ATOM 421 CG ARG A 30 11.318 -16.634 -5.773 1.00 0.00 C ATOM 422 CD ARG A 30 11.601 -16.239 -7.223 1.00 0.00 C ATOM 423 NE ARG A 30 10.402 -15.683 -7.838 1.00 0.00 N ATOM 424 CZ ARG A 30 10.482 -14.836 -8.859 1.00 0.00 C ATOM 425 NH1 ARG A 30 11.649 -14.489 -9.330 1.00 0.00 N ATOM 426 NH2 ARG A 30 9.395 -14.350 -9.392 1.00 0.00 N ATOM 0 H ARG A 30 9.203 -17.122 -4.260 1.00 0.00 H new ATOM 0 HA ARG A 30 11.572 -16.175 -3.133 1.00 0.00 H new ATOM 0 HB2 ARG A 30 9.854 -15.084 -5.418 1.00 0.00 H new ATOM 0 HB3 ARG A 30 11.505 -14.586 -5.108 1.00 0.00 H new ATOM 0 HG2 ARG A 30 12.225 -17.018 -5.306 1.00 0.00 H new ATOM 0 HG3 ARG A 30 10.579 -17.435 -5.741 1.00 0.00 H new ATOM 0 HD2 ARG A 30 12.408 -15.507 -7.257 1.00 0.00 H new ATOM 0 HD3 ARG A 30 11.936 -17.110 -7.786 1.00 0.00 H new ATOM 0 HE ARG A 30 9.485 -15.949 -7.478 1.00 0.00 H new ATOM 0 HH11 ARG A 30 12.500 -14.868 -8.914 1.00 0.00 H new ATOM 0 HH12 ARG A 30 11.710 -13.839 -10.114 1.00 0.00 H new ATOM 0 HH21 ARG A 30 8.482 -14.620 -9.025 1.00 0.00 H new ATOM 0 HH22 ARG A 30 9.458 -13.700 -10.176 1.00 0.00 H new ATOM 440 N VAL A 31 9.006 -14.137 -2.765 1.00 0.00 N ATOM 441 CA VAL A 31 8.568 -12.944 -2.047 1.00 0.00 C ATOM 442 C VAL A 31 8.347 -13.247 -0.567 1.00 0.00 C ATOM 443 O VAL A 31 8.523 -12.379 0.286 1.00 0.00 O ATOM 444 CB VAL A 31 7.274 -12.406 -2.662 1.00 0.00 C ATOM 445 CG1 VAL A 31 7.471 -12.201 -4.164 1.00 0.00 C ATOM 446 CG2 VAL A 31 6.142 -13.409 -2.430 1.00 0.00 C ATOM 0 H VAL A 31 8.268 -14.628 -3.270 1.00 0.00 H new ATOM 0 HA VAL A 31 9.351 -12.191 -2.133 1.00 0.00 H new ATOM 0 HB VAL A 31 7.018 -11.455 -2.195 1.00 0.00 H new ATOM 0 HG11 VAL A 31 6.550 -11.818 -4.603 1.00 0.00 H new ATOM 0 HG12 VAL A 31 8.277 -11.487 -4.331 1.00 0.00 H new ATOM 0 HG13 VAL A 31 7.727 -13.152 -4.631 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.221 -13.025 -2.868 1.00 0.00 H new ATOM 0 HG22 VAL A 31 6.397 -14.360 -2.897 1.00 0.00 H new ATOM 0 HG23 VAL A 31 6.001 -13.557 -1.359 1.00 0.00 H new ATOM 456 N ASN A 32 7.955 -14.483 -0.274 1.00 0.00 N ATOM 457 CA ASN A 32 7.701 -14.893 1.105 1.00 0.00 C ATOM 458 C ASN A 32 8.931 -14.677 1.982 1.00 0.00 C ATOM 459 O ASN A 32 8.809 -14.363 3.166 1.00 0.00 O ATOM 460 CB ASN A 32 7.305 -16.370 1.142 1.00 0.00 C ATOM 461 CG ASN A 32 5.982 -16.573 0.409 1.00 0.00 C ATOM 462 OD1 ASN A 32 5.245 -15.613 0.181 1.00 0.00 O ATOM 463 ND2 ASN A 32 5.638 -17.770 0.024 1.00 0.00 N ATOM 0 H ASN A 32 7.807 -15.216 -0.968 1.00 0.00 H new ATOM 0 HA ASN A 32 6.888 -14.280 1.494 1.00 0.00 H new ATOM 0 HB2 ASN A 32 8.084 -16.976 0.679 1.00 0.00 H new ATOM 0 HB3 ASN A 32 7.213 -16.705 2.175 1.00 0.00 H new ATOM 0 HD21 ASN A 32 4.756 -17.914 -0.468 1.00 0.00 H new ATOM 0 HD22 ASN A 32 6.251 -18.563 0.214 1.00 0.00 H new ATOM 470 N ARG A 33 10.112 -14.855 1.404 1.00 0.00 N ATOM 471 CA ARG A 33 11.350 -14.686 2.157 1.00 0.00 C ATOM 472 C ARG A 33 11.421 -13.295 2.785 1.00 0.00 C ATOM 473 O ARG A 33 11.867 -13.139 3.921 1.00 0.00 O ATOM 474 CB ARG A 33 12.553 -14.892 1.236 1.00 0.00 C ATOM 475 CG ARG A 33 12.561 -16.332 0.720 1.00 0.00 C ATOM 476 CD ARG A 33 13.823 -16.569 -0.110 1.00 0.00 C ATOM 477 NE ARG A 33 13.751 -17.864 -0.779 1.00 0.00 N ATOM 478 CZ ARG A 33 14.538 -18.148 -1.811 1.00 0.00 C ATOM 479 NH1 ARG A 33 15.400 -17.266 -2.237 1.00 0.00 N ATOM 480 NH2 ARG A 33 14.451 -19.312 -2.397 1.00 0.00 N ATOM 0 H ARG A 33 10.240 -15.114 0.426 1.00 0.00 H new ATOM 0 HA ARG A 33 11.367 -15.429 2.954 1.00 0.00 H new ATOM 0 HB2 ARG A 33 12.507 -14.195 0.399 1.00 0.00 H new ATOM 0 HB3 ARG A 33 13.477 -14.683 1.775 1.00 0.00 H new ATOM 0 HG2 ARG A 33 12.527 -17.030 1.557 1.00 0.00 H new ATOM 0 HG3 ARG A 33 11.674 -16.517 0.114 1.00 0.00 H new ATOM 0 HD2 ARG A 33 13.935 -15.776 -0.849 1.00 0.00 H new ATOM 0 HD3 ARG A 33 14.702 -16.532 0.533 1.00 0.00 H new ATOM 0 HE ARG A 33 13.085 -18.563 -0.449 1.00 0.00 H new ATOM 0 HH11 ARG A 33 15.470 -16.358 -1.778 1.00 0.00 H new ATOM 0 HH12 ARG A 33 16.004 -17.485 -3.029 1.00 0.00 H new ATOM 0 HH21 ARG A 33 13.779 -20.003 -2.062 1.00 0.00 H new ATOM 0 HH22 ARG A 33 15.055 -19.530 -3.189 1.00 0.00 H new ATOM 494 N PHE A 34 10.981 -12.289 2.036 1.00 0.00 N ATOM 495 CA PHE A 34 11.001 -10.915 2.529 1.00 0.00 C ATOM 496 C PHE A 34 9.975 -10.709 3.641 1.00 0.00 C ATOM 497 O PHE A 34 10.186 -9.907 4.550 1.00 0.00 O ATOM 498 CB PHE A 34 10.716 -9.945 1.382 1.00 0.00 C ATOM 499 CG PHE A 34 11.881 -9.951 0.421 1.00 0.00 C ATOM 500 CD1 PHE A 34 12.957 -9.079 0.621 1.00 0.00 C ATOM 501 CD2 PHE A 34 11.886 -10.831 -0.667 1.00 0.00 C ATOM 502 CE1 PHE A 34 14.038 -9.085 -0.269 1.00 0.00 C ATOM 503 CE2 PHE A 34 12.966 -10.838 -1.557 1.00 0.00 C ATOM 504 CZ PHE A 34 14.042 -9.964 -1.358 1.00 0.00 C ATOM 0 H PHE A 34 10.609 -12.397 1.092 1.00 0.00 H new ATOM 0 HA PHE A 34 11.992 -10.720 2.938 1.00 0.00 H new ATOM 0 HB2 PHE A 34 9.802 -10.235 0.864 1.00 0.00 H new ATOM 0 HB3 PHE A 34 10.557 -8.940 1.772 1.00 0.00 H new ATOM 0 HD1 PHE A 34 12.954 -8.401 1.462 1.00 0.00 H new ATOM 0 HD2 PHE A 34 11.056 -11.505 -0.820 1.00 0.00 H new ATOM 0 HE1 PHE A 34 14.868 -8.412 -0.115 1.00 0.00 H new ATOM 0 HE2 PHE A 34 12.970 -11.517 -2.397 1.00 0.00 H new ATOM 0 HZ PHE A 34 14.875 -9.968 -2.045 1.00 0.00 H new ATOM 514 N PHE A 35 8.860 -11.429 3.557 1.00 0.00 N ATOM 515 CA PHE A 35 7.807 -11.302 4.561 1.00 0.00 C ATOM 516 C PHE A 35 8.104 -12.162 5.785 1.00 0.00 C ATOM 517 O PHE A 35 7.278 -12.268 6.690 1.00 0.00 O ATOM 518 CB PHE A 35 6.457 -11.709 3.966 1.00 0.00 C ATOM 519 CG PHE A 35 6.054 -10.717 2.901 1.00 0.00 C ATOM 520 CD1 PHE A 35 5.597 -9.446 3.266 1.00 0.00 C ATOM 521 CD2 PHE A 35 6.134 -11.071 1.549 1.00 0.00 C ATOM 522 CE1 PHE A 35 5.221 -8.526 2.280 1.00 0.00 C ATOM 523 CE2 PHE A 35 5.758 -10.152 0.562 1.00 0.00 C ATOM 524 CZ PHE A 35 5.302 -8.879 0.927 1.00 0.00 C ATOM 0 H PHE A 35 8.663 -12.099 2.814 1.00 0.00 H new ATOM 0 HA PHE A 35 7.769 -10.258 4.873 1.00 0.00 H new ATOM 0 HB2 PHE A 35 6.523 -12.710 3.539 1.00 0.00 H new ATOM 0 HB3 PHE A 35 5.699 -11.746 4.749 1.00 0.00 H new ATOM 0 HD1 PHE A 35 5.534 -9.174 4.309 1.00 0.00 H new ATOM 0 HD2 PHE A 35 6.486 -12.053 1.267 1.00 0.00 H new ATOM 0 HE1 PHE A 35 4.869 -7.545 2.562 1.00 0.00 H new ATOM 0 HE2 PHE A 35 5.820 -10.425 -0.481 1.00 0.00 H new ATOM 0 HZ PHE A 35 5.013 -8.170 0.165 1.00 0.00 H new ATOM 534 N VAL A 36 9.283 -12.775 5.814 1.00 0.00 N ATOM 535 CA VAL A 36 9.656 -13.617 6.944 1.00 0.00 C ATOM 536 C VAL A 36 9.593 -12.821 8.244 1.00 0.00 C ATOM 537 O VAL A 36 9.092 -13.307 9.258 1.00 0.00 O ATOM 538 CB VAL A 36 11.072 -14.161 6.747 1.00 0.00 C ATOM 539 CG1 VAL A 36 11.542 -14.842 8.033 1.00 0.00 C ATOM 540 CG2 VAL A 36 11.071 -15.177 5.604 1.00 0.00 C ATOM 0 H VAL A 36 9.987 -12.706 5.079 1.00 0.00 H new ATOM 0 HA VAL A 36 8.953 -14.448 7.002 1.00 0.00 H new ATOM 0 HB VAL A 36 11.746 -13.340 6.505 1.00 0.00 H new ATOM 0 HG11 VAL A 36 12.551 -15.229 7.892 1.00 0.00 H new ATOM 0 HG12 VAL A 36 11.542 -14.119 8.849 1.00 0.00 H new ATOM 0 HG13 VAL A 36 10.869 -15.664 8.277 1.00 0.00 H new ATOM 0 HG21 VAL A 36 12.079 -15.566 5.462 1.00 0.00 H new ATOM 0 HG22 VAL A 36 10.396 -15.998 5.847 1.00 0.00 H new ATOM 0 HG23 VAL A 36 10.737 -14.692 4.687 1.00 0.00 H new ATOM 550 N ASN A 37 10.100 -11.592 8.205 1.00 0.00 N ATOM 551 CA ASN A 37 10.091 -10.734 9.384 1.00 0.00 C ATOM 552 C ASN A 37 8.662 -10.498 9.865 1.00 0.00 C ATOM 553 O ASN A 37 8.412 -10.367 11.063 1.00 0.00 O ATOM 554 CB ASN A 37 10.749 -9.391 9.057 1.00 0.00 C ATOM 555 CG ASN A 37 12.218 -9.601 8.706 1.00 0.00 C ATOM 556 OD1 ASN A 37 12.867 -8.665 8.071 1.00 0.00 O flip ATOM 557 ND2 ASN A 37 12.788 -10.646 9.019 1.00 0.00 N flip ATOM 0 H ASN A 37 10.519 -11.171 7.376 1.00 0.00 H new ATOM 0 HA ASN A 37 10.651 -11.231 10.176 1.00 0.00 H new ATOM 0 HB2 ASN A 37 10.232 -8.917 8.223 1.00 0.00 H new ATOM 0 HB3 ASN A 37 10.663 -8.718 9.910 1.00 0.00 H new ATOM 0 HD21 ASN A 37 12.278 -11.376 9.516 1.00 0.00 H new ATOM 0 HD22 ASN A 37 13.771 -10.782 8.782 1.00 0.00 H new ATOM 564 N THR A 38 7.730 -10.440 8.918 1.00 0.00 N ATOM 565 CA THR A 38 6.327 -10.212 9.248 1.00 0.00 C ATOM 566 C THR A 38 5.556 -11.528 9.267 1.00 0.00 C ATOM 567 O THR A 38 5.793 -12.410 8.443 1.00 0.00 O ATOM 568 CB THR A 38 5.701 -9.267 8.220 1.00 0.00 C ATOM 569 OG1 THR A 38 6.447 -8.059 8.174 1.00 0.00 O ATOM 570 CG2 THR A 38 4.257 -8.964 8.616 1.00 0.00 C ATOM 0 H THR A 38 7.919 -10.547 7.921 1.00 0.00 H new ATOM 0 HA THR A 38 6.274 -9.762 10.240 1.00 0.00 H new ATOM 0 HB THR A 38 5.713 -9.739 7.237 1.00 0.00 H new ATOM 0 HG1 THR A 38 5.963 -7.396 7.639 1.00 0.00 H new ATOM 0 HG21 THR A 38 3.812 -8.291 7.883 1.00 0.00 H new ATOM 0 HG22 THR A 38 3.686 -9.892 8.649 1.00 0.00 H new ATOM 0 HG23 THR A 38 4.240 -8.492 9.599 1.00 0.00 H new ATOM 578 N ASP A 39 4.632 -11.656 10.215 1.00 0.00 N ATOM 579 CA ASP A 39 3.835 -12.873 10.327 1.00 0.00 C ATOM 580 C ASP A 39 2.747 -12.905 9.258 1.00 0.00 C ATOM 581 O ASP A 39 2.459 -11.893 8.618 1.00 0.00 O ATOM 582 CB ASP A 39 3.198 -12.952 11.715 1.00 0.00 C ATOM 583 CG ASP A 39 2.221 -11.799 11.907 1.00 0.00 C ATOM 584 OD1 ASP A 39 1.891 -11.160 10.922 1.00 0.00 O ATOM 585 OD2 ASP A 39 1.818 -11.569 13.036 1.00 0.00 O ATOM 0 H ASP A 39 4.418 -10.940 10.910 1.00 0.00 H new ATOM 0 HA ASP A 39 4.492 -13.730 10.180 1.00 0.00 H new ATOM 0 HB2 ASP A 39 2.678 -13.903 11.832 1.00 0.00 H new ATOM 0 HB3 ASP A 39 3.972 -12.915 12.482 1.00 0.00 H new ATOM 590 N MET A 40 2.151 -14.077 9.066 1.00 0.00 N ATOM 591 CA MET A 40 1.099 -14.243 8.067 1.00 0.00 C ATOM 592 C MET A 40 -0.100 -13.349 8.374 1.00 0.00 C ATOM 593 O MET A 40 -0.753 -12.843 7.462 1.00 0.00 O ATOM 594 CB MET A 40 0.647 -15.706 8.029 1.00 0.00 C ATOM 595 CG MET A 40 1.795 -16.590 7.532 1.00 0.00 C ATOM 596 SD MET A 40 2.605 -17.377 8.948 1.00 0.00 S ATOM 597 CE MET A 40 4.050 -18.022 8.066 1.00 0.00 C ATOM 0 H MET A 40 2.377 -14.924 9.587 1.00 0.00 H new ATOM 0 HA MET A 40 1.505 -13.955 7.097 1.00 0.00 H new ATOM 0 HB2 MET A 40 0.334 -16.025 9.023 1.00 0.00 H new ATOM 0 HB3 MET A 40 -0.217 -15.813 7.373 1.00 0.00 H new ATOM 0 HG2 MET A 40 1.414 -17.349 6.849 1.00 0.00 H new ATOM 0 HG3 MET A 40 2.515 -15.991 6.974 1.00 0.00 H new ATOM 0 HE1 MET A 40 4.696 -18.554 8.765 1.00 0.00 H new ATOM 0 HE2 MET A 40 3.723 -18.706 7.283 1.00 0.00 H new ATOM 0 HE3 MET A 40 4.602 -17.195 7.619 1.00 0.00 H new ATOM 607 N ALA A 41 -0.395 -13.165 9.657 1.00 0.00 N ATOM 608 CA ALA A 41 -1.530 -12.338 10.052 1.00 0.00 C ATOM 609 C ALA A 41 -1.357 -10.904 9.562 1.00 0.00 C ATOM 610 O ALA A 41 -2.192 -10.388 8.818 1.00 0.00 O ATOM 611 CB ALA A 41 -1.671 -12.341 11.575 1.00 0.00 C ATOM 0 H ALA A 41 0.129 -13.572 10.432 1.00 0.00 H new ATOM 0 HA ALA A 41 -2.429 -12.756 9.598 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -2.520 -11.722 11.863 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -1.831 -13.361 11.924 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -0.762 -11.942 12.025 1.00 0.00 H new ATOM 617 N LYS A 42 -0.271 -10.266 9.981 1.00 0.00 N ATOM 618 CA LYS A 42 0.000 -8.890 9.576 1.00 0.00 C ATOM 619 C LYS A 42 0.168 -8.795 8.062 1.00 0.00 C ATOM 620 O LYS A 42 -0.192 -7.789 7.451 1.00 0.00 O ATOM 621 CB LYS A 42 1.266 -8.381 10.265 1.00 0.00 C ATOM 622 CG LYS A 42 1.041 -8.322 11.778 1.00 0.00 C ATOM 623 CD LYS A 42 2.270 -7.709 12.452 1.00 0.00 C ATOM 624 CE LYS A 42 2.100 -7.761 13.972 1.00 0.00 C ATOM 625 NZ LYS A 42 3.347 -8.290 14.593 1.00 0.00 N ATOM 0 H LYS A 42 0.432 -10.675 10.596 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.848 -8.273 9.873 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.105 -9.039 10.038 1.00 0.00 H new ATOM 0 HB3 LYS A 42 1.525 -7.392 9.887 1.00 0.00 H new ATOM 0 HG2 LYS A 42 0.155 -7.727 12.002 1.00 0.00 H new ATOM 0 HG3 LYS A 42 0.860 -9.323 12.169 1.00 0.00 H new ATOM 0 HD2 LYS A 42 3.168 -8.252 12.157 1.00 0.00 H new ATOM 0 HD3 LYS A 42 2.400 -6.677 12.125 1.00 0.00 H new ATOM 0 HE2 LYS A 42 1.882 -6.765 14.359 1.00 0.00 H new ATOM 0 HE3 LYS A 42 1.253 -8.396 14.