USER MOD reduce.3.24.130724 H: found=0, std=0, add=936, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 937 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 53 SER OG : rot 45:sc= 0.973 USER MOD Set 1.2: A 102 GLN : amide:sc= 1.2 K(o=2.2,f=1.5) USER MOD Set 2.1: A 40 LYS NZ :NH3+ -130:sc= 0.923 (180deg=-0.00824) USER MOD Set 2.2: A 49 SER OG : rot -75:sc= 1.84 USER MOD Set 2.3: A 80 THR OG1 : rot 180:sc= 1.04 USER MOD Set 3.1: A 21 HIS : no HE2:sc= 1.23 K(o=2.2,f=-7!) USER MOD Set 3.2: A 28 GLN : amide:sc= 1.01 K(o=2.2,f=0.13) USER MOD Single : A 1 MET CE :methyl 166:sc= -0.264 (180deg=-0.739) USER MOD Single : A 1 MET N :NH3+ 139:sc= 0.0152 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 79:sc= 1.17 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -0.0317 K(o=-0.032,f=-1.1) USER MOD Single : A 9 TYR OH : rot -128:sc= 1.3 USER MOD Single : A 10 CYS SG : rot 49:sc= -0.657 USER MOD Single : A 11 MET CE :methyl -136:sc= -0.765 (180deg=-2.61!) USER MOD Single : A 13 LYS NZ :NH3+ 167:sc= 0.775 (180deg=0.481) USER MOD Single : A 18 GLN : amide:sc= -0.0308 X(o=-0.031,f=-0.39) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.0609 K(o=-0.061,f=-1.4!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -150:sc= 1.23 (180deg=1.12) USER MOD Single : A 38 MET CE :methyl -128:sc= -0.178 (180deg=-1.86) USER MOD Single : A 44 ASN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 51 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00473) USER MOD Single : A 52 THR OG1 : rot -86:sc= 1.29 USER MOD Single : A 62 GLN : amide:sc= 0.0164 K(o=0.016,f=-0.69) USER MOD Single : A 63 GLN : amide:sc= -0.134 K(o=-0.13,f=-0.68) USER MOD Single : A 64 HIS : no HD1:sc= -0.156 X(o=-0.16,f=-0.21) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 72 HIS : no HD1:sc= 0.698 K(o=0.7,f=-5.7!) USER MOD Single : A 74 ASN : amide:sc= -4.28! C(o=-4.3!,f=-8.2!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 HIS :FLIP no HD1:sc= 0 F(o=-0.53,f=0) USER MOD Single : A 79 SER OG : rot -176:sc= -0.406 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 170:sc= -0.383 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc= -1.28 K(o=-1.3,f=-6.3!) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 46:sc= 1.28 USER MOD Single : A 99 SER OG : rot 96:sc= 1.21 USER MOD Single : A 100 TYR OH : rot 39:sc= 1.29 USER MOD Single : A 101 GLN : amide:sc= -0.289 X(o=-0.29,f=-0.18) USER MOD Single : A 105 ASN : amide:sc= 1.03 K(o=1,f=0) USER MOD Single : A 111 LYS NZ :NH3+ 173:sc= 1.03 (180deg=0.903) USER MOD Single : A 113 LYS NZ :NH3+ -148:sc= 0.967 (180deg=0.158) USER MOD Single : A 117 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.736 -12.448 10.991 1.00 0.00 N ATOM 2 CA MET A 1 -3.755 -11.387 10.842 1.00 0.00 C ATOM 3 C MET A 1 -4.467 -11.526 9.507 1.00 0.00 C ATOM 4 O MET A 1 -3.851 -11.836 8.489 1.00 0.00 O ATOM 5 CB MET A 1 -3.110 -10.006 10.952 1.00 0.00 C ATOM 6 CG MET A 1 -4.089 -8.850 10.792 1.00 0.00 C ATOM 7 SD MET A 1 -3.299 -7.239 10.973 1.00 0.00 S ATOM 8 CE MET A 1 -2.092 -7.304 9.652 1.00 0.00 C ATOM 0 H1 MET A 1 -1.877 -12.047 11.418 1.00 0.00 H new ATOM 0 H2 MET A 1 -3.107 -13.202 11.604 1.00 0.00 H new ATOM 0 H3 MET A 1 -2.507 -12.843 10.057 1.00 0.00 H new ATOM 0 HA MET A 1 -4.485 -11.495 11.644 1.00 0.00 H new ATOM 0 HB2 MET A 1 -2.620 -9.922 11.922 1.00 0.00 H new ATOM 0 HB3 MET A 1 -2.333 -9.918 10.193 1.00 0.00 H new ATOM 0 HG2 MET A 1 -4.560 -8.911 9.811 1.00 0.00 H new ATOM 0 HG3 MET A 1 -4.883 -8.946 11.533 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.697 -6.304 9.470 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.277 -7.970 9.936 1.00 0.00 H new ATOM 0 HE3 MET A 1 -2.566 -7.677 8.744 1.00 0.00 H new ATOM 20 N THR A 2 -5.764 -11.292 9.522 1.00 0.00 N ATOM 21 CA THR A 2 -6.590 -11.482 8.350 1.00 0.00 C ATOM 22 C THR A 2 -6.768 -10.173 7.584 1.00 0.00 C ATOM 23 O THR A 2 -6.611 -9.087 8.145 1.00 0.00 O ATOM 24 CB THR A 2 -7.962 -12.032 8.761 1.00 0.00 C ATOM 25 OG1 THR A 2 -7.875 -12.620 10.066 1.00 0.00 O ATOM 26 CG2 THR A 2 -8.418 -13.086 7.776 1.00 0.00 C ATOM 0 H THR A 2 -6.272 -10.966 10.344 1.00 0.00 H new ATOM 0 HA THR A 2 -6.091 -12.197 7.696 1.00 0.00 H new ATOM 0 HB THR A 2 -8.679 -11.211 8.771 1.00 0.00 H new ATOM 0 HG1 THR A 2 -7.896 -11.914 10.745 1.00 0.00 H new ATOM 0 HG21 THR A 2 -9.393 -13.469 8.078 1.00 0.00 H new ATOM 0 HG22 THR A 2 -8.493 -12.646 6.781 1.00 0.00 H new ATOM 0 HG23 THR A 2 -7.697 -13.903 7.758 1.00 0.00 H new ATOM 34 N ILE A 3 -7.103 -10.282 6.300 1.00 0.00 N ATOM 35 CA ILE A 3 -7.291 -9.110 5.449 1.00 0.00 C ATOM 36 C ILE A 3 -8.432 -8.233 5.960 1.00 0.00 C ATOM 37 O ILE A 3 -8.362 -7.011 5.884 1.00 0.00 O ATOM 38 CB ILE A 3 -7.557 -9.521 3.982 1.00 0.00 C ATOM 39 CG1 ILE A 3 -6.333 -10.240 3.406 1.00 0.00 C ATOM 40 CG2 ILE A 3 -7.912 -8.312 3.125 1.00 0.00 C ATOM 41 CD1 ILE A 3 -5.068 -9.405 3.444 1.00 0.00 C ATOM 0 H ILE A 3 -7.250 -11.173 5.825 1.00 0.00 H new ATOM 0 HA ILE A 3 -6.367 -8.533 5.486 1.00 0.00 H new ATOM 0 HB ILE A 3 -8.408 -10.201 3.970 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -6.167 -11.162 3.963 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -6.540 -10.524 2.374 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -8.093 -8.634 2.099 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -8.810 -7.837 3.520 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -7.087 -7.600 3.141 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -4.242 -9.976 3.021 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -5.215 -8.495 2.863 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -4.836 -9.143 4.476 1.00 0.00 H new ATOM 53 N SER A 4 -9.466 -8.866 6.501 1.00 0.00 N ATOM 54 CA SER A 4 -10.604 -8.149 7.063 1.00 0.00 C ATOM 55 C SER A 4 -10.156 -7.178 8.158 1.00 0.00 C ATOM 56 O SER A 4 -10.652 -6.053 8.247 1.00 0.00 O ATOM 57 CB SER A 4 -11.611 -9.153 7.621 1.00 0.00 C ATOM 58 OG SER A 4 -11.958 -10.108 6.633 1.00 0.00 O ATOM 0 H SER A 4 -9.540 -9.881 6.562 1.00 0.00 H new ATOM 0 HA SER A 4 -11.075 -7.564 6.273 1.00 0.00 H new ATOM 0 HB2 SER A 4 -11.188 -9.657 8.490 1.00 0.00 H new ATOM 0 HB3 SER A 4 -12.505 -8.630 7.960 1.00 0.00 H new ATOM 0 HG SER A 4 -12.602 -10.745 7.006 1.00 0.00 H new ATOM 64 N GLU A 5 -9.199 -7.615 8.967 1.00 0.00 N ATOM 65 CA GLU A 5 -8.660 -6.793 10.043 1.00 0.00 C ATOM 66 C GLU A 5 -7.839 -5.643 9.474 1.00 0.00 C ATOM 67 O GLU A 5 -7.954 -4.502 9.919 1.00 0.00 O ATOM 68 CB GLU A 5 -7.791 -7.646 10.968 1.00 0.00 C ATOM 69 CG GLU A 5 -8.526 -8.838 11.554 1.00 0.00 C ATOM 70 CD GLU A 5 -7.611 -9.754 12.337 1.00 0.00 C ATOM 71 OE1 GLU A 5 -7.428 -9.528 13.547 1.00 0.00 O ATOM 72 OE2 GLU A 5 -7.070 -10.708 11.740 1.00 0.00 O ATOM 0 H GLU A 5 -8.778 -8.541 8.897 1.00 0.00 H new ATOM 0 HA GLU A 5 -9.491 -6.380 10.614 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -6.922 -8.001 10.413 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -7.418 -7.023 11.781 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -9.325 -8.484 12.206 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -8.997 -9.402 10.749 1.00 0.00 H new ATOM 79 N LEU A 6 -7.025 -5.960 8.474 1.00 0.00 N ATOM 80 CA LEU A 6 -6.168 -4.976 7.825 1.00 0.00 C ATOM 81 C LEU A 6 -7.022 -3.933 7.100 1.00 0.00 C ATOM 82 O LEU A 6 -6.717 -2.741 7.122 1.00 0.00 O ATOM 83 CB LEU A 6 -5.217 -5.696 6.850 1.00 0.00 C ATOM 84 CG LEU A 6 -3.988 -4.906 6.373 1.00 0.00 C ATOM 85 CD1 LEU A 6 -4.356 -3.915 5.280 1.00 0.00 C ATOM 86 CD2 LEU A 6 -3.329 -4.186 7.542 1.00 0.00 C ATOM 0 H LEU A 6 -6.941 -6.902 8.092 1.00 0.00 H new ATOM 0 HA LEU A 6 -5.570 -4.455 8.573 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -4.868 -6.611 7.329 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -5.791 -5.994 5.973 1.00 0.00 H new ATOM 0 HG LEU A 6 -3.277 -5.618 5.954 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -3.464 -3.373 4.965 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -4.774 -4.451 4.428 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -5.094 -3.209 5.662 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.461 -3.632 7.185 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -4.041 -3.494 7.991 