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 96 GLN : amide:sc= -0.177 K(o=-0.94,f=-3.2!) USER MOD Set 1.2: A 102 GLN : amide:sc= -0.76 K(o=-0.94,f=-2.8) USER MOD Set 2.1: A 80 THR OG1 : rot -8:sc= -0.974! USER MOD Set 2.2: A 83 HIS : no HD1:sc= 1.96 K(o=0.99,f=-9.7!) USER MOD Set 3.1: A 22 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 43 GLN : amide:sc= -1.92! K(o=-1.9!,f=0) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -127:sc= -0.0924 (180deg=-1.96!) USER MOD Single : A 24 LYS NZ :NH3+ -173:sc= -5.73! (180deg=-5.86!) USER MOD Single : A 32 ASN : amide:sc= -0.885 K(o=-0.89,f=-2.9!) USER MOD Single : A 37 ASN : amide:sc=-0.00336 K(o=-0.0034,f=-1.5!) USER MOD Single : A 38 THR OG1 : rot 180: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 44 LYS NZ :NH3+ -153:sc= -0.206 (180deg=-1.37!) USER MOD Single : A 45 GLN : amide:sc= -0.146 X(o=-0.15,f=-0.16) USER MOD Single : A 47 GLN : amide:sc= -11.9! C(o=-12!,f=-22!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 MET CE :methyl -116:sc= -0.801 (180deg=-3.6!) USER MOD Single : A 52 THR OG1 : rot 102:sc= 1.16 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 -75:sc= 0.504 USER MOD Single : A 66 MET CE :methyl -128:sc= -0.814 (180deg=-1.62!) USER MOD Single : A 71 GLN : amide:sc= 0 K(o=0,f=-1.9!) USER MOD Single : A 76 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 90 ASN : amide:sc= -0.774 K(o=-0.77,f=-1.8!) USER MOD Single : A 94 THR OG1 : rot 86:sc= 0.456 USER MOD Single : A 99 ASN : amide:sc= -0.115 K(o=-0.12,f=-2.2!) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot 75:sc= 0.147 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 116 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 119 ASN : amide:sc= -3.5! C(o=-3.5!,f=-3.3!) USER MOD Single : A 123 ASN : amide:sc= -0.601 K(o=-0.6,f=-2!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -11.566 7.540 4.669 1.00 0.00 N ATOM 2 CA ALA A 2 -11.591 6.672 5.880 1.00 0.00 C ATOM 3 C ALA A 2 -11.140 5.266 5.504 1.00 0.00 C ATOM 4 O ALA A 2 -9.975 4.908 5.682 1.00 0.00 O ATOM 5 CB ALA A 2 -13.014 6.632 6.444 1.00 0.00 C ATOM 0 HA ALA A 2 -10.916 7.073 6.636 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -13.036 5.998 7.330 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -13.328 7.641 6.712 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -13.692 6.229 5.692 1.00 0.00 H new ATOM 13 N SER A 3 -12.071 4.471 4.987 1.00 0.00 N ATOM 14 CA SER A 3 -11.761 3.102 4.589 1.00 0.00 C ATOM 15 C SER A 3 -12.161 2.858 3.138 1.00 0.00 C ATOM 16 O SER A 3 -13.122 3.444 2.641 1.00 0.00 O ATOM 17 CB SER A 3 -12.499 2.117 5.496 1.00 0.00 C ATOM 18 OG SER A 3 -12.098 0.792 5.173 1.00 0.00 O ATOM 0 H SER A 3 -13.041 4.748 4.834 1.00 0.00 H new ATOM 0 HA SER A 3 -10.686 2.951 4.685 1.00 0.00 H new ATOM 0 HB2 SER A 3 -12.278 2.332 6.542 1.00 0.00 H new ATOM 0 HB3 SER A 3 -13.576 2.225 5.369 1.00 0.00 H new ATOM 0 HG SER A 3 -12.568 0.157 5.754 1.00 0.00 H new ATOM 24 N LEU A 4 -11.418 1.986 2.465 1.00 0.00 N ATOM 25 CA LEU A 4 -11.704 1.666 1.071 1.00 0.00 C ATOM 26 C LEU A 4 -13.152 1.211 0.922 1.00 0.00 C ATOM 27 O LEU A 4 -13.801 1.486 -0.088 1.00 0.00 O ATOM 28 CB LEU A 4 -10.764 0.557 0.586 1.00 0.00 C ATOM 29 CG LEU A 4 -10.960 0.322 -0.917 1.00 0.00 C ATOM 30 CD1 LEU A 4 -10.286 1.440 -1.717 1.00 0.00 C ATOM 31 CD2 LEU A 4 -10.337 -1.023 -1.302 1.00 0.00 C ATOM 0 H LEU A 4 -10.618 1.491 2.859 1.00 0.00 H new ATOM 0 HA LEU A 4 -11.548 2.560 0.468 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -9.729 0.833 0.787 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -10.961 -0.364 1.135 1.00 0.00 H new ATOM 0 HG LEU A 4 -12.026 0.316 -1.142 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -10.431 1.263 -2.783 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -10.727 2.399 -1.445 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -9.219 1.455 -1.494 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -10.474 -1.195 -2.370 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -9.272 -1.010 -1.070 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -10.821 -1.822 -0.741 1.00 0.00 H new ATOM 43 N TYR A 5 -13.651 0.512 1.935 1.00 0.00 N ATOM 44 CA TYR A 5 -15.023 0.018 1.910 1.00 0.00 C ATOM 45 C TYR A 5 -16.002 1.141 1.587 1.00 0.00 C ATOM 46 O TYR A 5 -16.937 0.955 0.808 1.00 0.00 O ATOM 47 CB TYR A 5 -15.373 -0.593 3.269 1.00 0.00 C ATOM 48 CG TYR A 5 -16.872 -0.616 3.452 1.00 0.00 C ATOM 49 CD1 TYR A 5 -17.707 -0.997 2.395 1.00 0.00 C ATOM 50 CD2 TYR A 5 -17.427 -0.252 4.685 1.00 0.00 C ATOM 51 CE1 TYR A 5 -19.097 -1.013 2.572 1.00 0.00 C ATOM 52 CE2 TYR A 5 -18.816 -0.267 4.860 1.00 0.00 C ATOM 53 CZ TYR A 5 -19.651 -0.649 3.803 1.00 0.00 C ATOM 54 OH TYR A 5 -21.020 -0.664 3.977 1.00 0.00 O ATOM 0 H TYR A 5 -13.130 0.275 2.779 1.00 0.00 H new ATOM 0 HA TYR A 5 -15.101 -0.741 1.132 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -14.974 -1.605 3.336 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -14.909 -0.014 4.068 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -17.280 -1.278 1.444 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -16.783 0.040 5.501 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -19.741 -1.307 1.756 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -19.243 0.016 5.811 1.00 0.00 H new ATOM 0 HH TYR A 5 -21.237 -0.385 4.891 1.00 0.00 H new ATOM 64 N GLU A 6 -15.785 2.304 2.189 1.00 0.00 N ATOM 65 CA GLU A 6 -16.662 3.446 1.953 1.00 0.00 C ATOM 66 C GLU A 6 -16.621 3.868 0.488 1.00 0.00 C ATOM 67 O GLU A 6 -17.643 4.242 -0.088 1.00 0.00 O ATOM 68 CB GLU A 6 -16.234 4.621 2.835 1.00 0.00 C ATOM 69 CG GLU A 6 -17.235 5.767 2.683 1.00 0.00 C ATOM 70 CD GLU A 6 -16.762 6.980 3.476 1.00 0.00 C ATOM 71 OE1 GLU A 6 -15.700 6.897 4.071 1.00 0.00 O ATOM 72 OE2 GLU A 6 -17.468 7.975 3.476 1.00 0.00 O ATOM 0 H GLU A 6 -15.018 2.481 2.838 1.00 0.00 H new ATOM 0 HA GLU A 6 -17.681 3.152 2.203 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -16.181 4.306 3.877 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -15.236 4.956 2.553 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -17.343 6.030 1.631 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -18.217 5.452 3.035 1.00 0.00 H new ATOM 79 N LYS A 7 -15.434 3.814 -0.109 1.00 0.00 N ATOM 80 CA LYS A 7 -15.276 4.203 -1.507 1.00 0.00 C ATOM 81 C LYS A 7 -16.062 3.275 -2.429 1.00 0.00 C ATOM 82 O LYS A 7 -16.865 3.730 -3.244 1.00 0.00 O ATOM 83 CB LYS A 7 -13.795 4.166 -1.890 1.00 0.00 C ATOM 84 CG LYS A 7 -13.029 5.210 -1.076 1.00 0.00 C ATOM 85 CD LYS A 7 -11.571 5.249 -1.539 1.00 0.00 C ATOM 86 CE LYS A 7 -10.774 6.198 -0.641 1.00 0.00 C ATOM 87 NZ LYS A 7 -10.187 7.289 -1.469 1.00 0.00 N ATOM 0 H LYS A 7 -14.575 3.508 0.348 1.00 0.00 H new ATOM 0 HA LYS A 7 -15.664 5.215 -1.623 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -13.386 3.173 -1.704 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -13.679 4.364 -2.956 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -13.487 6.191 -1.200 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -13.078 4.967 -0.015 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -11.140 4.249 -1.502 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -11.517 5.581 -2.576 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -11.422 6.619 0.128 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -9.983 5.651 -0.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -9.645 7.934 -0.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -9.556 6.879 -2.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -10.950 7.816 -1.940 1.00 0.00 H new ATOM 101 N LEU A 8 -15.825 1.973 -2.297 1.00 0.00 N ATOM 102 CA LEU A 8 -16.518 0.994 -3.130 1.00 0.00 C ATOM 103 C LEU A 8 -17.995 0.916 -2.759 1.00 0.00 C ATOM 104 O LEU A 8 -18.853 0.743 -3.625 1.00 0.00 O ATOM 105 CB LEU A 8 -15.871 -0.384 -2.965 1.00 0.00 C ATOM 106 CG LEU A 8 -14.384 -0.307 -3.330 1.00 0.00 C ATOM 107 CD1 LEU A 8 -13.762 -1.701 -3.239 1.00 0.00 C ATOM 108 CD2 LEU A 8 -14.230 0.221 -4.758 1.00 0.00 C ATOM 0 H LEU A 8 -15.166 1.574 -1.629 1.00 0.00 H new ATOM 0 HA LEU A 8 -16.437 1.311 -4.170 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -15.985 -0.729 -1.937 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -16.374 -1.111 -3.603 1.00 0.00 H new ATOM 0 HG LEU A 8 -13.879 0.366 -2.637 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -12.705 -1.645 -3.499 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -13.867 -2.080 -2.223 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -14.271 -2.372 -3.931 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -13.172 0.274 -5.014 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -14.738 -0.450 -5.451 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -14.671 1.215 -4.828 1.00 0.00 H new ATOM 120 N GLY A 9 -18.285 1.044 -1.468 1.00 0.00 N ATOM 121 CA GLY A 9 -19.664 0.985 -0.997 1.00 0.00 C ATOM 122 C GLY A 9 -20.065 -0.450 -0.668 1.00 0.00 C ATOM 123 O GLY A 9 -21.226 -0.725 -0.360 1.00 0.00 O ATOM 0 H GLY A 9 -17.590 1.188 -0.735 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -19.777 1.611 -0.112 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -20.331 1.388 -1.760 1.00 0.00 H new ATOM 127 N GLY A 10 -19.099 -1.360 -0.734 1.00 0.00 N ATOM 128 CA GLY A 10 -19.362 -2.765 -0.440 1.00 0.00 C ATOM 129 C GLY A 10 -18.201 -3.381 0.333 1.00 0.00 C ATOM 130 O GLY A 10 -17.209 -3.810 -0.255 1.00 0.00 O ATOM 0 H GLY A 10 -18.133 -1.152 -0.987 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -20.280 -2.854 0.141 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -19.518 -3.313 -1.369 1.00 0.00 H new ATOM 134 N ALA A 11 -18.330 -3.415 1.656 1.00 0.00 N ATOM 135 CA ALA A 11 -17.281 -3.977 2.500 1.00 0.00 C ATOM 136 C ALA A 11 -17.080 -5.457 2.196 1.00 0.00 C ATOM 137 O ALA A 11 -15.954 -5.955 2.207 1.00 0.00 O ATOM 138 CB ALA A 11 -17.647 -3.801 3.975 1.00 0.00 C ATOM 0 H ALA A 11 -19.142 -3.064 2.163 1.00 0.00 H new ATOM 0 HA ALA A 11 -16.352 -3.448 2.291 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -16.859 -4.223 4.598 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -17.757 -2.740 4.198 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -18.586 -4.314 4.181 1.00 0.00 H new ATOM 144 N ALA A 12 -18.177 -6.156 1.925 1.00 0.00 N ATOM 145 CA ALA A 12 -18.102 -7.579 1.619 1.00 0.00 C ATOM 146 C ALA A 12 -17.323 -7.807 0.329 1.00 0.00 C ATOM 147 O ALA A 12 -16.522 -8.735 0.232 1.00 0.00 O ATOM 148 CB ALA A 12 -19.511 -8.158 1.475 1.00 0.00 C ATOM 0 H ALA A 12 -19.119 -5.765 1.911 1.00 0.00 H new ATOM 0 HA ALA A 12 -17.586 -8.081 2.437 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -19.446 -9.222 1.246 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -20.058 -8.020 2.408 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -20.034 -7.645 0.668 1.00 0.00 H new ATOM 154 N ALA A 13 -17.562 -6.952 -0.659 1.00 0.00 N ATOM 155 CA ALA A 13 -16.874 -7.069 -1.939 1.00 0.00 C ATOM 156 C ALA A 13 -15.377 -6.826 -1.770 1.00 0.00 C ATOM 157 O ALA A 13 -14.557 -7.435 -2.455 1.00 0.00 O ATOM 158 CB ALA A 13 -17.446 -6.057 -2.934 1.00 0.00 C ATOM 0 H ALA A 13 -18.222 -6.176 -0.599 1.00 0.00 H new ATOM 0 HA ALA A 13 -17.026 -8.079 -2.319 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -16.927 -6.151 -3.888 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -18.509 -6.250 -3.079 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -17.311 -5.048 -2.545 1.00 0.00 H new ATOM 164 N VAL A 14 -15.031 -5.927 -0.854 1.00 0.00 N ATOM 165 CA VAL A 14 -13.631 -5.604 -0.605 1.00 0.00 C ATOM 166 C VAL A 14 -12.877 -6.823 -0.086 1.00 0.00 C ATOM 167 O VAL A 14 -11.763 -7.110 -0.525 1.00 0.00 O ATOM 168 CB VAL A 14 -13.534 -4.472 0.417 1.00 0.00 C ATOM 169 CG1 VAL A 14 -12.064 -4.205 0.750 1.00 0.00 C ATOM 170 CG2 VAL A 14 -14.163 -3.204 -0.165 1.00 0.00 C ATOM 0 H VAL A 14 -15.695 -5.413 -0.276 1.00 0.00 H new ATOM 0 HA VAL A 14 -13.180 -5.289 -1.546 1.00 0.00 H new ATOM 0 HB VAL A 14 -14.065 -4.758 1.325 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -11.997 -3.397 1.479 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -11.615 -5.107 1.166 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -11.531 -3.920 -0.157 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -14.094 -2.396 0.564 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -13.633 -2.919 -1.074 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -15.211 -3.392 -0.400 1.00 0.00 H new ATOM 180 N ASP A 15 -13.487 -7.537 0.856 1.00 0.00 N ATOM 181 CA ASP A 15 -12.857 -8.720 1.429 1.00 0.00 C ATOM 182 C ASP A 15 -12.622 -9.785 0.361 1.00 0.00 C ATOM 183 O ASP A 15 -11.570 -10.421 0.330 1.00 0.00 O ATOM 184 CB ASP A 15 -13.739 -9.294 2.539 1.00 0.00 C ATOM 185 CG ASP A 15 -13.802 -8.318 3.710 1.00 0.00 C ATOM 186 OD1 ASP A 15 -13.009 -7.392 3.727 1.00 0.00 O ATOM 187 OD2 ASP A 15 -14.644 -8.511 4.573 1.00 0.00 O ATOM 0 H ASP A 15 -14.408 -7.319 1.235 1.00 0.00 H new ATOM 0 HA ASP A 15 -11.893 -8.425 1.843 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -14.742 -9.482 2.157 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -13.340 -10.252 2.874 1.00 0.00 H new ATOM 192 N LEU A 16 -13.607 -9.973 -0.513 1.00 0.00 N ATOM 193 CA LEU A 16 -13.488 -10.966 -1.576 1.00 0.00 C ATOM 194 C LEU A 16 -12.362 -10.597 -2.535 1.00 0.00 C ATOM 195 O LEU A 16 -11.612 -11.463 -2.987 1.00 0.00 O ATOM 196 CB LEU A 16 -14.807 -11.073 -2.348 1.00 0.00 C ATOM 197 CG LEU A 16 -15.708 -12.132 -1.704 1.00 0.00 C ATOM 198 CD1 LEU A 16 -15.148 -13.527 -1.987 1.00 0.00 C ATOM 199 CD2 LEU A 16 -15.775 -11.911 -0.189 1.00 0.00 C ATOM 0 H LEU A 16 -14.487 -9.457 -0.507 1.00 0.00 H new ATOM 0 HA LEU A 16 -13.258 -11.929 -1.119 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -15.314 -10.108 -2.354 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -14.609 -11.336 -3.387 1.00 0.00 H new ATOM 0 HG LEU A 16 -16.710 -12.048 -2.126 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -15.791 -14.277 -1.527 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -15.110 -13.692 -3.064 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -14.143 -13.607 -1.572 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -16.417 -12.668 0.261 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -14.773 -11.987 0.234 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -16.182 -10.921 0.017 1.00 0.00 H new ATOM 211 N ALA A 17 -12.247 -9.310 -2.843 1.00 0.00 N ATOM 212 CA ALA A 17 -11.205 -8.845 -3.749 1.00 0.00 C ATOM 213 C ALA A 17 -9.825 -9.086 -3.148 1.00 0.00 C ATOM 214 O ALA A 17 -8.874 -9.418 -3.856 1.00 0.00 O ATOM 215 CB ALA A 17 -11.385 -7.352 -4.032 1.00 0.00 C ATOM 0 H ALA A 17 -12.857 -8.576 -2.482 1.00 0.00 H new ATOM 0 HA