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 3.232 -8.326 15.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 3.535 -9.247 14.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 4.145 -7.667 14.355 1.00 0.00 H new ATOM 639 N GLN A 43 0.725 -9.844 7.464 1.00 0.00 N ATOM 640 CA GLN A 43 0.945 -9.859 6.022 1.00 0.00 C ATOM 641 C GLN A 43 -0.354 -9.589 5.270 1.00 0.00 C ATOM 642 O GLN A 43 -0.369 -8.846 4.289 1.00 0.00 O ATOM 643 CB GLN A 43 1.508 -11.216 5.596 1.00 0.00 C ATOM 644 CG GLN A 43 1.907 -11.162 4.120 1.00 0.00 C ATOM 645 CD GLN A 43 2.360 -12.541 3.651 1.00 0.00 C ATOM 646 OE1 GLN A 43 2.479 -13.509 4.517 1.00 0.00 O flip ATOM 647 NE2 GLN A 43 2.613 -12.740 2.463 1.00 0.00 N flip ATOM 0 H GLN A 43 1.030 -10.687 7.950 1.00 0.00 H new ATOM 0 HA GLN A 43 1.659 -9.072 5.778 1.00 0.00 H new ATOM 0 HB2 GLN A 43 2.373 -11.471 6.208 1.00 0.00 H new ATOM 0 HB3 GLN A 43 0.764 -11.996 5.754 1.00 0.00 H new ATOM 0 HG2 GLN A 43 1.063 -10.823 3.519 1.00 0.00 H new ATOM 0 HG3 GLN A 43 2.710 -10.439 3.978 1.00 0.00 H new ATOM 0 HE21 GLN A 43 2.519 -11.981 1.788 1.00 0.00 H new ATOM 0 HE22 GLN A 43 2.916 -13.663 2.154 1.00 0.00 H new ATOM 656 N LYS A 44 -1.444 -10.190 5.736 1.00 0.00 N ATOM 657 CA LYS A 44 -2.738 -9.997 5.092 1.00 0.00 C ATOM 658 C LYS A 44 -3.134 -8.526 5.123 1.00 0.00 C ATOM 659 O LYS A 44 -3.723 -8.010 4.173 1.00 0.00 O ATOM 660 CB LYS A 44 -3.807 -10.832 5.800 1.00 0.00 C ATOM 661 CG LYS A 44 -3.501 -12.321 5.612 1.00 0.00 C ATOM 662 CD LYS A 44 -4.583 -13.161 6.298 1.00 0.00 C ATOM 663 CE LYS A 44 -5.833 -13.224 5.416 1.00 0.00 C ATOM 664 NZ LYS A 44 -5.972 -14.596 4.848 1.00 0.00 N ATOM 0 H LYS A 44 -1.458 -10.808 6.548 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.658 -10.320 4.054 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -3.831 -10.586 6.862 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -4.792 -10.599 5.396 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.459 -12.562 4.550 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -2.523 -12.557 6.032 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.209 -14.167 6.486 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -4.832 -12.727 7.266 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -6.717 -12.970 6.001 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -5.761 -12.492 4.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -6.821 -14.639 4.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -5.133 -14.822 4.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -6.059 -15.285 5.622 1.00 0.00 H new ATOM 678 N GLN A 45 -2.806 -7.856 6.223 1.00 0.00 N ATOM 679 CA GLN A 45 -3.132 -6.442 6.372 1.00 0.00 C ATOM 680 C GLN A 45 -2.459 -5.615 5.280 1.00 0.00 C ATOM 681 O GLN A 45 -3.047 -4.670 4.755 1.00 0.00 O ATOM 682 CB GLN A 45 -2.678 -5.944 7.745 1.00 0.00 C ATOM 683 CG GLN A 45 -3.199 -4.523 7.971 1.00 0.00 C ATOM 684 CD GLN A 45 -2.645 -3.966 9.277 1.00 0.00 C ATOM 685 OE1 GLN A 45 -1.432 -3.822 9.427 1.00 0.00 O ATOM 686 NE2 GLN A 45 -3.467 -3.641 10.238 1.00 0.00 N ATOM 0 H GLN A 45 -2.318 -8.266 7.019 1.00 0.00 H new ATOM 0 HA GLN A 45 -4.212 -6.328 6.282 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -3.050 -6.608 8.526 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -1.590 -5.958 7.807 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -2.905 -3.883 7.139 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -4.289 -4.527 8.001 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -4.472 -3.761 10.112 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -3.104 -3.267 11.115 1.00 0.00 H new ATOM 695 N HIS A 46 -1.222 -5.972 4.947 1.00 0.00 N ATOM 696 CA HIS A 46 -0.482 -5.248 3.920 1.00 0.00 C ATOM 697 C HIS A 46 -1.228 -5.284 2.590 1.00 0.00 C ATOM 698 O HIS A 46 -1.328 -4.272 1.897 1.00 0.00 O ATOM 699 CB HIS A 46 0.910 -5.857 3.746 1.00 0.00 C ATOM 700 CG HIS A 46 1.715 -5.004 2.802 1.00 0.00 C ATOM 701 ND1 HIS A 46 1.938 -5.367 1.484 1.00 0.00 N ATOM 702 CD2 HIS A 46 2.354 -3.800 2.972 1.00 0.00 C ATOM 703 CE1 HIS A 46 2.682 -4.399 0.916 1.00 0.00 C ATOM 704 NE2 HIS A 46 2.964 -3.419 1.781 1.00 0.00 N ATOM 0 H HIS A 46 -0.715 -6.750 5.369 1.00 0.00 H new ATOM 0 HA HIS A 46 -0.384 -4.210 4.238 1.00 0.00 H new ATOM 0 HB2 HIS A 46 1.413 -5.925 4.711 1.00 0.00 H new ATOM 0 HB3 HIS A 46 0.829 -6.872 3.357 1.00 0.00 H new ATOM 0 HD1 HIS A 46 1.600 -6.214 1.027 1.00 0.00 H new ATOM 0 HD2 HIS A 46 2.379 -3.234 3.892 1.00 0.00 H new ATOM 0 HE1 HIS A 46 3.011 -4.412 -0.113 1.00 0.00 H new ATOM 712 N GLN A 47 -1.754 -6.454 2.238 1.00 0.00 N ATOM 713 CA GLN A 47 -2.489 -6.597 0.986 1.00 0.00 C ATOM 714 C GLN A 47 -3.688 -5.656 0.961 1.00 0.00 C ATOM 715 O GLN A 47 -4.012 -5.079 -0.078 1.00 0.00 O ATOM 716 CB GLN A 47 -2.969 -8.041 0.813 1.00 0.00 C ATOM 717 CG GLN A 47 -1.793 -8.943 0.420 1.00 0.00 C ATOM 718 CD GLN A 47 -0.531 -8.544 1.179 1.00 0.00 C ATOM 719 OE1 GLN A 47 -0.014 -7.443 0.995 1.00 0.00 O ATOM 720 NE2 GLN A 47 0.003 -9.385 2.021 1.00 0.00 N ATOM 0 H GLN A 47 -1.686 -7.306 2.794 1.00 0.00 H new ATOM 0 HA GLN A 47 -1.818 -6.341 0.166 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -3.417 -8.397 1.741 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -3.744 -8.086 0.047 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -2.039 -9.983 0.634 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -1.616 -8.871 -0.653 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -0.427 -10.297 2.172 1.00 0.00 H new ATOM 0 HE22 GLN A 47 0.851 -9.130 2.528 1.00 0.00 H new ATOM 729 N LYS A 48 -4.343 -5.501 2.108 1.00 0.00 N ATOM 730 CA LYS A 48 -5.502 -4.621 2.191 1.00 0.00 C ATOM 731 C LYS A 48 -5.104 -3.188 1.854 1.00 0.00 C ATOM 732 O LYS A 48 -5.739 -2.534 1.027 1.00 0.00 O ATOM 733 CB LYS A 48 -6.099 -4.670 3.599 1.00 0.00 C ATOM 734 CG LYS A 48 -7.387 -3.846 3.638 1.00 0.00 C ATOM 735 CD LYS A 48 -7.949 -3.841 5.060 1.00 0.00 C ATOM 736 CE LYS A 48 -9.309 -3.140 5.071 1.00 0.00 C ATOM 737 NZ LYS A 48 -9.151 -1.740 4.588 1.00 0.00 N ATOM 0 H LYS A 48 -4.095 -5.967 2.981 1.00 0.00 H new ATOM 0 HA LYS A 48 -6.247 -4.961 1.472 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.307 -5.702 3.881 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.383 -4.280 4.322 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.188 -2.825 3.311 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -8.120 -4.265 2.948 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -8.052 -4.863 5.425 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.260 -3.330 5.733 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -10.012 -3.678 4.435 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -9.724 -3.143 6.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -10.008 -1.196 4.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -8.330 -1.303 5.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -9.005 -1.742 3.558 1.00 0.00 H new ATOM 751 N ASP A 49 -4.041 -2.711 2.495 1.00 0.00 N ATOM 752 CA ASP A 49 -3.559 -1.357 2.250 1.00 0.00 C ATOM 753 C ASP A 49 -2.982 -1.244 0.842 1.00 0.00 C ATOM 754 O ASP A 49 -3.211 -0.258 0.142 1.00 0.00 O ATOM 755 CB ASP A 49 -2.485 -0.991 3.276 1.00 0.00 C ATOM 756 CG ASP A 49 -3.097 -0.928 4.671 1.00 0.00 C ATOM 757 OD1 ASP A 49 -4.314 -0.911 4.762 1.00 0.00 O ATOM 758 OD2 ASP A 49 -2.342 -0.898 5.628 1.00 0.00 O ATOM 0 H ASP A 49 -3.501 -3.237 3.182 1.00 0.00 H new ATOM 0 HA ASP A 49 -4.398 -0.668 2.344 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -1.683 -1.729 3.255 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -2.040 -0.029 3.021 1.00 0.00 H new ATOM 763 N PHE A 50 -2.230 -2.264 0.439 1.00 0.00 N ATOM 764 CA PHE A 50 -1.620 -2.279 -0.884 1.00 0.00 C ATOM 765 C PHE A 50 -2.689 -2.292 -1.972 1.00 0.00 C ATOM 766 O PHE A 50 -2.611 -1.539 -2.942 1.00 0.00 O ATOM 767 CB PHE A 50 -0.727 -3.514 -1.028 1.00 0.00 C ATOM 768 CG PHE A 50 0.007 -3.459 -2.347 1.00 0.00 C ATOM 769 CD1 PHE A 50 1.218 -2.763 -2.447 1.00 0.00 C ATOM 770 CD2 PHE A 50 -0.524 -4.106 -3.470 1.00 0.00 C ATOM 771 CE1 PHE A 50 1.897 -2.714 -3.669 1.00 0.00 C ATOM 772 CE2 PHE A 50 0.157 -4.057 -4.692 1.00 0.00 C ATOM 773 CZ PHE A 50 1.368 -3.361 -4.792 1.00 0.00 C ATOM 0 H PHE A 50 -2.030 -3.087 1.008 1.00 0.00 H new ATOM 0 HA PHE A 50 -1.019 -1.377 -0.997 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -0.014 -3.557 -0.205 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.331 -4.420 -0.974 1.00 0.00 H new ATOM 0 HD1 PHE A 50 1.628 -2.264 -1.581 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -1.458 -4.642 -3.393 1.00 0.00 H new ATOM 0 HE1 PHE A 50 2.830 -2.176 -3.746 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -0.252 -4.556 -5.558 1.00 0.00 H new ATOM 0 HZ PHE A 50 1.893 -3.323 -5.735 1.00 0.00 H new ATOM 783 N MET A 51 -3.684 -3.156 -1.802 1.00 0.00 N ATOM 784 CA MET A 51 -4.764 -3.266 -2.776 1.00 0.00 C ATOM 785 C MET A 51 -5.517 -1.944 -2.899 1.00 0.00 C ATOM 786 O MET A 51 -5.880 -1.526 -3.999 1.00 0.00 O ATOM 787 CB MET A 51 -5.732 -4.372 -2.351 1.00 0.00 C ATOM 788 CG MET A 51 -6.778 -4.588 -3.445 1.00 0.00 C ATOM 789 SD MET A 51 -7.981 -5.823 -2.891 1.00 0.00 S ATOM 790 CE MET A 51 -8.899 -5.959 -4.444 1.00 0.00 C ATOM 0 H MET A 51 -3.765 -3.787 -1.004 1.00 0.00 H new ATOM 0 HA MET A 51 -4.332 -3.511 -3.746 1.00 0.00 H new ATOM 0 HB2 MET A 51 -5.185 -5.297 -2.169 1.00 0.00 H new ATOM 0 HB3 MET A 51 -6.221 -4.101 -1.415 1.00 0.00 H new ATOM 0 HG2 MET A 51 -7.283 -3.649 -3.672 1.00 0.00 H new ATOM 0 HG3 MET A 51 -6.296 -4.921 -4.364 1.00 0.00 H new ATOM 0 HE1 MET A 51 -9.706 -6.683 -4.328 1.00 0.00 H new ATOM 0 HE2 MET A 51 -9.318 -4.987 -4.705 1.00 0.00 H new ATOM 0 HE3 MET A 51 -8.227 -6.289 -5.236 1.00 0.00 H new ATOM 800 N THR A 52 -5.748 -1.292 -1.764 1.00 0.00 N ATOM 801 CA THR A 52 -6.459 -0.018 -1.755 1.00 0.00 C ATOM 802 C THR A 52 -5.673 1.043 -2.522 1.00 0.00 C ATOM 803 O THR A 52 -6.253 1.877 -3.219 1.00 0.00 O ATOM 804 CB THR A 52 -6.675 0.446 -0.311 1.00 0.00 C ATOM 805 OG1 THR A 52 -7.278 -0.602 0.435 1.00 0.00 O ATOM 806 CG2 THR A 52 -7.589 1.673 -0.294 1.00 0.00 C ATOM 0 H THR A 52 -5.456 -1.622 -0.844 1.00 0.00 H new ATOM 0 HA THR A 52 -7.424 -0.158 -2.242 1.00 0.00 H new ATOM 0 HB THR A 52 -5.714 0.706 0.132 1.00 0.00 H new ATOM 0 HG1 THR A 52 -6.581 -1.146 0.857 1.00 0.00 H new ATOM 0 HG21 THR A 52 -7.740 2.000 0.735 1.00 0.00 H new ATOM 0 HG22 THR A 52 -7.128 2.478 -0.867 1.00 0.00 H new ATOM 0 HG23 THR A 52 -8.551 1.416 -0.738 1.00 0.00 H new ATOM 814 N TYR A 53 -4.353 1.007 -2.380 1.00 0.00 N ATOM 815 CA TYR A 53 -3.488 1.971 -3.053 1.00 0.00 C ATOM 816 C TYR A 53 -3.691 1.928 -4.567 1.00 0.00 C ATOM 817 O TYR A 53 -3.651 2.960 -5.236 1.00 0.00 O ATOM 818 CB