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -3.013 -4.916 8.287 1.00 0.00 H new ATOM 98 N LEU A 7 -8.098 -4.395 6.477 1.00 0.00 N ATOM 99 CA LEU A 7 -9.034 -3.521 5.779 1.00 0.00 C ATOM 100 C LEU A 7 -9.592 -2.475 6.741 1.00 0.00 C ATOM 101 O LEU A 7 -9.557 -1.274 6.466 1.00 0.00 O ATOM 102 CB LEU A 7 -10.169 -4.366 5.179 1.00 0.00 C ATOM 103 CG LEU A 7 -11.010 -3.704 4.074 1.00 0.00 C ATOM 104 CD1 LEU A 7 -11.986 -2.687 4.647 1.00 0.00 C ATOM 105 CD2 LEU A 7 -10.111 -3.049 3.036 1.00 0.00 C ATOM 0 H LEU A 7 -8.347 -5.383 6.441 1.00 0.00 H new ATOM 0 HA LEU A 7 -8.516 -3.001 4.974 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -9.736 -5.281 4.775 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -10.839 -4.660 5.987 1.00 0.00 H new ATOM 0 HG LEU A 7 -11.592 -4.488 3.590 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -12.563 -2.240 3.837 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -12.662 -3.184 5.343 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -11.433 -1.908 5.172 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -10.725 -2.586 2.263 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -9.496 -2.287 3.516 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -9.467 -3.804 2.585 1.00 0.00 H new ATOM 117 N GLN A 8 -10.089 -2.941 7.878 1.00 0.00 N ATOM 118 CA GLN A 8 -10.660 -2.055 8.883 1.00 0.00 C ATOM 119 C GLN A 8 -9.596 -1.111 9.444 1.00 0.00 C ATOM 120 O GLN A 8 -9.891 0.030 9.800 1.00 0.00 O ATOM 121 CB GLN A 8 -11.307 -2.873 10.002 1.00 0.00 C ATOM 122 CG GLN A 8 -11.957 -2.026 11.082 1.00 0.00 C ATOM 123 CD GLN A 8 -12.837 -2.841 12.006 1.00 0.00 C ATOM 124 OE1 GLN A 8 -13.430 -3.839 11.599 1.00 0.00 O ATOM 125 NE2 GLN A 8 -12.928 -2.428 13.256 1.00 0.00 N ATOM 0 H GLN A 8 -10.108 -3.930 8.128 1.00 0.00 H new ATOM 0 HA GLN A 8 -11.430 -1.446 8.410 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -12.059 -3.533 9.569 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -10.549 -3.509 10.459 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -11.182 -1.531 11.667 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -12.553 -1.242 10.615 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -12.421 -1.595 13.556 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -13.505 -2.941 13.922 1.00 0.00 H new ATOM 134 N TYR A 9 -8.355 -1.585 9.496 1.00 0.00 N ATOM 135 CA TYR A 9 -7.235 -0.764 9.945 1.00 0.00 C ATOM 136 C TYR A 9 -7.020 0.406 8.988 1.00 0.00 C ATOM 137 O TYR A 9 -6.674 1.509 9.408 1.00 0.00 O ATOM 138 CB TYR A 9 -5.960 -1.614 10.044 1.00 0.00 C ATOM 139 CG TYR A 9 -4.741 -0.852 10.524 1.00 0.00 C ATOM 140 CD1 TYR A 9 -4.610 -0.478 11.855 1.00 0.00 C ATOM 141 CD2 TYR A 9 -3.717 -0.519 9.646 1.00 0.00 C ATOM 142 CE1 TYR A 9 -3.494 0.209 12.297 1.00 0.00 C ATOM 143 CE2 TYR A 9 -2.598 0.168 10.080 1.00 0.00 C ATOM 144 CZ TYR A 9 -2.492 0.530 11.407 1.00 0.00 C ATOM 145 OH TYR A 9 -1.378 1.208 11.850 1.00 0.00 O ATOM 0 H TYR A 9 -8.099 -2.536 9.232 1.00 0.00 H new ATOM 0 HA TYR A 9 -7.466 -0.367 10.933 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -6.144 -2.447 10.722 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -5.745 -2.042 9.065 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -5.392 -0.728 12.556 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -3.796 -0.802 8.607 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -3.408 0.493 13.336 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -1.811 0.420 9.384 1.00 0.00 H new ATOM 0 HH TYR A 9 -1.230 1.996 11.287 1.00 0.00 H new ATOM 155 N CYS A 10 -7.243 0.159 7.704 1.00 0.00 N ATOM 156 CA CYS A 10 -7.086 1.186 6.685 1.00 0.00 C ATOM 157 C CYS A 10 -8.225 2.196 6.752 1.00 0.00 C ATOM 158 O CYS A 10 -8.018 3.393 6.558 1.00 0.00 O ATOM 159 CB CYS A 10 -7.034 0.547 5.301 1.00 0.00 C ATOM 160 SG CYS A 10 -5.755 -0.718 5.140 1.00 0.00 S ATOM 0 H CYS A 10 -7.535 -0.749 7.343 1.00 0.00 H new ATOM 0 HA CYS A 10 -6.150 1.712 6.871 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -8.004 0.102 5.078 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -6.861 1.324 4.557 1.00 0.00 H new ATOM 0 HG CYS A 10 -5.837 -1.548 6.137 1.00 0.00 H new ATOM 166 N MET A 11 -9.428 1.708 7.043 1.00 0.00 N ATOM 167 CA MET A 11 -10.600 2.575 7.161 1.00 0.00 C ATOM 168 C MET A 11 -10.540 3.406 8.439 1.00 0.00 C ATOM 169 O MET A 11 -11.340 4.320 8.636 1.00 0.00 O ATOM 170 CB MET A 11 -11.892 1.751 7.123 1.00 0.00 C ATOM 171 CG MET A 11 -12.528 1.632 5.739 1.00 0.00 C ATOM 172 SD MET A 11 -11.457 0.865 4.500 1.00 0.00 S ATOM 173 CE MET A 11 -10.564 2.286 3.869 1.00 0.00 C ATOM 0 H MET A 11 -9.618 0.718 7.201 1.00 0.00 H new ATOM 0 HA MET A 11 -10.597 3.256 6.310 1.00 0.00 H new ATOM 0 HB2 MET A 11 -11.681 0.750 7.499 1.00 0.00 H new ATOM 0 HB3 MET A 11 -12.615 2.201 7.804 1.00 0.00 H new ATOM 0 HG2 MET A 11 -13.446 1.050 5.821 1.00 0.00 H new ATOM 0 HG3 MET A 11 -12.811 2.626 5.394 1.00 0.00 H new ATOM 0 HE1 MET A 11 -10.516 2.232 2.781 1.00 0.00 H new ATOM 0 HE2 MET A 11 -11.079 3.200 4.164 1.00 0.00 H new ATOM 0 HE3 MET A 11 -9.553 2.291 4.277 1.00 0.00 H new ATOM 183 N ALA A 12 -9.583 3.091 9.304 1.00 0.00 N ATOM 184 CA ALA A 12 -9.362 3.864 10.516 1.00 0.00 C ATOM 185 C ALA A 12 -8.486 5.079 10.221 1.00 0.00 C ATOM 186 O ALA A 12 -8.228 5.904 11.098 1.00 0.00 O ATOM 187 CB ALA A 12 -8.727 2.996 11.593 1.00 0.00 C ATOM 0 H ALA A 12 -8.947 2.303 9.186 1.00 0.00 H new ATOM 0 HA ALA A 12 -10.326 4.216 10.883 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -8.569 3.590 12.493 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -9.387 2.159 11.822 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -7.770 2.616 11.236 1.00 0.00 H new ATOM 193 N LYS A 13 -8.028 5.176 8.980 1.00 0.00 N ATOM 194 CA LYS A 13 -7.209 6.298 8.548 1.00 0.00 C ATOM 195 C LYS A 13 -8.065 7.305 7.788 1.00 0.00 C ATOM 196 O LYS A 13 -8.723 6.956 6.804 1.00 0.00 O ATOM 197 CB LYS A 13 -6.059 5.803 7.659 1.00 0.00 C ATOM 198 CG LYS A 13 -5.125 4.823 8.354 1.00 0.00 C ATOM 199 CD LYS A 13 -4.242 5.511 9.384 1.00 0.00 C ATOM 200 CE LYS A 13 -3.464 4.498 10.208 1.00 0.00 C ATOM 201 NZ LYS A 13 -2.425 5.143 11.055 1.00 0.00 N ATOM 0 H LYS A 13 -8.212 4.486 8.252 1.00 0.00 H new ATOM 0 HA LYS A 13 -6.786 6.786 9.427 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -6.477 5.326 6.772 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -5.481 6.661 7.317 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -5.713 4.046 8.842 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -4.499 4.330 7.611 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -3.548 6.183 8.880 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -4.857 6.123 10.043 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -4.154 3.942 10.843 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -2.991 3.776 9.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -2.073 4.458 11.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -1.637 5.462 10.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -2.838 5.960 11.549 1.00 0.00 H new ATOM 215 N PRO A 14 -8.089 8.562 8.246 1.00 0.00 N ATOM 216 CA PRO A 14 -8.891 9.619 7.620 1.00 0.00 C ATOM 217 C PRO A 14 -8.423 9.942 6.204 1.00 0.00 C ATOM 218 O PRO A 14 -7.233 10.147 5.963 1.00 0.00 O ATOM 219 CB PRO A 14 -8.683 10.834 8.537 1.00 0.00 C ATOM 220 CG PRO A 14 -8.121 10.282 9.804 1.00 0.00 C ATOM 221 CD PRO A 14 -7.346 9.059 9.411 1.00 0.00 C ATOM 0 HA PRO A 14 -9.935 9.321 7.519 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -8.001 11.555 8.086 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -9.623 11.355 8.718 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -7.477 11.011 10.296 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -8.915 10.032 10.507 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -6.313 9.299 9.159 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -7.316 8.324 10.215 1.00 0.00 H new ATOM 229 N GLY A 15 -9.361 9.966 5.270 1.00 0.00 N ATOM 230 CA GLY A 15 -9.048 10.353 3.905 1.00 0.00 C ATOM 231 C GLY A 15 -8.875 9.169 2.977 1.00 0.00 C ATOM 232 O GLY A 15 -8.917 9.321 1.757 1.00 0.00 O ATOM 0 H GLY A 15 -10.339 9.724 5.431 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -9.844 