ALA A 17 -11.286 -9.404 -4.681 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -10.602 -7.013 -4.710 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -12.360 -7.183 -4.490 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -11.322 -6.794 -3.098 1.00 0.00 H new ATOM 221 N VAL A 18 -9.724 -8.914 -1.834 1.00 0.00 N ATOM 222 CA VAL A 18 -8.457 -9.111 -1.140 1.00 0.00 C ATOM 223 C VAL A 18 -8.006 -10.565 -1.230 1.00 0.00 C ATOM 224 O VAL A 18 -6.818 -10.847 -1.391 1.00 0.00 O ATOM 225 CB VAL A 18 -8.601 -8.711 0.329 1.00 0.00 C ATOM 226 CG1 VAL A 18 -7.323 -9.078 1.085 1.00 0.00 C ATOM 227 CG2 VAL A 18 -8.832 -7.201 0.425 1.00 0.00 C ATOM 0 H VAL A 18 -10.500 -8.640 -1.231 1.00 0.00 H new ATOM 0 HA VAL A 18 -7.705 -8.484 -1.619 1.00 0.00 H new ATOM 0 HB VAL A 18 -9.448 -9.238 0.768 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -7.425 -8.793 2.132 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -7.155 -10.153 1.016 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -6.476 -8.550 0.646 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -8.935 -6.914 1.472 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -7.984 -6.675 -0.014 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -9.742 -6.937 -0.114 1.00 0.00 H new ATOM 237 N GLU A 19 -8.958 -11.488 -1.118 1.00 0.00 N ATOM 238 CA GLU A 19 -8.638 -12.909 -1.180 1.00 0.00 C ATOM 239 C GLU A 19 -8.028 -13.273 -2.531 1.00 0.00 C ATOM 240 O GLU A 19 -7.092 -14.069 -2.602 1.00 0.00 O ATOM 241 CB GLU A 19 -9.903 -13.741 -0.954 1.00 0.00 C ATOM 242 CG GLU A 19 -10.416 -13.527 0.472 1.00 0.00 C ATOM 243 CD GLU A 19 -9.385 -14.025 1.480 1.00 0.00 C ATOM 244 OE1 GLU A 19 -8.520 -14.787 1.084 1.00 0.00 O ATOM 245 OE2 GLU A 19 -9.478 -13.636 2.633 1.00 0.00 O ATOM 0 H GLU A 19 -9.948 -11.279 -0.985 1.00 0.00 H new ATOM 0 HA GLU A 19 -7.911 -13.126 -0.398 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -10.671 -13.455 -1.673 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -9.689 -14.797 -1.119 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -10.618 -12.469 0.639 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -11.358 -14.057 0.611 1.00 0.00 H new ATOM 252 N LYS A 20 -8.558 -12.686 -3.599 1.00 0.00 N ATOM 253 CA LYS A 20 -8.045 -12.965 -4.937 1.00 0.00 C ATOM 254 C LYS A 20 -6.594 -12.511 -5.052 1.00 0.00 C ATOM 255 O LYS A 20 -5.746 -13.235 -5.575 1.00 0.00 O ATOM 256 CB LYS A 20 -8.891 -12.240 -5.987 1.00 0.00 C ATOM 257 CG LYS A 20 -10.365 -12.635 -5.843 1.00 0.00 C ATOM 258 CD LYS A 20 -10.548 -14.115 -6.191 1.00 0.00 C ATOM 259 CE LYS A 20 -12.029 -14.392 -6.457 1.00 0.00 C ATOM 260 NZ LYS A 20 -12.258 -14.503 -7.925 1.00 0.00 N ATOM 0 H LYS A 20 -9.332 -12.023 -3.567 1.00 0.00 H new ATOM 0 HA LYS A 20 -8.098 -14.040 -5.110 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -8.783 -11.162 -5.871 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -8.536 -12.490 -6.987 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -10.702 -12.449 -4.823 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -10.980 -12.020 -6.499 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -9.955 -14.370 -7.069 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -10.191 -14.740 -5.373 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -12.332 -15.313 -5.960 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -12.640 -13.590 -6.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -13.022 -13.857 -8.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -11.386 -14.250 -8.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -12.526 -15.480 -8.162 1.00 0.00 H new ATOM 274 N PHE A 21 -6.316 -11.310 -4.557 1.00 0.00 N ATOM 275 CA PHE A 21 -4.964 -10.767 -4.605 1.00 0.00 C ATOM 276 C PHE A 21 -4.032 -11.555 -3.690 1.00 0.00 C ATOM 277 O PHE A 21 -2.902 -11.870 -4.063 1.00 0.00 O ATOM 278 CB PHE A 21 -4.979 -9.293 -4.195 1.00 0.00 C ATOM 279 CG PHE A 21 -3.595 -8.708 -4.348 1.00 0.00 C ATOM 280 CD1 PHE A 21 -3.022 -8.588 -5.620 1.00 0.00 C ATOM 281 CD2 PHE A 21 -2.883 -8.286 -3.219 1.00 0.00 C ATOM 282 CE1 PHE A 21 -1.737 -8.047 -5.761 1.00 0.00 C ATOM 283 CE2 PHE A 21 -1.600 -7.745 -3.361 1.00 0.00 C ATOM 284 CZ PHE A 21 -1.028 -7.625 -4.633 1.00 0.00 C ATOM 0 H PHE A 21 -7.005 -10.697 -4.120 1.00 0.00 H new ATOM 0 HA PHE A 21 -4.594 -10.851 -5.627 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -5.688 -8.741 -4.812 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -5.313 -9.196 -3.162 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -3.570 -8.912 -6.492 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -3.324 -8.378 -2.237 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -1.294 -7.956 -6.742 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -1.051 -7.420 -2.489 1.00 0.00 H new ATOM 0 HZ PHE A 21 -0.039 -7.206 -4.743 1.00 0.00 H new ATOM 294 N TYR A 22 -4.512 -11.869 -2.491 1.00 0.00 N ATOM 295 CA TYR A 22 -3.709 -12.620 -1.532 1.00 0.00 C ATOM 296 C TYR A 22 -3.276 -13.959 -2.117 1.00 0.00 C ATOM 297 O TYR A 22 -2.124 -14.368 -1.965 1.00 0.00 O ATOM 298 CB TYR A 22 -4.510 -12.861 -0.252 1.00 0.00 C ATOM 299 CG TYR A 22 -3.662 -13.632 0.734 1.00 0.00 C ATOM 300 CD1 TYR A 22 -2.729 -12.961 1.533 1.00 0.00 C ATOM 301 CD2 TYR A 22 -3.808 -15.020 0.843 1.00 0.00 C ATOM 302 CE1 TYR A 22 -1.944 -13.678 2.443 1.00 0.00 C ATOM 303 CE2 TYR A 22 -3.021 -15.737 1.753 1.00 0.00 C ATOM 304 CZ TYR A 22 -2.089 -15.066 2.552 1.00 0.00 C ATOM 305 OH TYR A 22 -1.314 -15.773 3.450 1.00 0.00 O ATOM 0 H TYR A 22 -5.444 -11.618 -2.162 1.00 0.00 H new ATOM 0 HA TYR A 22 -2.820 -12.033 -1.302 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -4.818 -11.910 0.182 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -5.420 -13.417 -0.479 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -2.615 -11.890 1.447 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -4.527 -15.538 0.226 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -1.226 -13.160 3.062 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -3.134 -16.808 1.838 1.00 0.00 H new ATOM 0 HH TYR A 22 -1.541 -16.725 3.400 1.00 0.00 H new ATOM 315 N GLY A 23 -4.200 -14.638 -2.786 1.00 0.00 N ATOM 316 CA GLY A 23 -3.890 -15.929 -3.387 1.00 0.00 C ATOM 317 C GLY A 23 -2.740 -15.801 -4.377 1.00 0.00 C ATOM 318 O GLY A 23 -1.822 -16.621 -4.389 1.00 0.00 O ATOM 0 H GLY A 23 -5.159 -14.321 -2.925 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -3.627 -16.645 -2.608 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.772 -16.320 -3.895 1.00 0.00 H new ATOM 322 N LYS A 24 -2.796 -14.764 -5.205 1.00 0.00 N ATOM 323 CA LYS A 24 -1.751 -14.532 -6.194 1.00 0.00 C ATOM 324 C LYS A 24 -0.424 -14.218 -5.510 1.00 0.00 C ATOM 325 O LYS A 24 0.636 -14.665 -5.950 1.00 0.00 O ATOM 326 CB LYS A 24 -2.146 -13.368 -7.105 1.00 0.00 C ATOM 327 CG LYS A 24 -1.227 -13.342 -8.328 1.00 0.00 C ATOM 328 CD LYS A 24 -1.820 -14.222 -9.432 1.00 0.00 C ATOM 329 CE LYS A 24 -3.114 -13.594 -9.957 1.00 0.00 C ATOM 330 NZ LYS A 24 -4.285 -14.355 -9.435 1.00 0.00 N ATOM 0 H LYS A 24 -3.548 -14.075 -5.211 1.00 0.00 H new ATOM 0 HA LYS A 24 -1.633 -15.437 -6.790 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -3.184 -13.475 -7.419 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -2.073 -12.426 -6.562 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -1.111 -12.319 -8.687 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -0.234 -13.700 -8.057 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -1.103 -14.333 -10.245 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -2.021 -15.221 -9.045 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -3.177 -12.551 -9.646 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -3.118 -13.602 -11.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -5.155 -14.004 -9.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -4.167 -15.365 -9.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -4.351 -14.227 -8.405 1.00 0.00 H new ATOM 344 N VAL A 25 -0.492 -13.436 -4.436 1.00 0.00 N ATOM 345 CA VAL A 25 0.707 -13.054 -3.697 1.00 0.00 C ATOM 346 C VAL A 25 1.389 -14.273 -3.081 1.00 0.00 C ATOM 347 O VAL A 25 2.609 -14.414 -3.154 1.00 0.00 O ATOM 348 CB VAL A 25 0.336 -12.068 -2.588 1.00 0.00 C ATOM 349 CG1 VAL A 25 1.559 -11.803 -1.708 1.00 0.00 C ATOM 350 CG2 VAL A 25 -0.137 -10.753 -3.213 1.00 0.00 C ATOM 0 H VAL A 25 -1.361 -13.056 -4.060 1.00 0.00 H new ATOM 0 HA VAL A 25 1.401 -12.587 -4.396 1.00 0.00 H new ATOM 0 HB VAL A 25 -0.463 -12.491 -1.979 1.00 0.00 H new ATOM 0 HG11 VAL A 25 1.294 -11.100 -0.918 1.00 0.00 H new ATOM 0 HG12 VAL A 25 1.897 -12.739 -1.263 1.00 0.00 H new ATOM 0 HG13 VAL A 25 2.360 -11.381 -2.315 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.402 -10.049 -2.424 1.00 0.00 H new ATOM 0 HG22 VAL A 25 0.663 -10.331 -3.822 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.009 -10.941 -3.839 1.00 0.00 H new ATOM 360 N LEU A 26 0.596 -15.150 -2.473 1.00 0.00 N ATOM 361 CA LEU A 26 1.140 -16.348 -1.844 1.00 0.00 C ATOM 362 C LEU A 26 1.632 -17.333 -2.901 1.00 0.00 C ATOM 363 O LEU A 26 2.571 -18.094 -2.665 1.00 0.00 O ATOM 364 CB LEU A 26 0.077 -17.002 -0.946 1.00 0.00 C ATOM 365 CG LEU A 26 -0.641 -18.138 -1.690 1.00 0.00 C ATOM 366 CD1 LEU A 26 0.227 -19.403 -1.701 1.00 0.00 C ATOM 367 CD2 LEU A 26 -1.962 -18.449 -0.980 1.00 0.00 C ATOM 0 H LEU A 26 -0.417 -15.055 -2.403 1.00 0.00 H new ATOM 0 HA LEU A 26 1.991 -16.062 -1.225 1.00 0.00 H new ATOM 0 HB2 LEU A 26 0.547 -17.392 -0.043 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -0.649 -16.253 -0.629 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.827 -17.824 -2.717 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.296 -20.198 -2.232 1.00 0.00 H new ATOM 0 HD12 LEU A 26 1.171 -19.192 -2.203 1.00 0.00 H new ATOM 0 HD13 LEU A 26 0.423 -19.719 -0.676 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.476 -19.255 -1.504 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.760 -18.755 0.047 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.591 -17.559 -0.977 1.00 0.00 H new ATOM 379 N ALA A 27 0.993 -17.313 -4.066 1.00 0.00 N ATOM 380 CA ALA A 27 1.375 -18.211 -5.147 1.00 0.00 C ATOM 381 C ALA A 27 2.834 -17.996 -5.536 1.00 0.00 C ATOM 382 O ALA A 27 3.541 -18.945 -5.876 1.00 0.00 O ATOM 383 CB ALA A 27 0.479 -17.972 -6.364 1.00 0.00 C ATOM 0 H ALA A 27 0.215 -16.690 -4.284 1.00 0.00 H new ATOM 0 HA ALA A 27 1.253 -19.237 -4.801 1.00 0.00 H new ATOM 0 HB1 ALA A 27 0.770 -18.647 -7.169 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -0.560 -18.158 -6.093 1.00 0.00 H new ATOM 0 HB3 ALA A 27 0.588 -16.940 -6.699 1.00 0.00 H new ATOM 389 N ASP A 28 3.283 -16.746 -5.478 1.00 0.00 N ATOM 390 CA ASP A 28 4.665 -16.426 -5.823 1.00 0.00 C ATOM 391 C ASP A 28 5.567 -16.580 -4.601 1.00 0.00 C ATOM 392 O ASP A 28 5.453 -15.826 -3.637 1.00 0.00 O ATOM 393 CB ASP A 28 4.754 -14.992 -6.350 1.00 0.00 C ATOM 394 CG ASP A 28 6.169 -14.707 -6.838 1.00 0.00 C ATOM 395 OD1 ASP A 28 6.966 -15.630 -6.858 1.00 0.00 O ATOM 396 OD2 ASP A 28 6.435 -13.567 -7.186 1.00 0.00 O ATOM 0 H ASP A 28 2.717 -15.945 -5.198 1.00 0.00 H new ATOM 0 HA ASP A 28 4.998 -17.116 -6.598 1.00 0.00 H new ATOM 0 HB2 ASP A 28 4.043 -14.850 -7.164 1.00 0.00 H new ATOM 0 HB3 ASP A 28 4.482 -14.288 -5.563 1.00 0.00 H new ATOM 401 N GLU A 29 6.461 -17.560 -4.651 1.00 0.00 N ATOM 402 CA GLU A 29 7.377 -17.805 -3.542 1.00 0.00 C ATOM 403 C GLU A 29 8.480 -16.750 -3.500 1.00 0.00 C ATOM 404 O GLU A 29 9.116 -16.547 -2.466 1.00 0.00 O ATOM 405 CB GLU A 29 7.999 -19.197 -3.678 1.00 0.00 C ATOM 406 CG GLU A 29 9.019 -19.201 -4.818 1.00 0.00 C ATOM 407 CD GLU A 29 9.493 -20.625 -5.088 1.00 0.00 C ATOM 408 OE1 GLU A 29 10.214 -21.156 -4.260 1.00 0.00 O ATOM 409 OE2 GLU A 29 9.126 -21.165 -6.119 1.00 0.00 O ATOM 0 H GLU A 29 6.572 -18.195 -5.442 1.00 0.00 H new ATOM 0 HA GLU A 29 6.810 -17.748 -2.613 1.00 0.00 H new ATOM 0 HB2 GLU A 29 8.483 -19.482 -2.744 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.221 -19.935 -3.872 1.00 0.00 H new ATOM 0 HG2 GLU A 29 8.572 -18.781 -5.719 1.00 0.00 H new ATOM 0 HG3 GLU A 29 9.869 -18.569 -4.559 1.00 0.00 H new ATOM 416 N ARG A 30 8.709 -16.090 -4.631 1.00 0.00 N ATOM 417 CA ARG A 30 9.749 -15.069 -4.710 1.00 0.00 C ATOM 418 C ARG A 30 9.526 -13.971 -3.672 1.00 0.00 C ATOM 419 O ARG A 30 10.475 -13.500 -3.046 1.00 0.00 O ATOM 420 CB ARG A 30 9.764 -14.452 -6.109 1.00 0.00 C ATOM 421 CG ARG A 30 10.157 -15.518 -7.133 1.00 0.00 C ATOM 422 CD ARG A 30 10.281 -14.877 -8.516 1.00 0.00 C ATOM 423 NE ARG A 30 9.032 -14.216 -8.879 1.00 0.00 N ATOM 424 CZ ARG A 30 9.005 -13.263 -9.805 1.00 0.00 C ATOM 425 NH1 ARG A 30 10.105 -12.907 -10.408 1.00 0.00 N ATOM 426 NH2 ARG A 30 7.876 -12.683 -10.111 1.00 0.00 N ATOM 0 H ARG A 30 8.194 -16.241 -5.498 1.00 0.00 H new ATOM 0 HA ARG A 30 10.707 -15.546 -4.505 1.00 0.00 H new ATOM 0 HB2 ARG A 30 8.781 -14.046 -6.350 1.00 0.00 H new ATOM 0 HB3 ARG A 30 10.469 -13.621 -6.144 1.00 0.00 H new ATOM 0 HG2 ARG A 30 11.103 -15.979 -6.848 1.00 0.00 H new ATOM 0 HG3 ARG A 30 9.409 -16.311 -7.154 1.00 0.00 H new ATOM 0 HD2 ARG A 30 11.097 -14.155 -8.518 1.00 0.00 H new ATOM 0 HD3 ARG A 30 10.527 -15.638 -9.257 1.00 0.00 H new ATOM 0 HE ARG A 30 8.166 -14.490 -8.415 1.00 0.00 H new ATOM 0 HH11 ARG A 30 10.987 -13.360 -10.169 1.00 0.00 H new ATOM 0 HH12 ARG A 30 10.083 -12.176 -11.119 1.00 0.00 H new ATOM 0 HH21 ARG A 30 7.015 -12.961 -9.639 1.00 0.00 H new ATOM 0 HH22 ARG A 30 7.855 -11.952 -10.822 1.00 0.00 H new ATOM 440 N VAL A 31 8.274 -13.564 -3.493 1.00 0.00 N ATOM 441 CA VAL A 31 7.959 -12.516 -2.527 1.00 0.00 C ATOM 442 C VAL A 31 7.858 -13.095 -1.118 1.00 0.00 C ATOM 443 O VAL A 31 8.122 -12.406 -0.133 1.00 0.00 O ATOM 444 CB VAL A 31 6.643 -11.830 -2.900 1.00 0.00 C ATOM 445 CG1 VAL A 31 6.695 -11.394 -4.365 1.00 0.00 C ATOM 446 CG2 VAL A 31 5.482 -12.805 -2.700 1.00 0.00 C ATOM 0 H VAL A 31 7.469 -13.938 -3.997 1.00 0.00 H new ATOM 0 HA VAL A 31 8.764 -11.781 -2.547 1.00 0.00 H new ATOM 0 HB VAL A 31 6.496 -10.957 -2.264 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.758 -10.905 -4.633 1.00 0.00 H new ATOM 0 HG12 VAL A 31 7.521 -10.698 -4.508 1.00 0.00 H new ATOM 0 HG13 VAL A 31 6.842 -12.268 -5.000 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.545 -12.315 -2.966 1.00 0.00 H new ATOM 0 HG22 VAL A 31 5.627 -13.679 -3.335 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.445 -13.117 -1.656 1.00 0.00 H new ATOM 456 N ASN A 32 7.471 -14.363 -1.034 1.00 0.00 N ATOM 457 CA ASN A 32 7.334 -15.028 0.257 1.00 0.00 C ATOM 458 C ASN A 32 8.642 -14.976 1.039 1.00 0.00 C ATOM 459 O ASN A 32 8.637 -14.965 2.270 1.00 0.00 O ATOM 460 CB ASN A 32 6.913 -16.485 0.052 1.00 0.00 C ATOM 461 CG ASN A 32 5.512 -16.543 -0.548 