TYR A 53 -2.024 1.671 -2.725 1.00 0.00 C ATOM 819 CG TYR A 53 -1.141 2.729 -3.340 1.00 0.00 C ATOM 820 CD1 TYR A 53 -0.898 3.925 -2.654 1.00 0.00 C ATOM 821 CD2 TYR A 53 -0.562 2.514 -4.596 1.00 0.00 C ATOM 822 CE1 TYR A 53 -0.079 4.906 -3.224 1.00 0.00 C ATOM 823 CE2 TYR A 53 0.258 3.495 -5.167 1.00 0.00 C ATOM 824 CZ TYR A 53 0.500 4.690 -4.481 1.00 0.00 C ATOM 825 OH TYR A 53 1.309 5.658 -5.042 1.00 0.00 O ATOM 0 H TYR A 53 -3.859 0.323 -1.807 1.00 0.00 H new ATOM 0 HA TYR A 53 -3.749 2.968 -2.698 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -1.880 1.646 -1.645 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -1.750 0.687 -3.106 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -1.343 4.091 -1.684 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -0.748 1.591 -5.125 1.00 0.00 H new ATOM 0 HE1 TYR A 53 0.107 5.829 -2.695 1.00 0.00 H new ATOM 0 HE2 TYR A 53 0.704 3.329 -6.137 1.00 0.00 H new ATOM 0 HH TYR A 53 1.631 5.350 -5.915 1.00 0.00 H new ATOM 835 N ALA A 54 -3.899 0.729 -5.101 1.00 0.00 N ATOM 836 CA ALA A 54 -4.095 0.567 -6.538 1.00 0.00 C ATOM 837 C ALA A 54 -5.289 1.385 -7.022 1.00 0.00 C ATOM 838 O ALA A 54 -5.311 1.848 -8.162 1.00 0.00 O ATOM 839 CB ALA A 54 -4.318 -0.909 -6.870 1.00 0.00 C ATOM 0 H ALA A 54 -3.936 -0.139 -4.566 1.00 0.00 H new ATOM 0 HA ALA A 54 -3.200 0.926 -7.046 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -4.464 -1.022 -7.944 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -3.448 -1.487 -6.559 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -5.201 -1.271 -6.344 1.00 0.00 H new ATOM 845 N PHE A 55 -6.280 1.559 -6.154 1.00 0.00 N ATOM 846 CA PHE A 55 -7.469 2.324 -6.515 1.00 0.00 C ATOM 847 C PHE A 55 -7.222 3.822 -6.358 1.00 0.00 C ATOM 848 O PHE A 55 -8.116 4.635 -6.594 1.00 0.00 O ATOM 849 CB PHE A 55 -8.653 1.903 -5.642 1.00 0.00 C ATOM 850 CG PHE A 55 -9.106 0.520 -6.042 1.00 0.00 C ATOM 851 CD1 PHE A 55 -9.985 0.358 -7.120 1.00 0.00 C ATOM 852 CD2 PHE A 55 -8.649 -0.601 -5.337 1.00 0.00 C ATOM 853 CE1 PHE A 55 -10.406 -0.923 -7.495 1.00 0.00 C ATOM 854 CE2 PHE A 55 -9.072 -1.883 -5.713 1.00 0.00 C ATOM 855 CZ PHE A 55 -9.950 -2.043 -6.791 1.00 0.00 C ATOM 0 H PHE A 55 -6.285 1.185 -5.205 1.00 0.00 H new ATOM 0 HA PHE A 55 -7.699 2.117 -7.560 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -8.365 1.913 -4.591 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -9.473 2.613 -5.755 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -10.338 1.222 -7.663 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -7.972 -0.477 -4.505 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -11.083 -1.047 -8.328 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -8.720 -2.748 -5.171 1.00 0.00 H new ATOM 0 HZ PHE A 55 -10.276 -3.031 -7.080 1.00 0.00 H new ATOM 865 N GLY A 56 -6.004 4.183 -5.965 1.00 0.00 N ATOM 866 CA GLY A 56 -5.656 5.589 -5.790 1.00 0.00 C ATOM 867 C GLY A 56 -5.932 6.052 -4.363 1.00 0.00 C ATOM 868 O GLY A 56 -5.918 7.249 -4.077 1.00 0.00 O ATOM 0 H GLY A 56 -5.248 3.529 -5.763 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -4.602 5.738 -6.026 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -6.228 6.198 -6.490 1.00 0.00 H new ATOM 872 N GLY A 57 -6.180 5.098 -3.471 1.00 0.00 N ATOM 873 CA GLY A 57 -6.455 5.424 -2.077 1.00 0.00 C ATOM 874 C GLY A 57 -5.196 5.927 -1.378 1.00 0.00 C ATOM 875 O GLY A 57 -4.868 5.487 -0.276 1.00 0.00 O ATOM 0 H GLY A 57 -6.196 4.101 -3.686 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -7.234 6.185 -2.024 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -6.835 4.542 -1.561 1.00 0.00 H new ATOM 879 N THR A 58 -4.491 6.847 -2.029 1.00 0.00 N ATOM 880 CA THR A 58 -3.265 7.400 -1.465 1.00 0.00 C ATOM 881 C THR A 58 -3.562 8.199 -0.200 1.00 0.00 C ATOM 882 O THR A 58 -2.730 8.276 0.702 1.00 0.00 O ATOM 883 CB THR A 58 -2.579 8.307 -2.490 1.00 0.00 C ATOM 884 OG1 THR A 58 -3.406 9.433 -2.750 1.00 0.00 O ATOM 885 CG2 THR A 58 -2.348 7.531 -3.787 1.00 0.00 C ATOM 0 H THR A 58 -4.746 7.223 -2.942 1.00 0.00 H new ATOM 0 HA THR A 58 -2.605 6.571 -1.210 1.00 0.00 H new ATOM 0 HB THR A 58 -1.620 8.643 -2.095 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.968 10.016 -3.405 1.00 0.00 H new ATOM 0 HG21 THR A 58 -1.860 8.178 -4.516 1.00 0.00 H new ATOM 0 HG22 THR A 58 -1.714 6.667 -3.586 1.00 0.00 H new ATOM 0 HG23 THR A 58 -3.305 7.194 -4.185 1.00 0.00 H new ATOM 893 N ASP A 59 -4.752 8.789 -0.140 1.00 0.00 N ATOM 894 CA ASP A 59 -5.147 9.580 1.021 1.00 0.00 C ATOM 895 C ASP A 59 -3.943 10.309 1.611 1.00 0.00 C ATOM 896 O ASP A 59 -3.548 11.370 1.128 1.00 0.00 O ATOM 897 CB ASP A 59 -5.762 8.671 2.087 1.00 0.00 C ATOM 898 CG ASP A 59 -7.075 8.086 1.579 1.00 0.00 C ATOM 899 OD1 ASP A 59 -7.573 8.576 0.579 1.00 0.00 O ATOM 900 OD2 ASP A 59 -7.564 7.154 2.197 1.00 0.00 O ATOM 0 H ASP A 59 -5.456 8.735 -0.876 1.00 0.00 H new ATOM 0 HA ASP A 59 -5.883 10.317 0.699 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -5.069 7.868 2.336 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -5.936 9.236 3.002 1.00 0.00 H new ATOM 905 N ARG A 60 -3.359 9.728 2.654 1.00 0.00 N ATOM 906 CA ARG A 60 -2.197 10.326 3.300 1.00 0.00 C ATOM 907 C ARG A 60 -1.005 9.375 3.243 1.00 0.00 C ATOM 908 O ARG A 60 0.060 9.666 3.787 1.00 0.00 O ATOM 909 CB ARG A 60 -2.517 10.648 4.760 1.00 0.00 C ATOM 910 CG ARG A 60 -2.699 9.344 5.539 1.00 0.00 C ATOM 911 CD ARG A 60 -3.227 9.651 6.941 1.00 0.00 C ATOM 912 NE ARG A 60 -3.238 8.437 7.750 1.00 0.00 N ATOM 913 CZ ARG A 60 -3.717 8.441 8.989 1.00 0.00 C ATOM 914 NH1 ARG A 60 -4.197 9.542 9.499 1.00 0.00 N ATOM 915 NH2 ARG A 60 -3.710 7.343 9.695 1.00 0.00 N ATOM 0 H ARG A 60 -3.669 8.849 3.068 1.00 0.00 H new ATOM 0 HA ARG A 60 -1.945 11.245 2.770 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -1.712 11.238 5.199 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -3.423 11.251 4.821 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -3.394 8.689 5.013 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -1.749 8.813 5.606 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -2.602 10.408 7.416 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -4.234 10.063 6.877 1.00 0.00 H new ATOM 0 HE ARG A 60 -2.871 7.570 7.357 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -4.204 10.399 8.946 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -4.565 9.545 10.450 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -3.337 6.482 9.295 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -4.078 7.346 10.646 1.00 0.00 H new ATOM 929 N PHE A 61 -1.195 8.235 2.585 1.00 0.00 N ATOM 930 CA PHE A 61 -0.132 7.243 2.468 1.00 0.00 C ATOM 931 C PHE A 61 1.238 7.912 2.335 1.00 0.00 C ATOM 932 O PHE A 61 2.102 7.725 3.192 1.00 0.00 O ATOM 933 CB PHE A 61 -0.394 6.333 1.265 1.00 0.00 C ATOM 934 CG PHE A 61 -1.211 5.143 1.706 1.00 0.00 C ATOM 935 CD1 PHE A 61 -2.556 5.310 2.054 1.00 0.00 C ATOM 936 CD2 PHE A 61 -0.625 3.874 1.766 1.00 0.00 C ATOM 937 CE1 PHE A 61 -3.315 4.208 2.463 1.00 0.00 C ATOM 938 CE2 PHE A 61 -1.385 2.771 2.175 1.00 0.00 C ATOM 939 CZ PHE A 61 -2.730 2.938 2.524 1.00 0.00 C ATOM 0 H PHE A 61 -2.069 7.977 2.128 1.00 0.00 H new ATOM 0 HA PHE A 61 -0.127 6.643 3.378 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -0.923 6.883 0.487 1.00 0.00 H new ATOM 0 HB3 PHE A 61 0.550 6.000 0.834 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -3.008 6.290 2.007 1.00 0.00 H new ATOM 0 HD2 PHE A 61 0.413 3.745 1.497 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -4.353 4.337 2.732 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -0.933 1.791 2.221 1.00 0.00 H new ATOM 0 HZ PHE A 61 -3.316 2.088 2.840 1.00 0.00 H new ATOM 949 N PRO A 62 1.459 8.689 1.301 1.00 0.00 N ATOM 950 CA PRO A 62 2.751 9.386 1.095 1.00 0.00 C ATOM 951 C PRO A 62 3.373 9.839 2.413 1.00 0.00 C ATOM 952 O PRO A 62 2.670 10.286 3.320 1.00 0.00 O ATOM 953 CB PRO A 62 2.381 10.594 0.227 1.00 0.00 C ATOM 954 CG PRO A 62 1.047 10.292 -0.392 1.00 0.00 C ATOM 955 CD PRO A 62 0.522 8.983 0.211 1.00 0.00 C ATOM 0 HA PRO A 62 3.496 8.737 0.634 1.00 0.00 H new ATOM 0 HB2 PRO A 62 2.331 11.501 0.829 1.00 0.00 H new ATOM 0 HB3 PRO A 62 3.135 10.763 -0.542 1.00 0.00 H new ATOM 0 HG2 PRO A 62 0.347 11.106 -0.201 1.00 0.00 H new ATOM 0 HG3 PRO A 62 1.142 10.200 -1.474 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -0.497 9.095 0.581 1.00 0.00 H new ATOM 0 HD3 PRO A 62 0.506 8.182 -0.528 1.00 0.00 H new ATOM 963 N GLY A 63 4.692 9.718 2.512 1.00 0.00 N ATOM 964 CA GLY A 63 5.397 10.117 3.724 1.00 0.00 C ATOM 965 C GLY A 63 6.766 9.450 3.801 1.00 0.00 C ATOM 966 O GLY A 63 6.910 8.265 3.502 1.00 0.00 O ATOM 0 H GLY A 63 5.291 9.350 1.773 1.00 0.00 H new ATOM 0 HA2 GLY A 63 5.514 11.201 3.741 1.00 0.00 H new ATOM 0 HA3 GLY A 63 4.806 9.846 4.599 1.00 0.00 H new ATOM 970 N ARG A 64 7.770 10.222 4.205 1.00 0.00 N ATOM 971 CA ARG A 64 9.127 9.702 4.322 1.00 0.00 C ATOM 972 C ARG A 64 9.163 8.490 5.249 1.00 0.00 C ATOM 973 O ARG A 64 9.943 7.560 5.041 1.00 0.00 O ATOM 974 CB ARG A 64 10.055 10.792 4.863 1.00 0.00 C ATOM 975 CG ARG A 64 11.497 10.283 4.864 1.00 0.00 C ATOM 976 CD ARG A 64 12.409 11.338 5.492 1.00 0.00 C ATOM 977 NE ARG A 64 12.350 12.577 4.725 1.00 0.00 N ATOM 978 CZ ARG A 64 12.904 12.668 3.521 1.00 0.00 C ATOM 979 NH1 ARG A 64 13.517 11.639 3.004 1.00 0.00 N ATOM 980 NH2 ARG A 64 12.835 13.788 2.854 1.00 0.00 N ATOM 0 H ARG A 64 7.670 11.206 4.456 1.00 0.00 H new ATOM 0 HA ARG A 64 9.465 9.393 3.333 1.00 0.00 H new ATOM 0 HB2 ARG A 64 9.976 11.689 4.249 1.00 0.00 H new ATOM 0 HB3 ARG A 64 9.756 11.070 5.874 1.00 0.00 H new ATOM 0 HG2 ARG A 64 11.564 9.350 5.423 1.00 0.00 H new ATOM 0 HG3 ARG A 64 11.819 10.068 3.845 1.00 0.00 H new ATOM 0 HD2 ARG A 64 12.105 11.525 6.522 1.00 0.00 H new ATOM 0 HD3 ARG A 64 13.435 10.970 5.524 1.00 0.00 H new ATOM 0 HE ARG A 64 11.875 13.388 5.120 1.00 0.00 H new ATOM 0 HH11 ARG A 64 13.571 10.763 3.524 1.00 0.00 H new ATOM 0 HH12 ARG A 64 13.942 11.710 2.079 1.00 0.00 H new ATOM 0 HH21 ARG A 64 12.356 14.593 3.257 1.00 0.00 H new ATOM 0 HH22 ARG A 64 13.260 13.858 1.930 1.00 0.00 H new ATOM 994 N SER A 65 8.319 8.511 6.274 1.00 0.00 N ATOM 995 CA SER A 65 8.262 7.414 7.234 1.00 0.00 C ATOM 996 C SER A 65 8.043 6.080 6.524 1.00 0.00 C ATOM 997 O SER A 65 8.521 5.042 6.979 1.00 0.00 O ATOM 998 CB SER A 65 7.129 7.655 8.230 1.00 0.00 C ATOM 999 OG SER A 65 7.304 8.927 8.841 1.00 0.00 O ATOM 0 H SER A 65 7.667 9.272 6.462 1.00 0.00 H new ATOM 0 HA SER A 65 9.214 7.373 7.764 1.00 0.00 H new ATOM 0 HB2 SER A 65 6.166 7.613 7.721 1.00 0.00 H new ATOM 0 HB3 SER A 65 7.123 6.872 8.988 1.00 0.00 H new ATOM 0 HG SER A 65 6.578 9.086 9.480 1.00 0.00 H new ATOM 1005 N MET A 66 7.316 6.113 5.412 1.00 0.00 N ATOM 1006 CA MET A 66 7.043 4.893 4.659 1.00 0.00 C ATOM 1007 C MET A 66 8.345 4.191 4.284 1.00 0.00 C ATOM 1008 O MET A 66 8.428 2.963 4.308 1.00 0.00 O ATOM 1009 CB MET A 66 6.260 5.230 3.388 1.00 0.00 C ATOM 1010 CG MET A 66 4.863 5.728 3.762 1.00 0.00 C ATOM 1011 SD MET A 66 3.914 4.372 4.494 1.00 0.00 S ATOM 1012 CE MET A 66 3.333 5.265 5.956 1.00 0.00 C ATOM 0 H MET A 66 6.909 6.960 5.015 1.00 0.00 H new ATOM 0 HA MET A 66 6.451 4.226 5.286 1.00 0.00 H new ATOM 0 HB2 MET A 66 6.788 5.993 2.815 1.00 0.00 H new ATOM 0 HB3 MET A 66 6.184 4.349 2.751 1.00 0.00 H new ATOM 0 HG2 MET A 66 4.937 6.556 4.467 