10.993 3.524 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -8.133 10.946 3.902 1.00 0.00 H new ATOM 236 N ALA A 16 -8.691 7.989 3.548 1.00 0.00 N ATOM 237 CA ALA A 16 -8.475 6.787 2.757 1.00 0.00 C ATOM 238 C ALA A 16 -9.800 6.131 2.392 1.00 0.00 C ATOM 239 O ALA A 16 -10.723 6.077 3.206 1.00 0.00 O ATOM 240 CB ALA A 16 -7.587 5.814 3.515 1.00 0.00 C ATOM 0 H ALA A 16 -8.687 7.838 4.557 1.00 0.00 H new ATOM 0 HA ALA A 16 -7.974 7.069 1.831 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -7.432 4.918 2.913 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -6.625 6.284 3.721 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -8.066 5.541 4.455 1.00 0.00 H new ATOM 246 N GLU A 17 -9.899 5.646 1.161 1.00 0.00 N ATOM 247 CA GLU A 17 -11.104 4.965 0.709 1.00 0.00 C ATOM 248 C GLU A 17 -10.743 3.817 -0.232 1.00 0.00 C ATOM 249 O GLU A 17 -9.614 3.741 -0.720 1.00 0.00 O ATOM 250 CB GLU A 17 -12.049 5.959 0.028 1.00 0.00 C ATOM 251 CG GLU A 17 -13.500 5.507 0.013 1.00 0.00 C ATOM 252 CD GLU A 17 -14.454 6.646 -0.269 1.00 0.00 C ATOM 253 OE1 GLU A 17 -14.388 7.664 0.454 1.00 0.00 O ATOM 254 OE2 GLU A 17 -15.274 6.531 -1.205 1.00 0.00 O ATOM 0 H GLU A 17 -9.161 5.712 0.460 1.00 0.00 H new ATOM 0 HA GLU A 17 -11.618 4.544 1.573 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -11.982 6.920 0.539 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -11.717 6.119 -0.998 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -13.629 4.733 -0.743 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -13.748 5.058 0.975 1.00 0.00 H new ATOM 261 N GLN A 18 -11.706 2.933 -0.479 1.00 0.00 N ATOM 262 CA GLN A 18 -11.468 1.723 -1.258 1.00 0.00 C ATOM 263 C GLN A 18 -11.713 1.948 -2.746 1.00 0.00 C ATOM 264 O GLN A 18 -12.528 2.782 -3.141 1.00 0.00 O ATOM 265 CB GLN A 18 -12.377 0.591 -0.769 1.00 0.00 C ATOM 266 CG GLN A 18 -12.075 0.110 0.641 1.00 0.00 C ATOM 267 CD GLN A 18 -13.017 -0.992 1.085 1.00 0.00 C ATOM 268 OE1 GLN A 18 -12.764 -2.174 0.853 1.00 0.00 O ATOM 269 NE2 GLN A 18 -14.112 -0.618 1.728 1.00 0.00 N ATOM 0 H GLN A 18 -12.665 3.034 -0.148 1.00 0.00 H new ATOM 0 HA GLN A 18 -10.422 1.451 -1.118 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -13.413 0.929 -0.811 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -12.289 -0.252 -1.454 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -11.048 -0.252 0.687 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -12.149 0.949 1.333 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -14.288 0.371 1.902 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -14.779 -1.319 2.049 1.00 0.00 H new ATOM 278 N SER A 19 -10.975 1.207 -3.559 1.00 0.00 N ATOM 279 CA SER A 19 -11.177 1.165 -5.002 1.00 0.00 C ATOM 280 C SER A 19 -10.866 -0.247 -5.499 1.00 0.00 C ATOM 281 O SER A 19 -10.202 -1.009 -4.798 1.00 0.00 O ATOM 282 CB SER A 19 -10.274 2.188 -5.698 1.00 0.00 C ATOM 283 OG SER A 19 -10.499 3.497 -5.196 1.00 0.00 O ATOM 0 H SER A 19 -10.212 0.613 -3.234 1.00 0.00 H new ATOM 0 HA SER A 19 -12.211 1.417 -5.236 1.00 0.00 H new ATOM 0 HB2 SER A 19 -9.229 1.914 -5.551 1.00 0.00 H new ATOM 0 HB3 SER A 19 -10.460 2.170 -6.772 1.00 0.00 H new ATOM 0 HG SER A 19 -9.909 4.130 -5.656 1.00 0.00 H new ATOM 289 N VAL A 20 -11.355 -0.611 -6.678 1.00 0.00 N ATOM 290 CA VAL A 20 -11.093 -1.937 -7.221 1.00 0.00 C ATOM 291 C VAL A 20 -11.088 -1.923 -8.749 1.00 0.00 C ATOM 292 O VAL A 20 -11.763 -1.108 -9.379 1.00 0.00 O ATOM 293 CB VAL A 20 -12.135 -2.955 -6.708 1.00 0.00 C ATOM 294 CG1 VAL A 20 -13.528 -2.631 -7.229 1.00 0.00 C ATOM 295 CG2 VAL A 20 -11.733 -4.384 -7.061 1.00 0.00 C ATOM 0 H VAL A 20 -11.930 -0.013 -7.271 1.00 0.00 H new ATOM 0 HA VAL A 20 -10.104 -2.240 -6.878 1.00 0.00 H new ATOM 0 HB VAL A 20 -12.163 -2.878 -5.621 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -14.238 -3.366 -6.850 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -13.820 -1.636 -6.892 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -13.524 -2.658 -8.319 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -12.486 -5.077 -6.686 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -11.655 -4.483 -8.144 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -10.770 -4.614 -6.605 1.00 0.00 H new ATOM 305 N HIS A 21 -10.290 -2.808 -9.333 1.00 0.00 N ATOM 306 CA HIS A 21 -10.273 -3.010 -10.776 1.00 0.00 C ATOM 307 C HIS A 21 -10.254 -4.501 -11.089 1.00 0.00 C ATOM 308 O HIS A 21 -9.632 -5.288 -10.366 1.00 0.00 O ATOM 309 CB HIS A 21 -9.071 -2.309 -11.421 1.00 0.00 C ATOM 310 CG HIS A 21 -9.265 -0.833 -11.590 1.00 0.00 C ATOM 311 ND1 HIS A 21 -8.739 0.108 -10.728 1.00 0.00 N ATOM 312 CD2 HIS A 21 -9.935 -0.137 -12.536 1.00 0.00 C ATOM 313 CE1 HIS A 21 -9.076 1.314 -11.141 1.00 0.00 C ATOM 314 NE2 HIS A 21 -9.801 1.194 -12.233 1.00 0.00 N ATOM 0 H HIS A 21 -9.639 -3.404 -8.822 1.00 0.00 H new ATOM 0 HA HIS A 21 -11.177 -2.569 -11.196 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -8.186 -2.484 -10.809 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -8.878 -2.757 -12.396 1.00 0.00 H new ATOM 0 HD1 HIS A 21 -8.178 -0.097 -9.901 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -10.475 -0.552 -13.374 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -8.803 2.244 -10.664 1.00 0.00 H new ATOM 323 N ASN A 22 -10.942 -4.886 -12.153 1.00 0.00 N ATOM 324 CA ASN A 22 -11.107 -6.294 -12.492 1.00 0.00 C ATOM 325 C ASN A 22 -9.901 -6.848 -13.237 1.00 0.00 C ATOM 326 O ASN A 22 -9.585 -6.420 -14.348 1.00 0.00 O ATOM 327 CB ASN A 22 -12.372 -6.510 -13.323 1.00 0.00 C ATOM 328 CG ASN A 22 -13.634 -6.460 -12.486 1.00 0.00 C ATOM 329 OD1 ASN A 22 -13.625 -6.797 -11.301 1.00 0.00 O ATOM 330 ND2 ASN A 22 -14.736 -6.064 -13.103 1.00 0.00 N ATOM 0 H ASN A 22 -11.397 -4.242 -12.800 1.00 0.00 H new ATOM 0 HA ASN A 22 -11.199 -6.836 -11.551 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -12.426 -5.748 -14.101 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -12.312 -7.475 -13.826 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -15.620 -6.030 -12.596 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -14.701 -5.793 -14.086 1.00 0.00 H new ATOM 337 N ASP A 23 -9.246 -7.811 -12.600 1.00 0.00 N ATOM 338 CA ASP A 23 -8.101 -8.523 -13.170 1.00 0.00 C ATOM 339 C ASP A 23 -7.614 -9.540 -12.151 1.00 0.00 C ATOM 340 O ASP A 23 -7.707 -10.751 -12.359 1.00 0.00 O ATOM 341 CB ASP A 23 -6.956 -7.563 -13.525 1.00 0.00 C ATOM 342 CG ASP A 23 -5.823 -8.255 -14.266 1.00 0.00 C ATOM 343 OD1 ASP A 23 -5.085 -9.042 -13.642 1.00 0.00 O ATOM 344 OD2 ASP A 23 -5.654 -8.002 -15.475 1.00 0.00 O ATOM 0 H ASP A 23 -9.495 -8.126 -11.662 1.00 0.00 H new ATOM 0 HA ASP A 23 -8.416 -9.014 -14.091 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -7.345 -6.751 -14.139 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -6.567 -7.113 -12.611 1.00 0.00 H new ATOM 349 N TRP A 24 -7.122 -9.021 -11.036 1.00 0.00 N ATOM 350 CA TRP A 24 -6.670 -9.837 -9.915 1.00 0.00 C ATOM 351 C TRP A 24 -7.323 -9.359 -8.618 1.00 0.00 C ATOM 352 O TRP A 24 -6.839 -9.646 -7.523 1.00 0.00 O ATOM 353 CB TRP A 24 -5.134 -9.794 -9.799 1.00 0.00 C ATOM 354 CG TRP A 24 -4.522 -8.412 -9.810 1.00 0.00 C ATOM 355 CD1 TRP A 24 -5.169 -7.207 -9.818 1.00 0.00 C ATOM 356 CD2 TRP A 24 -3.121 -8.105 -9.816 1.00 0.00 C ATOM 357 NE1 TRP A 24 -4.259 -6.179 -9.836 1.00 0.00 N ATOM 358 CE2 TRP A 24 -2.996 -6.706 -9.831 1.00 0.00 C ATOM 359 CE3 TRP A 24 -1.960 -8.884 -9.812 1.00 0.00 C ATOM 360 CZ2 TRP A 24 -1.757 -6.068 -9.842 1.00 0.00 C ATOM 361 CZ3 TRP A 24 -0.732 -8.250 -9.821 1.00 0.00 C ATOM 362 CH2 TRP A 24 -0.638 -6.854 -9.836 1.00 0.00 C ATOM 0 H TRP A 24 -7.024 -8.018 -10.881 1.00 0.00 H new ATOM 0 HA TRP A 24 -6.968 -10.870 -10.093 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -4.842 -10.295 -8.876 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -4.708 -10.368 -10.622 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -6.242 -7.082 -9.811 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -4.487 -5.185 -9.851 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -2.022 -9.962 -9.802 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -1.683 -4.991 -9.855 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 