1.00 0.00 C ATOM 462 OD1 ASN A 32 4.797 -15.541 -0.551 1.00 0.00 O ATOM 463 ND2 ASN A 32 5.075 -17.662 -1.057 1.00 0.00 N ATOM 0 H ASN A 32 7.248 -14.948 -1.839 1.00 0.00 H new ATOM 0 HA ASN A 32 6.568 -14.505 0.830 1.00 0.00 H new ATOM 0 HB2 ASN A 32 7.621 -16.988 -0.607 1.00 0.00 H new ATOM 0 HB3 ASN A 32 6.932 -17.015 1.004 1.00 0.00 H new ATOM 0 HD21 ASN A 32 4.139 -17.708 -1.459 1.00 0.00 H new ATOM 0 HD22 ASN A 32 5.670 -18.491 -1.053 1.00 0.00 H new ATOM 470 N ARG A 33 9.759 -14.950 0.321 1.00 0.00 N ATOM 471 CA ARG A 33 11.064 -14.908 0.970 1.00 0.00 C ATOM 472 C ARG A 33 11.128 -13.754 1.968 1.00 0.00 C ATOM 473 O ARG A 33 11.694 -13.889 3.053 1.00 0.00 O ATOM 474 CB ARG A 33 12.162 -14.735 -0.082 1.00 0.00 C ATOM 475 CG ARG A 33 12.188 -15.959 -0.999 1.00 0.00 C ATOM 476 CD ARG A 33 13.321 -15.813 -2.018 1.00 0.00 C ATOM 477 NE ARG A 33 14.615 -15.923 -1.355 1.00 0.00 N ATOM 478 CZ ARG A 33 15.709 -15.398 -1.895 1.00 0.00 C ATOM 479 NH1 ARG A 33 15.636 -14.769 -3.036 1.00 0.00 N ATOM 480 NH2 ARG A 33 16.857 -15.510 -1.285 1.00 0.00 N ATOM 0 H ARG A 33 9.788 -14.957 -0.699 1.00 0.00 H new ATOM 0 HA ARG A 33 11.215 -15.846 1.505 1.00 0.00 H new ATOM 0 HB2 ARG A 33 11.981 -13.833 -0.667 1.00 0.00 H new ATOM 0 HB3 ARG A 33 13.130 -14.611 0.404 1.00 0.00 H new ATOM 0 HG2 ARG A 33 12.330 -16.865 -0.409 1.00 0.00 H new ATOM 0 HG3 ARG A 33 11.233 -16.060 -1.514 1.00 0.00 H new ATOM 0 HD2 ARG A 33 13.231 -16.582 -2.785 1.00 0.00 H new ATOM 0 HD3 ARG A 33 13.244 -14.850 -2.522 1.00 0.00 H new ATOM 0 HE ARG A 33 14.681 -16.411 -0.462 1.00 0.00 H new ATOM 0 HH11 ARG A 33 14.739 -14.681 -3.513 1.00 0.00 H new ATOM 0 HH12 ARG A 33 16.476 -14.366 -3.451 1.00 0.00 H new ATOM 0 HH21 ARG A 33 16.915 -16.001 -0.393 1.00 0.00 H new ATOM 0 HH22 ARG A 33 17.697 -15.107 -1.700 1.00 0.00 H new ATOM 494 N PHE A 34 10.541 -12.622 1.594 1.00 0.00 N ATOM 495 CA PHE A 34 10.534 -11.450 2.464 1.00 0.00 C ATOM 496 C PHE A 34 9.596 -11.653 3.652 1.00 0.00 C ATOM 497 O PHE A 34 9.821 -11.106 4.731 1.00 0.00 O ATOM 498 CB PHE A 34 10.097 -10.215 1.674 1.00 0.00 C ATOM 499 CG PHE A 34 11.151 -9.875 0.647 1.00 0.00 C ATOM 500 CD1 PHE A 34 12.264 -9.110 1.014 1.00 0.00 C ATOM 501 CD2 PHE A 34 11.016 -10.326 -0.672 1.00 0.00 C ATOM 502 CE1 PHE A 34 13.241 -8.794 0.063 1.00 0.00 C ATOM 503 CE2 PHE A 34 11.993 -10.009 -1.623 1.00 0.00 C ATOM 504 CZ PHE A 34 13.106 -9.244 -1.255 1.00 0.00 C ATOM 0 H PHE A 34 10.067 -12.491 0.701 1.00 0.00 H new ATOM 0 HA PHE A 34 11.546 -11.305 2.842 1.00 0.00 H new ATOM 0 HB2 PHE A 34 9.143 -10.404 1.182 1.00 0.00 H new ATOM 0 HB3 PHE A 34 9.947 -9.373 2.349 1.00 0.00 H new ATOM 0 HD1 PHE A 34 12.369 -8.763 2.031 1.00 0.00 H new ATOM 0 HD2 PHE A 34 10.158 -10.918 -0.955 1.00 0.00 H new ATOM 0 HE1 PHE A 34 14.099 -8.203 0.346 1.00 0.00 H new ATOM 0 HE2 PHE A 34 11.888 -10.355 -2.641 1.00 0.00 H new ATOM 0 HZ PHE A 34 13.861 -9.001 -1.988 1.00 0.00 H new ATOM 514 N PHE A 35 8.537 -12.431 3.443 1.00 0.00 N ATOM 515 CA PHE A 35 7.565 -12.685 4.504 1.00 0.00 C ATOM 516 C PHE A 35 7.984 -13.871 5.368 1.00 0.00 C ATOM 517 O PHE A 35 7.218 -14.328 6.217 1.00 0.00 O ATOM 518 CB PHE A 35 6.187 -12.955 3.896 1.00 0.00 C ATOM 519 CG PHE A 35 5.674 -11.700 3.231 1.00 0.00 C ATOM 520 CD1 PHE A 35 5.048 -10.708 3.996 1.00 0.00 C ATOM 521 CD2 PHE A 35 5.824 -11.527 1.850 1.00 0.00 C ATOM 522 CE1 PHE A 35 4.573 -9.545 3.381 1.00 0.00 C ATOM 523 CE2 PHE A 35 5.350 -10.364 1.234 1.00 0.00 C ATOM 524 CZ PHE A 35 4.724 -9.372 1.999 1.00 0.00 C ATOM 0 H PHE A 35 8.331 -12.893 2.557 1.00 0.00 H new ATOM 0 HA PHE A 35 7.520 -11.799 5.137 1.00 0.00 H new ATOM 0 HB2 PHE A 35 6.251 -13.764 3.169 1.00 0.00 H new ATOM 0 HB3 PHE A 35 5.493 -13.278 4.672 1.00 0.00 H new ATOM 0 HD1 PHE A 35 4.932 -10.841 5.061 1.00 0.00 H new ATOM 0 HD2 PHE A 35 6.306 -12.292 1.260 1.00 0.00 H new ATOM 0 HE1 PHE A 35 4.090 -8.781 3.971 1.00 0.00 H new ATOM 0 HE2 PHE A 35 5.467 -10.231 0.169 1.00 0.00 H new ATOM 0 HZ PHE A 35 4.358 -8.474 1.524 1.00 0.00 H new ATOM 534 N VAL A 36 9.198 -14.366 5.153 1.00 0.00 N ATOM 535 CA VAL A 36 9.691 -15.498 5.929 1.00 0.00 C ATOM 536 C VAL A 36 9.654 -15.176 7.420 1.00 0.00 C ATOM 537 O VAL A 36 9.289 -16.020 8.239 1.00 0.00 O ATOM 538 CB VAL A 36 11.124 -15.834 5.516 1.00 0.00 C ATOM 539 CG1 VAL A 36 11.711 -16.855 6.492 1.00 0.00 C ATOM 540 CG2 VAL A 36 11.119 -16.427 4.107 1.00 0.00 C ATOM 0 H VAL A 36 9.852 -14.007 4.457 1.00 0.00 H new ATOM 0 HA VAL A 36 9.048 -16.356 5.733 1.00 0.00 H new ATOM 0 HB VAL A 36 11.728 -14.927 5.531 1.00 0.00 H new ATOM 0 HG11 VAL A 36 12.733 -17.094 6.197 1.00 0.00 H new ATOM 0 HG12 VAL A 36 11.712 -16.437 7.499 1.00 0.00 H new ATOM 0 HG13 VAL A 36 11.107 -17.762 6.477 1.00 0.00 H new ATOM 0 HG21 VAL A 36 12.140 -16.668 3.810 1.00 0.00 H new ATOM 0 HG22 VAL A 36 10.515 -17.334 4.096 1.00 0.00 H new ATOM 0 HG23 VAL A 36 10.699 -15.703 3.409 1.00 0.00 H new ATOM 550 N ASN A 37 10.030 -13.949 7.764 1.00 0.00 N ATOM 551 CA ASN A 37 10.032 -13.523 9.158 1.00 0.00 C ATOM 552 C ASN A 37 8.663 -12.979 9.553 1.00 0.00 C ATOM 553 O ASN A 37 8.480 -12.473 10.660 1.00 0.00 O ATOM 554 CB ASN A 37 11.094 -12.444 9.372 1.00 0.00 C ATOM 555 CG ASN A 37 12.480 -13.011 9.080 1.00 0.00 C ATOM 556 OD1 ASN A 37 12.661 -14.228 9.054 1.00 0.00 O ATOM 557 ND2 ASN A 37 13.474 -12.195 8.856 1.00 0.00 N ATOM 0 H ASN A 37 10.335 -13.236 7.101 1.00 0.00 H new ATOM 0 HA ASN A 37 10.261 -14.386 9.783 1.00 0.00 H new ATOM 0 HB2 ASN A 37 10.896 -11.593 8.721 1.00 0.00 H new ATOM 0 HB3 ASN A 37 11.051 -12.078 10.398 1.00 0.00 H new ATOM 0 HD21 ASN A 37 14.404 -12.566 8.659 1.00 0.00 H new ATOM 0 HD22 ASN A 37 13.321 -11.187 8.878 1.00 0.00 H new ATOM 564 N THR A 38 7.704 -13.085 8.638 1.00 0.00 N ATOM 565 CA THR A 38 6.354 -12.598 8.899 1.00 0.00 C ATOM 566 C THR A 38 5.342 -13.732 8.774 1.00 0.00 C ATOM 567 O THR A 38 5.451 -14.578 7.886 1.00 0.00 O ATOM 568 CB THR A 38 6.001 -11.485 7.911 1.00 0.00 C ATOM 569 OG1 THR A 38 6.989 -10.466 7.976 1.00 0.00 O ATOM 570 CG2 THR A 38 4.635 -10.898 8.266 1.00 0.00 C ATOM 0 H THR A 38 7.835 -13.501 7.716 1.00 0.00 H new ATOM 0 HA THR A 38 6.319 -12.206 9.915 1.00 0.00 H new ATOM 0 HB THR A 38 5.965 -11.893 6.901 1.00 0.00 H new ATOM 0 HG1 THR A 38 6.765 -9.753 7.342 1.00 0.00 H new ATOM 0 HG21 THR A 38 4.385 -10.105 7.561 1.00 0.00 H new ATOM 0 HG22 THR A 38 3.878 -11.681 8.215 1.00 0.00 H new ATOM 0 HG23 THR A 38 4.666 -10.489 9.276 1.00 0.00 H new ATOM 578 N ASP A 39 4.360 -13.745 9.669 1.00 0.00 N ATOM 579 CA ASP A 39 3.336 -14.784 9.647 1.00 0.00 C ATOM 580 C ASP A 39 2.279 -14.480 8.590 1.00 0.00 C ATOM 581 O ASP A 39 2.172 -13.353 8.108 1.00 0.00 O ATOM 582 CB ASP A 39 2.672 -14.889 11.022 1.00 0.00 C ATOM 583 CG ASP A 39 1.940 -13.591 11.347 1.00 0.00 C ATOM 584 OD1 ASP A 39 1.777 -12.786 10.445 1.00 0.00 O ATOM 585 OD2 ASP A 39 1.554 -13.422 12.491 1.00 0.00 O ATOM 0 H ASP A 39 4.251 -13.055 10.412 1.00 0.00 H new ATOM 0 HA ASP A 39 3.814 -15.732 9.399 1.00 0.00 H new ATOM 0 HB2 ASP A 39 1.972 -15.724 11.034 1.00 0.00 H new ATOM 0 HB3 ASP A 39 3.424 -15.093 11.784 1.00 0.00 H new ATOM 590 N MET A 40 1.499 -15.497 8.234 1.00 0.00 N ATOM 591 CA MET A 40 0.451 -15.337 7.233 1.00 0.00 C ATOM 592 C MET A 40 -0.581 -14.306 7.684 1.00 0.00 C ATOM 593 O MET A 40 -1.140 -13.580 6.863 1.00 0.00 O ATOM 594 CB MET A 40 -0.243 -16.680 6.983 1.00 0.00 C ATOM 595 CG MET A 40 0.726 -17.646 6.294 1.00 0.00 C ATOM 596 SD MET A 40 1.713 -18.508 7.541 1.00 0.00 S ATOM 597 CE MET A 40 3.199 -18.735 6.533 1.00 0.00 C ATOM 0 H MET A 40 1.573 -16.437 8.623 1.00 0.00 H new ATOM 0 HA MET A 40 0.913 -14.986 6.310 1.00 0.00 H new ATOM 0 HB2 MET A 40 -0.584 -17.105 7.927 1.00 0.00 H new ATOM 0 HB3 MET A 40 -1.127 -16.533 6.362 1.00 0.00 H new ATOM 0 HG2 MET A 40 0.171 -18.366 5.693 1.00 0.00 H new ATOM 0 HG3 MET A 40 1.379 -17.099 5.614 1.00 0.00 H new ATOM 0 HE1 MET A 40 3.957 -19.258 7.116 1.00 0.00 H new ATOM 0 HE2 MET A 40 2.952 -19.322 5.648 1.00 0.00 H new ATOM 0 HE3 MET A 40 3.583 -17.762 6.227 1.00 0.00 H new ATOM 607 N ALA A 41 -0.837 -14.252 8.987 1.00 0.00 N ATOM 608 CA ALA A 41 -1.814 -13.309 9.520 1.00 0.00 C ATOM 609 C ALA A 41 -1.424 -11.876 9.172 1.00 0.00 C ATOM 610 O ALA A 41 -2.186 -11.154 8.531 1.00 0.00 O ATOM 611 CB ALA A 41 -1.907 -13.457 11.039 1.00 0.00 C ATOM 0 H ALA A 41 -0.387 -14.843 9.687 1.00 0.00 H new ATOM 0 HA ALA A 41 -2.783 -13.529 9.072 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -2.639 -12.749 11.429 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -2.216 -14.472 11.287 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -0.933 -13.255 11.485 1.00 0.00 H new ATOM 617 N LYS A 42 -0.230 -11.474 9.594 1.00 0.00 N ATOM 618 CA LYS A 42 0.251 -10.126 9.313 1.00 0.00 C ATOM 619 C LYS A 42 0.386 -9.907 7.811 1.00 0.00 C ATOM 620 O LYS A 42 0.164 -8.804 7.312 1.00 0.00 O ATOM 621 CB LYS A 42 1.603 -9.897 9.990 1.00 0.00 C ATOM 622 CG LYS A 42 1.426 -9.926 11.508 1.00 0.00 C ATOM 623 CD LYS A 42 2.753 -9.573 12.182 1.00 0.00 C ATOM 624 CE LYS A 42 2.600 -9.676 13.700 1.00 0.00 C ATOM 625 NZ LYS A 42 2.675 -8.312 14.299 1.00 0.00 N ATOM 0 H LYS A 42 0.417 -12.055 10.127 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.474 -9.415 9.708 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.311 -10.666 9.681 1.00 0.00 H new ATOM 0 HB3 LYS A 42 2.019 -8.938 9.680 1.00 0.00 H new ATOM 0 HG2 LYS A 42 0.653 -9.218 11.809 1.00 0.00 H new ATOM 0 HG3 LYS A 42 1.095 -10.914 11.828 1.00 0.00 H new ATOM 0 HD2 LYS A 42 3.538 -10.247 11.839 1.00 0.00 H new ATOM 0 HD3 LYS A 42 3.056 -8.564 11.904 1.00 0.00 H new ATOM 0 HE2 LYS A 42 1.647 -10.143 13.950 1.00 0.00 H new ATOM 0 HE3 LYS A 42 3.384 -10.310 14.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 2.571 -8.380 15.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 3.594 -7.883 14.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 1.912 -7.721 13.913 1.00 0.00 H new ATOM 639 N GLN A 43 0.760 -10.964 7.097 1.00 0.00 N ATOM 640 CA GLN A 43 0.931 -10.874 5.652 1.00 0.00 C ATOM 641 C GLN A 43 -0.339 -10.353 4.987 1.00 0.00 C ATOM 642 O GLN A 43 -0.279 -9.510 4.094 1.00 0.00 O ATOM 643 CB GLN A 43 1.279 -12.251 5.084 1.00 0.00 C ATOM 644 CG GLN A 43 1.622 -12.117 3.601 1.00 0.00 C ATOM 645 CD GLN A 43 1.893 -13.491 3.001 1.00 0.00 C ATOM 646 OE1 GLN A 43 2.088 -13.615 1.792 1.00 0.00 O ATOM 647 NE2 GLN A 43 1.916 -14.539 3.777 1.00 0.00 N ATOM 0 H GLN A 43 0.949 -11.885 7.492 1.00 0.00 H new ATOM 0 HA GLN A 43 1.743 -10.177 5.445 1.00 0.00 H new ATOM 0 HB2 GLN A 43 2.123 -12.678 5.626 1.00 0.00 H new ATOM 0 HB3 GLN A 43 0.439 -12.933 5.214 1.00 0.00 H new ATOM 0 HG2 GLN A 43 0.800 -11.636 3.071 1.00 0.00 H new ATOM 0 HG3 GLN A 43 2.497 -11.479 3.478 1.00 0.00 H new ATOM 0 HE21 GLN A 43 1.754 -14.435 4.779 1.00 0.00 H new ATOM 0 HE22 GLN A 43 2.096 -15.462 3.382 1.00 0.00 H new ATOM 656 N LYS A 44 -1.488 -10.855 5.428 1.00 0.00 N ATOM 657 CA LYS A 44 -2.761 -10.421 4.863 1.00 0.00 C ATOM 658 C LYS A 44 -2.977 -8.930 5.097 1.00 0.00 C ATOM 659 O LYS A 44 -3.513 -8.229 4.239 1.00 0.00 O ATOM 660 CB LYS A 44 -3.915 -11.208 5.491 1.00 0.00 C ATOM 661 CG LYS A 44 -3.820 -12.677 5.071 1.00 0.00 C ATOM 662 CD LYS A 44 -5.079 -13.429 5.517 1.00 0.00 C ATOM 663 CE LYS A 44 -4.752 -14.297 6.732 1.00 0.00 C ATOM 664 NZ LYS A 44 -3.620 -15.207 6.403 1.00 0.00 N ATOM 0 H LYS A 44 -1.565 -11.555 6.166 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.736 -10.609 3.790 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -3.876 -11.126 6.577 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -4.870 -10.789 5.174 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.707 -12.749 3.989 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -2.936 -13.135 5.515 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -5.870 -12.721 5.765 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -5.452 -14.050 4.703 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -4.491 -13.667 7.582 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -5.627 -14.878 7.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -3.682 -16.064 6.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -3.667 -15.471 5.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -2.719 -14.723 6.592 1.00 0.00 H new ATOM 678 N GLN A 45 -2.562 -8.451 6.266 1.00 0.00 N ATOM 679 CA GLN A 45 -2.724 -7.041 6.604 1.00 0.00 C ATOM 680 C GLN A 45 -1.990 -6.153 5.604 1.00 0.00 C ATOM 681 O GLN A 45 -2.516 -5.130 5.166 1.00 0.00 O ATOM 682 CB GLN A 45 -2.185 -6.781 8.011 1.00 0.00 C ATOM 683 CG GLN A 45 -2.560 -5.364 8.448 1.00 0.00 C ATOM 684 CD GLN A 45 -4.048 -5.296 8.778 1.00 0.00 C ATOM 685 OE1 GLN A 45 -4.507 -5.952 9.713 1.00 0.00 O ATOM 686 NE2 GLN A 45 -4.832 -4.537 8.062 1.00 0.00 N ATOM 0 H GLN A 45 -2.115 -9.013 6.990 1.00 0.00 H new ATOM 0 HA GLN A 45 -3.786 -6.800 6.567 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -2.597 -7.509 8.710 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -1.102 -6.903 8.025 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -1.972 -5.076 9.320 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -2.322 -4.655 7.655 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -4.449 -3.995 7.288 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -5.828 -4.486 8.277 1.00 0.00 H new ATOM 695 N HIS A 46 -0.771 -6.548 5.246 1.00 0.00 N ATOM 696 CA HIS A 46 0.023 -5.776 4.296 1.00 0.00 C ATOM 697 C HIS A 46 -0.647 -5.748 2.926 1.00 0.00 C ATOM 698 O HIS A 46 -0.686 -4.709 2.265 1.00 0.00 O ATOM 699 CB HIS A 46 1.427 -6.374 4.172 1.00 0.00 C ATOM 700 CG HIS A 46 2.259 -5.509 3.263 1.00 0.00 C ATOM 701 ND1 HIS A 46 2.511 -5.850 1.944 1.00 0.00 N ATOM 702 CD2 HIS A 46 2.898 -4.311 3.469 1.00 0.00 C ATOM 703 CE1 HIS A 46 3.272 -4.876 1.411 1.00 0.00 C ATOM 704 NE2 HIS A 46 3.537 -3.912 2.298 1.00 0.00 N ATOM 0 H HIS A 46 -0.315 -7.391 5.596 1.00 0.00 H new ATOM 0 HA HIS A 46 0.098 -4.754 4.668 1.00 0.00 H new ATOM 0 HB2 HIS A 46 1.893 -6.442 5.155 1.00 0.00 H new ATOM 0 HB3 HIS A 46 1.369 -7.388 3.775 1.00 0.00 H new ATOM 0 HD1 HIS A 46 2.180 -6.687 1.464 1.00 0.00 H new ATOM 0 HD2 HIS A 46 2.904 -3.761 4.399 1.00 0.00 H new ATOM 0 HE1 HIS A 46 3.626 -4.874 0.391 1.00 0.00 H new ATOM 712 N GLN A 47 -1.170 -6.895 2.502 1.00 0.00 N ATOM 713 CA GLN A 47 -1.833 -6.990 1.206 1.00 0.00 C ATOM 714 C GLN A 47 -3.012 -6.025 1.131 1.00 0.00 C ATOM 715 O GLN A 47 -3.267 -5.424 0.086 1.00 0.00 O ATOM 716 CB GLN A 47 -2.326 -8.422 0.969 1.00 0.00 C ATOM 717 CG GLN A 47 -1.251 -9.247 0.249 1.00 0.00 C ATOM 718 CD GLN A 47 -0.051 -9.491 1.159 1.00 0.00 C ATOM 719 OE1 GLN A 47 0.260 -8.668 2.018 1.00 0.00 O ATOM 720 NE2 GLN A 47 0.648 -10.583 1.016 1.00 0.00 N ATOM 0 H GLN A 47 -1.148 -7.766 3.033 1.00 0.00 H new ATOM 0 HA GLN A 47 -1.111 -6.723 0.434 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -2.575 -8.890 1.922 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -3.239 -8.405 0.374 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -1.671 -10.201 -0.069 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -0.929 -8.725 -0.652 1.00 0.00 H new ATOM 0 HE21 GLN A 47 0.389 -11.265 0.303 1.00 0.00 H new ATOM 0 HE22 GLN A 47 1.454 -10.755 1.617 1.00 0.00 H new ATOM 729 N LYS A 48 -3.727 -5.877 2.240 1.00 0.00 N ATOM 730 CA LYS A 48 -4.875 -4.977 2.276 1.00 0.00 C ATOM 731 C LYS A 48 -4.441 -3.546 1.976 1.00 0.00 C ATOM 732 O LYS A 48 -5.063 -2.854 1.170 1.00 0.00 O ATOM 733 CB LYS A 48 -5.537 -5.032 3.654 1.00 0.00 C ATOM 734 CG LYS A 48 -6.806 -4.178 3.649 1.00 0.00 C ATOM 735 CD LYS A 48 -7.425 -4.176 5.048 1.00 0.00 C ATOM 736 CE LYS A 48 -8.752 -3.415 5.019 1.00 0.00 C ATOM 737 NZ LYS A 48 -9.431 -3.552 6.338 1.00 0.00 N ATOM 0 H LYS A 48 -3.536 -6.362 3.117 1.00 0.00 H new ATOM 0 HA LYS A 48 -5.589 -5.296 1.517 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.782 -6.063 3.910 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -4.846 -4.670 4.415 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -6.570 -3.159 3.343 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.519 -4.572 2.925 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.588 -5.199 5.386 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -6.742 -3.710 5.759 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -8.575 -2.363 4.796 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -9.391 -3.806 4.