1.00 0.00 H new ATOM 0 HG3 MET A 66 4.352 6.108 2.877 1.00 0.00 H new ATOM 0 HE1 MET A 66 2.715 4.604 6.564 1.00 0.00 H new ATOM 0 HE2 MET A 66 4.189 5.601 6.541 1.00 0.00 H new ATOM 0 HE3 MET A 66 2.745 6.128 5.645 1.00 0.00 H new ATOM 1022 N ARG A 67 9.361 4.976 3.942 1.00 0.00 N ATOM 1023 CA ARG A 67 10.654 4.415 3.568 1.00 0.00 C ATOM 1024 C ARG A 67 11.251 3.624 4.729 1.00 0.00 C ATOM 1025 O ARG A 67 11.884 2.589 4.528 1.00 0.00 O ATOM 1026 CB ARG A 67 11.613 5.536 3.163 1.00 0.00 C ATOM 1027 CG ARG A 67 11.074 6.240 1.916 1.00 0.00 C ATOM 1028 CD ARG A 67 12.078 7.295 1.449 1.00 0.00 C ATOM 1029 NE ARG A 67 11.495 8.112 0.390 1.00 0.00 N ATOM 1030 CZ ARG A 67 11.947 9.336 0.139 1.00 0.00 C ATOM 1031 NH1 ARG A 67 12.930 9.826 0.844 1.00 0.00 N ATOM 1032 NH2 ARG A 67 11.409 10.048 -0.813 1.00 0.00 N ATOM 0 H ARG A 67 9.315 5.995 3.916 1.00 0.00 H new ATOM 0 HA ARG A 67 10.507 3.742 2.723 1.00 0.00 H new ATOM 0 HB2 ARG A 67 11.721 6.250 3.979 1.00 0.00 H new ATOM 0 HB3 ARG A 67 12.604 5.128 2.964 1.00 0.00 H new ATOM 0 HG2 ARG A 67 10.899 5.513 1.123 1.00 0.00 H new ATOM 0 HG3 ARG A 67 10.115 6.708 2.136 1.00 0.00 H new ATOM 0 HD2 ARG A 67 12.369 7.927 2.288 1.00 0.00 H new ATOM 0 HD3 ARG A 67 12.984 6.810 1.087 1.00 0.00 H new ATOM 0 HE ARG A 67 10.727 7.737 -0.167 1.00 0.00 H new ATOM 0 HH11 ARG A 67 13.351 9.269 1.588 1.00 0.00 H new ATOM 0 HH12 ARG A 67 13.277 10.766 0.651 1.00 0.00 H new ATOM 0 HH21 ARG A 67 10.641 9.665 -1.365 1.00 0.00 H new ATOM 0 HH22 ARG A 67 11.756 10.988 -1.005 1.00 0.00 H new ATOM 1046 N ALA A 68 11.044 4.122 5.945 1.00 0.00 N ATOM 1047 CA ALA A 68 11.569 3.457 7.133 1.00 0.00 C ATOM 1048 C ALA A 68 10.908 2.096 7.327 1.00 0.00 C ATOM 1049 O ALA A 68 11.540 1.151 7.801 1.00 0.00 O ATOM 1050 CB ALA A 68 11.323 4.325 8.368 1.00 0.00 C ATOM 0 H ALA A 68 10.521 4.977 6.133 1.00 0.00 H new ATOM 0 HA ALA A 68 12.640 3.310 6.998 1.00 0.00 H new ATOM 0 HB1 ALA A 68 11.718 3.822 9.251 1.00 0.00 H new ATOM 0 HB2 ALA A 68 11.824 5.285 8.243 1.00 0.00 H new ATOM 0 HB3 ALA A 68 10.252 4.487 8.491 1.00 0.00 H new ATOM 1056 N ALA A 69 9.633 2.001 6.963 1.00 0.00 N ATOM 1057 CA ALA A 69 8.899 0.749 7.109 1.00 0.00 C ATOM 1058 C ALA A 69 9.521 -0.346 6.249 1.00 0.00 C ATOM 1059 O ALA A 69 9.587 -1.506 6.657 1.00 0.00 O ATOM 1060 CB ALA A 69 7.439 0.951 6.701 1.00 0.00 C ATOM 0 H ALA A 69 9.090 2.769 6.568 1.00 0.00 H new ATOM 0 HA ALA A 69 8.948 0.443 8.154 1.00 0.00 H new ATOM 0 HB1 ALA A 69 6.897 0.012 6.812 1.00 0.00 H new ATOM 0 HB2 ALA A 69 6.985 1.710 7.338 1.00 0.00 H new ATOM 0 HB3 ALA A 69 7.393 1.275 5.661 1.00 0.00 H new ATOM 1066 N HIS A 70 9.974 0.026 5.056 1.00 0.00 N ATOM 1067 CA HIS A 70 10.585 -0.938 4.149 1.00 0.00 C ATOM 1068 C HIS A 70 12.097 -0.986 4.349 1.00 0.00 C ATOM 1069 O HIS A 70 12.758 -1.935 3.926 1.00 0.00 O ATOM 1070 CB HIS A 70 10.273 -0.559 2.700 1.00 0.00 C ATOM 1071 CG HIS A 70 8.786 -0.591 2.480 1.00 0.00 C ATOM 1072 ND1 HIS A 70 8.008 0.555 2.528 1.00 0.00 N ATOM 1073 CD2 HIS A 70 7.920 -1.621 2.207 1.00 0.00 C ATOM 1074 CE1 HIS A 70 6.734 0.191 2.289 1.00 0.00 C ATOM 1075 NE2 HIS A 70 6.624 -1.125 2.086 1.00 0.00 N ATOM 0 H HIS A 70 9.930 0.980 4.697 1.00 0.00 H new ATOM 0 HA HIS A 70 10.172 -1.923 4.367 1.00 0.00 H new ATOM 0 HB2 HIS A 70 10.662 0.436 2.482 1.00 0.00 H new ATOM 0 HB3 HIS A 70 10.767 -1.251 2.018 1.00 0.00 H new ATOM 0 HD1 HIS A 70 8.340 1.502 2.711 1.00 0.00 H new ATOM 0 HD2 HIS A 70 8.201 -2.658 2.102 1.00 0.00 H new ATOM 0 HE1 HIS A 70 5.902 0.879 2.264 1.00 0.00 H new ATOM 1083 N GLN A 71 12.638 0.043 4.991 1.00 0.00 N ATOM 1084 CA GLN A 71 14.074 0.108 5.237 1.00 0.00 C ATOM 1085 C GLN A 71 14.539 -1.095 6.052 1.00 0.00 C ATOM 1086 O GLN A 71 15.623 -1.630 5.821 1.00 0.00 O ATOM 1087 CB GLN A 71 14.417 1.398 5.983 1.00 0.00 C ATOM 1088 CG GLN A 71 15.937 1.569 6.036 1.00 0.00 C ATOM 1089 CD GLN A 71 16.290 2.878 6.734 1.00 0.00 C ATOM 1090 OE1 GLN A 71 15.404 3.674 7.045 1.00 0.00 O ATOM 1091 NE2 GLN A 71 17.539 3.151 6.997 1.00 0.00 N ATOM 0 H GLN A 71 12.109 0.838 5.348 1.00 0.00 H new ATOM 0 HA GLN A 71 14.587 0.096 4.275 1.00 0.00 H new ATOM 0 HB2 GLN A 71 13.962 2.252 5.482 1.00 0.00 H new ATOM 0 HB3 GLN A 71 14.009 1.366 6.993 1.00 0.00 H new ATOM 0 HG2 GLN A 71 16.387 0.731 6.568 1.00 0.00 H new ATOM 0 HG3 GLN A 71 16.347 1.563 5.026 1.00 0.00 H new ATOM 0 HE21 GLN A 71 18.271 2.490 6.738 1.00 0.00 H new ATOM 0 HE22 GLN A 71 17.783 4.026 7.461 1.00 0.00 H new ATOM 1100 N ASP A 72 13.716 -1.514 7.007 1.00 0.00 N ATOM 1101 CA ASP A 72 14.060 -2.654 7.850 1.00 0.00 C ATOM 1102 C ASP A 72 14.300 -3.899 7.002 1.00 0.00 C ATOM 1103 O ASP A 72 15.212 -4.679 7.274 1.00 0.00 O ATOM 1104 CB ASP A 72 12.932 -2.927 8.847 1.00 0.00 C ATOM 1105 CG ASP A 72 12.824 -1.776 9.842 1.00 0.00 C ATOM 1106 OD1 ASP A 72 13.733 -0.963 9.879 1.00 0.00 O ATOM 1107 OD2 ASP A 72 11.833 -1.723 10.551 1.00 0.00 O ATOM 0 H ASP A 72 12.814 -1.086 7.216 1.00 0.00 H new ATOM 0 HA ASP A 72 14.975 -2.415 8.391 1.00 0.00 H new ATOM 0 HB2 ASP A 72 11.988 -3.049 8.316 1.00 0.00 H new ATOM 0 HB3 ASP A 72 13.122 -3.860 9.377 1.00 0.00 H new ATOM 1112 N LEU A 73 13.476 -4.079 5.975 1.00 0.00 N ATOM 1113 CA LEU A 73 13.611 -5.236 5.096 1.00 0.00 C ATOM 1114 C LEU A 73 14.965 -5.218 4.393 1.00 0.00 C ATOM 1115 O LEU A 73 15.587 -6.261 4.196 1.00 0.00 O ATOM 1116 CB LEU A 73 12.493 -5.231 4.051 1.00 0.00 C ATOM 1117 CG LEU A 73 11.132 -5.214 4.749 1.00 0.00 C ATOM 1118 CD1 LEU A 73 10.021 -5.255 3.700 1.00 0.00 C ATOM 1119 CD2 LEU A 73 11.010 -6.436 5.664 1.00 0.00 C ATOM 0 H LEU A 73 12.714 -3.445 5.732 1.00 0.00 H new ATOM 0 HA LEU A 73 13.539 -6.140 5.701 1.00 0.00 H new ATOM 0 HB2 LEU A 73 12.591 -4.359 3.404 1.00 0.00 H new ATOM 0 HB3 LEU A 73 12.574 -6.112 3.414 1.00 0.00 H new ATOM 0 HG LEU A 73 11.041 -4.304 5.342 1.00 0.00 H new ATOM 0 HD11 LEU A 73 9.051 -5.243 4.197 1.00 0.00 H new ATOM 0 HD12 LEU A 73 10.105 -4.386 3.047 1.00 0.00 H new ATOM 0 HD13 LEU A 73 10.114 -6.165 3.107 1.00 0.00 H new ATOM 0 HD21 LEU A 73 10.040 -6.423 6.161 1.00 0.00 H new ATOM 0 HD22 LEU A 73 11.102 -7.346 5.070 1.00 0.00 H new ATOM 0 HD23 LEU A 73 11.802 -6.410 6.413 1.00 0.00 H new ATOM 1131 N VAL A 74 15.411 -4.025 4.017 1.00 0.00 N ATOM 1132 CA VAL A 74 16.692 -3.878 3.333 1.00 0.00 C ATOM 1133 C VAL A 74 17.842 -4.299 4.242 1.00 0.00 C ATOM 1134 O VAL A 74 18.783 -4.961 3.804 1.00 0.00 O ATOM 1135 CB VAL A 74 16.889 -2.425 2.901 1.00 0.00 C ATOM 1136 CG1 VAL A 74 18.309 -2.240 2.365 1.00 0.00 C ATOM 1137 CG2 VAL A 74 15.880 -2.079 1.802 1.00 0.00 C ATOM 0 H VAL A 74 14.909 -3.151 4.172 1.00 0.00 H new ATOM 0 HA VAL A 74 16.686 -4.523 2.454 1.00 0.00 H new ATOM 0 HB VAL A 74 16.735 -1.767 3.757 1.00 0.00 H new ATOM 0 HG11 VAL A 74 18.450 -1.204 2.057 1.00 0.00 H new ATOM 0 HG12 VAL A 74 19.028 -2.487 3.146 1.00 0.00 H new ATOM 0 HG13 VAL A 74 18.463 -2.897 1.509 1.00 0.00 H new ATOM 0 HG21 VAL A 74 16.019 -1.043 1.493 1.00 0.00 H new ATOM 0 HG22 VAL A 74 16.034 -2.737 0.947 1.00 0.00 H new ATOM 0 HG23 VAL A 74 14.867 -2.211 2.183 1.00 0.00 H new ATOM 1147 N GLU A 75 17.764 -3.904 5.509 1.00 0.00 N ATOM 1148 CA GLU A 75 18.808 -4.240 6.471 1.00 0.00 C ATOM 1149 C GLU A 75 18.890 -5.748 6.679 1.00 0.00 C ATOM 1150 O GLU A 75 19.976 -6.300 6.860 1.00 0.00 O ATOM 1151 CB GLU A 75 18.523 -3.554 7.810 1.00 0.00 C ATOM 1152 CG GLU A 75 18.609 -2.036 7.638 1.00 0.00 C ATOM 1153 CD GLU A 75 20.024 -1.633 7.235 1.00 0.00 C ATOM 1154 OE1 GLU A 75 20.925 -2.432 7.430 1.00 0.00 O ATOM 1155 OE2 GLU A 75 20.186 -0.531 6.737 1.00 0.00 O ATOM 0 H GLU A 75 16.994 -3.355 5.892 1.00 0.00 H new ATOM 0 HA GLU A 75 19.762 -3.890 6.076 1.00 0.00 H new ATOM 0 HB2 GLU A 75 17.533 -3.834 8.170 1.00 0.00 H new ATOM 0 HB3 GLU A 75 19.240 -3.886 8.560 1.00 0.00 H new ATOM 0 HG2 GLU A 75 17.899 -1.707 6.879 1.00 0.00 H new ATOM 0 HG3 GLU A 75 18.333 -1.541 8.569 1.00 0.00 H new ATOM 1162 N ASN A 76 17.739 -6.411 6.654 1.00 0.00 N ATOM 1163 CA ASN A 76 17.700 -7.856 6.845 1.00 0.00 C ATOM 1164 C ASN A 76 17.838 -8.582 5.511 1.00 0.00 C ATOM 1165 O ASN A 76 18.784 -9.340 5.300 1.00 0.00 O ATOM 1166 CB ASN A 76 16.385 -8.256 7.513 1.00 0.00 C ATOM 1167 CG ASN A 76 16.292 -7.626 8.899 1.00 0.00 C ATOM 1168 OD1 ASN A 76 17.305 -7.211 9.461 1.00 0.00 O ATOM 1169 ND2 ASN A 76 15.130 -7.529 9.485 1.00 0.00 N ATOM 0 H ASN A 76 16.829 -5.976 6.505 1.00 0.00 H new ATOM 0 HA ASN A 76 18.536 -8.141 7.484 1.00 0.00 H new ATOM 0 HB2 ASN A 76 15.543 -7.933 6.900 1.00 0.00 H new ATOM 0 HB3 ASN A 76 16.323 -9.341 7.593 1.00 0.00 H new ATOM 0 HD21 ASN A 76 15.060 -7.108 10.411 1.00 0.00 H new ATOM 0 HD22 ASN A 76 14.292 -7.874 9.017 1.00 0.00 H new ATOM 1176 N ALA A 77 16.887 -8.343 4.613 1.00 0.00 N ATOM 1177 CA ALA A 77 16.911 -8.980 3.302 1.00 0.00 C ATOM 1178 C ALA A 77 17.212 -7.956 2.212 1.00 0.00 C ATOM 1179 O ALA A 77 16.819 -6.795 2.313 1.00 0.00 O ATOM 1180 CB ALA A 77 15.563 -9.644 3.019 1.00 0.00 C ATOM 0 H ALA A 77 16.096 -7.718 4.768 1.00 0.00 H new ATOM 0 HA ALA A 77 17.697 -9.736 3.302 1.00 0.00 H new ATOM 0 HB1 ALA A 77 15.590 -10.117 2.038 1.00 0.00 H new ATOM 0 HB2 ALA A 77 15.362 -10.398 3.780 1.00 0.00 H new ATOM 0 HB3 ALA A 77 14.775 -8.891 3.037 1.00 0.00 H new ATOM 1186 N GLY A 78 17.907 -8.397 1.168 1.00 0.00 N ATOM 1187 CA GLY A 78 18.247 -7.508 0.064 1.00 0.00 C ATOM 1188 C GLY A 78 17.099 -7.424 -0.935 1.00 0.00 C ATOM 1189 O GLY A 78 16.888 -8.338 -1.732 1.00 0.00 O ATOM 0 H GLY A 78 18.243 -9.355 1.064 1.00 0.00 H new ATOM 0 HA2 GLY A 78 18.474 -6.514 0.448 1.00 0.00 H new ATOM 0 HA3 GLY A 78 19.145 -7.869 -0.437 1.00 0.00 H new ATOM 1193 N LEU A 79 16.357 -6.322 -0.884 1.00 0.00 N ATOM 1194 CA LEU A 79 15.231 -6.130 -1.789 1.00 0.00 C ATOM 1195 C LEU A 79 15.607 -5.160 -2.904 1.00 0.00 C ATOM 1196 O LEU A 79 16.147 -4.084 -2.646 1.00 0.00 O ATOM 1197 CB LEU A 79 14.026 -5.584 -1.015 1.00 0.00 C ATOM 1198 CG LEU A 79 12.787 -5.561 -1.920 1.00 0.00 C ATOM 1199 CD1 LEU A 79 12.147 -6.951 -1.963 1.00 0.00 C ATOM 1200 CD2 LEU A 79 11.775 -4.556 -1.366 1.00 0.00 C ATOM 0 H LEU A 79 16.514 -5.554 -0.231 1.00 0.00 H new ATOM 0 HA LEU A 79 14.971 -7.092 -2.230 1.00 0.00 H new ATOM 0 HB2 LEU A 79 13.835 -6.204 -0.139 1.00 0.00 H new ATOM 0 HB3 LEU A 79 14.241 -4.578 -0.653 1.00 0.00 H new ATOM 0 HG LEU A 79 13.084 -5.271 -2.928 1.00 0.00 H new ATOM 0 HD11 LEU A 79 11.268 -6.927 -2.607 1.00 0.00 H new ATOM 0 HD12 LEU A 79 12.865 -7.670 -2.356 1.00 0.00 H new ATOM 0 HD13 LEU A 79 11.851 -7.247 -0.956 1.00 0.00 H new ATOM 0 HD21 LEU A 79 10.893 -4.537 -2.007 1.00 0.00 H new ATOM 0 HD22 LEU A 79 11.485 -4.850 -0.357 1.00 0.00 H new ATOM 0 HD23 LEU A 79 12.225 -3.564 -1.339 1.00 0.00 H new ATOM 1212 N THR A 80 15.317 -5.546 -4.141 1.00 0.00 N ATOM 1213 CA THR A 80 15.630 -4.699 -5.285 1.00 0.00 C ATOM 1214 C THR A 80 14.366 -4.380 -6.079 1.00 0.00 C ATOM 1215 O THR A 80 13.312 -4.974 -5.854 1.00 0.00 O ATOM 1216 CB THR A 80 16.654 -5.390 -6.188 1.00 0.00 C ATOM 1217 OG1 THR A 80 16.073 -6.549 -6.763 1.00 0.00 O ATOM 1218 CG2 THR A 80 17.880 -5.787 -5.362 1.00 0.00 C ATOM 0 H THR A 80 14.870 -6.432 -4.376 1.00 0.00 H new ATOM 0 HA THR A 80 16.054 -3.765 -4.916 1.00 0.00 H new ATOM 0 HB THR A 80 16.958 -4.706 -6.981 1.00 0.00 H new ATOM 0 HG1 THR A 80 15.288 -6.816 -6.240 1.00 0.00 H new ATOM 0 HG21 THR A 80 18.609 -6.279 -6.006 1.00 0.00 H new ATOM 0 HG22 THR A 