0.171 -8.842 -9.816 1.00 0.00 H new ATOM 0 HH2 TRP A 24 0.337 -6.389 -9.843 1.00 0.00 H new ATOM 373 N LYS A 25 -8.438 -8.638 -8.772 1.00 0.00 N ATOM 374 CA LYS A 25 -9.180 -8.062 -7.648 1.00 0.00 C ATOM 375 C LYS A 25 -8.255 -7.247 -6.751 1.00 0.00 C ATOM 376 O LYS A 25 -7.873 -7.678 -5.663 1.00 0.00 O ATOM 377 CB LYS A 25 -9.886 -9.147 -6.826 1.00 0.00 C ATOM 378 CG LYS A 25 -10.955 -8.592 -5.900 1.00 0.00 C ATOM 379 CD LYS A 25 -11.343 -9.584 -4.815 1.00 0.00 C ATOM 380 CE LYS A 25 -12.440 -9.020 -3.928 1.00 0.00 C ATOM 381 NZ LYS A 25 -12.528 -9.736 -2.630 1.00 0.00 N ATOM 0 H LYS A 25 -8.852 -8.437 -9.682 1.00 0.00 H new ATOM 0 HA LYS A 25 -9.941 -7.402 -8.064 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -10.340 -9.870 -7.504 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -9.146 -9.686 -6.235 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -10.593 -7.674 -5.438 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -11.838 -8.329 -6.483 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -11.682 -10.514 -5.272 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -10.470 -9.826 -4.210 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -12.251 -7.962 -3.746 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -13.397 -9.089 -4.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -13.288 -9.320 -2.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -12.733 -10.741 -2.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -11.624 -9.649 -2.123 1.00 0.00 H new ATOM 395 N ALA A 26 -7.881 -6.077 -7.227 1.00 0.00 N ATOM 396 CA ALA A 26 -6.992 -5.212 -6.481 1.00 0.00 C ATOM 397 C ALA A 26 -7.785 -4.193 -5.685 1.00 0.00 C ATOM 398 O ALA A 26 -8.361 -3.268 -6.258 1.00 0.00 O ATOM 399 CB ALA A 26 -6.024 -4.509 -7.417 1.00 0.00 C ATOM 0 H ALA A 26 -8.179 -5.704 -8.128 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.420 -5.827 -5.786 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -5.363 -3.863 -6.839 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.430 -5.251 -7.951 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.583 -3.908 -8.134 1.00 0.00 H new ATOM 405 N THR A 27 -7.837 -4.374 -4.374 1.00 0.00 N ATOM 406 CA THR A 27 -8.453 -3.389 -3.515 1.00 0.00 C ATOM 407 C THR A 27 -7.448 -2.273 -3.272 1.00 0.00 C ATOM 408 O THR A 27 -6.390 -2.494 -2.685 1.00 0.00 O ATOM 409 CB THR A 27 -8.896 -4.012 -2.174 1.00 0.00 C ATOM 410 OG1 THR A 27 -9.696 -5.177 -2.428 1.00 0.00 O ATOM 411 CG2 THR A 27 -9.697 -3.019 -1.343 1.00 0.00 C ATOM 0 H THR A 27 -7.462 -5.189 -3.890 1.00 0.00 H new ATOM 0 HA THR A 27 -9.347 -2.996 -4.000 1.00 0.00 H new ATOM 0 HB THR A 27 -8.003 -4.286 -1.613 1.00 0.00 H new ATOM 0 HG1 THR A 27 -9.976 -5.574 -1.577 1.00 0.00 H new ATOM 0 HG21 THR A 27 -9.995 -3.487 -0.405 1.00 0.00 H new ATOM 0 HG22 THR A 27 -9.084 -2.142 -1.133 1.00 0.00 H new ATOM 0 HG23 THR A 27 -10.586 -2.716 -1.896 1.00 0.00 H new ATOM 419 N GLN A 28 -7.780 -1.088 -3.736 1.00 0.00 N ATOM 420 CA GLN A 28 -6.847 0.019 -3.741 1.00 0.00 C ATOM 421 C GLN A 28 -7.210 1.030 -2.672 1.00 0.00 C ATOM 422 O GLN A 28 -8.383 1.339 -2.472 1.00 0.00 O ATOM 423 CB GLN A 28 -6.837 0.676 -5.121 1.00 0.00 C ATOM 424 CG GLN A 28 -6.501 -0.298 -6.240 1.00 0.00 C ATOM 425 CD GLN A 28 -6.628 0.314 -7.616 1.00 0.00 C ATOM 426 OE1 GLN A 28 -7.693 0.276 -8.229 1.00 0.00 O ATOM 427 NE2 GLN A 28 -5.539 0.873 -8.118 1.00 0.00 N ATOM 0 H GLN A 28 -8.699 -0.865 -4.119 1.00 0.00 H new ATOM 0 HA GLN A 28 -5.849 -0.359 -3.520 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -7.814 1.119 -5.314 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -6.112 1.490 -5.125 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -5.483 -0.662 -6.103 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -7.161 -1.163 -6.171 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -4.675 0.883 -7.576 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -5.564 1.294 -9.047 1.00 0.00 H new ATOM 436 N ILE A 29 -6.200 1.526 -1.981 1.00 0.00 N ATOM 437 CA ILE A 29 -6.397 2.511 -0.937 1.00 0.00 C ATOM 438 C ILE A 29 -5.794 3.836 -1.373 1.00 0.00 C ATOM 439 O ILE A 29 -4.572 3.967 -1.476 1.00 0.00 O ATOM 440 CB ILE A 29 -5.735 2.063 0.383 1.00 0.00 C ATOM 441 CG1 ILE A 29 -6.067 0.596 0.673 1.00 0.00 C ATOM 442 CG2 ILE A 29 -6.198 2.948 1.532 1.00 0.00 C ATOM 443 CD1 ILE A 29 -5.249 -0.001 1.797 1.00 0.00 C ATOM 0 H ILE A 29 -5.227 1.259 -2.127 1.00 0.00 H new ATOM 0 HA ILE A 29 -7.468 2.620 -0.768 1.00 0.00 H new ATOM 0 HB ILE A 29 -4.654 2.161 0.282 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -7.125 0.514 0.922 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -5.907 0.010 -0.232 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -5.723 2.621 2.457 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -5.922 3.983 1.328 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -7.281 2.875 1.634 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -5.539 -1.041 1.945 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -4.190 0.048 1.542 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -5.428 0.560 2.715 1.00 0.00 H new ATOM 455 N LYS A 30 -6.643 4.809 -1.656 1.00 0.00 N ATOM 456 CA LYS A 30 -6.166 6.104 -2.105 1.00 0.00 C ATOM 457 C LYS A 30 -6.960 7.229 -1.458 1.00 0.00 C ATOM 458 O LYS A 30 -8.026 6.999 -0.879 1.00 0.00 O ATOM 459 CB LYS A 30 -6.248 6.221 -3.634 1.00 0.00 C ATOM 460 CG LYS A 30 -7.655 6.429 -4.176 1.00 0.00 C ATOM 461 CD LYS A 30 -7.635 6.725 -5.670 1.00 0.00 C ATOM 462 CE LYS A 30 -8.971 7.273 -6.144 1.00 0.00 C ATOM 463 NZ LYS A 30 -8.957 7.620 -7.594 1.00 0.00 N ATOM 0 H LYS A 30 -7.657 4.728 -1.584 1.00 0.00 H new ATOM 0 HA LYS A 30 -5.122 6.193 -1.804 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -5.621 7.053 -3.956 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -5.831 5.317 -4.078 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -8.255 5.539 -3.988 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -8.133 7.253 -3.646 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -6.846 7.445 -5.889 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -7.398 5.814 -6.220 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -9.751 6.535 -5.957 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -9.225 8.160 -5.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -9.616 8.405 -7.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -7.997 7.905 -7.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -9.248 6.792 -8.152 1.00 0.00 H new ATOM 477 N VAL A 31 -6.419 8.434 -1.547 1.00 0.00 N ATOM 478 CA VAL A 31 -7.111 9.633 -1.099 1.00 0.00 C ATOM 479 C VAL A 31 -7.860 10.235 -2.289 1.00 0.00 C ATOM 480 O VAL A 31 -8.566 9.514 -2.992 1.00 0.00 O ATOM 481 CB VAL A 31 -6.130 10.674 -0.504 1.00 0.00 C ATOM 482 CG1 VAL A 31 -6.855 11.632 0.434 1.00 0.00 C ATOM 483 CG2 VAL A 31 -4.972 9.992 0.216 1.00 0.00 C ATOM 0 H VAL A 31 -5.490 8.609 -1.931 1.00 0.00 H new ATOM 0 HA VAL A 31 -7.809 9.361 -0.308 1.00 0.00 H new ATOM 0 HB VAL A 31 -5.719 11.252 -1.332 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -6.144 12.353 0.838 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -7.634 12.160 -0.116 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -7.306 11.069 1.251 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -4.301 10.748 0.623 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -5.360 9.377 1.028 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -4.426 9.363 -0.487 1.00 0.00 H new ATOM 493 N GLU A 32 -7.721 11.547 -2.493 1.00 0.00 N ATOM 494 CA GLU A 32 -8.274 12.230 -3.669 1.00 0.00 C ATOM 495 C GLU A 32 -8.069 11.384 -4.924 1.00 0.00 C ATOM 496 O GLU A 32 -9.023 10.864 -5.507 1.00 0.00 O ATOM 497 CB GLU A 32 -7.576 13.577 -3.863 1.00 0.00 C ATOM 498 CG GLU A 32 -7.726 14.534 -2.694 1.00 0.00 C ATOM 499 CD GLU A 32 -9.102 15.160 -2.614 1.00 0.00 C ATOM 500 OE1 GLU A 32 -9.657 15.524 -3.671 1.00 0.00 O ATOM 501 OE2 GLU A 32 -9.617 15.334 -1.493 1.00 0.00 O ATOM 0 H GLU A 32 -7.224 12.165 -1.852 1.00 0.00 H new ATOM 0 HA GLU A 32 -9.341 12.383 -3.506 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -6.515 13.401 -4.039 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -7.973 