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -10.333 -3.035 6.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -9.612 -4.557 6.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -8.822 -3.159 7.084 1.00 0.00 H new ATOM 751 N ASP A 49 -3.368 -3.111 2.628 1.00 0.00 N ATOM 752 CA ASP A 49 -2.856 -1.760 2.422 1.00 0.00 C ATOM 753 C ASP A 49 -2.317 -1.595 1.005 1.00 0.00 C ATOM 754 O ASP A 49 -2.487 -0.547 0.383 1.00 0.00 O ATOM 755 CB ASP A 49 -1.742 -1.465 3.428 1.00 0.00 C ATOM 756 CG ASP A 49 -2.311 -1.437 4.842 1.00 0.00 C ATOM 757 OD1 ASP A 49 -3.523 -1.395 4.970 1.00 0.00 O ATOM 758 OD2 ASP A 49 -1.527 -1.457 5.776 1.00 0.00 O ATOM 0 H ASP A 49 -2.839 -3.669 3.299 1.00 0.00 H new ATOM 0 HA ASP A 49 -3.677 -1.058 2.568 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -0.964 -2.225 3.355 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -1.275 -0.508 3.196 1.00 0.00 H new ATOM 763 N PHE A 50 -1.658 -2.636 0.504 1.00 0.00 N ATOM 764 CA PHE A 50 -1.086 -2.595 -0.837 1.00 0.00 C ATOM 765 C PHE A 50 -2.171 -2.371 -1.886 1.00 0.00 C ATOM 766 O PHE A 50 -2.050 -1.490 -2.737 1.00 0.00 O ATOM 767 CB PHE A 50 -0.358 -3.910 -1.124 1.00 0.00 C ATOM 768 CG PHE A 50 0.363 -3.814 -2.447 1.00 0.00 C ATOM 769 CD1 PHE A 50 1.652 -3.272 -2.504 1.00 0.00 C ATOM 770 CD2 PHE A 50 -0.257 -4.270 -3.616 1.00 0.00 C ATOM 771 CE1 PHE A 50 2.323 -3.186 -3.730 1.00 0.00 C ATOM 772 CE2 PHE A 50 0.413 -4.184 -4.843 1.00 0.00 C ATOM 773 CZ PHE A 50 1.703 -3.643 -4.900 1.00 0.00 C ATOM 0 H PHE A 50 -1.508 -3.513 1.003 1.00 0.00 H new ATOM 0 HA PHE A 50 -0.382 -1.764 -0.887 1.00 0.00 H new ATOM 0 HB2 PHE A 50 0.353 -4.125 -0.326 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.071 -4.734 -1.146 1.00 0.00 H new ATOM 0 HD1 PHE A 50 2.130 -2.920 -1.602 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -1.252 -4.688 -3.572 1.00 0.00 H new ATOM 0 HE1 PHE A 50 3.318 -2.768 -3.773 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -0.066 -4.535 -5.745 1.00 0.00 H new ATOM 0 HZ PHE A 50 2.220 -3.578 -5.846 1.00 0.00 H new ATOM 783 N MET A 51 -3.229 -3.172 -1.820 1.00 0.00 N ATOM 784 CA MET A 51 -4.327 -3.048 -2.773 1.00 0.00 C ATOM 785 C MET A 51 -5.034 -1.706 -2.615 1.00 0.00 C ATOM 786 O MET A 51 -5.440 -1.088 -3.600 1.00 0.00 O ATOM 787 CB MET A 51 -5.332 -4.182 -2.565 1.00 0.00 C ATOM 788 CG MET A 51 -6.405 -4.119 -3.653 1.00 0.00 C ATOM 789 SD MET A 51 -7.665 -5.379 -3.335 1.00 0.00 S ATOM 790 CE MET A 51 -8.689 -5.048 -4.789 1.00 0.00 C ATOM 0 H MET A 51 -3.350 -3.908 -1.124 1.00 0.00 H new ATOM 0 HA MET A 51 -3.912 -3.108 -3.779 1.00 0.00 H new ATOM 0 HB2 MET A 51 -4.822 -5.145 -2.598 1.00 0.00 H new ATOM 0 HB3 MET A 51 -5.792 -4.098 -1.580 1.00 0.00 H new ATOM 0 HG2 MET A 51 -6.862 -3.130 -3.671 1.00 0.00 H new ATOM 0 HG3 MET A 51 -5.954 -4.280 -4.632 1.00 0.00 H new ATOM 0 HE1 MET A 51 -9.670 -4.694 -4.471 1.00 0.00 H new ATOM 0 HE2 MET A 51 -8.211 -4.286 -5.405 1.00 0.00 H new ATOM 0 HE3 MET A 51 -8.804 -5.964 -5.369 1.00 0.00 H new ATOM 800 N THR A 52 -5.185 -1.264 -1.371 1.00 0.00 N ATOM 801 CA THR A 52 -5.852 0.004 -1.098 1.00 0.00 C ATOM 802 C THR A 52 -5.132 1.156 -1.792 1.00 0.00 C ATOM 803 O THR A 52 -5.766 2.031 -2.380 1.00 0.00 O ATOM 804 CB THR A 52 -5.890 0.257 0.411 1.00 0.00 C ATOM 805 OG1 THR A 52 -6.497 -0.852 1.060 1.00 0.00 O ATOM 806 CG2 THR A 52 -6.695 1.524 0.701 1.00 0.00 C ATOM 0 H THR A 52 -4.858 -1.760 -0.542 1.00 0.00 H new ATOM 0 HA THR A 52 -6.869 -0.053 -1.485 1.00 0.00 H new ATOM 0 HB THR A 52 -4.873 0.385 0.783 1.00 0.00 H new ATOM 0 HG1 THR A 52 -5.803 -1.415 1.462 1.00 0.00 H new ATOM 0 HG21 THR A 52 -6.720 1.701 1.776 1.00 0.00 H new ATOM 0 HG22 THR A 52 -6.227 2.374 0.204 1.00 0.00 H new ATOM 0 HG23 THR A 52 -7.712 1.402 0.330 1.00 0.00 H new ATOM 814 N TYR A 53 -3.805 1.148 -1.721 1.00 0.00 N ATOM 815 CA TYR A 53 -3.012 2.199 -2.350 1.00 0.00 C ATOM 816 C TYR A 53 -3.249 2.221 -3.857 1.00 0.00 C ATOM 817 O TYR A 53 -3.345 3.288 -4.464 1.00 0.00 O ATOM 818 CB TYR A 53 -1.527 1.971 -2.067 1.00 0.00 C ATOM 819 CG TYR A 53 -0.727 3.129 -2.617 1.00 0.00 C ATOM 820 CD1 TYR A 53 -0.557 4.288 -1.850 1.00 0.00 C ATOM 821 CD2 TYR A 53 -0.155 3.043 -3.892 1.00 0.00 C ATOM 822 CE1 TYR A 53 0.185 5.361 -2.359 1.00 0.00 C ATOM 823 CE2 TYR A 53 0.586 4.116 -4.401 1.00 0.00 C ATOM 824 CZ TYR A 53 0.757 5.276 -3.634 1.00 0.00 C ATOM 825 OH TYR A 53 1.487 6.333 -4.136 1.00 0.00 O ATOM 0 H TYR A 53 -3.260 0.433 -1.239 1.00 0.00 H new ATOM 0 HA TYR A 53 -3.318 3.159 -1.933 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -1.360 1.877 -0.994 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -1.198 1.038 -2.524 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -0.998 4.354 -0.866 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -0.286 2.149 -4.483 1.00 0.00 H new ATOM 0 HE1 TYR A 53 0.316 6.255 -1.767 1.00 0.00 H new ATOM 0 HE2 TYR A 53 1.026 4.050 -5.385 1.00 0.00 H new ATOM 0 HH TYR A 53 1.814 6.108 -5.032 1.00 0.00 H new ATOM 835 N ALA A 54 -3.339 1.037 -4.455 1.00 0.00 N ATOM 836 CA ALA A 54 -3.560 0.931 -5.893 1.00 0.00 C ATOM 837 C ALA A 54 -4.893 1.562 -6.282 1.00 0.00 C ATOM 838 O ALA A 54 -5.017 2.170 -7.345 1.00 0.00 O ATOM 839 CB ALA A 54 -3.551 -0.540 -6.314 1.00 0.00 C ATOM 0 H ALA A 54 -3.263 0.143 -3.970 1.00 0.00 H new ATOM 0 HA ALA A 54 -2.757 1.463 -6.403 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -3.717 -0.612 -7.389 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.587 -0.984 -6.065 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -4.343 -1.074 -5.788 1.00 0.00 H new ATOM 845 N PHE A 55 -5.887 1.412 -5.414 1.00 0.00 N ATOM 846 CA PHE A 55 -7.209 1.970 -5.677 1.00 0.00 C ATOM 847 C PHE A 55 -7.220 3.474 -5.417 1.00 0.00 C ATOM 848 O PHE A 55 -8.224 4.146 -5.655 1.00 0.00 O ATOM 849 CB PHE A 55 -8.251 1.283 -4.791 1.00 0.00 C ATOM 850 CG PHE A 55 -8.767 0.043 -5.485 1.00 0.00 C ATOM 851 CD1 PHE A 55 -7.877 -0.819 -6.140 1.00 0.00 C ATOM 852 CD2 PHE A 55 -10.138 -0.245 -5.474 1.00 0.00 C ATOM 853 CE1 PHE A 55 -8.359 -1.967 -6.783 1.00 0.00 C ATOM 854 CE2 PHE A 55 -10.618 -1.393 -6.117 1.00 0.00 C ATOM 855 CZ PHE A 55 -9.729 -2.253 -6.772 1.00 0.00 C ATOM 0 H PHE A 55 -5.805 0.913 -4.528 1.00 0.00 H new ATOM 0 HA PHE A 55 -7.455 1.796 -6.725 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -7.809 1.017 -3.831 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -9.075 1.966 -4.584 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -6.820 -0.599 -6.149 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -10.825 0.418 -4.970 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -7.673 -2.631 -7.287 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -11.675 -1.615 -6.107 1.00 0.00 H new ATOM 0 HZ PHE A 55 -10.100 -3.137 -7.269 1.00 0.00 H new ATOM 865 N GLY A 56 -6.099 3.996 -4.929 1.00 0.00 N ATOM 866 CA GLY A 56 -5.994 5.423 -4.645 1.00 0.00 C ATOM 867 C GLY A 56 -6.331 5.715 -3.186 1.00 0.00 C ATOM 868 O GLY A 56 -6.439 6.874 -2.783 1.00 0.00 O ATOM 0 H GLY A 56 -5.257 3.458 -4.723 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -4.984 5.768 -4.865 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -6.669 5.978 -5.296 1.00 0.00 H new ATOM 872 N GLY A 57 -6.496 4.657 -2.400 1.00 0.00 N ATOM 873 CA GLY A 57 -6.823 4.810 -0.987 1.00 0.00 C ATOM 874 C GLY A 57 -5.596 5.228 -0.182 1.00 0.00 C ATOM 875 O GLY A 57 -5.080 4.457 0.626 1.00 0.00 O ATOM 0 H GLY A 57 -6.410 3.690 -2.714 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -7.609 5.556 -0.871 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -7.215 3.870 -0.597 1.00 0.00 H new ATOM 879 N THR A 58 -5.135 6.454 -0.405 1.00 0.00 N ATOM 880 CA THR A 58 -3.969 6.957 0.313 1.00 0.00 C ATOM 881 C THR A 58 -4.291 7.125 1.794 1.00 0.00 C ATOM 882 O THR A 58 -3.399 7.069 2.639 1.00 0.00 O ATOM 883 CB THR A 58 -3.529 8.299 -0.277 1.00 0.00 C ATOM 884 OG1 THR A 58 -4.542 9.270 -0.048 1.00 0.00 O ATOM 885 CG2 THR A 58 -3.297 8.144 -1.780 1.00 0.00 C ATOM 0 H THR A 58 -5.545 7.111 -1.069 1.00 0.00 H new ATOM 0 HA THR A 58 -3.158 6.237 0.208 1.00 0.00 H new ATOM 0 HB THR A 58 -2.603 8.621 0.200 1.00 0.00 H new ATOM 0 HG1 THR A 58 -4.261 10.131 -0.424 1.00 0.00 H new ATOM 0 HG21 THR A 58 -2.984 9.100 -2.200 1.00 0.00 H new ATOM 0 HG22 THR A 58 -2.520 7.399 -1.953 1.00 0.00 H new ATOM 0 HG23 THR A 58 -4.221 7.822 -2.260 1.00 0.00 H new ATOM 893 N ASP A 59 -5.577 7.328 2.089 1.00 0.00 N ATOM 894 CA ASP A 59 -6.043 7.502 3.467 1.00 0.00 C ATOM 895 C ASP A 59 -4.937 8.047 4.366 1.00 0.00 C ATOM 896 O ASP A 59 -4.809 7.640 5.520 1.00 0.00 O ATOM 897 CB ASP A 59 -6.551 6.168 4.025 1.00 0.00 C ATOM 898 CG ASP A 59 -5.405 5.168 4.150 1.00 0.00 C ATOM 899 OD1 ASP A 59 -4.265 5.597 4.157 1.00 0.00 O ATOM 900 OD2 ASP A 59 -5.688 3.985 4.246 1.00 0.00 O ATOM 0 H ASP A 59 -6.317 7.376 1.389 1.00 0.00 H new ATOM 0 HA ASP A 59 -6.858 8.226 3.453 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -7.010 6.327 5.001 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -7.324 5.764 3.371 1.00 0.00 H new ATOM 905 N ARG A 60 -4.145 8.970 3.831 1.00 0.00 N ATOM 906 CA ARG A 60 -3.053 9.564 4.595 1.00 0.00 C ATOM 907 C ARG A 60 -2.152 8.479 5.176 1.00 0.00 C ATOM 908 O ARG A 60 -2.573 7.695 6.026 1.00 0.00 O ATOM 909 CB ARG A 60 -3.616 10.418 5.734 1.00 0.00 C ATOM 910 CG ARG A 60 -4.638 11.418 5.185 1.00 0.00 C ATOM 911 CD ARG A 60 -3.923 12.519 4.399 1.00 0.00 C ATOM 912 NE ARG A 60 -4.850 13.604 4.098 1.00 0.00 N ATOM 913 CZ ARG A 60 -5.672 13.537 3.056 1.00 0.00 C ATOM 914 NH1 ARG A 60 -5.658 12.487 2.282 1.00 0.00 N ATOM 915 NH2 ARG A 60 -6.493 14.519 2.808 1.00 0.00 N ATOM 0 H ARG A 60 -4.237 9.321 2.878 1.00 0.00 H new ATOM 0 HA ARG A 60 -2.466 10.190 3.923 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -4.086 9.778 6.481 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -2.807 10.950 6.234 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -5.351 10.904 4.541 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -5.207 11.856 6.005 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -3.081 12.900 4.976 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -3.517 12.110 3.474 1.00 0.00 H new ATOM 0 HE ARG A 60 -4.868 14.429 4.698 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -5.016 11.718 2.477 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -6.289 12.435 1.482 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -6.505 15.339 3.414 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -7.124 14.467 2.008 1.00 0.00 H new ATOM 929 N PHE A 61 -0.905 8.445 4.718 1.00 0.00 N ATOM 930 CA PHE A 61 0.049 7.456 5.206 1.00 0.00 C ATOM 931 C PHE A 61 1.325 8.137 5.691 1.00 0.00 C ATOM 932 O PHE A 61 2.369 8.054 5.044 1.00 0.00 O ATOM 933 CB PHE A 61 0.393 6.467 4.089 1.00 0.00 C ATOM 934 CG PHE A 61 -0.672 5.399 4.008 1.00 0.00 C ATOM 935 CD1 PHE A 61 -0.848 4.504 5.069 1.00 0.00 C ATOM 936 CD2 PHE A 61 -1.480 5.303 2.869 1.00 0.00 C ATOM 937 CE1 PHE A 61 -1.835 3.513 4.993 1.00 0.00 C ATOM 938 CE2 PHE A 61 -2.466 4.311 2.792 1.00 0.00 C ATOM 939 CZ PHE A 61 -2.643 3.417 3.853 1.00 0.00 C ATOM 0 H PHE A 61 -0.534 9.085 4.016 1.00 0.00 H new ATOM 0 HA PHE A 61 -0.406 6.921 6.040 1.00 0.00 H new ATOM 0 HB2 PHE A 61 0.469 6.991 3.136 1.00 0.00 H new ATOM 0 HB3 PHE A 61 1.365 6.011 4.280 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -0.223 4.577 5.947 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -1.343 5.993 2.050 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -1.973 2.824 5.813 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -3.090 4.236 1.913 1.00 0.00 H new ATOM 0 HZ PHE A 61 -3.403 2.652 3.793 1.00 0.00 H new ATOM 949 N PRO A 62 1.259 8.804 6.812 1.00 0.00 N ATOM 950 CA PRO A 62 2.429 9.514 7.397 1.00 0.00 C ATOM 951 C PRO A 62 3.363 8.566 8.145 1.00 0.00 C ATOM 952 O PRO A 62 4.487 8.317 7.711 1.00 0.00 O ATOM 953 CB PRO A 62 1.788 10.519 8.354 1.00 0.00 C ATOM 954 CG PRO A 62 0.488 9.905 8.768 1.00 0.00 C ATOM 955 CD PRO A 62 0.056 8.956 7.645 1.00 0.00 C ATOM 0 HA PRO A 62 3.055 9.978 6.635 1.00 0.00 H new ATOM 0 HB2 PRO A 62 2.428 10.702 9.217 1.00 0.00 H new ATOM 0 HB3 PRO A 62 1.630 11.480 7.865 1.00 0.00 H new ATOM 0 HG2 PRO A 62 0.600 9.363 9.707 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -0.266 10.675 8.932 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -0.277 7.997 8.041 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -0.774 9.370 7.072 1.00 0.00 H new ATOM 963 N GLY A 63 2.890 8.040 9.270 1.00 0.00 N ATOM 964 CA GLY A 63 3.692 7.119 10.066 1.00 0.00 C ATOM 965 C GLY A 63 5.045 7.734 10.407 1.00 0.00 C ATOM 966 O GLY A 63 5.125 8.876 10.857 1.00 0.00 O ATOM 0 H GLY A 63 1.963 8.234 9.649 1.00 0.00 H new ATOM 0 HA2 GLY A 63 3.161 6.867 10.984 1.00 0.00 H new ATOM 0 HA3 GLY A 63 3.838 6.189 9.517 1.00 0.00 H new ATOM 970 N ARG A 64 6.106 6.966 10.183 1.00 0.00 N ATOM 971 CA ARG A 64 7.458 7.438 10.460 1.00 0.00 C ATOM 972 C ARG A 64 8.320 7.346 9.206 1.00 0.00 C ATOM 973 O ARG A 64 9.537 7.187 9.291 1.00 0.00 O ATOM 974 CB ARG A 64 8.085 6.605 11.580 1.00 0.00 C ATOM 975 CG ARG A 64 8.244 5.156 11.115 1.00 0.00 C ATOM 