80 18.327 -4.895 -4.923 1.00 0.00 H new ATOM 0 HG23 THR A 80 17.578 -6.470 -4.568 1.00 0.00 H new ATOM 1226 N ASP A 81 14.479 -3.428 -6.998 1.00 0.00 N ATOM 1227 CA ASP A 81 13.341 -3.018 -7.815 1.00 0.00 C ATOM 1228 C ASP A 81 12.706 -4.210 -8.527 1.00 0.00 C ATOM 1229 O ASP A 81 11.489 -4.250 -8.713 1.00 0.00 O ATOM 1230 CB ASP A 81 13.790 -1.988 -8.852 1.00 0.00 C ATOM 1231 CG ASP A 81 14.177 -0.685 -8.162 1.00 0.00 C ATOM 1232 OD1 ASP A 81 13.860 -0.540 -6.994 1.00 0.00 O ATOM 1233 OD2 ASP A 81 14.785 0.150 -8.813 1.00 0.00 O ATOM 0 H ASP A 81 15.345 -2.926 -7.196 1.00 0.00 H new ATOM 0 HA ASP A 81 12.596 -2.578 -7.152 1.00 0.00 H new ATOM 0 HB2 ASP A 81 14.638 -2.375 -9.417 1.00 0.00 H new ATOM 0 HB3 ASP A 81 12.987 -1.806 -9.566 1.00 0.00 H new ATOM 1238 N VAL A 82 13.527 -5.171 -8.936 1.00 0.00 N ATOM 1239 CA VAL A 82 13.013 -6.342 -9.639 1.00 0.00 C ATOM 1240 C VAL A 82 11.860 -6.973 -8.864 1.00 0.00 C ATOM 1241 O VAL A 82 10.883 -7.433 -9.455 1.00 0.00 O ATOM 1242 CB VAL A 82 14.128 -7.375 -9.834 1.00 0.00 C ATOM 1243 CG1 VAL A 82 14.332 -8.170 -8.543 1.00 0.00 C ATOM 1244 CG2 VAL A 82 13.738 -8.331 -10.963 1.00 0.00 C ATOM 0 H VAL A 82 14.537 -5.164 -8.796 1.00 0.00 H new ATOM 0 HA VAL A 82 12.647 -6.020 -10.614 1.00 0.00 H new ATOM 0 HB VAL A 82 15.055 -6.861 -10.089 1.00 0.00 H new ATOM 0 HG11 VAL A 82 15.126 -8.903 -8.688 1.00 0.00 H new ATOM 0 HG12 VAL A 82 14.609 -7.490 -7.737 1.00 0.00 H new ATOM 0 HG13 VAL A 82 13.407 -8.684 -8.282 1.00 0.00 H new ATOM 0 HG21 VAL A 82 14.529 -9.068 -11.105 1.00 0.00 H new ATOM 0 HG22 VAL A 82 12.810 -8.840 -10.704 1.00 0.00 H new ATOM 0 HG23 VAL A 82 13.598 -7.767 -11.885 1.00 0.00 H new ATOM 1254 N HIS A 83 11.974 -6.986 -7.539 1.00 0.00 N ATOM 1255 CA HIS A 83 10.927 -7.558 -6.702 1.00 0.00 C ATOM 1256 C HIS A 83 9.601 -6.848 -6.952 1.00 0.00 C ATOM 1257 O HIS A 83 8.558 -7.486 -7.084 1.00 0.00 O ATOM 1258 CB HIS A 83 11.310 -7.429 -5.227 1.00 0.00 C ATOM 1259 CG HIS A 83 12.520 -8.277 -4.948 1.00 0.00 C ATOM 1260 ND1 HIS A 83 13.810 -7.777 -5.032 1.00 0.00 N ATOM 1261 CD2 HIS A 83 12.652 -9.595 -4.586 1.00 0.00 C ATOM 1262 CE1 HIS A 83 14.654 -8.779 -4.726 1.00 0.00 C ATOM 1263 NE2 HIS A 83 14.001 -9.910 -4.446 1.00 0.00 N ATOM 0 H HIS A 83 12.772 -6.611 -7.027 1.00 0.00 H new ATOM 0 HA HIS A 83 10.816 -8.612 -6.955 1.00 0.00 H new ATOM 0 HB2 HIS A 83 11.519 -6.387 -4.984 1.00 0.00 H new ATOM 0 HB3 HIS A 83 10.479 -7.743 -4.595 1.00 0.00 H new ATOM 0 HD2 HIS A 83 11.834 -10.283 -4.433 1.00 0.00 H new ATOM 0 HE1 HIS A 83 15.729 -8.681 -4.709 1.00 0.00 H new ATOM 0 HE2 HIS A 83 14.404 -10.810 -4.186 1.00 0.00 H new ATOM 1271 N PHE A 84 9.654 -5.523 -7.024 1.00 0.00 N ATOM 1272 CA PHE A 84 8.453 -4.731 -7.266 1.00 0.00 C ATOM 1273 C PHE A 84 7.829 -5.114 -8.602 1.00 0.00 C ATOM 1274 O PHE A 84 6.612 -5.255 -8.714 1.00 0.00 O ATOM 1275 CB PHE A 84 8.804 -3.241 -7.271 1.00 0.00 C ATOM 1276 CG PHE A 84 7.541 -2.424 -7.398 1.00 0.00 C ATOM 1277 CD1 PHE A 84 6.802 -2.095 -6.256 1.00 0.00 C ATOM 1278 CD2 PHE A 84 7.110 -1.992 -8.659 1.00 0.00 C ATOM 1279 CE1 PHE A 84 5.632 -1.337 -6.374 1.00 0.00 C ATOM 1280 CE2 PHE A 84 5.940 -1.233 -8.776 1.00 0.00 C ATOM 1281 CZ PHE A 84 5.201 -0.905 -7.634 1.00 0.00 C ATOM 0 H PHE A 84 10.509 -4.977 -6.919 1.00 0.00 H new ATOM 0 HA PHE A 84 7.736 -4.931 -6.470 1.00 0.00 H new ATOM 0 HB2 PHE A 84 9.329 -2.978 -6.353 1.00 0.00 H new ATOM 0 HB3 PHE A 84 9.478 -3.018 -8.098 1.00 0.00 H new ATOM 0 HD1 PHE A 84 7.135 -2.426 -5.283 1.00 0.00 H new ATOM 0 HD2 PHE A 84 7.680 -2.245 -9.541 1.00 0.00 H new ATOM 0 HE1 PHE A 84 5.061 -1.085 -5.493 1.00 0.00 H new ATOM 0 HE2 PHE A 84 5.607 -0.900 -9.748 1.00 0.00 H new ATOM 0 HZ PHE A 84 4.298 -0.319 -7.725 1.00 0.00 H new ATOM 1291 N ASP A 85 8.673 -5.279 -9.615 1.00 0.00 N ATOM 1292 CA ASP A 85 8.197 -5.645 -10.942 1.00 0.00 C ATOM 1293 C ASP A 85 7.480 -6.992 -10.909 1.00 0.00 C ATOM 1294 O ASP A 85 6.493 -7.196 -11.616 1.00 0.00 O ATOM 1295 CB ASP A 85 9.375 -5.719 -11.916 1.00 0.00 C ATOM 1296 CG ASP A 85 8.862 -5.917 -13.339 1.00 0.00 C ATOM 1297 OD1 ASP A 85 8.519 -4.930 -13.968 1.00 0.00 O ATOM 1298 OD2 ASP A 85 8.820 -7.055 -13.779 1.00 0.00 O ATOM 0 H ASP A 85 9.684 -5.166 -9.543 1.00 0.00 H new ATOM 0 HA ASP A 85 7.493 -4.882 -11.275 1.00 0.00 H new ATOM 0 HB2 ASP A 85 9.965 -4.804 -11.857 1.00 0.00 H new ATOM 0 HB3 ASP A 85 10.035 -6.542 -11.640 1.00 0.00 H new ATOM 1303 N ALA A 86 7.987 -7.912 -10.096 1.00 0.00 N ATOM 1304 CA ALA A 86 7.389 -9.239 -9.994 1.00 0.00 C ATOM 1305 C ALA A 86 6.000 -9.170 -9.365 1.00 0.00 C ATOM 1306 O ALA A 86 5.010 -9.557 -9.985 1.00 0.00 O ATOM 1307 CB ALA A 86 8.284 -10.150 -9.152 1.00 0.00 C ATOM 0 H ALA A 86 8.804 -7.766 -9.502 1.00 0.00 H new ATOM 0 HA ALA A 86 7.293 -9.644 -11.001 1.00 0.00 H new ATOM 0 HB1 ALA A 86 7.831 -11.139 -9.080 1.00 0.00 H new ATOM 0 HB2 ALA A 86 9.264 -10.233 -9.622 1.00 0.00 H new ATOM 0 HB3 ALA A 86 8.395 -9.728 -8.153 1.00 0.00 H new ATOM 1313 N ILE A 87 5.933 -8.684 -8.129 1.00 0.00 N ATOM 1314 CA ILE A 87 4.656 -8.580 -7.433 1.00 0.00 C ATOM 1315 C ILE A 87 3.714 -7.625 -8.162 1.00 0.00 C ATOM 1316 O ILE A 87 2.493 -7.746 -8.060 1.00 0.00 O ATOM 1317 CB ILE A 87 4.874 -8.092 -5.998 1.00 0.00 C ATOM 1318 CG1 ILE A 87 3.607 -8.341 -5.175 1.00 0.00 C ATOM 1319 CG2 ILE A 87 5.188 -6.596 -6.005 1.00 0.00 C ATOM 1320 CD1 ILE A 87 3.911 -8.125 -3.691 1.00 0.00 C ATOM 0 H ILE A 87 6.739 -8.359 -7.594 1.00 0.00 H new ATOM 0 HA ILE A 87 4.201 -9.570 -7.413 1.00 0.00 H new ATOM 0 HB ILE A 87 5.709 -8.635 -5.556 1.00 0.00 H new ATOM 0 HG12 ILE A 87 2.813 -7.666 -5.496 1.00 0.00 H new ATOM 0 HG13 ILE A 87 3.248 -9.357 -5.339 1.00 0.00 H new ATOM 0 HG21 ILE A 87 5.343 -6.252 -4.982 1.00 0.00 H new ATOM 0 HG22 ILE A 87 6.091 -6.416 -6.589 1.00 0.00 H new ATOM 0 HG23 ILE A 87 4.355 -6.051 -6.449 1.00 0.00 H new ATOM 0 HD11 ILE A 87 3.009 -8.302 -3.105 1.00 0.00 H new ATOM 0 HD12 ILE A 87 4.691 -8.818 -3.375 1.00 0.00 H new ATOM 0 HD13 ILE A 87 4.250 -7.101 -3.534 1.00 0.00 H new ATOM 1332 N ALA A 88 4.288 -6.675 -8.893 1.00 0.00 N ATOM 1333 CA ALA A 88 3.483 -5.705 -9.630 1.00 0.00 C ATOM 1334 C ALA A 88 2.634 -6.399 -10.692 1.00 0.00 C ATOM 1335 O ALA A 88 1.452 -6.093 -10.851 1.00 0.00 O ATOM 1336 CB ALA A 88 4.394 -4.674 -10.296 1.00 0.00 C ATOM 0 H ALA A 88 5.296 -6.556 -8.991 1.00 0.00 H new ATOM 0 HA ALA A 88 2.818 -5.205 -8.925 1.00 0.00 H new ATOM 0 HB1 ALA A 88 3.788 -3.953 -10.844 1.00 0.00 H new ATOM 0 HB2 ALA A 88 4.974 -4.155 -9.533 1.00 0.00 H new ATOM 0 HB3 ALA A 88 5.071 -5.178 -10.986 1.00 0.00 H new ATOM 1342 N GLU A 89 3.241 -7.336 -11.414 1.00 0.00 N ATOM 1343 CA GLU A 89 2.523 -8.062 -12.455 1.00 0.00 C ATOM 1344 C GLU A 89 1.411 -8.912 -11.847 1.00 0.00 C ATOM 1345 O GLU A 89 0.343 -9.065 -12.439 1.00 0.00 O ATOM 1346 CB GLU A 89 3.486 -8.960 -13.233 1.00 0.00 C ATOM 1347 CG GLU A 89 4.459 -8.092 -14.033 1.00 0.00 C ATOM 1348 CD GLU A 89 5.395 -8.976 -14.852 1.00 0.00 C ATOM 1349 OE1 GLU A 89 5.370 -10.178 -14.650 1.00 0.00 O ATOM 1350 OE2 GLU A 89 6.123 -8.436 -15.669 1.00 0.00 O ATOM 0 H GLU A 89 4.217 -7.608 -11.299 1.00 0.00 H new ATOM 0 HA GLU A 89 2.080 -7.334 -13.135 1.00 0.00 H new ATOM 0 HB2 GLU A 89 4.036 -9.603 -12.546 1.00 0.00 H new ATOM 0 HB3 GLU A 89 2.929 -9.614 -13.904 1.00 0.00 H new ATOM 0 HG2 GLU A 89 3.905 -7.425 -14.693 1.00 0.00 H new ATOM 0 HG3 GLU A 89 5.038 -7.463 -13.357 1.00 0.00 H new ATOM 1357 N ASN A 90 1.669 -9.461 -10.666 1.00 0.00 N ATOM 1358 CA ASN A 90 0.679 -10.294 -9.993 1.00 0.00 C ATOM 1359 C ASN A 90 -0.621 -9.522 -9.791 1.00 0.00 C ATOM 1360 O ASN A 90 -1.711 -10.078 -9.931 1.00 0.00 O ATOM 1361 CB ASN A 90 1.218 -10.752 -8.636 1.00 0.00 C ATOM 1362 CG ASN A 90 2.432 -11.651 -8.835 1.00 0.00 C ATOM 1363 OD1 ASN A 90 2.653 -12.164 -9.932 1.00 0.00 O ATOM 1364 ND2 ASN A 90 3.237 -11.875 -7.833 1.00 0.00 N ATOM 0 H ASN A 90 2.546 -9.346 -10.158 1.00 0.00 H new ATOM 0 HA ASN A 90 0.479 -11.165 -10.617 1.00 0.00 H new ATOM 0 HB2 ASN A 90 1.491 -9.886 -8.033 1.00 0.00 H new ATOM 0 HB3 ASN A 90 0.443 -11.289 -8.090 1.00 0.00 H new ATOM 0 HD21 ASN A 90 4.051 -12.476 -7.958 1.00 0.00 H new ATOM 0 HD22 ASN A 90 3.052 -11.449 -6.925 1.00 0.00 H new ATOM 1371 N LEU A 91 -0.499 -8.239 -9.466 1.00 0.00 N ATOM 1372 CA LEU A 91 -1.673 -7.402 -9.251 1.00 0.00 C ATOM 1373 C LEU A 91 -2.488 -7.282 -10.536 1.00 0.00 C ATOM 1374 O LEU A 91 -3.718 -7.295 -10.506 1.00 0.00 O ATOM 1375 CB LEU A 91 -1.242 -6.010 -8.784 1.00 0.00 C ATOM 1376 CG LEU A 91 -2.481 -5.177 -8.443 1.00 0.00 C ATOM 1377 CD1 LEU A 91 -3.191 -5.782 -7.229 1.00 0.00 C ATOM 1378 CD2 LEU A 91 -2.055 -3.744 -8.115 1.00 0.00 C ATOM 0 H LEU A 91 0.393 -7.760 -9.347 1.00 0.00 H new ATOM 0 HA LEU A 91 -2.293 -7.866 -8.484 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -0.595 -6.092 -7.911 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -0.663 -5.516 -9.564 1.00 0.00 H new ATOM 0 HG LEU A 91 -3.159 -5.174 -9.296 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -4.072 -5.187 -6.989 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -3.494 -6.804 -7.457 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -2.513 -5.786 -6.376 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -2.936 -3.149 -7.872 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -1.376 -3.752 -7.262 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -1.550 -3.308 -8.977 1.00 0.00 H new ATOM 1390 N VAL A 92 -1.792 -7.162 -11.662 1.00 0.00 N ATOM 1391 CA VAL A 92 -2.462 -7.037 -12.951 1.00 0.00 C ATOM 1392 C VAL A 92 -3.250 -8.301 -13.276 1.00 0.00 C ATOM 1393 O VAL A 92 -4.387 -8.232 -13.745 1.00 0.00 O ATOM 1394 CB VAL A 92 -1.431 -6.781 -14.052 1.00 0.00 C ATOM 1395 CG1 VAL A 92 -2.117 -6.826 -15.417 1.00 0.00 C ATOM 1396 CG2 VAL A 92 -0.797 -5.403 -13.845 1.00 0.00 C ATOM 0 H VAL A 92 -0.773 -7.149 -11.708 1.00 0.00 H new ATOM 0 HA VAL A 92 -3.155 -6.197 -12.896 1.00 0.00 H new ATOM 0 HB VAL A 92 -0.658 -7.548 -14.010 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -1.381 -6.643 -16.200 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -2.569 -7.807 -15.565 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -2.891 -6.060 -15.461 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -0.062 -5.219 -14.629 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -1.571 -4.637 -13.886 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -0.306 -5.371 -12.872 1.00 0.00 H new ATOM 1406 N LEU A 93 -2.641 -9.455 -13.023 1.00 0.00 N ATOM 1407 CA LEU A 93 -3.296 -10.730 -13.295 1.00 0.00 C ATOM 1408 C LEU A 93 -4.574 -10.867 -12.472 1.00 0.00 C ATOM 1409 O LEU A 93 -5.569 -11.417 -12.942 1.00 0.00 O ATOM 1410 CB LEU A 93 -2.343 -11.884 -12.969 1.00 0.00 C ATOM 1411 CG LEU A 93 -1.072 -11.753 -13.816 1.00 0.00 C ATOM 1412 CD1 LEU A 93 -0.125 -12.914 -13.508 1.00 0.00 C ATOM 1413 CD2 LEU A 93 -1.441 -11.783 -15.300 1.00 0.00 C ATOM 0 H LEU A 93 -1.702 -9.534 -12.633 1.00 0.00 H new ATOM 0 HA LEU A 93 -3.559 -10.765 -14.352 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -2.089 -11.872 -11.909 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -2.829 -12.839 -13.169 1.00 0.00 H new ATOM 0 HG LEU A 93 -0.579 -10.810 -13.580 1.00 0.00 H new ATOM 0 HD11 LEU A 93 0.777 -12.818 -14.112 1.00 0.00 H new ATOM 0 HD12 LEU A 93 0.142 -12.895 -12.451 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -0.618 -13.858 -13.741 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -0.537 -11.690 -15.902 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -1.936 -12.726 -15.533 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -2.113 -10.955 -15.525 1.00 0.00 H new ATOM 1425 N THR A 94 -4.540 -10.361 -11.243 1.00 0.00 N ATOM 1426 CA THR A 94 -5.704 -10.432 -10.368 1.00 0.00 C ATOM 1427 C THR A 94 -6.894 -9.705 -10.990 1.00 0.00 C ATOM 1428 O THR A 94 -8.030 -10.172 -10.909 1.00 0.00 O ATOM 1429 CB THR A 94 -5.375 -9.807 -9.010 1.00 0.00 C ATOM 1430 OG1 THR A 94 -4.225 -10.442 -8.467 1.00 0.00 O ATOM 1431 CG2 THR A 94 -6.559 -9.990 -8.061 1.00 0.00 C ATOM 0 H THR A 94 -3.727 -9.901 -10.834 1.00 0.00 H new ATOM 0 HA THR A 94 -5.967 -11.481 -10.233 1.00 0.00 H new ATOM 0 HB THR A 94 -5.178 -8.742 -9.136 1.00 0.00 H new ATOM 0 HG1 THR A 94 -3.429 -10.153 -8.959 1.00 0.00 H new ATOM 0 HG21 THR A 94 -6.323 -9.544 -7.095 1.00 0.00 H new ATOM 0 HG22 THR A 94 -7.440 -9.503 -8.480 1.00 0.00 H new ATOM 0 HG23 THR A 94 -6.760 -11.053 -7.931 1.00 0.00 H new ATOM 1439 N LEU A 95 -6.627 -8.557 -11.606 1.00 0.00 N ATOM 1440 CA LEU A 95 -7.686 -7.774 -12.233 1.00 0.00 C ATOM 1441 C LEU A 95 -8.358 -8.565 -13.353 1.00 0.00 C ATOM 1442 O LEU A 95 -9.570 -8.472 -13.545 1.00 0.00 O ATOM 1443 CB LEU A 95 -7.113 -6.468 -12.793 1.00 0.00 C ATOM 1444 CG LEU A 95 -6.440 -5.677 -11.669 1.00 0.00 C ATOM 1445 CD1 LEU A 95 -5.904 -4.356 -12.222 1.00 0.00 C ATOM 1446 CD2 LEU A 95 -7.460 -5.382 -10.566 1.00 0.00 C ATOM 0 H LEU A 95 -5.694 -8.151 -11.684 1.00 0.00 H new ATOM 0 HA LEU A 95 -8.434 -7.544 -11.474 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -6.392 -6.684 -13.581 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -7.908 -5.874 -13.243 1.00 0.00 H new ATOM 0 HG LEU A 95 -5.618 -6.264 -11.260 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -5.425 -3.794 -11.420 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -5.176 -4.559 -13.008 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -6.728 -3.772 -12.632 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -6.979 -4.819 -9.767 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -8.282 -4.797 -10.978 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -7.846 -6.320 -10.167 1.00 0.00 H new ATOM 1458 N GLN A 96 -7.570 -9.347 -14.086 1.00 0.00 N ATOM 1459 CA GLN A 96 -8.119 -10.149 -15.176 1.00 0.00 C ATOM 1460 C GLN A 96 -9.164 -11.122 -14.644 1.00 0.00 C ATOM 1461 O GLN A 96 -10.162 -11.401 -15.308 1.00 0.00 O ATOM 1462 CB GLN A 96 -7.002 -10.928 -15.881 1.00 0.00 C ATOM 1463 CG GLN A 96 -6.231 -9.994 -16.820 1.00 0.00 C ATOM 1464 CD GLN A 96 -5.411 -8.996 -16.012 1.00 0.00 C ATOM 1465 OE1 GLN A 96 -4.205 -9.175 -15.844 1.00 0.00 O ATOM 1466 NE2 GLN A 96 -5.995 -7.951 -15.500 1.00 0.00 N ATOM 0 H GLN A 96 -6.564 -9.442 -13.949 1.00 0.00 H new ATOM 0 HA GLN A 96 -8.590 -9.476 -15.892 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -6.324 -11.358 -15.143 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -7.426 -11.758 -16.446 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -5.574 -10.577 -17.466 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -6.927 -9.463 -17.469 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -6.995 -7.805 -15.641 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -5.453 -7.278 -14.958 1.00 0.00 H new ATOM 1475 N GLU A 97 -8.929 -11.633 -13.440 1.00 0.00 N ATOM 1476 CA GLU A 97 -9.859 -12.571 -12.823 1.00 0.00 C ATOM 1477 C GLU A 97 -11.212 -11.907 -12.591 1.00 0.00 C ATOM 1478 O GLU A 97 -12.254 -12.561 -12.644 1.00 0.00 O ATOM 1479 CB GLU A 97 -9.295 -13.065 -11.489 1.00 0.00 C ATOM 1480 CG GLU A 97 -8.011 -13.857 -11.740 1.00 0.00 C ATOM 1481 CD GLU A 97 -7.478 -14.413 -10.424 1.00 0.00 C ATOM 1482 OE1 GLU A 97 -8.005 -14.041 -9.389 1.00 0.00 O ATOM 1483 OE2 GLU A 97 -6.548 -15.204 -10.470 1.00 0.00 O ATOM 0 H GLU A 97 -8.108 -11.415 -12.875 1.00 0.00 H new ATOM 0 HA GLU A 97 -9.993 -13.418 -13.496 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -9.091 -12.219 -10.833 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -10.028 -13.692 -10.982 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -8.207 -14.672 -12.437 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -7.262 -13.215 -12.203 1.00 0.00 H new ATOM 1490 N LEU A 98 -11.186 -10.604 -12.328 1.00 0.00 N ATOM 1491 CA LEU A 98 -12.415 -9.858 -12.084 1.00 0.00 C ATOM 1492 C LEU A 98 -13.072 -9.452 -13.400 1.00 0.00 C ATOM 1493 O LEU A 98 -14.130 -8.821 -13.408 1.00 0.00 O ATOM 1494 CB LEU A 98 -12.111 -8.606 -11.258 1.00 0.00 C ATOM 1495 CG LEU A 98 -11.384 -9.003 -9.972 1.00 0.00 C ATOM 1496 CD1 LEU A 98 -11.155 -7.761 -9.111 1.00 0.00 C ATOM 1497 CD2 LEU A 98 -12.234 -10.009 -9.192 1.00 0.00 C ATOM 0 H LEU A 98 -10.333 -10.046 -12.279 1.00 0.00 H new ATOM 0 HA LEU A 98 -13.101 -10.501 -11.533 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -11.496 -7.917 -11.837 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -13.037 -8.083 -11.018 1.00 0.00 H new ATOM 0 HG LEU A 98 -10.425 -9.455 -10.225 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -10.637 -8.044 -8.195 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -10.549 -7.042 -9.663 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -12.115 -7.310 -8.860 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -11.715 -10.291 -8.276 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -13.194 -9.557 -8.941 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -12.400 -10.896 -9.803 1.00 0.00 H new ATOM 1509 N ASN A 99 -12.442 -9.818 -14.513 1.00 0.00 N ATOM 1510 CA ASN A 99 -12.981 -9.483 -15.826 1.00 0.00 C ATOM 1511 C ASN A 99 -13.073 -7.969 -15.998 1.00 0.00 C ATOM 1512 O ASN A 99 -14.127 -7.437 -16.348 1.00 0.00 O ATOM 1513 CB ASN A 99 -14.369 -10.103 -15.994 1.00 0.00 C ATOM 1514 CG ASN A 99 -14.748 -10.140 -17.470 1.00 0.00 C ATOM 1515 OD1 ASN A 99 -14.088 -10.811 -18.264 1.00 0.00 O ATOM 1516 ND2 ASN A 99 -15.777 -9.455 -17.887 1.00 0.00 N ATOM 0 H ASN A 99 -11.567 -10.341 -14.532 1.00 0.00 H new ATOM 0 HA ASN A 99 -12.310 -9.883 -16.586 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -14.378 -11.112 -15.582 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -15.105 -9.524 -15.435 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -16.037 -9.474 -18.873 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -16.322 -8.900 -17.227 1.00 0.00 H new ATOM 1523 N VAL A 100 -11.963 -7.283 -15.747 1.00 0.00 N ATOM 1524 CA VAL A 100 -11.927 -5.829 -15.874 1.00 0.00 C ATOM 1525 C VAL A 100 -11.299 -5.424 -17.204 1.00 0.00 C ATOM 1526 O VAL A 100 -10.315 -6.018 -17.644 1.00 0.00 O ATOM 1527 CB VAL A 100 -11.122 -5.225 -14.722 1.00 0.00 C ATOM 1528 CG1 VAL A 100 -11.162 -3.700 -14.819 1.00 0.00 C ATOM 1529 CG2 VAL A 100 -11.729 -5.667 -13.389 1.00 0.00 C ATOM 0 H VAL A 100 -11.082 -7.706 -15.456 1.00 0.00 H new ATOM 0 HA VAL A 100 -12.950 -5.453 -15.838 1.00 0.00 H new ATOM 0 HB VAL A 100 -10.089 -5.567 -14.782 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -10.589 -3.268 -13.999 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -10.730 -3.384 -15.769 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -12.195 -3.359 -14.759 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -11.156 -5.237 -12.568 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -12.762 -5.325 -13.328 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -11.702 -6.754 -13.320 1.00 0.00 H new ATOM 1539 N SER A 101 -11.879 -4.411 -17.844 1.00 0.00 N ATOM 1540 CA SER A 101 -11.372 -3.939 -19.127 1.00 0.00 C ATOM 1541 C SER A 101 -9.890 -3.593 -19.027 1.00 0.00 C ATOM 1542 O SER A 101 -9.440 -3.021 -18.035 1.00 0.00 O ATOM 1543 CB SER A 101 -12.159 -2.708 -19.577 1.00 0.00 C ATOM 1544 OG SER A 101 -11.710 -2.309 -20.866 1.00 0.00 O ATOM 0 H SER A 101 -12.694 -3.906 -17.497 1.00 0.00 H new ATOM 0 HA SER A 101 -11.495 -4.736 -19.860 1.00 0.00 H new ATOM 0 HB2 SER A 101 -13.225 -2.934 -19.604 1.00 0.00 H new ATOM 0 HB3 SER A 101 -12.023 -1.895 -18.864 1.00 0.00 H new ATOM 0 HG SER A 101 -12.214 -1.521 -21.158 1.00 0.00 H new ATOM 1550 N GLN A 102 -9.139 -3.950 -20.064 1.00 0.00 N ATOM 1551 CA GLN A 102 -7.705 -3.682 -20.092 1.00 0.00 C ATOM 1552 C GLN A 102 -7.419 -2.191 -19.948 1.00 0.00 C ATOM 1553 O GLN A 102 -6.444 -1.797 -19.307 1.00 0.00 O ATOM 1554 CB GLN A 102 -7.108 -4.192 -21.406 1.00 0.00 C ATOM 1555 CG GLN A 102 -5.582 -4.106 -21.344 1.00 0.00 C ATOM 1556 CD GLN A 102 -5.037 -5.182 -20.409 1.00 0.00 C ATOM 1557 OE1 GLN A 102 -5.190 -6.373 -20.679 1.00 0.00 O ATOM 1558 NE2 GLN A 102 -4.408 -4.831 -19.322 1.00 0.00 N ATOM 0 H GLN A 102 -9.498 -4.424 -20.893 1.00 0.00 H new ATOM 0 HA GLN A 102 -7.247 -4.203 -19.251 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -7.417 -5.222 -21.582 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -7.482 -3.600 -22.241 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -5.161 -4.232 -22.342 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -5.279 -3.120 -20.993 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -4.283 -3.843 -19.102 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -4.041 -5.544 -18.692 1.00 0.00 H new ATOM 1567 N ASP A 103 -8.264 -1.362 -20.555 1.00 0.00 N ATOM 1568 CA ASP A 103 -8.071 0.082 -20.489 1.00 0.00 C ATOM 1569 C ASP A 103 -8.030 0.560 -19.041 1.00 0.00 C ATOM 1570 O ASP A 103 -7.183 1.373 -18.671 1.00 0.00 O ATOM 1571 CB ASP A 103 -9.206 0.793 -21.228 1.00 0.00 C ATOM 1572 CG ASP A 103 -9.122 0.498 -22.722 1.00 0.00 C ATOM 1573 OD1 ASP A 103 -8.101 -0.021 -23.145 1.00 0.00 O ATOM 1574 OD2 ASP A 103 -10.077 0.795 -23.420 1.00 0.00 O ATOM 0 H ASP A 103 -9.079 -1.661 -21.091 1.00 0.00 H new ATOM 0 HA ASP A 103 -7.118 0.320 -20.962 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -10.168 0.462 -20.837 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -9.145 1.868 -21.057 1.00 0.00 H new ATOM 1579 N LEU A 104 -8.943 0.048 -18.222 1.00 0.00 N ATOM 1580 CA LEU A 104 -8.988 0.434 -16.816 1.00 0.00 C ATOM 1581 C LEU A 104 -7.768 -0.104 -16.075 1.00 0.00 C ATOM 1582 O LEU A 104 -7.203 0.572 -15.215 1.00 0.00 O ATOM 1583 CB LEU A 104 -10.265 -0.105 -16.166 1.00 0.00 C ATOM 1584 CG LEU A 104 -11.491 0.441 -16.903 1.00 0.00 C ATOM 1585 CD1 LEU A 104 -12.762 -0.076 -16.228 1.00 0.00 C ATOM 1586 CD2 LEU A 104 -11.479 1.970 -16.856 1.00 0.00 C ATOM 0 H LEU A 104 -9.654 -0.627 -18.503 1.00 0.00 H new ATOM 0 HA LEU A 104 -8.984 1.522 -16.756 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -10.267 -1.195 -16.195 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -10.301 0.186 -15.116 1.00 0.00 H new ATOM 0 HG LEU A 104 -11.466 0.109 -17.941 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -13.636 0.312 -16.752 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -12.774 -1.165 -16.260 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -12.784 0.256 -15.190 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -12.352 2.357 -17.381 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -11.503 2.302 -15.818 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -10.573 2.342 -17.335 1.00 0.00 H new ATOM 1598 N ILE A 105 -7.367 -1.325 -16.415 1.00 0.00 N ATOM 1599 CA ILE A 105 -6.212 -1.946 -15.778 1.00 0.00 C ATOM 1600 C ILE A 105 -4.940 -1.161 -16.079 1.00 0.00 C ATOM 1601 O ILE