14.053 -4.760 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -7.521 14.000 -1.766 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -6.979 15.323 -2.779 1.00 0.00 H new ATOM 508 N ASP A 33 -6.814 11.266 -5.338 1.00 0.00 N ATOM 509 CA ASP A 33 -6.440 10.350 -6.404 1.00 0.00 C ATOM 510 C ASP A 33 -5.021 9.834 -6.160 1.00 0.00 C ATOM 511 O ASP A 33 -4.407 9.201 -7.020 1.00 0.00 O ATOM 512 CB ASP A 33 -6.542 11.039 -7.769 1.00 0.00 C ATOM 513 CG ASP A 33 -6.382 10.068 -8.923 1.00 0.00 C ATOM 514 OD1 ASP A 33 -6.988 8.974 -8.873 1.00 0.00 O ATOM 515 OD2 ASP A 33 -5.657 10.395 -9.885 1.00 0.00 O ATOM 0 H ASP A 33 -6.035 11.797 -4.948 1.00 0.00 H new ATOM 0 HA ASP A 33 -7.128 9.505 -6.406 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -7.508 11.538 -7.849 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -5.777 11.812 -7.840 1.00 0.00 H new ATOM 520 N VAL A 34 -4.512 10.095 -4.965 1.00 0.00 N ATOM 521 CA VAL A 34 -3.170 9.674 -4.595 1.00 0.00 C ATOM 522 C VAL A 34 -3.183 8.223 -4.137 1.00 0.00 C ATOM 523 O VAL A 34 -3.595 7.924 -3.015 1.00 0.00 O ATOM 524 CB VAL A 34 -2.582 10.557 -3.472 1.00 0.00 C ATOM 525 CG1 VAL A 34 -1.158 10.136 -3.142 1.00 0.00 C ATOM 526 CG2 VAL A 34 -2.627 12.025 -3.865 1.00 0.00 C ATOM 0 H VAL A 34 -5.011 10.599 -4.232 1.00 0.00 H new ATOM 0 HA VAL A 34 -2.541 9.780 -5.479 1.00 0.00 H new ATOM 0 HB VAL A 34 -3.193 10.421 -2.580 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -0.765 10.772 -2.349 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -1.153 9.098 -2.811 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -0.534 10.236 -4.030 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -2.208 12.630 -3.061 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -2.045 12.176 -4.774 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -3.660 12.323 -4.043 1.00 0.00 H new ATOM 536 N LEU A 35 -2.775 7.325 -5.023 1.00 0.00 N ATOM 537 CA LEU A 35 -2.684 5.910 -4.695 1.00 0.00 C ATOM 538 C LEU A 35 -1.313 5.608 -4.110 1.00 0.00 C ATOM 539 O LEU A 35 -0.290 5.915 -4.724 1.00 0.00 O ATOM 540 CB LEU A 35 -2.923 5.051 -5.940 1.00 0.00 C ATOM 541 CG LEU A 35 -2.839 3.537 -5.717 1.00 0.00 C ATOM 542 CD1 LEU A 35 -3.942 3.072 -4.778 1.00 0.00 C ATOM 543 CD2 LEU A 35 -2.913 2.798 -7.045 1.00 0.00 C ATOM 0 H LEU A 35 -2.501 7.553 -5.979 1.00 0.00 H new ATOM 0 HA LEU A 35 -3.452 5.671 -3.960 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -3.908 5.288 -6.341 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.193 5.331 -6.700 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.880 3.309 -5.253 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -3.865 1.995 -4.632 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -3.839 3.576 -3.817 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -4.913 3.311 -5.211 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -2.852 1.724 -6.868 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -3.856 3.031 -7.539 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -2.084 3.109 -7.681 1.00 0.00 H new ATOM 555 N PHE A 36 -1.292 5.028 -2.921 1.00 0.00 N ATOM 556 CA PHE A 36 -0.038 4.714 -2.255 1.00 0.00 C ATOM 557 C PHE A 36 0.149 3.209 -2.089 1.00 0.00 C ATOM 558 O PHE A 36 1.279 2.720 -2.100 1.00 0.00 O ATOM 559 CB PHE A 36 0.049 5.433 -0.899 1.00 0.00 C ATOM 560 CG PHE A 36 -1.204 5.357 -0.065 1.00 0.00 C ATOM 561 CD1 PHE A 36 -1.426 4.289 0.789 1.00 0.00 C ATOM 562 CD2 PHE A 36 -2.151 6.367 -0.125 1.00 0.00 C ATOM 563 CE1 PHE A 36 -2.566 4.229 1.564 1.00 0.00 C ATOM 564 CE2 PHE A 36 -3.294 6.310 0.646 1.00 0.00 C ATOM 565 CZ PHE A 36 -3.501 5.239 1.492 1.00 0.00 C ATOM 0 H PHE A 36 -2.127 4.765 -2.398 1.00 0.00 H new ATOM 0 HA PHE A 36 0.773 5.074 -2.888 1.00 0.00 H new ATOM 0 HB2 PHE A 36 0.875 5.007 -0.329 1.00 0.00 H new ATOM 0 HB3 PHE A 36 0.290 6.482 -1.074 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.698 3.494 0.849 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -1.993 7.209 -0.783 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -2.726 3.391 2.227 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -4.026 7.102 0.588 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.395 5.193 2.097 1.00 0.00 H new ATOM 575 N ALA A 37 -0.954 2.476 -1.958 1.00 0.00 N ATOM 576 CA ALA A 37 -0.885 1.032 -1.778 1.00 0.00 C ATOM 577 C ALA A 37 -2.203 0.364 -2.155 1.00 0.00 C ATOM 578 O ALA A 37 -3.274 0.962 -2.036 1.00 0.00 O ATOM 579 CB ALA A 37 -0.518 0.696 -0.337 1.00 0.00 C ATOM 0 H ALA A 37 -1.900 2.857 -1.973 1.00 0.00 H new ATOM 0 HA ALA A 37 -0.110 0.648 -2.441 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -0.470 -0.386 -0.217 1.00 0.00 H new ATOM 0 HB2 ALA A 37 0.452 1.131 -0.098 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -1.274 1.103 0.335 1.00 0.00 H new ATOM 585 N MET A 38 -2.115 -0.873 -2.623 1.00 0.00 N ATOM 586 CA MET A 38 -3.300 -1.665 -2.927 1.00 0.00 C ATOM 587 C MET A 38 -3.050 -3.141 -2.635 1.00 0.00 C ATOM 588 O MET A 38 -1.945 -3.643 -2.838 1.00 0.00 O ATOM 589 CB MET A 38 -3.754 -1.482 -4.384 1.00 0.00 C ATOM 590 CG MET A 38 -2.718 -1.837 -5.441 1.00 0.00 C ATOM 591 SD MET A 38 -1.499 -0.534 -5.692 1.00 0.00 S ATOM 592 CE MET A 38 -0.636 -1.144 -7.137 1.00 0.00 C ATOM 0 H MET A 38 -1.232 -1.352 -2.801 1.00 0.00 H new ATOM 0 HA MET A 38 -4.102 -1.306 -2.282 1.00 0.00 H new ATOM 0 HB2 MET A 38 -4.641 -2.093 -4.550 1.00 0.00 H new ATOM 0 HB3 MET A 38 -4.052 -0.443 -4.526 1.00 0.00 H new ATOM 0 HG2 MET A 38 -2.207 -2.754 -5.148 1.00 0.00 H new ATOM 0 HG3 MET A 38 -3.224 -2.041 -6.385 1.00 0.00 H new ATOM 0 HE1 MET A 38 0.436 -1.155 -6.943 1.00 0.00 H new ATOM 0 HE2 MET A 38 -0.974 -2.155 -7.363 1.00 0.00 H new ATOM 0 HE3 MET A 38 -0.844 -0.494 -7.987 1.00 0.00 H new ATOM 602 N VAL A 39 -4.085 -3.828 -2.160 1.00 0.00 N ATOM 603 CA VAL A 39 -3.966 -5.224 -1.759 1.00 0.00 C ATOM 604 C VAL A 39 -4.672 -6.147 -2.757 1.00 0.00 C ATOM 605 O VAL A 39 -5.780 -5.865 -3.217 1.00 0.00 O ATOM 606 CB VAL A 39 -4.529 -5.449 -0.333 1.00 0.00 C ATOM 607 CG1 VAL A 39 -6.010 -5.107 -0.261 1.00 0.00 C ATOM 608 CG2 VAL A 39 -4.285 -6.880 0.130 1.00 0.00 C ATOM 0 H VAL A 39 -5.020 -3.437 -2.043 1.00 0.00 H new ATOM 0 HA VAL A 39 -2.904 -5.470 -1.751 1.00 0.00 H new ATOM 0 HB VAL A 39 -3.997 -4.776 0.340 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -6.374 -5.276 0.753 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -6.155 -4.060 -0.529 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -6.564 -5.739 -0.955 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -4.690 -7.012 1.134 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -4.777 -7.572 -0.553 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -3.214 -7.081 0.141 1.00 0.00 H new ATOM 618 N LYS A 40 -4.009 -7.240 -3.102 1.00 0.00 N ATOM 619 CA LYS A 40 -4.533 -8.198 -4.065 1.00 0.00 C ATOM 620 C LYS A 40 -4.474 -9.592 -3.460 1.00 0.00 C ATOM 621 O LYS A 40 -3.726 -9.827 -2.510 1.00 0.00 O ATOM 622 CB LYS A 40 -3.713 -8.195 -5.372 1.00 0.00 C ATOM 623 CG LYS A 40 -3.578 -6.839 -6.065 1.00 0.00 C ATOM 624 CD LYS A 40 -2.613 -5.903 -5.337 1.00 0.00 C ATOM 625 CE LYS A 40 -1.243 -6.535 -5.129 1.00 0.00 C ATOM 626 NZ LYS A 40 -0.511 -6.727 -6.408 1.00 0.00 N ATOM 0 H LYS A 40 -3.095 -7.488 -2.724 1.00 0.00 H new ATOM 0 HA LYS A 40 -5.559 -7.915 -4.299 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.714 -8.572 -5.154 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -4.173 -8.895 -6.070 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -3.231 -6.990 -7.087 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -4.559 -6.367 -6.128 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -2.503 -4.982 -5.909 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -3.035 -5.629 -4.370 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -0.651 -5.904 -4.465 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -1.361 -7.498 -4.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -0.159 -7.704 -6.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -1.153 -6.545 -7.