976 CD ARG A 64 8.631 4.279 12.305 1.00 0.00 C ATOM 977 NE ARG A 64 8.871 2.909 11.869 1.00 0.00 N ATOM 978 CZ ARG A 64 7.885 2.017 11.825 1.00 0.00 C ATOM 979 NH1 ARG A 64 6.677 2.363 12.175 1.00 0.00 N ATOM 980 NH2 ARG A 64 8.127 0.797 11.433 1.00 0.00 N ATOM 0 H ARG A 64 6.057 6.017 9.812 1.00 0.00 H new ATOM 0 HA ARG A 64 7.404 8.480 10.775 1.00 0.00 H new ATOM 0 HB2 ARG A 64 9.056 7.018 11.854 1.00 0.00 H new ATOM 0 HB3 ARG A 64 7.458 6.645 12.471 1.00 0.00 H new ATOM 0 HG2 ARG A 64 7.313 4.800 10.675 1.00 0.00 H new ATOM 0 HG3 ARG A 64 9.008 5.093 10.340 1.00 0.00 H new ATOM 0 HD2 ARG A 64 9.526 4.677 12.783 1.00 0.00 H new ATOM 0 HD3 ARG A 64 7.837 4.296 13.051 1.00 0.00 H new ATOM 0 HE ARG A 64 9.812 2.629 11.593 1.00 0.00 H new ATOM 0 HH11 ARG A 64 6.489 3.317 12.482 1.00 0.00 H new ATOM 0 HH12 ARG A 64 5.921 1.679 12.141 1.00 0.00 H new ATOM 0 HH21 ARG A 64 9.072 0.527 11.160 1.00 0.00 H new ATOM 0 HH22 ARG A 64 7.371 0.113 11.399 1.00 0.00 H new ATOM 994 N SER A 65 7.669 7.437 8.047 1.00 0.00 N ATOM 995 CA SER A 65 8.360 7.359 6.761 1.00 0.00 C ATOM 996 C SER A 65 8.381 5.920 6.257 1.00 0.00 C ATOM 997 O SER A 65 8.917 5.029 6.914 1.00 0.00 O ATOM 998 CB SER A 65 9.791 7.886 6.879 1.00 0.00 C ATOM 999 OG SER A 65 10.646 6.834 7.305 1.00 0.00 O ATOM 0 H SER A 65 6.660 7.565 7.973 1.00 0.00 H new ATOM 0 HA SER A 65 7.817 7.980 6.048 1.00 0.00 H new ATOM 0 HB2 SER A 65 10.127 8.277 5.919 1.00 0.00 H new ATOM 0 HB3 SER A 65 9.829 8.711 7.590 1.00 0.00 H new ATOM 0 HG SER A 65 10.509 6.668 8.261 1.00 0.00 H new ATOM 1005 N MET A 66 7.789 5.704 5.088 1.00 0.00 N ATOM 1006 CA MET A 66 7.738 4.371 4.502 1.00 0.00 C ATOM 1007 C MET A 66 9.142 3.807 4.309 1.00 0.00 C ATOM 1008 O MET A 66 9.360 2.603 4.443 1.00 0.00 O ATOM 1009 CB MET A 66 7.015 4.422 3.155 1.00 0.00 C ATOM 1010 CG MET A 66 5.558 4.836 3.371 1.00 0.00 C ATOM 1011 SD MET A 66 4.706 3.566 4.341 1.00 0.00 S ATOM 1012 CE MET A 66 3.970 4.673 5.568 1.00 0.00 C ATOM 0 H MET A 66 7.340 6.431 4.530 1.00 0.00 H new ATOM 0 HA MET A 66 7.193 3.718 5.184 1.00 0.00 H new ATOM 0 HB2 MET A 66 7.511 5.131 2.491 1.00 0.00 H new ATOM 0 HB3 MET A 66 7.059 3.447 2.670 1.00 0.00 H new ATOM 0 HG2 MET A 66 5.514 5.794 3.889 1.00 0.00 H new ATOM 0 HG3 MET A 66 5.061 4.970 2.410 1.00 0.00 H new ATOM 0 HE1 MET A 66 4.210 4.317 6.570 1.00 0.00 H new ATOM 0 HE2 MET A 66 4.368 5.679 5.435 1.00 0.00 H new ATOM 0 HE3 MET A 66 2.888 4.691 5.439 1.00 0.00 H new ATOM 1022 N ARG A 67 10.092 4.681 3.991 1.00 0.00 N ATOM 1023 CA ARG A 67 11.469 4.250 3.781 1.00 0.00 C ATOM 1024 C ARG A 67 12.003 3.533 5.017 1.00 0.00 C ATOM 1025 O ARG A 67 12.701 2.526 4.908 1.00 0.00 O ATOM 1026 CB ARG A 67 12.353 5.460 3.475 1.00 0.00 C ATOM 1027 CG ARG A 67 11.893 6.114 2.171 1.00 0.00 C ATOM 1028 CD ARG A 67 12.835 7.267 1.819 1.00 0.00 C ATOM 1029 NE ARG A 67 12.288 8.047 0.714 1.00 0.00 N ATOM 1030 CZ ARG A 67 11.453 9.057 0.933 1.00 0.00 C ATOM 1031 NH1 ARG A 67 11.102 9.360 2.152 1.00 0.00 N ATOM 1032 NH2 ARG A 67 10.983 9.746 -0.071 1.00 0.00 N ATOM 0 H ARG A 67 9.936 5.682 3.874 1.00 0.00 H new ATOM 0 HA ARG A 67 11.487 3.560 2.937 1.00 0.00 H new ATOM 0 HB2 ARG A 67 12.299 6.179 4.293 1.00 0.00 H new ATOM 0 HB3 ARG A 67 13.395 5.150 3.391 1.00 0.00 H new ATOM 0 HG2 ARG A 67 11.884 5.379 1.366 1.00 0.00 H new ATOM 0 HG3 ARG A 67 10.873 6.483 2.277 1.00 0.00 H new ATOM 0 HD2 ARG A 67 12.978 7.907 2.689 1.00 0.00 H new ATOM 0 HD3 ARG A 67 13.815 6.875 1.547 1.00 0.00 H new ATOM 0 HE ARG A 67 12.551 7.813 -0.243 1.00 0.00 H new ATOM 0 HH11 ARG A 67 11.469 8.822 2.937 1.00 0.00 H new ATOM 0 HH12 ARG A 67 10.461 10.135 2.320 1.00 0.00 H new ATOM 0 HH21 ARG A 67 11.257 9.509 -1.025 1.00 0.00 H new ATOM 0 HH22 ARG A 67 10.342 10.521 0.098 1.00 0.00 H new ATOM 1046 N ALA A 68 11.670 4.060 6.191 1.00 0.00 N ATOM 1047 CA ALA A 68 12.123 3.461 7.442 1.00 0.00 C ATOM 1048 C ALA A 68 11.454 2.108 7.668 1.00 0.00 C ATOM 1049 O ALA A 68 12.081 1.169 8.157 1.00 0.00 O ATOM 1050 CB ALA A 68 11.802 4.392 8.611 1.00 0.00 C ATOM 0 H ALA A 68 11.093 4.894 6.303 1.00 0.00 H new ATOM 0 HA ALA A 68 13.201 3.311 7.380 1.00 0.00 H new ATOM 0 HB1 ALA A 68 12.143 3.938 9.542 1.00 0.00 H new ATOM 0 HB2 ALA A 68 12.308 5.346 8.466 1.00 0.00 H new ATOM 0 HB3 ALA A 68 10.726 4.556 8.660 1.00 0.00 H new ATOM 1056 N ALA A 69 10.177 2.020 7.314 1.00 0.00 N ATOM 1057 CA ALA A 69 9.426 0.782 7.489 1.00 0.00 C ATOM 1058 C ALA A 69 10.000 -0.333 6.619 1.00 0.00 C ATOM 1059 O ALA A 69 10.031 -1.494 7.024 1.00 0.00 O ATOM 1060 CB ALA A 69 7.958 1.007 7.123 1.00 0.00 C ATOM 0 H ALA A 69 9.642 2.787 6.906 1.00 0.00 H new ATOM 0 HA ALA A 69 9.503 0.483 8.534 1.00 0.00 H new ATOM 0 HB1 ALA A 69 7.403 0.078 7.256 1.00 0.00 H new ATOM 0 HB2 ALA A 69 7.536 1.777 7.768 1.00 0.00 H new ATOM 0 HB3 ALA A 69 7.887 1.326 6.083 1.00 0.00 H new ATOM 1066 N HIS A 70 10.444 0.026 5.419 1.00 0.00 N ATOM 1067 CA HIS A 70 11.004 -0.960 4.501 1.00 0.00 C ATOM 1068 C HIS A 70 12.521 -1.046 4.650 1.00 0.00 C ATOM 1069 O HIS A 70 13.156 -1.940 4.091 1.00 0.00 O ATOM 1070 CB HIS A 70 10.645 -0.591 3.060 1.00 0.00 C ATOM 1071 CG HIS A 70 9.151 -0.651 2.887 1.00 0.00 C ATOM 1072 ND1 HIS A 70 8.344 0.465 3.039 1.00 0.00 N ATOM 1073 CD2 HIS A 70 8.304 -1.686 2.576 1.00 0.00 C ATOM 1074 CE1 HIS A 70 7.073 0.081 2.823 1.00 0.00 C ATOM 1075 NE2 HIS A 70 6.992 -1.222 2.536 1.00 0.00 N ATOM 0 H HIS A 70 10.428 0.981 5.062 1.00 0.00 H new ATOM 0 HA HIS A 70 10.579 -1.934 4.744 1.00 0.00 H new ATOM 0 HB2 HIS A 70 11.009 0.410 2.827 1.00 0.00 H new ATOM 0 HB3 HIS A 70 11.131 -1.276 2.365 1.00 0.00 H new ATOM 0 HD1 HIS A 70 8.657 1.407 3.272 1.00 0.00 H new ATOM 0 HD2 HIS A 70 8.609 -2.705 2.391 1.00 0.00 H new ATOM 0 HE1 HIS A 70 6.222 0.744 2.875 1.00 0.00 H new ATOM 1083 N GLN A 71 13.098 -0.116 5.406 1.00 0.00 N ATOM 1084 CA GLN A 71 14.543 -0.109 5.615 1.00 0.00 C ATOM 1085 C GLN A 71 15.004 -1.429 6.224 1.00 0.00 C ATOM 1086 O GLN A 71 16.067 -1.944 5.880 1.00 0.00 O ATOM 1087 CB GLN A 71 14.937 1.041 6.543 1.00 0.00 C ATOM 1088 CG GLN A 71 16.462 1.125 6.633 1.00 0.00 C ATOM 1089 CD GLN A 71 16.869 2.269 7.555 1.00 0.00 C ATOM 1090 OE1 GLN A 71 16.020 3.040 8.001 1.00 0.00 O ATOM 1091 NE2 GLN A 71 18.127 2.426 7.870 1.00 0.00 N ATOM 0 H GLN A 71 12.594 0.634 5.879 1.00 0.00 H new ATOM 0 HA GLN A 71 15.025 0.024 4.647 1.00 0.00 H new ATOM 0 HB2 GLN A 71 14.532 1.981 6.167 1.00 0.00 H new ATOM 0 HB3 GLN A 71 14.512 0.884 7.534 1.00 0.00 H new ATOM 0 HG2 GLN A 71 16.865 0.184 7.008 1.00 0.00 H new ATOM 0 HG3 GLN A 71 16.885 1.279 5.640 1.00 0.00 H new ATOM 0 HE21 GLN A 71 18.829 1.786 7.499 1.00 0.00 H new ATOM 0 HE22 GLN A 71 18.407 3.189 8.487 1.00 0.00 H new ATOM 1100 N ASP A 72 14.199 -1.969 7.133 1.00 0.00 N ATOM 1101 CA ASP A 72 14.538 -3.227 7.787 1.00 0.00 C ATOM 1102 C ASP A 72 14.748 -4.331 6.756 1.00 0.00 C ATOM 1103 O ASP A 72 15.653 -5.155 6.892 1.00 0.00 O ATOM 1104 CB ASP A 72 13.422 -3.631 8.751 1.00 0.00 C ATOM 1105 CG ASP A 72 13.349 -2.641 9.908 1.00 0.00 C ATOM 1106 OD1 ASP A 72 14.270 -1.853 10.045 1.00 0.00 O ATOM 1107 OD2 ASP A 72 12.375 -2.688 10.641 1.00 0.00 O ATOM 0 H ASP A 72 13.314 -1.559 7.432 1.00 0.00 H new ATOM 0 HA ASP A 72 15.465 -3.086 8.343 1.00 0.00 H new ATOM 0 HB2 ASP A 72 12.468 -3.659 8.225 1.00 0.00 H new ATOM 0 HB3 ASP A 72 13.605 -4.636 9.132 1.00 0.00 H new ATOM 1112 N LEU A 73 13.909 -4.342 5.726 1.00 0.00 N ATOM 1113 CA LEU A 73 14.019 -5.354 4.680 1.00 0.00 C ATOM 1114 C LEU A 73 15.360 -5.237 3.962 1.00 0.00 C ATOM 1115 O LEU A 73 15.989 -6.241 3.633 1.00 0.00 O ATOM 1116 CB LEU A 73 12.883 -5.184 3.668 1.00 0.00 C ATOM 1117 CG LEU A 73 11.534 -5.264 4.386 1.00 0.00 C ATOM 1118 CD1 LEU A 73 10.405 -5.143 3.362 1.00 0.00 C ATOM 1119 CD2 LEU A 73 11.419 -6.608 5.110 1.00 0.00 C ATOM 0 H LEU A 73 13.153 -3.670 5.593 1.00 0.00 H new ATOM 0 HA LEU A 73 13.950 -6.338 5.144 1.00 0.00 H new ATOM 0 HB2 LEU A 73 12.978 -4.225 3.158 1.00 0.00 H new ATOM 0 HB3 LEU A 73 12.945 -5.959 2.904 1.00 0.00 H new ATOM 0 HG LEU A 73 11.460 -4.453 5.110 1.00 0.00 H new ATOM 0 HD11 LEU A 73 9.443 -5.200 3.872 1.00 0.00 H new ATOM 0 HD12 LEU A 73 10.485 -4.187 2.844 1.00 0.00 H new ATOM 0 HD13 LEU A 73 10.481 -5.955 2.639 1.00 0.00 H new ATOM 0 HD21 LEU A 73 10.458 -6.665 5.621 1.00 0.00 H new ATOM 0 HD22 LEU A 73 11.493 -7.419 4.386 1.00 0.00 H new ATOM 0 HD23 LEU A 73 12.224 -6.698 5.839 1.00 0.00 H new ATOM 1131 N VAL A 74 15.787 -4.002 3.723 1.00 0.00 N ATOM 1132 CA VAL A 74 17.054 -3.758 3.044 1.00 0.00 C ATOM 1133 C VAL A 74 18.230 -4.204 3.906 1.00 0.00 C ATOM 1134 O VAL A 74 19.184 -4.804 3.411 1.00 0.00 O ATOM 1135 CB VAL A 74 17.192 -2.267 2.727 1.00 0.00 C ATOM 1136 CG1 VAL A 74 18.583 -1.990 2.153 1.00 0.00 C ATOM 1137 CG2 VAL A 74 16.130 -1.862 1.701 1.00 0.00 C ATOM 0 H VAL A 74 15.278 -3.159 3.988 1.00 0.00 H new ATOM 0 HA VAL A 74 17.062 -4.335 2.119 1.00 0.00 H new ATOM 0 HB VAL A 74 17.055 -1.690 3.642 1.00 0.00 H new ATOM 0 HG11 VAL A 74 18.679 -0.928 1.928 1.00 0.00 H new ATOM 0 HG12 VAL A 74 19.341 -2.276 2.882 1.00 0.00 H new ATOM 0 HG13 VAL A 74 18.721 -2.568 1.239 1.00 0.00 H new ATOM 0 HG21 VAL A 74 16.228 -0.800 1.475 1.00 0.00 H new ATOM 0 HG22 VAL A 74 16.267 -2.441 0.788 1.00 0.00 H new ATOM 0 HG23 VAL A 74 15.138 -2.056 2.108 1.00 0.00 H new ATOM 1147 N GLU A 75 18.158 -3.900 5.197 1.00 0.00 N ATOM 1148 CA GLU A 75 19.225 -4.264 6.120 1.00 0.00 C ATOM 1149 C GLU A 75 19.364 -5.780 6.232 1.00 0.00 C ATOM 1150 O GLU A 75 20.471 -6.299 6.379 1.00 0.00 O ATOM 1151 CB GLU A 75 18.940 -3.675 7.503 1.00 0.00 C ATOM 1152 CG GLU A 75 18.955 -2.146 7.423 1.00 0.00 C ATOM 1153 CD GLU A 75 20.342 -1.656 7.016 1.00 0.00 C ATOM 1154 OE1 GLU A 75 21.282 -2.420 7.152 1.00 0.00 O ATOM 1155 OE2 GLU A 75 20.442 -0.522 6.579 1.00 0.00 O ATOM 0 H GLU A 75 17.376 -3.405 5.626 1.00 0.00 H new ATOM 0 HA GLU A 75 20.160 -3.859 5.732 1.00 0.00 H new ATOM 0 HB2 GLU A 75 17.971 -4.021 7.864 1.00 0.00 H new ATOM 0 HB3 GLU A 75 19.688 -4.019 8.217 1.00 0.00 H new ATOM 0 HG2 GLU A 75 18.214 -1.805 6.701 1.00 0.00 H new ATOM 0 HG3 GLU A 75 18.679 -1.721 8.388 1.00 0.00 H new ATOM 1162 N ASN A 76 18.240 -6.488 6.170 1.00 0.00 N ATOM 1163 CA ASN A 76 18.267 -7.944 6.275 1.00 0.00 C ATOM 1164 C ASN A 76 18.451 -8.590 4.905 1.00 0.00 C ATOM 1165 O ASN A 76 19.441 -9.279 4.661 1.00 0.00 O ATOM 1166 CB ASN A 76 16.965 -8.442 6.901 1.00 0.00 C ATOM 1167 CG ASN A 76 16.819 -7.890 8.314 1.00 0.00 C ATOM 1168 OD1 ASN A 76 17.807 -7.493 8.930 1.00 0.00 O ATOM 1169 ND2 ASN A 76 15.638 -7.839 8.866 1.00 0.00 N ATOM 0 H ASN A 76 17.311 -6.085 6.049 1.00 0.00 H new ATOM 0 HA ASN A 76 19.111 -8.223 6.906 1.00 0.00 H new ATOM 0 HB2 ASN A 76 16.117 -8.131 6.291 1.00 0.00 H new ATOM 0 HB3 ASN A 76 16.957 -9.532 6.925 1.00 0.00 H new ATOM 0 HD21 ASN A 76 15.532 -7.469 9.811 1.00 0.00 H new ATOM 0 HD22 ASN A 76 14.821 -8.169 8.353 1.00 0.00 H new ATOM 1176 N ALA A 77 17.490 -8.365 4.017 1.00 0.00 N ATOM 1177 CA ALA A 77 17.555 -8.932 2.674 1.00 0.00 C ATOM 1178 C ALA A 77 17.786 -7.840 1.636 1.00 0.00 C ATOM 1179 O ALA A 77 17.309 -6.715 1.789 1.00 0.00 O ATOM 1180 CB ALA A 77 16.255 -9.673 2.357 1.00 0.00 C ATOM 0 H ALA A 77 16.662 -7.798 4.200 1.00 0.00 H new ATOM 0 HA ALA A 77 18.391 -9.630 2.638 1.00 0.00 H new ATOM 0 HB1 ALA A 77 16.311 -10.093 1.353 1.00 0.00 H new ATOM 0 HB2 ALA A 77 16.109 -10.476 3.079 1.00 0.00 H new ATOM 0 HB3 ALA A 77 15.417 -8.978 2.413 1.00 0.00 H new ATOM 1186 N GLY A 78 18.509 -8.180 0.573 1.00 0.00 N ATOM 1187 CA GLY A 78 18.780 -7.219 -0.487 1.00 0.00 C ATOM 1188 C GLY A 78 17.548 -7.038 -1.367 1.00 0.00 C ATOM 1189 O GLY A 78 17.131 -7.964 -2.061 1.00 0.00 O ATOM 0 H GLY A 78 18.913 -9.105 0.425 1.00 0.00 H new ATOM 0 HA2 GLY A 78 19.069 -6.262 -0.054 1.00 0.00 H new ATOM 0 HA3 GLY A 78 19.620 -7.562 -1.092 1.00 0.00 H new ATOM 1193 N LEU A 79 16.965 -5.845 -1.325 1.00 0.00 N ATOM 1194 CA LEU A 79 15.774 -5.561 -2.118 1.00 0.00 C ATOM 1195 C LEU A 79 16.144 -4.806 -3.390 1.00 0.00 C ATOM 1196 O LEU A 79 16.852 -3.799 -3.343 1.00 0.00 O ATOM 1197 CB LEU A 79 14.792 -4.728 -1.292 1.00 0.00 C ATOM 1198 CG LEU A 79 13.449 -4.642 -2.019 1.00 0.00 C ATOM 1199 CD1 LEU A 79 12.641 -5.918 -1.769 1.00 0.00 C ATOM 1200 CD2 LEU A 79 12.666 -3.437 -1.495 1.00 0.00 C ATOM 0 H LEU A 79 17.294 -5.065 -0.756 1.00 0.00 H new ATOM 0 HA LEU A 79 15.307 -6.506 -2.397 1.00 0.00 H new ATOM 0 HB2 LEU A 79 14.656 -5.178 -0.309 1.00 0.00 H new ATOM 0 HB3 LEU A 79 15.194 -3.728 -1.132 1.00 0.00 H new ATOM 0 HG LEU A 79 13.625 -4.531 -3.089 1.00 0.00 H new ATOM 0 HD11 LEU A 79 11.685 -5.851 -2.289 1.00 0.00 H new ATOM 0 HD12 LEU A 79 13.197 -6.779 -2.140 1.00 0.00 H new ATOM 0 HD13 LEU A 79 12.465 -6.033 -0.700 1.00 0.00 H new ATOM 0 HD21 LEU A 79 11.708 -3.373 -2.011 1.00 0.00 H new ATOM 0 HD22 LEU A 79 12.494 -3.552 -0.425 1.00 0.00 H new ATOM 0 HD23 LEU A 79 13.237 -2.526 -1.675 1.00 0.00 H new ATOM 1212 N THR A 80 15.661 -5.297 -4.527 1.00 0.00 N ATOM 1213 CA THR A 80 15.948 -4.660 -5.807 1.00 0.00 C ATOM 1214 C THR A 80 14.655 -4.332 -6.552 1.00 0.00 C ATOM 1215 O THR A 80 13.574 -4.780 -6.169 1.00 0.00 O ATOM 1216 CB THR A 80 16.831 -5.573 -6.663 1.00 0.00 C ATOM 1217 OG1 THR A 80 16.158 -6.800 -6.894 1.00 0.00 O ATOM 1218 CG2 THR A 80 18.149 -5.838 -5.933 1.00 0.00 C ATOM 0 H THR A 80 15.073 -6.128 -4.588 1.00 0.00 H new ATOM 0 HA THR A 80 16.479 -3.728 -5.615 1.00 0.00 H new ATOM 0 HB THR A 80 17.038 -5.090 -7.618 1.00 0.00 H new ATOM 0 HG1 THR A 80 15.347 -6.836 -6.346 1.00 0.00 H new ATOM 0 HG21 THR A 80 18.778 -6.488 -6.542 1.00 0.00 H new ATOM 0 HG22 THR A 80 18.665 -4.894 -5.759 1.00 0.00 H new ATOM 0 HG23 THR A 80 17.945 -6.322 -4.978 1.00 0.00 H new ATOM 1226 N ASP A 81 14.777 -3.534 -7.608 1.00 0.00 N ATOM 1227 CA ASP A 81 13.618 -3.127 -8.397 1.00 0.00 C ATOM 1228 C ASP A 81 12.832 -4.332 -8.909 1.00 0.00 C ATOM 1229 O ASP A 81 11.603 -4.297 -8.966 1.00 0.00 O ATOM 1230 CB ASP A 81 14.073 -2.280 -9.587 1.00 0.00 C ATOM 1231 CG ASP A 81 14.640 -0.953 -9.097 1.00 0.00 C ATOM 1232 OD1 ASP A 81 14.322 -0.570 -7.983 1.00 0.00 O ATOM 1233 OD2 ASP A 81 15.380 -0.336 -9.845 1.00 0.00 O ATOM 0 H ASP A 81 15.665 -3.156 -7.937 1.00 0.00 H new ATOM 0 HA ASP A 81 12.965 -2.544 -7.748 1.00 0.00 H new ATOM 0 HB2 ASP A 81 14.829 -2.818 -10.159 1.00 0.00 H new ATOM 0 HB3 ASP A 81 13.233 -2.100 -10.258 1.00 0.00 H new ATOM 1238 N VAL A 82 13.538 -5.392 -9.291 1.00 0.00 N ATOM 1239 CA VAL A 82 12.871 -6.583 -9.807 1.00 0.00 C ATOM 1240 C VAL A 82 11.826 -7.086 -8.814 1.00 0.00 C ATOM 1241 O VAL A 82 10.741 -7.514 -9.206 1.00 0.00 O ATOM 1242 CB VAL A 82 13.894 -7.688 -10.080 1.00 0.00 C ATOM 1243 CG1 VAL A 82 14.266 -8.383 -8.772 1.00 0.00 C ATOM 1244 CG2 VAL A 82 13.292 -8.712 -11.045 1.00 0.00 C ATOM 0 H VAL