A 105 -4.067 -1.023 -15.222 1.00 0.00 O ATOM 1602 CB ILE A 105 -6.058 -3.387 -16.266 1.00 0.00 C ATOM 1603 CG1 ILE A 105 -7.307 -4.187 -15.879 1.00 0.00 C ATOM 1604 CG2 ILE A 105 -4.824 -4.018 -15.618 1.00 0.00 C ATOM 1605 CD1 ILE A 105 -7.252 -5.574 -16.521 1.00 0.00 C ATOM 0 H ILE A 105 -7.822 -1.901 -17.124 1.00 0.00 H new ATOM 0 HA ILE A 105 -6.373 -1.944 -14.700 1.00 0.00 H new ATOM 0 HB ILE A 105 -5.939 -3.396 -17.349 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -7.369 -4.280 -14.795 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -8.204 -3.660 -16.206 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -4.715 -5.045 -15.966 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -3.937 -3.446 -15.891 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -4.939 -4.013 -14.534 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -8.142 -6.139 -16.243 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -7.211 -5.472 -17.605 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -6.364 -6.101 -16.173 1.00 0.00 H new ATOM 1617 N ASP A 106 -4.841 -0.647 -17.301 1.00 0.00 N ATOM 1618 CA ASP A 106 -3.667 0.123 -17.697 1.00 0.00 C ATOM 1619 C ASP A 106 -3.476 1.319 -16.770 1.00 0.00 C ATOM 1620 O ASP A 106 -2.352 1.652 -16.395 1.00 0.00 O ATOM 1621 CB ASP A 106 -3.826 0.612 -19.138 1.00 0.00 C ATOM 1622 CG ASP A 106 -3.800 -0.574 -20.096 1.00 0.00 C ATOM 1623 OD1 ASP A 106 -3.441 -1.656 -19.661 1.00 0.00 O ATOM 1624 OD2 ASP A 106 -4.141 -0.383 -21.252 1.00 0.00 O ATOM 0 H ASP A 106 -5.551 -0.748 -18.027 1.00 0.00 H new ATOM 0 HA ASP A 106 -2.791 -0.521 -17.627 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -4.764 1.156 -19.245 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -3.024 1.308 -19.385 1.00 0.00 H new ATOM 1629 N GLU A 107 -4.582 1.957 -16.400 1.00 0.00 N ATOM 1630 CA GLU A 107 -4.523 3.112 -15.513 1.00 0.00 C ATOM 1631 C GLU A 107 -4.003 2.706 -14.137 1.00 0.00 C ATOM 1632 O GLU A 107 -3.287 3.465 -13.484 1.00 0.00 O ATOM 1633 CB GLU A 107 -5.915 3.733 -15.371 1.00 0.00 C ATOM 1634 CG GLU A 107 -6.370 4.280 -16.726 1.00 0.00 C ATOM 1635 CD GLU A 107 -7.727 4.961 -16.584 1.00 0.00 C ATOM 1636 OE1 GLU A 107 -8.320 4.841 -15.525 1.00 0.00 O ATOM 1637 OE2 GLU A 107 -8.153 5.592 -17.537 1.00 0.00 O ATOM 0 H GLU A 107 -5.522 1.696 -16.698 1.00 0.00 H new ATOM 0 HA GLU A 107 -3.840 3.844 -15.945 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -6.623 2.986 -15.012 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -5.894 4.534 -14.632 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -5.635 4.990 -17.106 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -6.435 3.469 -17.452 1.00 0.00 H new ATOM 1644 N VAL A 108 -4.369 1.503 -13.705 1.00 0.00 N ATOM 1645 CA VAL A 108 -3.936 1.003 -12.405 1.00 0.00 C ATOM 1646 C VAL A 108 -2.420 0.852 -12.363 1.00 0.00 C ATOM 1647 O VAL A 108 -1.784 1.148 -11.351 1.00 0.00 O ATOM 1648 CB VAL A 108 -4.592 -0.349 -12.123 1.00 0.00 C ATOM 1649 CG1 VAL A 108 -4.008 -0.943 -10.839 1.00 0.00 C ATOM 1650 CG2 VAL A 108 -6.101 -0.156 -11.954 1.00 0.00 C ATOM 0 H VAL A 108 -4.960 0.860 -14.232 1.00 0.00 H new ATOM 0 HA VAL A 108 -4.238 1.722 -11.643 1.00 0.00 H new ATOM 0 HB VAL A 108 -4.401 -1.026 -12.956 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -4.476 -1.907 -10.638 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -2.933 -1.079 -10.957 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -4.199 -0.267 -10.006 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -6.571 -1.119 -11.753 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -6.290 0.521 -11.121 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -6.518 0.267 -12.868 1.00 0.00 H new ATOM 1660 N VAL A 109 -1.845 0.388 -13.467 1.00 0.00 N ATOM 1661 CA VAL A 109 -0.401 0.198 -13.543 1.00 0.00 C ATOM 1662 C VAL A 109 0.329 1.517 -13.316 1.00 0.00 C ATOM 1663 O VAL A 109 1.345 1.564 -12.623 1.00 0.00 O ATOM 1664 CB VAL A 109 -0.022 -0.368 -14.912 1.00 0.00 C ATOM 1665 CG1 VAL A 109 1.501 -0.373 -15.060 1.00 0.00 C ATOM 1666 CG2 VAL A 109 -0.550 -1.799 -15.035 1.00 0.00 C ATOM 0 H VAL A 109 -2.352 0.138 -14.316 1.00 0.00 H new ATOM 0 HA VAL A 109 -0.105 -0.504 -12.763 1.00 0.00 H new ATOM 0 HB VAL A 109 -0.460 0.251 -15.695 1.00 0.00 H new ATOM 0 HG11 VAL A 109 1.770 -0.777 -16.036 1.00 0.00 H new ATOM 0 HG12 VAL A 109 1.878 0.646 -14.972 1.00 0.00 H new ATOM 0 HG13 VAL A 109 1.941 -0.992 -14.278 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -0.280 -2.204 -16.011 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -0.111 -2.417 -14.252 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -1.635 -1.797 -14.930 1.00 0.00 H new ATOM 1676 N THR A 110 -0.193 2.588 -13.906 1.00 0.00 N ATOM 1677 CA THR A 110 0.422 3.901 -13.763 1.00 0.00 C ATOM 1678 C THR A 110 0.460 4.327 -12.297 1.00 0.00 C ATOM 1679 O THR A 110 1.454 4.883 -11.829 1.00 0.00 O ATOM 1680 CB THR A 110 -0.361 4.936 -14.574 1.00 0.00 C ATOM 1681 OG1 THR A 110 -0.457 4.503 -15.923 1.00 0.00 O ATOM 1682 CG2 THR A 110 0.360 6.284 -14.518 1.00 0.00 C ATOM 0 H THR A 110 -1.034 2.572 -14.483 1.00 0.00 H new ATOM 0 HA THR A 110 1.444 3.840 -14.136 1.00 0.00 H new ATOM 0 HB THR A 110 -1.361 5.045 -14.155 1.00 0.00 H new ATOM 0 HG1 THR A 110 -0.960 5.164 -16.444 1.00 0.00 H new ATOM 0 HG21 THR A 110 -0.199 7.020 -15.096 1.00 0.00 H new ATOM 0 HG22 THR A 110 0.432 6.615 -13.482 1.00 0.00 H new ATOM 0 HG23 THR A 110 1.361 6.179 -14.936 1.00 0.00 H new ATOM 1690 N ILE A 111 -0.628 4.066 -11.579 1.00 0.00 N ATOM 1691 CA ILE A 111 -0.703 4.434 -10.168 1.00 0.00 C ATOM 1692 C ILE A 111 0.412 3.761 -9.374 1.00 0.00 C ATOM 1693 O ILE A 111 1.141 4.418 -8.631 1.00 0.00 O ATOM 1694 CB ILE A 111 -2.059 4.022 -9.594 1.00 0.00 C ATOM 1695 CG1 ILE A 111 -3.175 4.745 -10.352 1.00 0.00 C ATOM 1696 CG2 ILE A 111 -2.123 4.399 -8.112 1.00 0.00 C ATOM 1697 CD1 ILE A 111 -4.535 4.234 -9.872 1.00 0.00 C ATOM 0 H ILE A 111 -1.462 3.606 -11.945 1.00 0.00 H new ATOM 0 HA ILE A 111 -0.586 5.515 -10.089 1.00 0.00 H new ATOM 0 HB ILE A 111 -2.185 2.945 -9.700 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -3.101 5.820 -10.190 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -3.069 4.576 -11.424 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -3.090 4.105 -7.703 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -1.329 3.885 -7.571 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -1.996 5.476 -8.005 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -5.329 4.750 -10.412 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -4.607 3.162 -10.057 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -4.639 4.426 -8.804 1.00 0.00 H new ATOM 1709 N VAL A 112 0.539 2.448 -9.538 1.00 0.00 N ATOM 1710 CA VAL A 112 1.571 1.698 -8.832 1.00 0.00 C ATOM 1711 C VAL A 112 2.905 1.807 -9.562 1.00 0.00 C ATOM 1712 O VAL A 112 3.966 1.608 -8.972 1.00 0.00 O ATOM 1713 CB VAL A 112 1.165 0.228 -8.721 1.00 0.00 C ATOM 1714 CG1 VAL A 112 -0.202 0.125 -8.042 1.00 0.00 C ATOM 1715 CG2 VAL A 112 1.082 -0.383 -10.121 1.00 0.00 C ATOM 0 H VAL A 112 -0.054 1.886 -10.148 1.00 0.00 H new ATOM 0 HA VAL A 112 1.681 2.119 -7.833 1.00 0.00 H new ATOM 0 HB VAL A 112 1.906 -0.310 -8.130 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -0.491 -0.923 -7.963 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -0.147 0.562 -7.045 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -0.943 0.662 -8.633 1.00 0.00 H new ATOM 0 HG21 VAL A 112 0.793 -1.431 -10.044 1.00 0.00 H new ATOM 0 HG22 VAL A 112 0.340 0.156 -10.710 1.00 0.00 H new ATOM 0 HG23 VAL A 112 2.054 -0.310 -10.608 1.00 0.00 H new ATOM 1725 N GLY A 113 2.841 2.120 -10.852 1.00 0.00 N ATOM 1726 CA GLY A 113 4.047 2.248 -11.660 1.00 0.00 C ATOM 1727 C GLY A 113 4.687 3.622 -11.487 1.00 0.00 C ATOM 1728 O GLY A 113 5.588 3.993 -12.240 1.00 0.00 O ATOM 0 H GLY A 113 1.971 2.289 -11.358 1.00 0.00 H new ATOM 0 HA2 GLY A 113 4.760 1.474 -11.377 1.00 0.00 H new ATOM 0 HA3 GLY A 113 3.802 2.088 -12.710 1.00 0.00 H new ATOM 1732 N SER A 114 4.219 4.374 -10.495 1.00 0.00 N ATOM 1733 CA SER A 114 4.764 5.704 -10.246 1.00 0.00 C ATOM 1734 C SER A 114 6.259 5.620 -9.954 1.00 0.00 C ATOM 1735 O SER A 114 6.716 4.716 -9.256 1.00 0.00 O ATOM 1736 CB SER A 114 4.046 6.351 -9.062 1.00 0.00 C ATOM 1737 OG SER A 114 2.658 6.447 -9.350 1.00 0.00 O ATOM 0 H SER A 114 3.474 4.090 -9.859 1.00 0.00 H new ATOM 0 HA SER A 114 4.611 6.313 -11.137 1.00 0.00 H new ATOM 0 HB2 SER A 114 4.202 5.759 -8.160 1.00 0.00 H new ATOM 0 HB3 SER A 114 4.458 7.341 -8.869 1.00 0.00 H new ATOM 0 HG SER A 114 2.253 5.555 -9.311 1.00 0.00 H new ATOM 1743 N VAL A 115 7.016 6.568 -10.497 1.00 0.00 N ATOM 1744 CA VAL A 115 8.460 6.591 -10.294 1.00 0.00 C ATOM 1745 C VAL A 115 8.806 6.934 -8.847 1.00 0.00 C ATOM 1746 O VAL A 115 9.708 6.337 -8.258 1.00 0.00 O ATOM 1747 CB VAL A 115 9.102 7.615 -11.230 1.00 0.00 C ATOM 1748 CG1 VAL A 115 10.588 7.749 -10.899 1.00 0.00 C ATOM 1749 CG2 VAL A 115 8.945 7.148 -12.680 1.00 0.00 C ATOM 0 H VAL A 115 6.656 7.326 -11.077 1.00 0.00 H new ATOM 0 HA VAL A 115 8.849 5.597 -10.516 1.00 0.00 H new ATOM 0 HB VAL A 115 8.612 8.580 -11.102 1.00 0.00 H new ATOM 0 HG11 VAL A 115 11.045 8.479 -11.567 1.00 0.00 H new ATOM 0 HG12 VAL A 115 10.702 8.080 -9.867 1.00 0.00 H new ATOM 0 HG13 VAL A 115 11.078 6.784 -11.027 1.00 0.00 H new ATOM 0 HG21 VAL A 115 9.402 7.877 -13.349 1.00 0.00 H new ATOM 0 HG22 VAL A 115 9.435 6.183 -12.806 1.00 0.00 H new ATOM 0 HG23 VAL A 115 7.886 7.051 -12.918 1.00 0.00 H new ATOM 1759 N GLN A 116 8.093 7.905 -8.283 1.00 0.00 N ATOM 1760 CA GLN A 116 8.348 8.325 -6.908 1.00 0.00 C ATOM 1761 C GLN A 116 8.162 7.162 -5.937 1.00 0.00 C ATOM 1762 O GLN A 116 8.965 6.973 -5.023 1.00 0.00 O ATOM 1763 CB GLN A 116 7.397 9.460 -6.526 1.00 0.00 C ATOM 1764 CG GLN A 116 7.818 10.044 -5.177 1.00 0.00 C ATOM 1765 CD GLN A 116 6.764 11.029 -4.681 1.00 0.00 C ATOM 1766 OE1 GLN A 116 6.395 11.958 -5.399 1.00 0.00 O ATOM 1767 NE2 GLN A 116 6.255 10.879 -3.488 1.00 0.00 N ATOM 0 H GLN A 116 7.341 8.412 -8.751 1.00 0.00 H new ATOM 0 HA GLN A 116 9.380 8.670 -6.845 1.00 0.00 H new ATOM 0 HB2 GLN A 116 7.413 10.236 -7.291 1.00 0.00 H new ATOM 0 HB3 GLN A 116 6.374 9.089 -6.470 1.00 0.00 H new ATOM 0 HG2 GLN A 116 7.949 9.243 -4.450 1.00 0.00 H new ATOM 0 HG3 GLN A 116 8.780 10.547 -5.274 1.00 0.00 H new ATOM 0 HE21 GLN A 116 6.563 10.108 -2.895 1.00 0.00 H new ATOM 0 HE22 GLN A 116 5.549 11.533 -3.149 1.00 0.00 H new ATOM 1776 N HIS A 117 7.098 6.388 -6.136 1.00 0.00 N ATOM 1777 CA HIS A 117 6.822 5.250 -5.266 1.00 0.00 C ATOM 1778 C HIS A 117 7.962 4.241 -5.333 1.00 0.00 C ATOM 1779 O HIS A 117 8.400 3.712 -4.310 1.00 0.00 O ATOM 1780 CB HIS A 117 5.509 4.582 -5.682 1.00 0.00 C ATOM 1781 CG HIS A 117 5.095 3.578 -4.640 1.00 0.00 C ATOM 1782 ND1 HIS A 117 5.351 3.762 -3.290 1.00 0.00 N ATOM 1783 CD2 HIS A 117 4.418 2.387 -4.732 1.00 0.00 C ATOM 1784 CE1 HIS A 117 4.835 2.708 -2.629 1.00 0.00 C ATOM 1785 NE2 HIS A 117 4.251 1.837 -3.464 1.00 0.00 N ATOM 0 H HIS A 117 6.419 6.526 -6.885 1.00 0.00 H new ATOM 0 HA HIS A 117 6.733 5.608 -4.240 1.00 0.00 H new ATOM 0 HB2 HIS A 117 4.730 5.335 -5.804 1.00 0.00 H new ATOM 0 HB3 HIS A 117 5.631 4.089 -6.647 1.00 0.00 H new ATOM 0 HD1 HIS A 117 5.842 4.553 -2.873 1.00 0.00 H new ATOM 0 HD2 HIS A 117 4.067 1.943 -5.652 1.00 0.00 H new