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 0.291 -6.067 -6.451 1.00 0.00 H new ATOM 640 N GLU A 41 -5.256 -10.507 -4.005 1.00 0.00 N ATOM 641 CA GLU A 41 -5.180 -11.898 -3.600 1.00 0.00 C ATOM 642 C GLU A 41 -4.831 -12.738 -4.819 1.00 0.00 C ATOM 643 O GLU A 41 -5.626 -12.865 -5.752 1.00 0.00 O ATOM 644 CB GLU A 41 -6.507 -12.348 -2.972 1.00 0.00 C ATOM 645 CG GLU A 41 -6.419 -13.648 -2.177 1.00 0.00 C ATOM 646 CD GLU A 41 -6.466 -14.893 -3.043 1.00 0.00 C ATOM 647 OE1 GLU A 41 -7.583 -15.338 -3.382 1.00 0.00 O ATOM 648 OE2 GLU A 41 -5.395 -15.444 -3.371 1.00 0.00 O ATOM 0 H GLU A 41 -5.949 -10.312 -4.727 1.00 0.00 H new ATOM 0 HA GLU A 41 -4.406 -12.026 -2.843 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -6.870 -11.558 -2.315 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -7.247 -12.469 -3.763 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -5.493 -13.650 -1.602 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -7.240 -13.682 -1.461 1.00 0.00 H new ATOM 655 N VAL A 42 -3.630 -13.293 -4.809 1.00 0.00 N ATOM 656 CA VAL A 42 -3.129 -14.048 -5.940 1.00 0.00 C ATOM 657 C VAL A 42 -2.289 -15.220 -5.453 1.00 0.00 C ATOM 658 O VAL A 42 -1.595 -15.113 -4.441 1.00 0.00 O ATOM 659 CB VAL A 42 -2.296 -13.149 -6.887 1.00 0.00 C ATOM 660 CG1 VAL A 42 -1.070 -12.584 -6.181 1.00 0.00 C ATOM 661 CG2 VAL A 42 -1.893 -13.902 -8.148 1.00 0.00 C ATOM 0 H VAL A 42 -2.982 -13.233 -4.023 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.983 -14.428 -6.501 1.00 0.00 H new ATOM 0 HB VAL A 42 -2.929 -12.311 -7.181 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -0.508 -11.958 -6.874 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -1.386 -11.986 -5.326 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -0.438 -13.403 -5.838 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -1.309 -13.245 -8.793 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -1.293 -14.771 -7.877 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -2.788 -14.230 -8.678 1.00 0.00 H new ATOM 671 N GLU A 43 -2.379 -16.343 -6.161 1.00 0.00 N ATOM 672 CA GLU A 43 -1.645 -17.552 -5.798 1.00 0.00 C ATOM 673 C GLU A 43 -2.085 -18.063 -4.429 1.00 0.00 C ATOM 674 O GLU A 43 -1.334 -18.775 -3.755 1.00 0.00 O ATOM 675 CB GLU A 43 -0.135 -17.292 -5.807 1.00 0.00 C ATOM 676 CG GLU A 43 0.416 -16.963 -7.181 1.00 0.00 C ATOM 677 CD GLU A 43 0.086 -18.035 -8.196 1.00 0.00 C ATOM 678 OE1 GLU A 43 0.690 -19.124 -8.133 1.00 0.00 O ATOM 679 OE2 GLU A 43 -0.794 -17.802 -9.052 1.00 0.00 O ATOM 0 H GLU A 43 -2.958 -16.441 -6.995 1.00 0.00 H new ATOM 0 HA GLU A 43 -1.870 -18.318 -6.540 1.00 0.00 H new ATOM 0 HB2 GLU A 43 0.087 -16.468 -5.129 1.00 0.00 H new ATOM 0 HB3 GLU A 43 0.379 -18.172 -5.420 1.00 0.00 H new ATOM 0 HG2 GLU A 43 0.009 -16.009 -7.516 1.00 0.00 H new ATOM 0 HG3 GLU A 43 1.498 -16.844 -7.119 1.00 0.00 H new ATOM 686 N ASN A 44 -3.313 -17.700 -4.046 1.00 0.00 N ATOM 687 CA ASN A 44 -3.900 -18.075 -2.760 1.00 0.00 C ATOM 688 C ASN A 44 -3.192 -17.356 -1.624 1.00 0.00 C ATOM 689 O ASN A 44 -3.227 -17.798 -0.479 1.00 0.00 O ATOM 690 CB ASN A 44 -3.857 -19.592 -2.538 1.00 0.00 C ATOM 691 CG ASN A 44 -4.562 -20.368 -3.632 1.00 0.00 C ATOM 692 OD1 ASN A 44 -5.491 -19.869 -4.271 1.00 0.00 O ATOM 693 ND2 ASN A 44 -4.135 -21.602 -3.849 1.00 0.00 N ATOM 0 H ASN A 44 -3.931 -17.133 -4.626 1.00 0.00 H new ATOM 0 HA ASN A 44 -4.947 -17.772 -2.775 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -2.818 -19.917 -2.481 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -4.317 -19.827 -1.578 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -4.578 -22.176 -4.566 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -3.363 -21.979 -3.299 1.00 0.00 H new ATOM 700 N ARG A 45 -2.561 -16.236 -1.945 1.00 0.00 N ATOM 701 CA ARG A 45 -1.829 -15.461 -0.959 1.00 0.00 C ATOM 702 C ARG A 45 -2.125 -13.975 -1.098 1.00 0.00 C ATOM 703 O ARG A 45 -2.088 -13.421 -2.197 1.00 0.00 O ATOM 704 CB ARG A 45 -0.325 -15.706 -1.087 1.00 0.00 C ATOM 705 CG ARG A 45 0.131 -17.004 -0.447 1.00 0.00 C ATOM 706 CD ARG A 45 1.618 -17.236 -0.638 1.00 0.00 C ATOM 707 NE ARG A 45 2.120 -18.288 0.239 1.00 0.00 N ATOM 708 CZ ARG A 45 2.655 -19.431 -0.188 1.00 0.00 C ATOM 709 NH1 ARG A 45 2.722 -19.701 -1.486 1.00 0.00 N ATOM 710 NH2 ARG A 45 3.131 -20.306 0.684 1.00 0.00 N ATOM 0 H ARG A 45 -2.543 -15.844 -2.886 1.00 0.00 H new ATOM 0 HA ARG A 45 -2.158 -15.788 0.027 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -0.055 -15.716 -2.143 1.00 0.00 H new ATOM 0 HB3 ARG A 45 0.211 -14.875 -0.628 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -0.100 -16.984 0.618 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -0.425 -17.837 -0.878 1.00 0.00 H new ATOM 0 HD2 ARG A 45 1.813 -17.504 -1.676 1.00 0.00 H new ATOM 0 HD3 ARG A 45 2.158 -16.310 -0.441 1.00 0.00 H new ATOM 0 HE ARG A 45 2.057 -18.139 1.246 1.00 0.00 H new ATOM 0 HH11 ARG A 45 2.362 -19.031 -2.166 1.00 0.00 H new ATOM 0 HH12 ARG A 45 3.133 -20.579 -1.804 1.00 0.00 H new ATOM 0 HH21 ARG A 45 3.088 -20.105 1.683 1.00 0.00 H new ATOM 0 HH22 ARG A 45 3.541 -21.181 0.357 1.00 0.00 H new ATOM 724 N PRO A 46 -2.434 -13.315 0.023 1.00 0.00 N ATOM 725 CA PRO A 46 -2.655 -11.873 0.052 1.00 0.00 C ATOM 726 C PRO A 46 -1.354 -11.109 -0.159 1.00 0.00 C ATOM 727 O PRO A 46 -0.365 -11.345 0.536 1.00 0.00 O ATOM 728 CB PRO A 46 -3.204 -11.607 1.461 1.00 0.00 C ATOM 729 CG PRO A 46 -3.523 -12.951 2.031 1.00 0.00 C ATOM 730 CD PRO A 46 -2.602 -13.918 1.350 1.00 0.00 C ATOM 0 HA PRO A 46 -3.330 -11.546 -0.739 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -2.470 -11.085 2.075 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -4.093 -10.977 1.422 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -3.372 -12.963 3.110 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -4.566 -13.213 1.852 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -1.652 -14.013 1.876 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -3.034 -14.917 1.290 1.00 0.00 H new ATOM 738 N ALA A 47 -1.351 -10.205 -1.121 1.00 0.00 N ATOM 739 CA ALA A 47 -0.159 -9.434 -1.429 1.00 0.00 C ATOM 740 C ALA A 47 -0.499 -7.960 -1.592 1.00 0.00 C ATOM 741 O ALA A 47 -1.520 -7.614 -2.180 1.00 0.00 O ATOM 742 CB ALA A 47 0.497 -9.972 -2.689 1.00 0.00 C ATOM 0 H ALA A 47 -2.160 -9.986 -1.703 1.00 0.00 H new ATOM 0 HA ALA A 47 0.542 -9.530 -0.600 1.00 0.00 H new ATOM 0 HB1 ALA A 47 1.390 -9.388 -2.912 1.00 0.00 H new ATOM 0 HB2 ALA A 47 0.774 -11.015 -2.538 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.202 -9.899 -3.522 1.00 0.00 H new ATOM 748 N VAL A 48 0.358 -7.095 -1.080 1.00 0.00 N ATOM 749 CA VAL A 48 0.126 -5.660 -1.165 1.00 0.00 C ATOM 750 C VAL A 48 1.218 -4.996 -2.002 1.00 0.00 C ATOM 751 O VAL A 48 2.377 -5.411 -1.965 1.00 0.00 O ATOM 752 CB VAL A 48 0.042 -5.013 0.241 1.00 0.00 C ATOM 753 CG1 VAL A 48 1.340 -5.196 1.011 1.00 0.00 C ATOM 754 CG2 VAL A 48 -0.326 -3.537 0.152 1.00 0.00 C ATOM 0 H VAL A 48 1.220 -7.358 -0.602 1.00 0.00 H new ATOM 0 HA VAL A 48 -0.835 -5.504 -1.655 1.00 0.00 H new ATOM 0 HB VAL A 48 -0.750 -5.525 0.787 1.00 0.00 H new ATOM 0 HG11 VAL A 48 1.249 -4.731 1.993 1.00 0.00 H new ATOM 0 HG12 VAL A 48 1.545 -6.260 1.131 1.00 0.00 H new ATOM 0 HG13 VAL A 48 2.158 -4.728 0.462 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -0.377 -3.114 1.155 1.00 0.00 H new ATOM 0 HG22 VAL A 48 0.430 -3.008 -0.428 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -1.295 -3.432 -0.335 1.00 0.00 H new ATOM 764 N SER A 49 0.835 -4.000 -2.784 1.00 0.00 N ATOM 765 CA SER A 49 1.775 -3.305 -3.647 1.00 0.00 C ATOM 766 C SER A 49 1.998 -1.875 -3.177 1.00 0.00 C ATOM 767 O SER A 49 1.047 -1.114 -3.010 1.00 0.00 O ATOM 768 CB SER A 49 1.271 -3.299 -5.090 1.00 0.00 C ATOM 769 OG SER A 49 1.088 -4.617 -5.579 1.00 0.00 O ATOM 0 H SER A 49 -0.123 -3.654 -2.839 1.00 0.00 H new ATOM 0 HA SER A 49 2.725 -3.838 -3.600 1.00 0.00 H new ATOM 0 HB2 SER A 49 0.328 -2.754 -5.146 1.00 0.00 H new ATOM 0 HB3 SER A 49 1.983 -2.770 -5.724 1.00 0.00 H new ATOM 0 HG SER A 49 1.961 -5.019 -5.770 1.00 0.00 H new ATOM 775 N LEU A 50 3.256 -1.533 -2.948 1.00 0.00 N ATOM 776 CA LEU A 50 3.640 -0.167 -2.619 1.00 0.00 C ATOM 777 C LEU A 50 4.450 0.408 -3.772 1.00 0.00 C ATOM 778 O LEU A 50 4.982 -0.342 -4.594 1.00 0.00 O ATOM 779 CB LEU A 50 4.484 -0.099 -1.333 1.00 0.00 C ATOM 