A 82 14.556 -5.452 -9.254 1.00 0.00 H new ATOM 0 HA VAL A 82 12.373 -6.317 -10.739 1.00 0.00 H new ATOM 0 HB VAL A 82 14.788 -7.248 -10.522 1.00 0.00 H new ATOM 0 HG11 VAL A 82 14.994 -9.169 -8.972 1.00 0.00 H new ATOM 0 HG12 VAL A 82 14.696 -7.656 -8.083 1.00 0.00 H new ATOM 0 HG13 VAL A 82 13.373 -8.821 -8.326 1.00 0.00 H new ATOM 0 HG21 VAL A 82 14.020 -9.500 -11.240 1.00 0.00 H new ATOM 0 HG22 VAL A 82 12.396 -9.147 -10.602 1.00 0.00 H new ATOM 0 HG23 VAL A 82 13.030 -8.219 -11.982 1.00 0.00 H new ATOM 1254 N HIS A 83 12.155 -7.025 -7.527 1.00 0.00 N ATOM 1255 CA HIS A 83 11.231 -7.471 -6.493 1.00 0.00 C ATOM 1256 C HIS A 83 9.942 -6.660 -6.545 1.00 0.00 C ATOM 1257 O HIS A 83 8.845 -7.210 -6.455 1.00 0.00 O ATOM 1258 CB HIS A 83 11.876 -7.324 -5.114 1.00 0.00 C ATOM 1259 CG HIS A 83 13.047 -8.262 -5.006 1.00 0.00 C ATOM 1260 ND1 HIS A 83 14.357 -7.810 -4.986 1.00 0.00 N ATOM 1261 CD2 HIS A 83 13.121 -9.630 -4.915 1.00 0.00 C ATOM 1262 CE1 HIS A 83 15.157 -8.888 -4.887 1.00 0.00 C ATOM 1263 NE2 HIS A 83 14.454 -10.023 -4.839 1.00 0.00 N ATOM 0 H HIS A 83 13.047 -6.674 -7.179 1.00 0.00 H new ATOM 0 HA HIS A 83 10.995 -8.520 -6.670 1.00 0.00 H new ATOM 0 HB2 HIS A 83 12.205 -6.296 -4.962 1.00 0.00 H new ATOM 0 HB3 HIS A 83 11.147 -7.544 -4.334 1.00 0.00 H new ATOM 0 HD2 HIS A 83 12.274 -10.299 -4.904 1.00 0.00 H new ATOM 0 HE1 HIS A 83 16.235 -8.841 -4.851 1.00 0.00 H new ATOM 0 HE2 HIS A 83 14.816 -10.973 -4.763 1.00 0.00 H new ATOM 1271 N PHE A 84 10.084 -5.346 -6.696 1.00 0.00 N ATOM 1272 CA PHE A 84 8.925 -4.464 -6.763 1.00 0.00 C ATOM 1273 C PHE A 84 8.035 -4.846 -7.941 1.00 0.00 C ATOM 1274 O PHE A 84 6.813 -4.918 -7.813 1.00 0.00 O ATOM 1275 CB PHE A 84 9.383 -3.013 -6.916 1.00 0.00 C ATOM 1276 CG PHE A 84 8.187 -2.093 -6.851 1.00 0.00 C ATOM 1277 CD1 PHE A 84 7.714 -1.646 -5.613 1.00 0.00 C ATOM 1278 CD2 PHE A 84 7.551 -1.688 -8.031 1.00 0.00 C ATOM 1279 CE1 PHE A 84 6.605 -0.793 -5.553 1.00 0.00 C ATOM 1280 CE2 PHE A 84 6.443 -0.835 -7.972 1.00 0.00 C ATOM 1281 CZ PHE A 84 5.970 -0.388 -6.733 1.00 0.00 C ATOM 0 H PHE A 84 10.984 -4.872 -6.774 1.00 0.00 H new ATOM 0 HA PHE A 84 8.355 -4.568 -5.840 1.00 0.00 H new ATOM 0 HB2 PHE A 84 10.092 -2.760 -6.128 1.00 0.00 H new ATOM 0 HB3 PHE A 84 9.903 -2.884 -7.865 1.00 0.00 H new ATOM 0 HD1 PHE A 84 8.204 -1.959 -4.703 1.00 0.00 H new ATOM 0 HD2 PHE A 84 7.916 -2.034 -8.987 1.00 0.00 H new ATOM 0 HE1 PHE A 84 6.240 -0.448 -4.597 1.00 0.00 H new ATOM 0 HE2 PHE A 84 5.953 -0.522 -8.882 1.00 0.00 H new ATOM 0 HZ PHE A 84 5.115 0.270 -6.687 1.00 0.00 H new ATOM 1291 N ASP A 85 8.656 -5.089 -9.088 1.00 0.00 N ATOM 1292 CA ASP A 85 7.913 -5.464 -10.286 1.00 0.00 C ATOM 1293 C ASP A 85 7.220 -6.811 -10.096 1.00 0.00 C ATOM 1294 O ASP A 85 6.141 -7.045 -10.639 1.00 0.00 O ATOM 1295 CB ASP A 85 8.859 -5.542 -11.486 1.00 0.00 C ATOM 1296 CG ASP A 85 8.056 -5.723 -12.769 1.00 0.00 C ATOM 1297 OD1 ASP A 85 6.840 -5.675 -12.694 1.00 0.00 O ATOM 1298 OD2 ASP A 85 8.670 -5.906 -13.807 1.00 0.00 O ATOM 0 H ASP A 85 9.667 -5.034 -9.215 1.00 0.00 H new ATOM 0 HA ASP A 85 7.154 -4.703 -10.468 1.00 0.00 H new ATOM 0 HB2 ASP A 85 9.459 -4.634 -11.547 1.00 0.00 H new ATOM 0 HB3 ASP A 85 9.552 -6.374 -11.360 1.00 0.00 H new ATOM 1303 N ALA A 86 7.855 -7.697 -9.335 1.00 0.00 N ATOM 1304 CA ALA A 86 7.297 -9.026 -9.098 1.00 0.00 C ATOM 1305 C ALA A 86 5.886 -8.943 -8.522 1.00 0.00 C ATOM 1306 O ALA A 86 4.935 -9.445 -9.122 1.00 0.00 O ATOM 1307 CB ALA A 86 8.196 -9.801 -8.133 1.00 0.00 C ATOM 0 H ALA A 86 8.748 -7.522 -8.875 1.00 0.00 H new ATOM 0 HA ALA A 86 7.246 -9.544 -10.056 1.00 0.00 H new ATOM 0 HB1 ALA A 86 7.775 -10.791 -7.960 1.00 0.00 H new ATOM 0 HB2 ALA A 86 9.192 -9.900 -8.564 1.00 0.00 H new ATOM 0 HB3 ALA A 86 8.262 -9.264 -7.187 1.00 0.00 H new ATOM 1313 N ILE A 87 5.750 -8.313 -7.359 1.00 0.00 N ATOM 1314 CA ILE A 87 4.440 -8.188 -6.729 1.00 0.00 C ATOM 1315 C ILE A 87 3.503 -7.359 -7.602 1.00 0.00 C ATOM 1316 O ILE A 87 2.284 -7.533 -7.563 1.00 0.00 O ATOM 1317 CB ILE A 87 4.574 -7.540 -5.346 1.00 0.00 C ATOM 1318 CG1 ILE A 87 3.299 -7.790 -4.536 1.00 0.00 C ATOM 1319 CG2 ILE A 87 4.782 -6.032 -5.501 1.00 0.00 C ATOM 1320 CD1 ILE A 87 3.537 -7.395 -3.077 1.00 0.00 C ATOM 0 H ILE A 87 6.518 -7.887 -6.840 1.00 0.00 H new ATOM 0 HA ILE A 87 4.019 -9.187 -6.613 1.00 0.00 H new ATOM 0 HB ILE A 87 5.429 -7.976 -4.829 1.00 0.00 H new ATOM 0 HG12 ILE A 87 2.473 -7.212 -4.950 1.00 0.00 H new ATOM 0 HG13 ILE A 87 3.016 -8.841 -4.598 1.00 0.00 H new ATOM 0 HG21 ILE A 87 4.877 -5.575 -4.516 1.00 0.00 H new ATOM 0 HG22 ILE A 87 5.689 -5.847 -6.076 1.00 0.00 H new ATOM 0 HG23 ILE A 87 3.928 -5.599 -6.022 1.00 0.00 H new ATOM 0 HD11 ILE A 87 2.630 -7.573 -2.499 1.00 0.00 H new ATOM 0 HD12 ILE A 87 4.351 -7.992 -2.667 1.00 0.00 H new ATOM 0 HD13 ILE A 87 3.800 -6.338 -3.024 1.00 0.00 H new ATOM 1332 N ALA A 88 4.081 -6.458 -8.392 1.00 0.00 N ATOM 1333 CA ALA A 88 3.286 -5.609 -9.272 1.00 0.00 C ATOM 1334 C ALA A 88 2.575 -6.448 -10.330 1.00 0.00 C ATOM 1335 O ALA A 88 1.401 -6.225 -10.627 1.00 0.00 O ATOM 1336 CB ALA A 88 4.186 -4.579 -9.956 1.00 0.00 C ATOM 0 H ALA A 88 5.087 -6.298 -8.441 1.00 0.00 H new ATOM 0 HA ALA A 88 2.537 -5.095 -8.669 1.00 0.00 H new ATOM 0 HB1 ALA A 88 3.585 -3.949 -10.611 1.00 0.00 H new ATOM 0 HB2 ALA A 88 4.670 -3.960 -9.201 1.00 0.00 H new ATOM 0 HB3 ALA A 88 4.946 -5.093 -10.544 1.00 0.00 H new ATOM 1342 N GLU A 89 3.293 -7.415 -10.893 1.00 0.00 N ATOM 1343 CA GLU A 89 2.716 -8.282 -11.913 1.00 0.00 C ATOM 1344 C GLU A 89 1.588 -9.124 -11.327 1.00 0.00 C ATOM 1345 O GLU A 89 0.602 -9.413 -12.002 1.00 0.00 O ATOM 1346 CB GLU A 89 3.794 -9.201 -12.494 1.00 0.00 C ATOM 1347 CG GLU A 89 4.804 -8.373 -13.294 1.00 0.00 C ATOM 1348 CD GLU A 89 4.117 -7.721 -14.490 1.00 0.00 C ATOM 1349 OE1 GLU A 89 3.032 -8.160 -14.836 1.00 0.00 O ATOM 1350 OE2 GLU A 89 4.686 -6.795 -15.043 1.00 0.00 O ATOM 0 H GLU A 89 4.266 -7.616 -10.663 1.00 0.00 H new ATOM 0 HA GLU A 89 2.311 -7.654 -12.706 1.00 0.00 H new ATOM 0 HB2 GLU A 89 4.302 -9.734 -11.691 1.00 0.00 H new ATOM 0 HB3 GLU A 89 3.336 -9.953 -13.136 1.00 0.00 H new ATOM 0 HG2 GLU A 89 5.245 -7.607 -12.656 1.00 0.00 H new ATOM 0 HG3 GLU A 89 5.619 -9.011 -13.636 1.00 0.00 H new ATOM 1357 N ASN A 90 1.741 -9.515 -10.065 1.00 0.00 N ATOM 1358 CA ASN A 90 0.725 -10.324 -9.403 1.00 0.00 C ATOM 1359 C ASN A 90 -0.632 -9.631 -9.467 1.00 0.00 C ATOM 1360 O ASN A 90 -1.661 -10.277 -9.669 1.00 0.00 O ATOM 1361 CB ASN A 90 1.113 -10.558 -7.942 1.00 0.00 C ATOM 1362 CG ASN A 90 2.388 -11.392 -7.869 1.00 0.00 C ATOM 1363 OD1 ASN A 90 2.770 -12.033 -8.848 1.00 0.00 O ATOM 1364 ND2 ASN A 90 3.074 -11.422 -6.759 1.00 0.00 N ATOM 0 H ASN A 90 2.550 -9.287 -9.486 1.00 0.00 H new ATOM 0 HA ASN A 90 0.657 -11.283 -9.917 1.00 0.00 H new ATOM 0 HB2 ASN A 90 1.264 -9.603 -7.440 1.00 0.00 H new ATOM 0 HB3 ASN A 90 0.304 -11.068 -7.419 1.00 0.00 H new ATOM 0 HD21 ASN A 90 3.928 -11.977 -6.702 1.00 0.00 H new ATOM 0 HD22 ASN A 90 2.756 -10.890 -5.949 1.00 0.00 H new ATOM 1371 N LEU A 91 -0.628 -8.312 -9.298 1.00 0.00 N ATOM 1372 CA LEU A 91 -1.866 -7.544 -9.345 1.00 0.00 C ATOM 1373 C LEU A 91 -2.486 -7.614 -10.736 1.00 0.00 C ATOM 1374 O LEU A 91 -3.703 -7.724 -10.878 1.00 0.00 O ATOM 1375 CB LEU A 91 -1.588 -6.084 -8.977 1.00 0.00 C ATOM 1376 CG LEU A 91 -2.907 -5.311 -8.906 1.00 0.00 C ATOM 1377 CD1 LEU A 91 -3.751 -5.834 -7.740 1.00 0.00 C ATOM 1378 CD2 LEU A 91 -2.614 -3.824 -8.692 1.00 0.00 C ATOM 0 H LEU A 91 0.211 -7.757 -9.129 1.00 0.00 H new ATOM 0 HA LEU A 91 -2.566 -7.971 -8.627 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -1.073 -6.032 -8.018 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -0.929 -5.631 -9.718 1.00 0.00 H new ATOM 0 HG LEU A 91 -3.455 -5.447 -9.838 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -4.689 -5.281 -7.693 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -3.961 -6.893 -7.889 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -3.204 -5.701 -6.807 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -3.552 -3.272 -8.641 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -2.064 -3.692 -7.760 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -2.016 -3.448 -9.522 1.00 0.00 H new ATOM 1390 N VAL A 92 -1.641 -7.549 -11.761 1.00 0.00 N ATOM 1391 CA VAL A 92 -2.121 -7.604 -13.137 1.00 0.00 C ATOM 1392 C VAL A 92 -2.760 -8.958 -13.431 1.00 0.00 C ATOM 1393 O VAL A 92 -3.834 -9.030 -14.028 1.00 0.00 O ATOM 1394 CB VAL A 92 -0.958 -7.367 -14.102 1.00 0.00 C ATOM 1395 CG1 VAL A 92 -1.433 -7.592 -15.538 1.00 0.00 C ATOM 1396 CG2 VAL A 92 -0.458 -5.928 -13.952 1.00 0.00 C ATOM 0 H VAL A 92 -0.629 -7.459 -11.666 1.00 0.00 H new ATOM 0 HA VAL A 92 -2.872 -6.826 -13.271 1.00 0.00 H new ATOM 0 HB VAL A 92 -0.149 -8.061 -13.873 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -0.605 -7.423 -16.226 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -1.792 -8.616 -15.646 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -2.242 -6.898 -15.767 1.00 0.00 H new ATOM 0 HG21 VAL A 92 0.371 -5.757 -14.639 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -1.268 -5.236 -14.181 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -0.120 -5.765 -12.929 1.00 0.00 H new ATOM 1406 N LEU A 93 -2.093 -10.026 -13.009 1.00 0.00 N ATOM 1407 CA LEU A 93 -2.606 -11.373 -13.234 1.00 0.00 C ATOM 1408 C LEU A 93 -3.911 -11.586 -12.473 1.00 0.00 C ATOM 1409 O LEU A 93 -4.808 -12.285 -12.944 1.00 0.00 O ATOM 1410 CB LEU A 93 -1.572 -12.407 -12.784 1.00 0.00 C ATOM 1411 CG LEU A 93 -0.265 -12.195 -13.550 1.00 0.00 C ATOM 1412 CD1 LEU A 93 0.764 -13.236 -13.104 1.00 0.00 C ATOM 1413 CD2 LEU A 93 -0.522 -12.349 -15.051 1.00 0.00 C ATOM 0 H LEU A 93 -1.203 -9.987 -12.513 1.00 0.00 H new ATOM 0 HA LEU A 93 -2.800 -11.494 -14.300 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -1.396 -12.317 -11.712 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -1.949 -13.414 -12.961 1.00 0.00 H new ATOM 0 HG LEU A 93 0.116 -11.194 -13.345 1.00 0.00 H new ATOM 0 HD11 LEU A 93 1.695 -13.084 -13.650 1.00 0.00 H new ATOM 0 HD12 LEU A 93 0.949 -13.130 -12.035 1.00 0.00 H new ATOM 0 HD13 LEU A 93 0.382 -14.236 -13.309 1.00 0.00 H new ATOM 0 HD21 LEU A 93 0.409 -12.198 -15.597 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -0.903 -13.350 -15.254 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -1.255 -11.609 -15.372 1.00 0.00 H new ATOM 1425 N THR A 94 -4.010 -10.980 -11.293 1.00 0.00 N ATOM 1426 CA THR A 94 -5.212 -11.116 -10.476 1.00 0.00 C ATOM 1427 C THR A 94 -6.439 -10.639 -11.243 1.00 0.00 C ATOM 1428 O THR A 94 -7.490 -11.280 -11.213 1.00 0.00 O ATOM 1429 CB THR A 94 -5.061 -10.296 -9.191 1.00 0.00 C ATOM 1430 OG1 THR A 94 -3.852 -10.659 -8.539 1.00 0.00 O ATOM 1431 CG2 THR A 94 -6.244 -10.572 -8.262 1.00 0.00 C ATOM 0 H THR A 94 -3.281 -10.396 -10.884 1.00 0.00 H new ATOM 0 HA THR A 94 -5.342 -12.169 -10.225 1.00 0.00 H new ATOM 0 HB THR A 94 -5.038 -9.235 -9.440 1.00 0.00 H new ATOM 0 HG1 THR A 94 -3.113 -10.128 -8.902 1.00 0.00 H new ATOM 0 HG21 THR A 94 -6.134 -9.987 -7.349 1.00 0.00 H new ATOM 0 HG22 THR A 94 -7.172 -10.293 -8.762 1.00 0.00 H new ATOM 0 HG23 THR A 94 -6.271 -11.633 -8.013 1.00 0.00 H new ATOM 1439 N LEU A 95 -6.301 -9.512 -11.933 1.00 0.00 N ATOM 1440 CA LEU A 95 -7.408 -8.961 -12.706 1.00 0.00 C ATOM 1441 C LEU A 95 -7.774 -9.894 -13.857 1.00 0.00 C ATOM 1442 O LEU A 95 -8.947 -10.030 -14.206 1.00 0.00 O ATOM 1443 CB LEU A 95 -7.028 -7.584 -13.257 1.00 0.00 C ATOM 1444 CG LEU A 95 -6.644 -6.655 -12.103 1.00 0.00 C ATOM 1445 CD1 LEU A 95 -6.316 -5.265 -12.651 1.00 0.00 C ATOM 1446 CD2 LEU A 95 -7.812 -6.547 -11.120 1.00 0.00 C ATOM 0 H LEU A 95 -5.441 -8.966 -11.973 1.00 0.00 H new ATOM 0 HA LEU A 95 -8.272 -8.860 -12.049 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -6.195 -7.678 -13.954 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -7.864 -7.161 -13.814 1.00 0.00 H new ATOM 0 HG LEU A 95 -5.772 -7.061 -11.590 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -6.043 -4.605 -11.828 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -5.483 -5.337 -13.350 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -7.188 -4.862 -13.166 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -7.537 -5.885 -10.299 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -8.684 -6.144 -11.634 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -8.048 -7.535 -10.726 1.00 0.00 H new ATOM 1458 N GLN A 96 -6.765 -10.530 -14.444 1.00 0.00 N ATOM 1459 CA GLN A 96 -6.997 -11.445 -15.557 1.00 0.00 C ATOM 1460 C GLN A 96 -7.899 -12.598 -15.128 1.00 0.00 C ATOM 1461 O GLN A 96 -8.754 -13.047 -15.892 1.00 0.00 O ATOM 1462 CB GLN A 96 -5.663 -11.998 -16.063 1.00 0.00 C ATOM 1463 CG GLN A 96 -4.825 -10.856 -16.642 1.00 0.00 C ATOM 1464 CD GLN A 96 -3.471 -11.385 -17.105 1.00 0.00 C ATOM 1465 OE1 GLN A 96 -3.077 -12.491 -16.735 1.00 0.00 O ATOM 1466 NE2 GLN A 96 -2.733 -10.657 -17.897 1.00 0.00 N ATOM 0 H GLN A 96 -5.787 -10.430 -14.171 1.00 0.00 H new ATOM 0 HA GLN A 96 -7.491 -10.894 -16.358 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -5.125 -12.481 -15.248 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -5.837 -12.758 -16.825 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -5.351 -10.396 -17.479 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -4.684 -10.080 -15.890 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -3.062 -9.741 -18.202 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -1.827 -11.004 -18.211 1.00 0.00 H new ATOM 1475 N GLU A 97 -7.705 -13.071 -13.901 1.00 0.00 N ATOM 1476 CA GLU A 97 -8.511 -14.169 -13.380 1.00 0.00 C ATOM 1477 C GLU A 97 -9.971 -13.749 -13.254 1.00 0.00 C ATOM 1478 O GLU A 97 -10.879 -14.571 -13.383 1.00 0.00 O ATOM 1479 CB GLU A 97 -7.981 -14.607 -12.012 1.00 0.00 C ATOM 1480 CG GLU A 97 -6.577 -15.194 -12.173 1.00 0.00 C ATOM 1481 CD GLU A 97 -6.075 -15.716 -10.831 1.00 0.00 C ATOM 1482 OE1 GLU A 97 -6.734 -15.468 -9.836 1.00 0.00 O ATOM 1483 OE2 GLU A 97 -5.037 -16.359 -10.819 1.00 0.00 O ATOM 0 H GLU A 97 -7.002 -12.714 -13.253 1.00 0.00 H new ATOM 0 HA GLU A 97 -8.445 -15.005 -14.077 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -7.955 -13.757 -11.331 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -8.648 -15.348 -11.572 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -6.593 -16.002 -12.904 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -5.897 -14.433 -12.554 1.00 0.00 H new ATOM 1490 N LEU A 98 -10.187 -12.463 -12.997 1.00 0.00 N ATOM 1491 CA LEU A 98 -11.540 -11.938 -12.852 1.00 0.00 C ATOM 1492 C LEU A 98 -12.160 -11.669 -14.219 1.00 0.00 C ATOM 1493 O LEU A 98 -13.278 -11.164 -14.317 1.00 0.00 O ATOM 1494 CB LEU A 98 -11.512 -10.642 -12.038 1.00 0.00 C