ATOM 0 HE1 HIS A 117 4.886 2.580 -1.558 1.00 0.00 H new ATOM 1793 N ARG A 118 8.443 3.979 -6.543 1.00 0.00 N ATOM 1794 CA ARG A 118 9.537 3.035 -6.729 1.00 0.00 C ATOM 1795 C ARG A 118 10.758 3.466 -5.922 1.00 0.00 C ATOM 1796 O ARG A 118 11.452 2.634 -5.337 1.00 0.00 O ATOM 1797 CB ARG A 118 9.905 2.953 -8.213 1.00 0.00 C ATOM 1798 CG ARG A 118 10.992 1.896 -8.412 1.00 0.00 C ATOM 1799 CD ARG A 118 11.401 1.859 -9.885 1.00 0.00 C ATOM 1800 NE ARG A 118 12.368 0.792 -10.114 1.00 0.00 N ATOM 1801 CZ ARG A 118 12.880 0.577 -11.322 1.00 0.00 C ATOM 1802 NH1 ARG A 118 12.513 1.323 -12.329 1.00 0.00 N ATOM 1803 NH2 ARG A 118 13.747 -0.381 -11.501 1.00 0.00 N ATOM 0 H ARG A 118 8.096 4.403 -7.403 1.00 0.00 H new ATOM 0 HA ARG A 118 9.213 2.055 -6.380 1.00 0.00 H new ATOM 0 HB2 ARG A 118 9.024 2.700 -8.803 1.00 0.00 H new ATOM 0 HB3 ARG A 118 10.257 3.923 -8.565 1.00 0.00 H new ATOM 0 HG2 ARG A 118 11.856 2.126 -7.789 1.00 0.00 H new ATOM 0 HG3 ARG A 118 10.625 0.918 -8.100 1.00 0.00 H new ATOM 0 HD2 ARG A 118 10.522 1.703 -10.510 1.00 0.00 H new ATOM 0 HD3 ARG A 118 11.831 2.818 -10.174 1.00 0.00 H new ATOM 0 HE ARG A 118 12.656 0.201 -9.335 1.00 0.00 H new ATOM 0 HH11 ARG A 118 11.834 2.071 -12.189 1.00 0.00 H new ATOM 0 HH12 ARG A 118 12.906 1.158 -13.256 1.00 0.00 H new ATOM 0 HH21 ARG A 118 14.032 -0.965 -10.714 1.00 0.00 H new ATOM 0 HH22 ARG A 118 14.140 -0.546 -12.428 1.00 0.00 H new ATOM 1817 N ASN A 119 11.013 4.770 -5.898 1.00 0.00 N ATOM 1818 CA ASN A 119 12.154 5.303 -5.161 1.00 0.00 C ATOM 1819 C ASN A 119 12.064 4.939 -3.683 1.00 0.00 C ATOM 1820 O ASN A 119 13.075 4.656 -3.041 1.00 0.00 O ATOM 1821 CB ASN A 119 12.203 6.825 -5.309 1.00 0.00 C ATOM 1822 CG ASN A 119 12.449 7.198 -6.767 1.00 0.00 C ATOM 1823 OD1 ASN A 119 12.892 6.364 -7.556 1.00 0.00 O ATOM 1824 ND2 ASN A 119 12.187 8.410 -7.174 1.00 0.00 N ATOM 0 H ASN A 119 10.450 5.473 -6.376 1.00 0.00 H new ATOM 0 HA ASN A 119 13.062 4.864 -5.574 1.00 0.00 H new ATOM 0 HB2 ASN A 119 11.265 7.263 -4.966 1.00 0.00 H new ATOM 0 HB3 ASN A 119 12.994 7.235 -4.681 1.00 0.00 H new ATOM 0 HD21 ASN A 119 12.349 8.667 -8.148 1.00 0.00 H new ATOM 0 HD22 ASN A 119 11.820 9.100 -6.519 1.00 0.00 H new ATOM 1831 N ASP A 120 10.847 4.949 -3.146 1.00 0.00 N ATOM 1832 CA ASP A 120 10.643 4.619 -1.740 1.00 0.00 C ATOM 1833 C ASP A 120 11.144 3.210 -1.440 1.00 0.00 C ATOM 1834 O ASP A 120 11.704 2.954 -0.375 1.00 0.00 O ATOM 1835 CB ASP A 120 9.158 4.722 -1.385 1.00 0.00 C ATOM 1836 CG ASP A 120 8.698 6.173 -1.489 1.00 0.00 C ATOM 1837 OD1 ASP A 120 9.552 7.039 -1.575 1.00 0.00 O ATOM 1838 OD2 ASP A 120 7.499 6.396 -1.480 1.00 0.00 O ATOM 0 H ASP A 120 9.995 5.180 -3.658 1.00 0.00 H new ATOM 0 HA ASP A 120 11.209 5.329 -1.137 1.00 0.00 H new ATOM 0 HB2 ASP A 120 8.570 4.096 -2.057 1.00 0.00 H new ATOM 0 HB3 ASP A 120 8.990 4.350 -0.374 1.00 0.00 H new ATOM 1843 N VAL A 121 10.938 2.299 -2.386 1.00 0.00 N ATOM 1844 CA VAL A 121 11.375 0.918 -2.209 1.00 0.00 C ATOM 1845 C VAL A 121 12.888 0.853 -2.025 1.00 0.00 C ATOM 1846 O VAL A 121 13.389 0.117 -1.176 1.00 0.00 O ATOM 1847 CB VAL A 121 10.968 0.082 -3.423 1.00 0.00 C ATOM 1848 CG1 VAL A 121 11.582 -1.314 -3.312 1.00 0.00 C ATOM 1849 CG2 VAL A 121 9.443 -0.034 -3.472 1.00 0.00 C ATOM 0 H VAL A 121 10.476 2.489 -3.275 1.00 0.00 H new ATOM 0 HA VAL A 121 10.896 0.517 -1.316 1.00 0.00 H new ATOM 0 HB VAL A 121 11.327 0.564 -4.333 1.00 0.00 H new ATOM 0 HG11 VAL A 121 11.291 -1.909 -4.178 1.00 0.00 H new ATOM 0 HG12 VAL A 121 12.668 -1.232 -3.276 1.00 0.00 H new ATOM 0 HG13 VAL A 121 11.225 -1.797 -2.403 1.00 0.00 H new ATOM 0 HG21 VAL A 121 9.151 -0.630 -4.337 1.00 0.00 H new ATOM 0 HG22 VAL A 121 9.085 -0.516 -2.562 1.00 0.00 H new ATOM 0 HG23 VAL A 121 9.005 0.961 -3.552 1.00 0.00 H new ATOM 1859 N LEU A 122 13.611 1.629 -2.829 1.00 0.00 N ATOM 1860 CA LEU A 122 15.067 1.653 -2.746 1.00 0.00 C ATOM 1861 C LEU A 122 15.531 2.598 -1.640 1.00 0.00 C ATOM 1862 O LEU A 122 16.709 2.623 -1.287 1.00 0.00 O ATOM 1863 CB LEU A 122 15.660 2.100 -4.084 1.00 0.00 C ATOM 1864 CG LEU A 122 15.191 1.158 -5.195 1.00 0.00 C ATOM 1865 CD1 LEU A 122 15.813 1.587 -6.525 1.00 0.00 C ATOM 1866 CD2 LEU A 122 15.630 -0.273 -4.871 1.00 0.00 C ATOM 0 H LEU A 122 13.215 2.245 -3.540 1.00 0.00 H new ATOM 0 HA LEU A 122 15.412 0.646 -2.513 1.00 0.00 H new ATOM 0 HB2 LEU A 122 15.352 3.122 -4.306 1.00 0.00 H new ATOM 0 HB3 LEU A 122 16.749 2.100 -4.029 1.00 0.00 H new ATOM 0 HG LEU A 122 14.104 1.200 -5.269 1.00 0.00 H new ATOM 0 HD11 LEU A 122 15.479 0.916 -7.316 1.00 0.00 H new ATOM 0 HD12 LEU A 122 15.505 2.606 -6.759 1.00 0.00 H new ATOM 0 HD13 LEU A 122 16.900 1.545 -6.449 1.00 0.00 H new ATOM 0 HD21 LEU A 122 15.296 -0.944 -5.662 1.00 0.00 H new ATOM 0 HD22 LEU A 122 16.717 -0.312 -4.797 1.00 0.00 H new ATOM 0 HD23 LEU A 122 15.190 -0.583 -3.923 1.00 0.00 H new ATOM 1878 N ASN A 123 14.596 3.373 -1.100 1.00 0.00 N ATOM 1879 CA ASN A 123 14.919 4.318 -0.035 1.00 0.00 C ATOM 1880 C ASN A 123 15.983 5.310 -0.497 1.00 0.00 C ATOM 1881 O ASN A 123 16.925 5.609 0.235 1.00 0.00 O ATOM 1882 CB ASN A 123 15.420 3.567 1.201 1.00 0.00 C ATOM 1883 CG ASN A 123 14.320 2.661 1.742 1.00 0.00 C ATOM 1884 OD1 ASN A 123 13.147 2.851 1.424 1.00 0.00 O ATOM 1885 ND2 ASN A 123 14.631 1.682 2.546 1.00 0.00 N ATOM 0 H ASN A 123 13.615 3.367 -1.379 1.00 0.00 H new ATOM 0 HA ASN A 123 14.013 4.868 0.218 1.00 0.00 H new ATOM 0 HB2 ASN A 123 16.298 2.974 0.945 1.00 0.00 H new ATOM 0 HB3 ASN A 123 15.728 4.277 1.968 1.00 0.00 H new ATOM 0 HD21 ASN A 123 13.901 1.072 2.913 1.00 0.00 H new ATOM 0 HD22 ASN A 123 15.605 1.527 2.808 1.00 0.00 H new ATOM 1892 N ARG A 124 15.823 5.818 -1.714 1.00 0.00 N ATOM 1893 CA ARG A 124 16.774 6.779 -2.261 1.00 0.00 C ATOM 1894 C ARG A 124 16.277 8.204 -2.039 1.00 0.00 C ATOM 1895 O ARG A 124 16.566 9.048 -2.871 1.00 0.00 O ATOM 1896 CB ARG A 124 16.966 6.533 -3.760 1.00 0.00 C ATOM 1897 CG ARG A 124 17.492 5.112 -3.997 1.00 0.00 C ATOM 1898 CD ARG A 124 18.985 5.043 -3.659 1.00 0.00 C ATOM 1899 NE ARG A 124 19.553 3.790 -4.147 1.00 0.00 N ATOM 1900 CZ ARG A 124 19.551 2.694 -3.396 1.00 0.00 C ATOM 1901 NH1 ARG A 124 19.034 2.724 -2.197 1.00 0.00 N ATOM 1902 NH2 ARG A 124 20.068 1.587 -3.856 1.00 0.00 N ATOM 1903 OXT ARG A 124 15.616 8.430 -1.039 1.00 0.00 O ATOM 0 H ARG A 124 15.050 5.583 -2.337 1.00 0.00 H new ATOM 0 HA ARG A 124 17.727 6.651 -1.748 1.00 0.00 H new ATOM 0 HB2 ARG A 124 16.020 6.671 -4.283 1.00 0.00 H new ATOM 0 HB3 ARG A 124 17.666 7.261 -4.169 1.00 0.00 H new ATOM 0 HG2 ARG A 124 16.938 4.403 -3.382 1.00 0.00 H new ATOM 0 HG3 ARG A 124 17.332 4.825 -5.036 1.00 0.00 H new ATOM 0 HD2 ARG A 124 19.507 5.887 -4.109 1.00 0.00 H new ATOM 0 HD3 ARG A 124 19.126 5.119 -2.581 1.00 0.00 H new ATOM 0 HE ARG A 124 19.959 3.755 -5.082 1.00 0.00 H new ATOM 0 HH11 ARG A 124 18.631 3.589 -1.837 1.00 0.00 H new ATOM 0 HH12 ARG A 124 19.033 1.882 -1.621 1.00 0.00 H new ATOM 0 HH21 ARG A 124 20.473 1.564 -4.792 1.00 0.00 H new ATOM 0 HH22 ARG A 124 20.067 0.745 -3.280 1.00 0.00 H new TER 1917 ARG A 124 HETATM 1918 FE HEB A 125 4.440 -1.676 1.988 1.00 0.00 FE HETATM 1919 CHA HEB A 125 3.991 -1.624 5.343 1.00 0.00 C HETATM 1920 CHB HEB A 125 2.597 1.145 1.695 1.00 0.00 C HETATM 1921 CHC HEB A 125 4.913 -1.725 -1.369 1.00 0.00 C HETATM 1922 CHD HEB A 125 6.258 -4.518 2.277 1.00 0.00 C HETATM 1923 NA HEB A 125 3.504 -0.498 3.242 1.00 0.00 N HETATM 1924 C1A HEB A 125 3.413 -0.616 4.613 1.00 0.00 C HETATM 1925 C2A HEB A 125 2.626 0.451 5.187 1.00 0.00 C HETATM 1926 C3A HEB A 125 2.237 1.238 4.155 1.00 0.00 C HETATM 1927 C4A HEB A 125 2.780 0.641 2.958 1.00 0.00 C HETATM 1928 CMA HEB A 125 1.419 2.484 4.241 1.00 0.00 C HETATM 1929 CAA HEB A 125 2.293 0.636 6.631 1.00 0.00 C HETATM 1930 CBA HEB A 125 3.416 1.331 7.403 1.00 0.00 C HETATM 1931 CGA HEB A 125 3.115 1.307 8.898 1.00 0.00 C HETATM 1932 O1A HEB A 125 3.219 2.350 9.521 1.00 0.00 O HETATM 1933 O2A HEB A 125 2.786 0.244 9.399 1.00 0.00 O HETATM 1934 NB HEB A 125 3.878 -0.537 0.492 1.00 0.00 N HETATM 1935 C1B HEB A 125 3.104 0.602 0.544 1.00 0.00 C HETATM 1936 C2B HEB A 125 2.893 1.164 -0.762 1.00 0.00 C HETATM 1937 C3B HEB A 125 3.543 0.371 -1.643 1.00 0.00 C HETATM 1938 C4B HEB A 125 4.158 -0.691 -0.856 1.00 0.00 C HETATM 1939 CMB HEB A 125 2.100 2.384 -1.085 1.00 0.00 C HETATM 1940 CAB HEB A 125 3.568 0.560 -3.130 1.00 0.00 C HETATM 1941 CBB HEB A 125 2.161 0.603 -3.728 1.00 0.00 C HETATM 1942 NC HEB A 125 5.376 -2.854 0.737 1.00 0.00 N HETATM 1943 C1C HEB A 125 5.480 -2.733 -0.632 1.00 0.00 C HETATM 1944 C2C HEB A 125 6.257 -3.804 -1.200 1.00 0.00 C HETATM 1945 C3C HEB A 125 6.633 -4.595 -0.172 1.00 0.00 C HETATM 1946 C4C HEB A 125 6.086 -4.003 1.021 1.00 0.00 C HETATM 1947 CMC HEB A 125 6.584 -4.001 -2.640 1.00 0.00 C HETATM 1948 CAC HEB A 125 7.388 -5.747 -0.247 1.00 0.00 C HETATM 1949 CBC HEB A 125 6.941 -6.846 -0.954 1.00 0.00 C HETATM 1950 ND HEB A 125 5.001 -2.817 3.480 1.00 0.00 N HETATM 1951 C1D HEB A 125 5.754 -3.972 3.431 1.00 0.00 C HETATM 1952 C2D HEB A 125 5.954 -4.532 4.746 1.00 0.00 C HETATM 1953 C3D HEB A 125 5.323 -3.704 5.613 1.00 0.00 C HETATM 1954 C4D HEB A 125 4.734 -2.652 4.822 1.00 0.00 C HETATM 1955 CMD HEB A 125 6.690 -5.786 5.084 1.00 0.00 C HETATM 1956 CAD HEB A 125 5.265 -3.839 7.100 1.00 0.00 C HETATM 1957 CBD HEB A 125 3.958 -4.476 7.575 1.00 0.00 C HETATM 1958 CGD HEB A 125 3.684 -4.082 9.022 1.00 0.00 C HETATM 1959 O1D HEB A 125 4.191 -4.756 9.903 1.00 0.00 O HETATM 1960 O2D HEB A 125 2.972 -3.113 9.227 1.00 0.00 O HETATM 0 HMD3 HEB A 125 6.217 -6.632 4.585 1.00 0.00 H new HETATM 0 HMD2 HEB A 125 7.725 -5.701 4.752 1.00 0.00 H new HETATM 0 HMD1 HEB A 125 6.667 -5.942 6.163 1.00 0.00 H new HETATM 0 HMC3 HEB A 125 5.662 -4.106 -3.211 1.00 0.00 H new HETATM 0 HMC2 HEB A 125 7.142 -3.140 -3.007 1.00 0.00 H new HETATM 0 HMC1 HEB A 125 7.187 -4.901 -2.756 1.00 0.00 H new HETATM 0 HMB3 HEB A 125 1.068 2.243 -0.763 1.00 0.00 H new HETATM 0 HMB2 HEB A 125 2.528 3.243 -0.568 1.00 0.00 H new HETATM 0 HMB1 HEB A 125 2.124 2.559 -2.161 1.00 0.00 H new HETATM 0 HMA3 HEB A 125 0.451 2.254 4.685 1.00 0.00 H new HETATM 0 HMA2 HEB A 125 1.937 3.217 4.860 1.00 0.00 H new HETATM 0 HMA1 HEB A 125 1.272 2.892 3.241 1.00 0.00 H new HETATM 0 HBD2 HEB A 125 3.134 -4.153 6.939 1.00 0.00 H new HETATM 0 HBD1 HEB A 125 4.020 -5.561 7.490 1.00 0.00 H new HETATM 0 HBC2 HEB A 125 7.551 -7.748 -1.002 1.00 0.00 H new HETATM 0 HBC1 HEB A 125 5.978 -6.811 -1.464 1.00 0.00 H new HETATM 0 HBB3 HEB A 125 1.646 -0.333 -3.514 1.00 0.00 H new HETATM 0 HBB2 HEB A 125 1.605 1.432 -3.290 1.00 0.00 H new HETATM 0 HBB1 HEB A 125 2.228 0.741 -4.807 1.00 0.00 H new HETATM 0 HBA2 HEB A 125 4.365 0.833 7.207 1.00 0.00 H new HETATM 0 HBA1 HEB A 125 3.520 2.361 7.061 1.00 0.00 H new HETATM 0 HAD2 HEB A 125 6.106 -4.443 7.441 1.00 0.00 H new HETATM 0 HAD1 HEB A 125 5.374 -2.855 7.556 1.00 0.00 H new HETATM 0 HAA2 HEB A 125 1.379 1.223 6.718 1.00 0.00 H new HETATM 0 HAA1 HEB A 125 2.093 -0.336 7.082 1.00 0.00 H new HETATM 0 HHD HEB A 125 6.841 -5.434 2.368 1.00 0.00 H new HETATM 0 HHC HEB A 125 5.072 -1.742 -2.447 1.00 0.00 H new HETATM 0 HHB HEB A 125 1.999 2.052 1.600 1.00 0.00 H new HETATM 0 HHA HEB A 125 3.848 -1.606 6.423 1.00 0.00 H new HETATM 0 HAC HEB A 125 8.352 -5.791 0.259 1.00 0.00 H new HETATM 0 HAB HEB A 125 4.132 -0.252 -3.589 1.00 0.00 H new