780 CG LEU A 50 3.765 -0.433 -0.017 1.00 0.00 C ATOM 781 CD1 LEU A 50 3.391 -1.908 0.063 1.00 0.00 C ATOM 782 CD2 LEU A 50 4.640 -0.056 1.166 1.00 0.00 C ATOM 0 H LEU A 50 4.036 -2.189 -2.984 1.00 0.00 H new ATOM 0 HA LEU A 50 2.729 0.408 -2.454 1.00 0.00 H new ATOM 0 HB2 LEU A 50 5.327 -0.781 -1.443 1.00 0.00 H new ATOM 0 HB3 LEU A 50 4.897 0.906 -1.250 1.00 0.00 H new ATOM 0 HG LEU A 50 2.843 0.147 0.012 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.885 -2.104 1.008 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.727 -2.160 -0.764 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.294 -2.516 0.002 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.121 -0.297 2.094 1.00 0.00 H new ATOM 0 HD22 LEU A 50 5.576 -0.613 1.119 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.852 1.013 1.136 1.00 0.00 H new ATOM 794 N LYS A 51 4.545 1.723 -3.843 1.00 0.00 N ATOM 795 CA LYS A 51 5.386 2.355 -4.842 1.00 0.00 C ATOM 796 C LYS A 51 6.772 2.561 -4.247 1.00 0.00 C ATOM 797 O LYS A 51 6.891 2.960 -3.088 1.00 0.00 O ATOM 798 CB LYS A 51 4.780 3.687 -5.298 1.00 0.00 C ATOM 799 CG LYS A 51 5.230 4.118 -6.685 1.00 0.00 C ATOM 800 CD LYS A 51 4.507 5.374 -7.150 1.00 0.00 C ATOM 801 CE LYS A 51 4.751 5.646 -8.631 1.00 0.00 C ATOM 802 NZ LYS A 51 6.183 5.916 -8.934 1.00 0.00 N ATOM 0 H LYS A 51 4.054 2.370 -3.226 1.00 0.00 H new ATOM 0 HA LYS A 51 5.459 1.715 -5.722 1.00 0.00 H new ATOM 0 HB2 LYS A 51 3.693 3.605 -5.287 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.048 4.463 -4.581 1.00 0.00 H new ATOM 0 HG2 LYS A 51 6.305 4.299 -6.678 1.00 0.00 H new ATOM 0 HG3 LYS A 51 5.047 3.310 -7.394 1.00 0.00 H new ATOM 0 HD2 LYS A 51 3.437 5.266 -6.971 1.00 0.00 H new ATOM 0 HD3 LYS A 51 4.844 6.228 -6.562 1.00 0.00 H new ATOM 0 HE2 LYS A 51 4.415 4.789 -9.214 1.00 0.00 H new ATOM 0 HE3 LYS A 51 4.150 6.500 -8.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 6.290 6.128 -9.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 6.509 6.729 -8.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 6.752 5.080 -8.693 1.00 0.00 H new ATOM 816 N THR A 52 7.808 2.259 -5.023 1.00 0.00 N ATOM 817 CA THR A 52 9.180 2.293 -4.524 1.00 0.00 C ATOM 818 C THR A 52 9.559 3.655 -3.942 1.00 0.00 C ATOM 819 O THR A 52 9.877 4.596 -4.666 1.00 0.00 O ATOM 820 CB THR A 52 10.188 1.897 -5.621 1.00 0.00 C ATOM 821 OG1 THR A 52 9.699 2.293 -6.911 1.00 0.00 O ATOM 822 CG2 THR A 52 10.445 0.399 -5.605 1.00 0.00 C ATOM 0 H THR A 52 7.724 1.987 -6.003 1.00 0.00 H new ATOM 0 HA THR A 52 9.225 1.561 -3.718 1.00 0.00 H new ATOM 0 HB THR A 52 11.127 2.412 -5.420 1.00 0.00 H new ATOM 0 HG1 THR A 52 9.113 1.593 -7.267 1.00 0.00 H new ATOM 0 HG21 THR A 52 11.159 0.144 -6.388 1.00 0.00 H new ATOM 0 HG22 THR A 52 10.851 0.110 -4.635 1.00 0.00 H new ATOM 0 HG23 THR A 52 9.510 -0.133 -5.780 1.00 0.00 H new ATOM 830 N SER A 53 9.489 3.746 -2.621 1.00 0.00 N ATOM 831 CA SER A 53 9.888 4.941 -1.896 1.00 0.00 C ATOM 832 C SER A 53 11.354 4.810 -1.485 1.00 0.00 C ATOM 833 O SER A 53 11.904 3.715 -1.554 1.00 0.00 O ATOM 834 CB SER A 53 8.994 5.099 -0.665 1.00 0.00 C ATOM 835 OG SER A 53 7.627 4.916 -1.004 1.00 0.00 O ATOM 0 H SER A 53 9.153 2.991 -2.022 1.00 0.00 H new ATOM 0 HA SER A 53 9.778 5.823 -2.527 1.00 0.00 H new ATOM 0 HB2 SER A 53 9.284 4.374 0.096 1.00 0.00 H new ATOM 0 HB3 SER A 53 9.136 6.089 -0.232 1.00 0.00 H new ATOM 0 HG SER A 53 7.536 4.133 -1.587 1.00 0.00 H new ATOM 841 N PRO A 54 12.004 5.910 -1.051 1.00 0.00 N ATOM 842 CA PRO A 54 13.424 5.904 -0.660 1.00 0.00 C ATOM 843 C PRO A 54 13.822 4.688 0.184 1.00 0.00 C ATOM 844 O PRO A 54 14.742 3.952 -0.169 1.00 0.00 O ATOM 845 CB PRO A 54 13.556 7.187 0.154 1.00 0.00 C ATOM 846 CG PRO A 54 12.562 8.115 -0.450 1.00 0.00 C ATOM 847 CD PRO A 54 11.415 7.262 -0.926 1.00 0.00 C ATOM 0 HA PRO A 54 14.080 5.849 -1.529 1.00 0.00 H new ATOM 0 HB2 PRO A 54 13.345 7.011 1.209 1.00 0.00 H new ATOM 0 HB3 PRO A 54 14.566 7.593 0.094 1.00 0.00 H new ATOM 0 HG2 PRO A 54 12.222 8.849 0.281 1.00 0.00 H new ATOM 0 HG3 PRO A 54 13.003 8.670 -1.278 1.00 0.00 H new ATOM 0 HD2 PRO A 54 10.588 7.273 -0.216 1.00 0.00 H new ATOM 0 HD3 PRO A 54 11.022 7.616 -1.879 1.00 0.00 H new ATOM 855 N GLU A 55 13.121 4.476 1.292 1.00 0.00 N ATOM 856 CA GLU A 55 13.432 3.361 2.181 1.00 0.00 C ATOM 857 C GLU A 55 12.899 2.042 1.620 1.00 0.00 C ATOM 858 O GLU A 55 13.578 1.020 1.671 1.00 0.00 O ATOM 859 CB GLU A 55 12.869 3.623 3.581 1.00 0.00 C ATOM 860 CG GLU A 55 13.275 2.579 4.611 1.00 0.00 C ATOM 861 CD GLU A 55 13.011 3.029 6.034 1.00 0.00 C ATOM 862 OE1 GLU A 55 13.895 3.693 6.621 1.00 0.00 O ATOM 863 OE2 GLU A 55 11.923 2.733 6.573 1.00 0.00 O ATOM 0 H GLU A 55 12.339 5.056 1.595 1.00 0.00 H new ATOM 0 HA GLU A 55 14.516 3.276 2.253 1.00 0.00 H new ATOM 0 HB2 GLU A 55 13.204 4.603 3.920 1.00 0.00 H new ATOM 0 HB3 GLU A 55 11.781 3.660 3.524 1.00 0.00 H new ATOM 0 HG2 GLU A 55 12.730 1.654 4.420 1.00 0.00 H new ATOM 0 HG3 GLU A 55 14.335 2.354 4.496 1.00 0.00 H new ATOM 870 N LEU A 56 11.696 2.079 1.054 1.00 0.00 N ATOM 871 CA LEU A 56 11.052 0.872 0.531 1.00 0.00 C ATOM 872 C LEU A 56 11.855 0.261 -0.619 1.00 0.00 C ATOM 873 O LEU A 56 11.895 -0.959 -0.780 1.00 0.00 O ATOM 874 CB LEU A 56 9.617 1.170 0.066 1.00 0.00 C ATOM 875 CG LEU A 56 8.562 1.315 1.176 1.00 0.00 C ATOM 876 CD1 LEU A 56 8.579 0.101 2.091 1.00 0.00 C ATOM 877 CD2 LEU A 56 8.771 2.594 1.976 1.00 0.00 C ATOM 0 H LEU A 56 11.145 2.930 0.945 1.00 0.00 H new ATOM 0 HA LEU A 56 11.015 0.149 1.346 1.00 0.00 H new ATOM 0 HB2 LEU A 56 9.630 2.091 -0.518 1.00 0.00 H new ATOM 0 HB3 LEU A 56 9.301 0.371 -0.605 1.00 0.00 H new ATOM 0 HG LEU A 56 7.583 1.377 0.700 1.00 0.00 H new ATOM 0 HD11 LEU A 56 7.826 0.222 2.870 1.00 0.00 H new ATOM 0 HD12 LEU A 56 8.360 -0.795 1.511 1.00 0.00 H new ATOM 0 HD13 LEU A 56 9.563 0.005 2.550 1.00 0.00 H new ATOM 0 HD21 LEU A 56 8.009 2.666 2.752 1.00 0.00 H new ATOM 0 HD22 LEU A 56 9.758 2.577 2.437 1.00 0.00 H new ATOM 0 HD23 LEU A 56 8.695 3.455 1.312 1.00 0.00 H new ATOM 889 N ALA A 57 12.497 1.110 -1.408 1.00 0.00 N ATOM 890 CA ALA A 57 13.306 0.649 -2.530 1.00 0.00 C ATOM 891 C ALA A 57 14.532 -0.113 -2.043 1.00 0.00 C ATOM 892 O ALA A 57 15.052 -0.985 -2.740 1.00 0.00 O ATOM 893 CB ALA A 57 13.724 1.825 -3.403 1.00 0.00 C ATOM 0 H ALA A 57 12.474 2.123 -1.293 1.00 0.00 H new ATOM 0 HA ALA A 57 12.699 -0.032 -3.127 1.00 0.00 H new ATOM 0 HB1 ALA A 57 14.327 1.464 -4.236 1.00 0.00 H new ATOM 0 HB2 ALA A 57 12.836 2.326 -3.789 1.00 0.00 H new ATOM 0 HB3 ALA A 57 14.309 2.529 -2.810 1.00 0.00 H new ATOM 899 N GLU A 58 14.980 0.214 -0.839 1.00 0.00 N ATOM 900 CA GLU A 58 16.126 -0.450 -0.238 1.00 0.00 C ATOM 901 C GLU A 58 15.774 -1.863 0.192 1.00 0.00 C ATOM 902 O GLU A 58 16.579 -2.782 0.055 1.00 0.00 O ATOM 903 CB GLU A 58 16.628 0.348 0.952 1.00 0.00 C ATOM 904 CG GLU A 58 17.400 1.593 0.557 1.00 0.00 C ATOM 905 CD GLU A 58 18.580 1.278 -0.339 1.00 0.00 C ATOM 906 OE1 GLU A 58 19.631 0.858 0.189 1.00 0.00 O ATOM 907 OE2 GLU A 58 18.465 1.460 -1.569 1.00 0.00 O ATOM 0 H GLU A 58 14.563 0.940 -0.257 1.00 0.00 H new ATOM 0 HA GLU A 58 16.916 -0.509 -0.987 1.00 0.00 H new ATOM 0 HB2 GLU A 58 15.779 0.637 1.571 1.00 0.00 H new ATOM 0 HB3 GLU A 58 17.267 -0.289 1.564 1.00 0.00 H new ATOM 0 HG2 GLU A 58 16.732 2.285 0.044 1.00 0.00 H new ATOM 0 HG3 GLU A 58 17.754 2.099 1.455 1.00 0.00 H new ATOM 914 N LEU A 59 14.575 -2.025 0.728 1.00 0.00 N ATOM 915 CA LEU A 59 14.058 -3.349 1.059 1.00 0.00 C ATOM 916 C LEU A 59 14.107 -4.260 -0.166 1.00 0.00 C ATOM 917 O LEU A 59 14.528 -5.410 -0.074 1.00 0.00 O ATOM 918 CB LEU A 59 12.624 -3.267 1.596 1.00 0.00 C ATOM 919 CG LEU A 59 12.487 -2.957 3.094 1.00 0.00 C ATOM 920 CD1 LEU A 59 13.034 -1.576 3.426 1.00 0.00 C ATOM 921 CD2 LEU A 59 11.031 -3.070 3.526 1.00 0.00 C ATOM 0 H LEU A 59 13.939 -1.258 0.944 1.00 0.00 H new ATOM 0 HA LEU A 59 14.691 -3.769 1.841 1.00 0.00 H new ATOM 0 HB2 LEU A 59 12.090 -2.500 1.035 1.00 0.00 H new ATOM 0 HB3 LEU A 59 12.126 -4.215 1.394 1.00 0.00 H new ATOM 0 HG LEU A 59 13.077 -3.690 3.644 1.00 0.00 H new ATOM 0 HD11 LEU A 59 12.922 -1.387 4.494 1.00 0.00 H new ATOM 0 HD12 LEU A 59 14.089 -1.529 3.158 1.00 0.00 H new ATOM 0 HD13 LEU