ATOM 1495 CG LEU A 98 -10.805 -10.890 -10.703 1.00 0.00 C ATOM 1496 CD1 LEU A 98 -10.853 -9.616 -9.858 1.00 0.00 C ATOM 1497 CD2 LEU A 98 -11.511 -12.023 -9.954 1.00 0.00 C ATOM 0 H LEU A 98 -9.448 -11.769 -12.885 1.00 0.00 H new ATOM 0 HA LEU A 98 -12.144 -12.681 -12.332 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -10.995 -9.861 -12.596 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -12.528 -10.288 -11.863 1.00 0.00 H new ATOM 0 HG LEU A 98 -9.767 -11.167 -10.888 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -10.350 -9.791 -8.907 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -10.352 -8.807 -10.390 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -11.891 -9.340 -9.674 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -11.008 -12.200 -9.003 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -12.549 -11.746 -9.769 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -11.480 -12.932 -10.555 1.00 0.00 H new ATOM 1509 N ASN A 99 -11.425 -12.008 -15.275 1.00 0.00 N ATOM 1510 CA ASN A 99 -11.914 -11.796 -16.633 1.00 0.00 C ATOM 1511 C ASN A 99 -12.137 -10.310 -16.896 1.00 0.00 C ATOM 1512 O ASN A 99 -13.194 -9.906 -17.380 1.00 0.00 O ATOM 1513 CB ASN A 99 -13.224 -12.557 -16.842 1.00 0.00 C ATOM 1514 CG ASN A 99 -13.507 -12.708 -18.333 1.00 0.00 C ATOM 1515 OD1 ASN A 99 -12.745 -12.213 -19.163 1.00 0.00 O ATOM 1516 ND2 ASN A 99 -14.563 -13.367 -18.724 1.00 0.00 N ATOM 0 H ASN A 99 -10.497 -12.427 -15.217 1.00 0.00 H new ATOM 0 HA ASN A 99 -11.164 -12.168 -17.331 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -13.162 -13.539 -16.374 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -14.044 -12.025 -16.360 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -14.758 -13.473 -19.719 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -15.193 -13.776 -18.034 1.00 0.00 H new ATOM 1523 N VAL A 100 -11.131 -9.504 -16.573 1.00 0.00 N ATOM 1524 CA VAL A 100 -11.221 -8.063 -16.776 1.00 0.00 C ATOM 1525 C VAL A 100 -10.384 -7.643 -17.981 1.00 0.00 C ATOM 1526 O VAL A 100 -9.275 -8.137 -18.181 1.00 0.00 O ATOM 1527 CB VAL A 100 -10.729 -7.327 -15.528 1.00 0.00 C ATOM 1528 CG1 VAL A 100 -10.900 -5.820 -15.722 1.00 0.00 C ATOM 1529 CG2 VAL A 100 -11.546 -7.780 -14.315 1.00 0.00 C ATOM 0 H VAL A 100 -10.249 -9.822 -16.172 1.00 0.00 H new ATOM 0 HA VAL A 100 -12.263 -7.803 -16.961 1.00 0.00 H new ATOM 0 HB VAL A 100 -9.676 -7.554 -15.364 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -10.549 -5.297 -14.833 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -10.320 -5.496 -16.586 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -11.953 -5.591 -15.886 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -11.197 -7.257 -13.425 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -12.599 -7.552 -14.480 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -11.425 -8.854 -14.175 1.00 0.00 H new ATOM 1539 N SER A 101 -10.927 -6.735 -18.786 1.00 0.00 N ATOM 1540 CA SER A 101 -10.222 -6.264 -19.974 1.00 0.00 C ATOM 1541 C SER A 101 -8.853 -5.705 -19.602 1.00 0.00 C ATOM 1542 O SER A 101 -8.698 -5.034 -18.582 1.00 0.00 O ATOM 1543 CB SER A 101 -11.044 -5.184 -20.675 1.00 0.00 C ATOM 1544 OG SER A 101 -10.389 -4.802 -21.877 1.00 0.00 O ATOM 0 H SER A 101 -11.844 -6.314 -18.640 1.00 0.00 H new ATOM 0 HA SER A 101 -10.083 -7.109 -20.648 1.00 0.00 H new ATOM 0 HB2 SER A 101 -12.044 -5.557 -20.895 1.00 0.00 H new ATOM 0 HB3 SER A 101 -11.163 -4.320 -20.022 1.00 0.00 H new ATOM 0 HG SER A 101 -10.915 -4.110 -22.330 1.00 0.00 H new ATOM 1550 N GLN A 102 -7.861 -5.994 -20.439 1.00 0.00 N ATOM 1551 CA GLN A 102 -6.501 -5.526 -20.199 1.00 0.00 C ATOM 1552 C GLN A 102 -6.449 -4.002 -20.124 1.00 0.00 C ATOM 1553 O GLN A 102 -5.675 -3.439 -19.351 1.00 0.00 O ATOM 1554 CB GLN A 102 -5.580 -6.012 -21.319 1.00 0.00 C ATOM 1555 CG GLN A 102 -4.127 -5.698 -20.959 1.00 0.00 C ATOM 1556 CD GLN A 102 -3.665 -6.599 -19.818 1.00 0.00 C ATOM 1557 OE1 GLN A 102 -3.921 -7.803 -19.834 1.00 0.00 O ATOM 1558 NE2 GLN A 102 -2.998 -6.083 -18.822 1.00 0.00 N ATOM 0 H GLN A 102 -7.974 -6.549 -21.287 1.00 0.00 H new ATOM 0 HA GLN A 102 -6.167 -5.931 -19.244 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -5.705 -7.085 -21.467 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -5.846 -5.527 -22.258 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -3.488 -5.844 -21.830 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -4.034 -4.652 -20.668 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -2.787 -5.085 -18.812 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -2.687 -6.678 -18.054 1.00 0.00 H new ATOM 1567 N ASP A 103 -7.267 -3.339 -20.935 1.00 0.00 N ATOM 1568 CA ASP A 103 -7.287 -1.880 -20.950 1.00 0.00 C ATOM 1569 C ASP A 103 -7.534 -1.330 -19.548 1.00 0.00 C ATOM 1570 O ASP A 103 -6.888 -0.370 -19.126 1.00 0.00 O ATOM 1571 CB ASP A 103 -8.383 -1.382 -21.895 1.00 0.00 C ATOM 1572 CG ASP A 103 -8.019 -1.715 -23.338 1.00 0.00 C ATOM 1573 OD1 ASP A 103 -6.887 -2.107 -23.567 1.00 0.00 O ATOM 1574 OD2 ASP A 103 -8.879 -1.575 -24.191 1.00 0.00 O ATOM 0 H ASP A 103 -7.918 -3.782 -21.584 1.00 0.00 H new ATOM 0 HA ASP A 103 -6.317 -1.527 -21.300 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -9.336 -1.844 -21.636 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -8.510 -0.305 -21.783 1.00 0.00 H new ATOM 1579 N LEU A 104 -8.466 -1.946 -18.829 1.00 0.00 N ATOM 1580 CA LEU A 104 -8.775 -1.507 -17.474 1.00 0.00 C ATOM 1581 C LEU A 104 -7.586 -1.758 -16.552 1.00 0.00 C ATOM 1582 O LEU A 104 -7.305 -0.965 -15.654 1.00 0.00 O ATOM 1583 CB LEU A 104 -10.002 -2.254 -16.945 1.00 0.00 C ATOM 1584 CG LEU A 104 -11.198 -1.999 -17.867 1.00 0.00 C ATOM 1585 CD1 LEU A 104 -12.430 -2.718 -17.315 1.00 0.00 C ATOM 1586 CD2 LEU A 104 -11.479 -0.496 -17.939 1.00 0.00 C ATOM 0 H LEU A 104 -9.014 -2.741 -19.157 1.00 0.00 H new ATOM 0 HA LEU A 104 -8.988 -0.438 -17.497 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -9.794 -3.323 -16.890 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -10.233 -1.922 -15.933 1.00 0.00 H new ATOM 0 HG LEU A 104 -10.971 -2.375 -18.865 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -13.281 -2.537 -17.971 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -12.233 -3.789 -17.263 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -12.654 -2.341 -16.317 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -12.330 -0.316 -18.595 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -11.704 -0.120 -16.941 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -10.603 0.020 -18.332 1.00 0.00 H new ATOM 1598 N ILE A 105 -6.892 -2.868 -16.785 1.00 0.00 N ATOM 1599 CA ILE A 105 -5.732 -3.219 -15.975 1.00 0.00 C ATOM 1600 C ILE A 105 -4.655 -2.145 -16.086 1.00 0.00 C ATOM 1601 O ILE A 105 -4.012 -1.792 -15.096 1.00 0.00 O ATOM 1602 CB ILE A 105 -5.163 -4.562 -16.437 1.00 0.00 C ATOM 1603 CG1 ILE A 105 -6.240 -5.642 -16.307 1.00 0.00 C ATOM 1604 CG2 ILE A 105 -3.961 -4.935 -15.567 1.00 0.00 C ATOM 1605 CD1 ILE A 105 -5.725 -6.956 -16.901 1.00 0.00 C ATOM 0 H ILE A 105 -7.112 -3.536 -17.524 1.00 0.00 H new ATOM 0 HA ILE A 105 -6.048 -3.294 -14.934 1.00 0.00 H new ATOM 0 HB ILE A 105 -4.847 -4.484 -17.477 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -6.503 -5.783 -15.259 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -7.147 -5.329 -16.823 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -3.556 -5.892 -15.897 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -3.194 -4.166 -15.657 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -4.275 -5.013 -14.526 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -6.493 -7.723 -16.807 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -5.485 -6.810 -17.954 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -4.830 -7.271 -16.365 1.00 0.00 H new ATOM 1617 N ASP A 106 -4.462 -1.632 -17.296 1.00 0.00 N ATOM 1618 CA ASP A 106 -3.457 -0.602 -17.526 1.00 0.00 C ATOM 1619 C ASP A 106 -3.725 0.617 -16.650 1.00 0.00 C ATOM 1620 O ASP A 106 -2.796 1.229 -16.121 1.00 0.00 O ATOM 1621 CB ASP A 106 -3.463 -0.185 -18.997 1.00 0.00 C ATOM 1622 CG ASP A 106 -2.978 -1.340 -19.867 1.00 0.00 C ATOM 1623 OD1 ASP A 106 -2.454 -2.292 -19.314 1.00 0.00 O ATOM 1624 OD2 ASP A 106 -3.136 -1.254 -21.074 1.00 0.00 O ATOM 0 H ASP A 106 -4.984 -1.910 -18.127 1.00 0.00 H new ATOM 0 HA ASP A 106 -2.481 -1.012 -17.268 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -4.469 0.109 -19.296 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -2.821 0.684 -19.140 1.00 0.00 H new ATOM 1629 N GLU A 107 -4.999 0.967 -16.500 1.00 0.00 N ATOM 1630 CA GLU A 107 -5.369 2.117 -15.684 1.00 0.00 C ATOM 1631 C GLU A 107 -4.911 1.916 -14.243 1.00 0.00 C ATOM 1632 O GLU A 107 -4.448 2.852 -13.591 1.00 0.00 O ATOM 1633 CB GLU A 107 -6.886 2.314 -15.720 1.00 0.00 C ATOM 1634 CG GLU A 107 -7.254 3.609 -14.993 1.00 0.00 C ATOM 1635 CD GLU A 107 -6.766 4.812 -15.792 1.00 0.00 C ATOM 1636 OE1 GLU A 107 -6.605 4.674 -16.993 1.00 0.00 O ATOM 1637 OE2 GLU A 107 -6.560 5.854 -15.191 1.00 0.00 O ATOM 0 H GLU A 107 -5.784 0.477 -16.928 1.00 0.00 H new ATOM 0 HA GLU A 107 -4.880 3.003 -16.088 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -7.233 2.354 -16.753 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -7.384 1.467 -15.249 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -8.334 3.666 -14.858 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -6.808 3.617 -13.999 1.00 0.00 H new ATOM 1644 N VAL A 108 -5.041 0.687 -13.753 1.00 0.00 N ATOM 1645 CA VAL A 108 -4.633 0.371 -12.389 1.00 0.00 C ATOM 1646 C VAL A 108 -3.120 0.493 -12.239 1.00 0.00 C ATOM 1647 O VAL A 108 -2.624 0.974 -11.220 1.00 0.00 O ATOM 1648 CB VAL A 108 -5.070 -1.050 -12.028 1.00 0.00 C ATOM 1649 CG1 VAL A 108 -4.491 -1.432 -10.666 1.00 0.00 C ATOM 1650 CG2 VAL A 108 -6.598 -1.112 -11.966 1.00 0.00 C ATOM 0 H VAL A 108 -5.423 -0.101 -14.276 1.00 0.00 H new ATOM 0 HA VAL A 108 -5.112 1.081 -11.714 1.00 0.00 H new ATOM 0 HB VAL A 108 -4.707 -1.745 -12.785 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -4.803 -2.444 -10.409 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -3.403 -1.387 -10.708 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -4.854 -0.737 -9.908 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -6.911 -2.124 -11.709 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -6.960 -0.417 -11.209 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -7.013 -0.839 -12.936 1.00 0.00 H new ATOM 1660 N VAL A 109 -2.395 0.051 -13.260 1.00 0.00 N ATOM 1661 CA VAL A 109 -0.938 0.110 -13.234 1.00 0.00 C ATOM 1662 C VAL A 109 -0.458 1.552 -13.102 1.00 0.00 C ATOM 1663 O VAL A 109 0.493 1.835 -12.373 1.00 0.00 O ATOM 1664 CB VAL A 109 -0.370 -0.501 -14.516 1.00 0.00 C ATOM 1665 CG1 VAL A 109 1.142 -0.267 -14.569 1.00 0.00 C ATOM 1666 CG2 VAL A 109 -0.650 -2.006 -14.530 1.00 0.00 C ATOM 0 H VAL A 109 -2.789 -0.350 -14.111 1.00 0.00 H new ATOM 0 HA VAL A 109 -0.587 -0.456 -12.371 1.00 0.00 H new ATOM 0 HB VAL A 109 -0.841 -0.033 -15.380 1.00 0.00 H new ATOM 0 HG11 VAL A 109 1.546 -0.703 -15.483 1.00 0.00 H new ATOM 0 HG12 VAL A 109 1.345 0.804 -14.557 1.00 0.00 H new ATOM 0 HG13 VAL A 109 1.613 -0.735 -13.705 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -0.246 -2.443 -15.443 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -0.178 -2.472 -13.665 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -1.726 -2.176 -14.492 1.00 0.00 H new ATOM 1676 N THR A 110 -1.118 2.458 -13.814 1.00 0.00 N ATOM 1677 CA THR A 110 -0.747 3.868 -13.772 1.00 0.00 C ATOM 1678 C THR A 110 -0.856 4.419 -12.353 1.00 0.00 C ATOM 1679 O THR A 110 -0.019 5.212 -11.920 1.00 0.00 O ATOM 1680 CB THR A 110 -1.655 4.674 -14.704 1.00 0.00 C ATOM 1681 OG1 THR A 110 -1.608 4.115 -16.008 1.00 0.00 O ATOM 1682 CG2 THR A 110 -1.180 6.126 -14.751 1.00 0.00 C ATOM 0 H THR A 110 -1.907 2.244 -14.423 1.00 0.00 H new ATOM 0 HA THR A 110 0.288 3.957 -14.101 1.00 0.00 H new ATOM 0 HB THR A 110 -2.679 4.642 -14.332 1.00 0.00 H new ATOM 0 HG1 THR A 110 -2.128 3.285 -16.027 1.00 0.00 H new ATOM 0 HG21 THR A 110 -1.827 6.699 -15.415 1.00 0.00 H new ATOM 0 HG22 THR A 110 -1.218 6.554 -13.749 1.00 0.00 H new ATOM 0 HG23 THR A 110 -0.156 6.162 -15.123 1.00 0.00 H new ATOM 1690 N ILE A 111 -1.895 4.002 -11.635 1.00 0.00 N ATOM 1691 CA ILE A 111 -2.102 4.472 -10.269 1.00 0.00 C ATOM 1692 C ILE A 111 -0.889 4.161 -9.396 1.00 0.00 C ATOM 1693 O ILE A 111 -0.368 5.038 -8.707 1.00 0.00 O ATOM 1694 CB ILE A 111 -3.344 3.808 -9.672 1.00 0.00 C ATOM 1695 CG1 ILE A 111 -4.568 4.171 -10.516 1.00 0.00 C ATOM 1696 CG2 ILE A 111 -3.546 4.302 -8.239 1.00 0.00 C ATOM 1697 CD1 ILE A 111 -5.781 3.377 -10.026 1.00 0.00 C ATOM 0 H ILE A 111 -2.600 3.346 -11.972 1.00 0.00 H new ATOM 0 HA ILE A 111 -2.242 5.553 -10.298 1.00 0.00 H new ATOM 0 HB ILE A 111 -3.213 2.726 -9.667 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -4.767 5.240 -10.445 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -4.377 3.951 -11.566 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -4.431 3.829 -7.813 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -2.673 4.045 -7.639 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -3.678 5.384 -8.242 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -6.652 3.636 -10.627 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -5.579 2.310 -10.120 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -5.976 3.619 -8.981 1.00 0.00 H new ATOM 1709 N VAL A 112 -0.442 2.909 -9.430 1.00 0.00 N ATOM 1710 CA VAL A 112 0.713 2.501 -8.638 1.00 0.00 C ATOM 1711 C VAL A 112 2.005 2.976 -9.292 1.00 0.00 C ATOM 1712 O VAL A 112 3.007 3.209 -8.616 1.00 0.00 O ATOM 1713 CB VAL A 112 0.740 0.979 -8.494 1.00 0.00 C ATOM 1714 CG1 VAL A 112 -0.550 0.504 -7.823 1.00 0.00 C ATOM 1715 CG2 VAL A 112 0.852 0.339 -9.879 1.00 0.00 C ATOM 0 H VAL A 112 -0.857 2.166 -9.992 1.00 0.00 H new ATOM 0 HA VAL A 112 0.630 2.955 -7.651 1.00 0.00 H new ATOM 0 HB VAL A 112 1.596 0.689 -7.885 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -0.529 -0.581 -7.721 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -0.636 0.959 -6.836 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -1.406 0.795 -8.433 1.00 0.00 H new ATOM 0 HG21 VAL A 112 0.871 -0.746 -9.778 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -0.005 0.632 -10.485 1.00 0.00 H new ATOM 0 HG23 VAL A 112 1.770 0.675 -10.362 1.00 0.00 H new ATOM 1725 N GLY A 113 1.974 3.114 -10.613 1.00 0.00 N ATOM 1726 CA GLY A 113 3.148 3.560 -11.354 1.00 0.00 C ATOM 1727 C GLY A 113 3.546 4.977 -10.955 1.00 0.00 C ATOM 1728 O GLY A 113 3.400 5.915 -11.739 1.00 0.00 O ATOM 0 H GLY A 113 1.154 2.925 -11.190 1.00 0.00 H new ATOM 0 HA2 GLY A 113 3.979 2.880 -11.168 1.00 0.00 H new ATOM 0 HA3 GLY A 113 2.941 3.525 -12.424 1.00 0.00 H new ATOM 1732 N SER A 114 4.051 5.128 -9.734 1.00 0.00 N ATOM 1733 CA SER A 114 4.469 6.440 -9.253 1.00 0.00 C ATOM 1734 C SER A 114 5.967 6.448 -8.959 1.00 0.00 C ATOM 1735 O SER A 114 6.508 5.487 -8.415 1.00 0.00 O ATOM 1736 CB SER A 114 3.696 6.800 -7.984 1.00 0.00 C ATOM 1737 OG SER A 114 2.302 6.783 -8.265 1.00 0.00 O ATOM 0 H SER A 114 4.180 4.367 -9.067 1.00 0.00 H new ATOM 0 HA SER A 114 4.258 7.177 -10.028 1.00 0.00 H new ATOM 0 HB2 SER A 114 3.928 6.091 -7.189 1.00 0.00 H new ATOM 0 HB3 SER A 114 3.996 7.786 -7.629 1.00 0.00 H new ATOM 0 HG SER A 114 1.802 7.012 -7.454 1.00 0.00 H new ATOM 1743 N VAL A 115 6.628 7.539 -9.329 1.00 0.00 N ATOM 1744 CA VAL A 115 8.064 7.666 -9.107 1.00 0.00 C ATOM 1745 C VAL A 115 8.382 7.806 -7.621 1.00 0.00 C ATOM 1746 O VAL A 115 9.346 7.220 -7.126 1.00 0.00 O ATOM 1747 CB VAL A 115 8.600 8.884 -9.859 1.00 0.00 C ATOM 1748 CG1 VAL A 115 10.073 9.095 -9.509 1.00 0.00 C ATOM 1749 CG2 VAL A 115 8.464 8.652 -11.366 1.00 0.00 C ATOM 0 H VAL A 115 6.196 8.344 -9.782 1.00 0.00 H new ATOM 0 HA VAL A 115 8.544 6.761 -9.479 1.00 0.00 H new ATOM 0 HB VAL A 115 8.029 9.767 -9.572 1.00 0.00 H new ATOM 0 HG11 VAL A 115 10.454 9.964 -10.046 1.00 0.00 H new ATOM 0 HG12 VAL A 115 10.172 9.259 -8.436 1.00 0.00 H new ATOM 0 HG13 VAL A 115 10.645 8.212 -9.795 1.00 0.00 H new ATOM 0 HG21 VAL A 115 8.846 9.520 -11.904 1.00 0.00 H new ATOM 0 HG22 VAL A 115 9.035 7.768 -11.651 1.00 0.00 H new ATOM 0 HG23 VAL A 115 7.414 8.502 -11.618 1.00 0.00 H new ATOM 1759 N GLN A 116 7.575 8.593 -6.916 1.00 0.00 N ATOM 1760 CA GLN A 116 7.793 8.810 -5.490 1.00 0.00 C ATOM 1761 C GLN A 116 7.754 7.494 -4.718 1.00 0.00 C ATOM 1762 O GLN A 116 8.600 7.246 -3.859 1.00 0.00 O ATOM 1763 CB GLN A 116 6.724 9.755 -4.938 1.00 0.00 C ATOM 1764 CG GLN A 116 7.048 10.100 -3.483 1.00 0.00 C ATOM 1765 CD GLN A 116 6.007 11.068 -2.932 1.00 0.00 C ATOM 1766 OE1 GLN A 116 5.158 11.559 -3.677 1.00 0.00 O ATOM 1767 NE2 GLN A 116 6.021 11.376 -1.663 1.00 0.00 N ATOM 0 H GLN A 116 6.771 9.087 -7.304 1.00 0.00 H new ATOM 0 HA GLN A 116 8.780 9.254 -5.365 1.00 0.00 H new ATOM 0 HB2 GLN A 116 6.683 10.664 -5.538 1.00 0.00 H new ATOM 0 HB3 GLN A 116 5.742 9.287 -5.002 1.00 0.00 H new ATOM 0 HG2 GLN A 116 7.067 9.192 -2.881 1.00 0.00 H new ATOM 0 HG3 GLN A 116 8.041 10.545 -3.419 1.00 0.00 H new ATOM 0 HE21 GLN A 116 6.725 10.969 -1.047 1.00 0.00 H new ATOM 0 HE22 GLN A 116 5.328 12.024 -1.288 1.00 0.00 H new ATOM 1776 N HIS A 117 6.772 6.652 -5.025 1.00 0.00 N ATOM 1777 CA HIS A 117 6.649 5.369 -4.342 1.00 0.00 C ATOM 1778 C HIS A 117 7.839 4.475 -4.668 1.00 0.00 C ATOM 1779 O HIS A 117 8.430 3.862 -3.779 1.00 0.00 O ATOM 1780 CB HIS A 117 5.349 4.674 -4.754 1.00 0.00 C ATOM 1781 CG HIS A 117 5.030 3.580 -3.770 1.00 0.00 C ATOM 1782 ND1 HIS A 117 5.336 3.691 -2.424 1.00 0.00 N ATOM 1783 CD2 HIS A 117 4.406 2.365 -3.915 1.00 0.00 C ATOM 1784 CE1 HIS A 117 4.901 2.573 -1.813 1.00 0.00 C ATOM 1785 NE2 HIS A 117 4.321 1.728 -2.678 1.00 0.00 N ATOM 0 H HIS A 117 6.059 6.831 -5.732 1.00 0.00 H new ATOM 0 HA HIS A 117 6.631 5.551 -3.267 1.00 0.00 H new ATOM 0 HB2 HIS A 117 4.533 5.396 -4.788 1.00 0.00 H new ATOM 0 HB3 HIS A 117 5.449 4.258 -5.757 1.00 0.00 H new ATOM 0 HD1 HIS A 117 5.806 4.478 -1.976 1.00 0.00 H new ATOM 0 HD2 HIS A 117 4.037 1.964 -4.847 1.00 0.00 H new ATOM 0 HE1 HIS A 117 5.006 2.380 -0.756 1.00 0.00 H new ATOM 1793 N ARG A 118 8.186 4.407 -5.949 1.00 0.00 N ATOM 1794 CA ARG A 118 9.310 3.586 -6.385 1.00 0.00 C ATOM 1795 C ARG A 118 10.599 4.029 -5.698 1.00 0.00 C ATOM 1796 O ARG A 118 11.403 3.201 -5.273 1.00 0.00 O ATOM 1797 CB ARG A 118 9.475 3.691 -7.902 1.00 0.00 C ATOM 1798 CG ARG A 118 10.570 2.731 -8.369 1.00 0.00 C ATOM 1799 CD ARG A 118 10.764 2.876 -9.879 1.00 0.00 C ATOM 1800 NE ARG A 118 11.717 1.883 -10.366 1.00 0.00 N ATOM 1801 CZ ARG A 118 13.026 2.107 -10.319 1.00 0.00 C ATOM 1802 NH1 ARG A 118 13.480 3.224 -9.819 1.00 0.00 N ATOM 1803 NH2 ARG A 118 13.857 1.209 -10.770 1.00 0.00 N ATOM 0 H ARG A 118 7.709 4.907 -6.699 1.00 0.00 H new ATOM 0 HA ARG A 118 9.106 2.551 -6.112 1.00 0.00 H new ATOM 0 HB2 ARG A 118 8.534 3.453 -8.397 1.00 0.00 H new ATOM 0 HB3 ARG A 118 9.732 4.713 -8.180 1.00 0.00 H new ATOM 0 HG2 ARG A 118 11.504 2.946 -7.849 1.00 0.00 H new ATOM 0 HG3 ARG A 118 10.298 1.705 -8.123 1.00 0.00 H new ATOM 0 HD2 ARG A 118 9.808 2.753 -10.389 1.00 0.00 H new ATOM 0 HD3 ARG A 118 11.123 3.879 -10.112 1.00 0.00 H new ATOM 0 HE ARG A 118 11.372 1.003 -10.749 1.00 0.00 H new ATOM 0 HH11 ARG A 118 12.830 3.925 -9.464 1.00 0.00 H new ATOM 0 HH12 ARG A 118 14.485 3.395 -9.783 1.00 0.00 H new ATOM 0 HH21 ARG A 118 13.502 0.335 -11.159 1.00 0.00 H new ATOM 0 HH22 ARG A 118 14.862 1.380 -10.734 1.00 0.00 H new ATOM 1817 N ASN A 119 10.787 5.341 -5.594 1.00 0.00 N ATOM 1818 CA ASN A 119 11.983 5.884 -4.957 1.00 0.00 C ATOM 1819 C ASN A 119 12.071 5.427 -3.505 1.00 0.00 C ATOM 1820 O ASN A 119 13.156 5.129 -3.003 1.00 0.00 O ATOM 1821 CB ASN A 119 11.955 7.412 -5.012 1.00 0.00 C ATOM 1822 CG ASN A 119 12.012 7.884 -6.460 1.00 0.00 C ATOM 1823 OD1 ASN A 119 12.390 7.119 -7.347 1.00 0.00 O ATOM 1824 ND2 ASN A 119 11.654 9.103 -6.754 1.00 0.00 N ATOM 0 H ASN A 119 10.133 6.043 -5.939 1.00 0.00 H new ATOM 0 HA ASN A 119 12.857 5.517 -5.495 1.00 0.00 H new ATOM 0 HB2 ASN A 119 11.048 7.784 -4.535 1.00 0.00 H new ATOM 0 HB3 ASN A 119 12.799 7.819 -4.455 1.00 0.00 H new ATOM 0 HD21 ASN A 119 11.687 9.425 -7.721 1.00 0.00 H new ATOM 0 HD22 ASN A 119 11.341 9.735 -6.017 1.00 0.00 H new ATOM 1831 N ASP A 120 10.924 5.373 -2.838 1.00 0.00 N ATOM 1832 CA ASP A 120 10.881 4.950 -1.443 1.00 0.00 C ATOM 1833 C ASP A 120 11.399 3.523 -1.299 1.00 0.00 C ATOM 1834 O ASP A 120 12.061 3.188 -0.317 1.00 0.00 O ATOM 1835 CB ASP A 120 9.447 5.030 -0.916 1.00 0.00 C ATOM 1836 CG ASP A 120 8.992 6.484 -0.862 1.00 0.00 C ATOM 1837 OD1 ASP A 120 9.835 7.355 -1.003 1.00 0.00 O ATOM 1838 OD2 ASP A 120 7.806 6.707 -0.683 1.00 0.00 O ATOM 0 H ASP A 120 10.017 5.615 -3.237 1.00 0.00 H new ATOM 0 HA ASP A 120 11.519 5.616 -0.862 1.00 0.00 H new ATOM 0 HB2 ASP A 120 8.781 4.456 -1.560 1.00 0.00 H new ATOM 0 HB3 ASP A 120 9.391 4.585 0.078 1.00 0.00 H new ATOM 1843 N VAL A 121 11.088 2.686 -2.283 1.00 0.00 N ATOM 1844 CA VAL A 121 11.520 1.294 -2.256 1.00 0.00 C ATOM 1845 C VAL A 121 13.043 1.201 -2.226 1.00 0.00 C ATOM 1846 O VAL A 121 13.610 0.400 -1.483 1.00 0.00 O ATOM 1847 CB VAL A 121 10.985 0.563 -3.488 1.00 0.00 C ATOM 1848 CG1 VAL A 121 11.526 -0.867 -3.511 1.00 0.00 C ATOM 1849 CG2 VAL A 121 9.456 0.527 -3.433 1.00 0.00 C ATOM 0 H VAL A 121 10.542 2.945 -3.104 1.00 0.00 H new ATOM 0 HA VAL A 121 11.125 0.827 -1.353 1.00 0.00 H new ATOM 0 HB VAL A 121 11.307 1.087 -4.388 1.00 0.00 H new ATOM 0 HG11 VAL A 121 11.144 -1.387 -4.390 1.00 0.00 H new ATOM 0 HG12 VAL A 121 12.615 -0.843 -3.549 1.00 0.00 H new ATOM 0 HG13 VAL A 121 11.205 -1.392 -2.611 1.00 0.00 H new ATOM 0 HG21 VAL A 121 9.073 0.006 -4.310 1.00 0.00 H new ATOM 0 HG22 VAL A 121 9.137 0.003 -2.532 1.00 0.00 H new ATOM 0 HG23 VAL A 121 9.068 1.546 -3.417 1.00 0.00 H new ATOM 1859 N LEU A 122 13.701 2.026 -3.036 1.00 0.00 N ATOM 1860 CA LEU A 122 15.159 2.025 -3.089 1.00 0.00 C ATOM 1861 C LEU A 122 15.736 3.017 -2.085 1.00 0.00 C ATOM 1862 O LEU A 122 16.954 3.161 -1.971 1.00 0.00 O ATOM 1863 CB LEU A 122 15.632 2.388 -4.499 1.00 0.00 C ATOM 1864 CG LEU A 122 15.042 1.401 -5.509 1.00 0.00 C ATOM 1865 CD1 LEU A 122 15.541 1.747 -6.912 1.00 0.00 C ATOM 1866 CD2 LEU A 122 15.485 -0.020 -5.151 1.00 0.00 C ATOM 0 H LEU A 122 13.253 2.698 -3.659 1.00 0.00 H new ATOM 0 HA LEU A 122 15.510 1.025 -2.834 1.00 0.00 H new ATOM 0 HB2 LEU A 122 15.325 3.404 -4.746 1.00 0.00 H new ATOM 0 HB3 LEU A 122 16.721 2.364 -4.546 1.00 0.00 H new ATOM 0 HG LEU A 122 13.954 1.463 -5.483 1.00 0.00 H new ATOM 0 HD11 LEU A 122 15.121 1.044 -7.631 1.00 0.00 H new ATOM 0 HD12 LEU A 122 15.230 2.759 -7.170 1.00 0.00 H new ATOM 0 HD13 LEU A 122 16.629 1.685 -6.937 1.00 0.00 H new ATOM 0 HD21 LEU A 122 15.065 -0.724 -5.870 1.00 0.00 H new ATOM 0 HD22 LEU A 122 16.573 -0.080 -5.178 1.00 0.00 H new ATOM 0 HD23 LEU A 122 15.132 -0.270 -4.150 1.00 0.00 H new ATOM 1878 N ASN A 123 14.855 3.698 -1.361 1.00 0.00 N ATOM 1879 CA ASN A 123 15.286 4.674 -0.368 1.00 0.00 C ATOM 1880 C ASN A 123 16.136 5.764 -1.017 1.00 0.00 C ATOM 1881 O ASN A 123 17.164 6.170 -0.475 1.00 0.00 O ATOM 1882 CB ASN A 123 16.090 3.980 0.735 1.00 0.00 C ATOM 1883 CG ASN A 123 15.212 2.962 1.454 1.00 0.00 C ATOM 1884 OD1 ASN A 123 13.986 3.019 1.356 1.00 0.00 O ATOM 1885 ND2 ASN A 123 15.768 2.028 2.176 1.00 0.00 N ATOM 0 H ASN A 123 13.844 3.593 -1.442 1.00 0.00 H new ATOM 0 HA ASN A 123 14.400 5.135 0.067 1.00 0.00 H new ATOM 0 HB2 ASN A 123 16.960 3.484 0.305 1.00 0.00 H new ATOM 0 HB3 ASN A 123 16.462 4.718 1.445 1.00 0.00 H new ATOM 0 HD21 ASN A 123 15.187 1.344 2.660 1.00 0.00 H new ATOM 0 HD22 ASN A 123 16.784 1.982 2.256 1.00 0.00 H new ATOM 1892 N ARG A 124 15.695 6.235 -2.179 1.00 0.00 N ATOM 1893 CA ARG A 124 16.416 7.282 -2.896 1.00 0.00 C ATOM 1894 C ARG A 124 15.509 8.483 -3.141 1.00 0.00 C ATOM 1895 O ARG A 124 15.246 8.776 -4.295 1.00 0.00 O ATOM 1896 CB ARG A 124 16.928 6.747 -4.236 1.00 0.00 C ATOM 1897 CG ARG A 124 18.096 5.780 -4.004 1.00 0.00 C ATOM 1898 CD ARG A 124 19.314 6.548 -3.481 1.00 0.00 C ATOM 1899 NE ARG A 124 20.545 5.886 -3.903 1.00 0.00 N ATOM 1900 CZ ARG A 124 21.667 6.576 -4.086 1.00 0.00 C ATOM 1901 NH1 ARG A 124 21.684 7.865 -3.879 1.00 0.00 N ATOM 1902 NH2 ARG A 124 22.753 5.964 -4.474 1.00 0.00 N ATOM 1903 OXT ARG A 124 15.091 9.093 -2.170 1.00 0.00 O ATOM 0 H ARG A 124 14.846 5.911 -2.643 1.00 0.00 H new ATOM 0 HA ARG A 124 17.262 7.595 -2.285 1.00 0.00 H new ATOM 0 HB2 ARG A 124 16.123 6.237 -4.765 1.00 0.00 H new ATOM 0 HB3 ARG A 124 17.250 7.575 -4.868 1.00 0.00 H new ATOM 0 HG2 ARG A 124 17.806 5.011 -3.288 1.00 0.00 H new ATOM 0 HG3 ARG A 124 18.348 5.271 -4.934 1.00 0.00 H new ATOM 0 HD2 ARG A 124 19.296 7.572 -3.855 1.00 0.00 H new ATOM 0 HD3 ARG A 124 19.278 6.605 -2.393 1.00 0.00 H new ATOM 0 HE ARG A 124 20.544 4.878 -4.060 1.00 0.00 H new ATOM 0 HH11 ARG A 124 20.836 8.344 -3.576 1.00 0.00 H new ATOM 0 HH12 ARG A 124 22.545 8.393 -4.020 1.00 0.00 H new ATOM 0 HH21 ARG A 124 22.741 4.957 -4.637 1.00 0.00 H new ATOM 0 HH22 ARG A 124 23.614 6.493 -4.615 1.00 0.00 H new TER 1917 ARG A 124 HETATM 1918 FE HEB A 125 4.873 -2.084 2.543 1.00 0.00 FE HETATM 1919 CHA HEB A 125 4.534 -2.255 5.909 1.00 0.00 C HETATM 1920 CHB HEB A 125 2.932 0.685 2.486 1.00 0.00 C HETATM 1921 CHC HEB A 125 5.187 -1.942 -0.829 1.00 0.00 C HETATM 1922 CHD HEB A 125 6.777 -4.882 2.595 1.00 0.00 C HETATM 1923 NA HEB A 125 3.943 -1.016 3.898 1.00 0.00 N HETATM 1924 C1A HEB A 125 3.903 -1.221 5.262 1.00 0.00 C HETATM 1925 C2A HEB A 125 3.110 -0.214 5.925 1.00 0.00 C HETATM 1926 C3A HEB A 125 2.664 0.622 4.958 1.00 0.00 C HETATM 1927 C4A HEB A 125 3.179 0.116 3.709 1.00 0.00 C HETATM 1928 CMA HEB A 125 1.823 1.842 5.148 1.00 0.00 C HETATM 1929 CAA HEB A 125 2.829 -0.120 7.389 1.00 0.00 C HETATM 1930 CBA HEB A 125 3.955 0.579 8.153 1.00 0.00 C HETATM 1931 CGA HEB A 125 3.607 0.664 9.635 1.00 0.00 C HETATM 1932 O1A HEB A 125 3.016 1.656 10.029 1.00 0.00 O HETATM 1933 O2A HEB A 125 3.935 -0.265 10.355 1.00 0.00 O HETATM 1934 NB HEB A 125 4.209 -0.887 1.139 1.00 0.00 N HETATM 1935 C1B HEB A 125 3.406 0.224 1.287 1.00 0.00 C HETATM 1936 C2B HEB A 125 3.122 0.849 0.025 1.00 0.00 C HETATM 1937 C3B HEB A 125 3.754 0.125 -0.926 1.00 0.00 C HETATM 1938 C4B HEB A 125 4.431 -0.958 -0.226 1.00 0.00 C HETATM 1939 CMB HEB A 125 2.287 2.065 -0.195 1.00 0.00 C HETATM 1940 CAB HEB A 125 3.713 0.401 -2.398 1.00 0.00 C HETATM 1941 CBB HEB A 125 2.284 0.404 -2.942 1.00 0.00 C HETATM 1942 NC HEB A 125 5.779 -3.168 1.190 1.00 0.00 N HETATM 1943 C1C HEB A 125 5.814 -2.970 -0.174 1.00 0.00 C HETATM 1944 C2C HEB A 125 6.591 -3.987 -0.835 1.00 0.00 C HETATM 1945 C3C HEB A 125 7.040 -4.818 0.131 1.00 0.00 C HETATM 1946 C4C HEB A 125 6.534 -4.306 1.377 1.00 0.00 C HETATM 1947 CMC HEB A 125 6.849 -4.101 -2.298 1.00 0.00 C HETATM 1948 CAC HEB A 125 7.826 -5.939 -0.043 1.00 0.00 C HETATM 1949 CBC HEB A 125 7.360 -7.031 -0.745 1.00 0.00 C HETATM 1950 ND HEB A 125 5.518 -3.297 3.943 1.00 0.00 N HETATM 1951 C1D HEB A 125 6.309 -4.418 3.798 1.00 0.00 C HETATM 1952 C2D HEB A 125 6.575 -5.046 5.069 1.00 0.00 C HETATM 1953 C3D HEB A 125 5.934 -4.307 6.006 1.00 0.00 C HETATM 1954 C4D HEB A 125 5.287 -3.227 5.301 1.00 0.00 C HETATM 1955 CMD HEB A 125 7.409 -6.263 5.308 1.00 0.00 C HETATM 1956 CAD HEB A 125 5.889 -4.567 7.476 1.00 0.00 C HETATM 1957 CBD HEB A 125 6.916 -3.736 8.248 1.00 0.00 C HETATM 1958 CGD HEB A 125 6.274 -3.147 9.499 1.00 0.00 C HETATM 1959 O1D HEB A 125 5.551 -2.173 9.368 1.00 0.00 O HETATM 1960 O2D HEB A 125 6.513 -3.678 10.571 1.00 0.00 O HETATM 0 HMD3 HEB A 125 6.988 -7.106 4.759 1.00 0.00 H new HETATM 0 HMD2 HEB A 125 8.427 -6.079 4.966 1.00 0.00 H new HETATM 0 HMD1 HEB A 125 7.420 -6.493 6.373 1.00 0.00 H new HETATM 0 HMC3 HEB A 125 5.902 -4.205 -2.827 1.00 0.00 H new HETATM 0 HMC2 HEB A 125 7.363 -3.206 -2.648 1.00 0.00 H new HETATM 0 HMC1 HEB A 125 7.471 -4.975 -2.491 1.00 0.00 H new HETATM 0 HMB3 HEB A 125 1.275 1.881 0.166 1.00 0.00 H new HETATM 0 HMB2 HEB A 125 2.719 2.906 0.348 1.00 0.00 H new HETATM 0 HMB1 HEB A 125 2.256 2.298 -1.259 1.00 0.00 H new HETATM 0 HMA3 HEB A 125 0.878 1.563 5.614 1.00 0.00 H new HETATM 0 HMA2 HEB A 125 2.349 2.550 5.789 1.00 0.00 H new HETATM 0 HMA1 HEB A 125 1.628 2.304 4.180 1.00 0.00 H new HETATM 0 HBD2 HEB A 125 7.767 -4.359 8.524 1.00 0.00 H new HETATM 0 HBD1 HEB A 125 7.299 -2.936 7.615 1.00 0.00 H new HETATM 0 HBC2 HEB A 125 7.995 -7.908 -0.873 1.00 0.00 H new HETATM 0 HBC1 HEB A 125 6.357 -7.017 -1.172 1.00 0.00 H new HETATM 0 HBB3 HEB A 125 1.826 -0.569 -2.766 1.00 0.00 H new HETATM 0 HBB2 HEB A 125 1.704 1.175 -2.436 1.00 0.00 H new HETATM 0 HBB1 HEB A 125 2.303 0.608 -4.013 1.00 0.00 H new HETATM 0 HBA2 HEB A 125 4.889 0.032 8.021 1.00 0.00 H new HETATM 0 HBA1 HEB A 125 4.112 1.580 7.750 1.00 0.00 H new HETATM 0 HAD2 HEB A 125 4.890 -4.344 7.851 1.00 0.00 H new HETATM 0 HAD1 HEB A 125 6.070 -5.626 7.660 1.00 0.00 H new HETATM 0 HAA2 HEB A 125 1.897 0.423 7.544 1.00 0.00 H new HETATM 0 HAA1 HEB A 125 2.685 -1.122 7.794 1.00 0.00 H new HETATM 0 HHD HEB A 125 7.392 -5.782 2.610 1.00 0.00 H new HETATM 0 HHC HEB A 125 5.294 -1.898 -1.913 1.00 0.00 H new HETATM 0 HHB HEB A 125 2.307 1.578 2.467 1.00 0.00 H new HETATM 0 HHA HEB A 125 4.428 -2.308 6.993 1.00 0.00 H new HETATM 0 HAC HEB A 125 8.830 -5.962 0.381 1.00 0.00 H new HETATM 0 HAB HEB A 125 4.299 -0.352 -2.924 1.00 0.00 H new