A 59 12.483 -0.822 2.865 1.00 0.00 H new ATOM 0 HD21 LEU A 59 10.949 -2.848 4.590 1.00 0.00 H new ATOM 0 HD22 LEU A 59 10.427 -2.361 2.959 1.00 0.00 H new ATOM 0 HD23 LEU A 59 10.673 -4.082 3.338 1.00 0.00 H new ATOM 933 N LEU A 60 13.700 -3.725 -1.312 1.00 0.00 N ATOM 934 CA LEU A 60 13.745 -4.464 -2.572 1.00 0.00 C ATOM 935 C LEU A 60 15.193 -4.678 -3.007 1.00 0.00 C ATOM 936 O LEU A 60 15.556 -5.737 -3.520 1.00 0.00 O ATOM 937 CB LEU A 60 12.951 -3.695 -3.647 1.00 0.00 C ATOM 938 CG LEU A 60 12.818 -4.381 -5.016 1.00 0.00 C ATOM 939 CD1 LEU A 60 11.554 -3.910 -5.717 1.00 0.00 C ATOM 940 CD2 LEU A 60 14.027 -4.092 -5.896 1.00 0.00 C ATOM 0 H LEU A 60 13.333 -2.777 -1.396 1.00 0.00 H new ATOM 0 HA LEU A 60 13.288 -5.444 -2.436 1.00 0.00 H new ATOM 0 HB2 LEU A 60 11.950 -3.504 -3.261 1.00 0.00 H new ATOM 0 HB3 LEU A 60 13.426 -2.725 -3.795 1.00 0.00 H new ATOM 0 HG LEU A 60 12.762 -5.456 -4.847 1.00 0.00 H new ATOM 0 HD11 LEU A 60 11.470 -4.402 -6.686 1.00 0.00 H new ATOM 0 HD12 LEU A 60 10.686 -4.159 -5.107 1.00 0.00 H new ATOM 0 HD13 LEU A 60 11.599 -2.831 -5.861 1.00 0.00 H new ATOM 0 HD21 LEU A 60 13.904 -4.590 -6.858 1.00 0.00 H new ATOM 0 HD22 LEU A 60 14.114 -3.017 -6.053 1.00 0.00 H new ATOM 0 HD23 LEU A 60 14.929 -4.462 -5.408 1.00 0.00 H new ATOM 952 N ARG A 61 16.012 -3.660 -2.778 1.00 0.00 N ATOM 953 CA ARG A 61 17.421 -3.684 -3.152 1.00 0.00 C ATOM 954 C ARG A 61 18.163 -4.802 -2.417 1.00 0.00 C ATOM 955 O ARG A 61 18.959 -5.530 -3.011 1.00 0.00 O ATOM 956 CB ARG A 61 18.059 -2.330 -2.822 1.00 0.00 C ATOM 957 CG ARG A 61 19.481 -2.153 -3.334 1.00 0.00 C ATOM 958 CD ARG A 61 19.514 -1.899 -4.832 1.00 0.00 C ATOM 959 NE ARG A 61 20.852 -1.527 -5.289 1.00 0.00 N ATOM 960 CZ ARG A 61 21.284 -0.265 -5.381 1.00 0.00 C ATOM 961 NH1 ARG A 61 20.497 0.742 -5.015 1.00 0.00 N ATOM 962 NH2 ARG A 61 22.505 -0.013 -5.832 1.00 0.00 N ATOM 0 H ARG A 61 15.718 -2.793 -2.327 1.00 0.00 H new ATOM 0 HA ARG A 61 17.494 -3.874 -4.223 1.00 0.00 H new ATOM 0 HB2 ARG A 61 17.436 -1.539 -3.240 1.00 0.00 H new ATOM 0 HB3 ARG A 61 18.058 -2.198 -1.740 1.00 0.00 H new ATOM 0 HG2 ARG A 61 19.954 -1.320 -2.814 1.00 0.00 H new ATOM 0 HG3 ARG A 61 20.064 -3.045 -3.104 1.00 0.00 H new ATOM 0 HD2 ARG A 61 19.185 -2.794 -5.360 1.00 0.00 H new ATOM 0 HD3 ARG A 61 18.810 -1.105 -5.082 1.00 0.00 H new ATOM 0 HE ARG A 61 21.494 -2.274 -5.553 1.00 0.00 H new ATOM 0 HH11 ARG A 61 19.559 0.554 -4.662 1.00 0.00 H new ATOM 0 HH12 ARG A 61 20.831 1.703 -5.087 1.00 0.00 H new ATOM 0 HH21 ARG A 61 23.115 -0.782 -6.109 1.00 0.00 H new ATOM 0 HH22 ARG A 61 22.834 0.950 -5.902 1.00 0.00 H new ATOM 976 N GLN A 62 17.895 -4.928 -1.124 1.00 0.00 N ATOM 977 CA GLN A 62 18.581 -5.906 -0.289 1.00 0.00 C ATOM 978 C GLN A 62 17.874 -7.262 -0.301 1.00 0.00 C ATOM 979 O GLN A 62 18.505 -8.294 -0.526 1.00 0.00 O ATOM 980 CB GLN A 62 18.702 -5.389 1.150 1.00 0.00 C ATOM 981 CG GLN A 62 19.933 -4.523 1.405 1.00 0.00 C ATOM 982 CD GLN A 62 20.009 -3.293 0.518 1.00 0.00 C ATOM 983 OE1 GLN A 62 20.572 -3.338 -0.574 1.00 0.00 O ATOM 984 NE2 GLN A 62 19.455 -2.184 0.987 1.00 0.00 N ATOM 0 H GLN A 62 17.205 -4.363 -0.629 1.00 0.00 H new ATOM 0 HA GLN A 62 19.578 -6.048 -0.706 1.00 0.00 H new ATOM 0 HB2 GLN A 62 17.810 -4.812 1.393 1.00 0.00 H new ATOM 0 HB3 GLN A 62 18.725 -6.241 1.829 1.00 0.00 H new ATOM 0 HG2 GLN A 62 19.935 -4.208 2.449 1.00 0.00 H new ATOM 0 HG3 GLN A 62 20.828 -5.126 1.252 1.00 0.00 H new ATOM 0 HE21 GLN A 62 18.997 -2.189 1.898 1.00 0.00 H new ATOM 0 HE22 GLN A 62 19.486 -1.326 0.436 1.00 0.00 H new ATOM 993 N GLN A 63 16.571 -7.262 -0.064 1.00 0.00 N ATOM 994 CA GLN A 63 15.823 -8.508 0.043 1.00 0.00 C ATOM 995 C GLN A 63 15.118 -8.839 -1.265 1.00 0.00 C ATOM 996 O GLN A 63 14.101 -8.241 -1.610 1.00 0.00 O ATOM 997 CB GLN A 63 14.810 -8.429 1.187 1.00 0.00 C ATOM 998 CG GLN A 63 15.453 -8.244 2.553 1.00 0.00 C ATOM 999 CD GLN A 63 16.384 -9.386 2.923 1.00 0.00 C ATOM 1000 OE1 GLN A 63 16.177 -10.532 2.518 1.00 0.00 O ATOM 1001 NE2 GLN A 63 17.413 -9.084 3.698 1.00 0.00 N ATOM 0 H GLN A 63 16.011 -6.418 0.058 1.00 0.00 H new ATOM 0 HA GLN A 63 16.532 -9.307 0.257 1.00 0.00 H new ATOM 0 HB2 GLN A 63 14.127 -7.601 1.000 1.00 0.00 H new ATOM 0 HB3 GLN A 63 14.212 -9.340 1.196 1.00 0.00 H new ATOM 0 HG2 GLN A 63 16.011 -7.308 2.563 1.00 0.00 H new ATOM 0 HG3 GLN A 63 14.672 -8.158 3.309 1.00 0.00 H new ATOM 0 HE21 GLN A 63 17.550 -8.123 4.012 1.00 0.00 H new ATOM 0 HE22 GLN A 63 18.069 -9.812 3.981 1.00 0.00 H new ATOM 1010 N HIS A 64 15.665 -9.806 -1.983 1.00 0.00 N ATOM 1011 CA HIS A 64 15.126 -10.206 -3.275 1.00 0.00 C ATOM 1012 C HIS A 64 14.073 -11.307 -3.104 1.00 0.00 C ATOM 1013 O HIS A 64 13.487 -11.781 -4.075 1.00 0.00 O ATOM 1014 CB HIS A 64 16.272 -10.690 -4.180 1.00 0.00 C ATOM 1015 CG HIS A 64 15.869 -11.008 -5.588 1.00 0.00 C ATOM 1016 ND1 HIS A 64 15.724 -12.296 -6.054 1.00 0.00 N ATOM 1017 CD2 HIS A 64 15.594 -10.199 -6.637 1.00 0.00 C ATOM 1018 CE1 HIS A 64 15.378 -12.267 -7.325 1.00 0.00 C ATOM 1019 NE2 HIS A 64 15.290 -11.008 -7.706 1.00 0.00 N ATOM 0 H HIS A 64 16.488 -10.333 -1.691 1.00 0.00 H new ATOM 0 HA HIS A 64 14.641 -9.348 -3.740 1.00 0.00 H new ATOM 0 HB2 HIS A 64 17.047 -9.923 -4.203 1.00 0.00 H new ATOM 0 HB3 HIS A 64 16.717 -11.580 -3.735 1.00 0.00 H new ATOM 0 HD2 HIS A 64 15.610 -9.119 -6.635 1.00 0.00 H new ATOM 0 HE1 HIS A 64 15.197 -13.129 -7.949 1.00 0.00 H new ATOM 0 HE2 HIS A 64 15.038 -10.687 -8.641 1.00 0.00 H new ATOM 1028 N SER A 65 13.820 -11.699 -1.866 1.00 0.00 N ATOM 1029 CA SER A 65 12.910 -12.804 -1.594 1.00 0.00 C ATOM 1030 C SER A 65 11.500 -12.322 -1.246 1.00 0.00 C ATOM 1031 O SER A 65 10.511 -12.928 -1.657 1.00 0.00 O ATOM 1032 CB SER A 65 13.463 -13.662 -0.454 1.00 0.00 C ATOM 1033 OG SER A 65 14.767 -14.125 -0.757 1.00 0.00 O ATOM 0 H SER A 65 14.229 -11.272 -1.035 1.00 0.00 H new ATOM 0 HA SER A 65 12.835 -13.398 -2.505 1.00 0.00 H new ATOM 0 HB2 SER A 65 13.484 -13.080 0.467 1.00 0.00 H new ATOM 0 HB3 SER A 65 12.803 -14.511 -0.279 1.00 0.00 H new ATOM 0 HG SER A 65 15.102 -14.670 -0.014 1.00 0.00 H new ATOM 1039 N ASP A 66 11.411 -11.230 -0.503 1.00 0.00 N ATOM 1040 CA ASP A 66 10.132 -10.786 0.048 1.00 0.00 C ATOM 1041 C ASP A 66 9.304 -10.001 -0.967 1.00 0.00 C ATOM 1042 O ASP A 66 8.074 -9.976 -0.886 1.00 0.00 O ATOM 1043 CB ASP A 66 10.361 -9.928 1.299 1.00 0.00 C ATOM 1044 CG ASP A 66 11.002 -10.705 2.436 1.00 0.00 C ATOM 1045 OD1 ASP A 66 12.230 -10.921 2.393 1.00 0.00 O ATOM 1046 OD2 ASP A 66 10.283 -11.101 3.382 1.00 0.00 O ATOM 0 H ASP A 66 12.204 -10.634 -0.266 1.00 0.00 H new ATOM 0 HA ASP A 66 9.571 -11.682 0.311 1.00 0.00 H new ATOM 0 HB2 ASP A 66 10.996 -9.080 1.041 1.00 0.00 H new ATOM 0 HB3 ASP A 66 9.407 -9.522 1.635 1.00 0.00 H new ATOM 1051 N VAL A 67 9.970 -9.373 -1.924 1.00 0.00 N ATOM 1052 CA VAL A 67 9.296 -8.455 -2.832 1.00 0.00 C ATOM 1053 C VAL A 67 9.375 -8.920 -4.290 1.00 0.00 C ATOM 1054 O VAL A 67 10.358 -9.534 -4.715 1.00 0.00 O ATOM 1055 CB VAL A 67 9.893 -7.036 -2.701 1.00 0.00 C ATOM 1056 CG1 VAL A 67 11.361 -7.026 -3.085 1.00 0.00 C ATOM 1057 CG2 VAL A 67 9.113 -6.032 -3.533 1.00 0.00 C ATOM 0 H VAL A 67 10.970 -9.480 -2.092 1.00 0.00 H new ATOM 0 HA VAL A 67 8.244 -8.437 -2.548 1.00 0.00 H new ATOM 0 HB VAL A 67 9.813 -6.739 -1.655 1.00 0.00 H new ATOM 0 HG11 VAL A 67 11.757 -6.015 -2.984 1.00 0.00 H new ATOM 0 HG12 VAL A 67 11.913 -7.699 -2.429 1.00 0.00 H new ATOM 0 HG13 VAL A 67 11.469 -7.356 -4.118 1.00 0.00 H new ATOM 0 HG21 VAL A 67 9.557 -5.043 -3.420 1.00 0.00 H new ATOM 0 HG22 VAL A 67 9.144 -6.326 -4.582 1.00 0.00 H new ATOM 0 HG23 VAL A 67 8.077 -6.005 -3.194 1.00 0.00 H new ATOM 1116 N ARG A 71 5.409 -7.803 -12.442 1.00 0.00 N ATOM 1117 CA ARG A 71 5.590 -7.889 -13.892 1.00 0.00 C ATOM 1118 C ARG A 71 4.255 -7.861 -14.647 1.00 0.00 C ATOM 1119 O ARG A 71 4.197 -8.169 -15.835 1.00 0.00 O ATOM 1120 CB ARG A 71 6.356 -9.169 -14.237 1.00 0.00 C ATOM 1121 CG ARG A 71 5.638 -10.445 -13.832 1.00 0.00 C ATOM 1122 CD ARG A 71 6.456 -11.676 -14.184 1.00 0.00 C ATOM 1123 NE ARG A 71 7.689 -11.769 -13.398 1.00 0.00 N ATOM 1124 CZ ARG A 71 8.569 -12.762 -13.515 1.00 0.00 C ATOM 1125 NH1 ARG A 71 8.396 -13.697 -14.443 1.00 0.00 N ATOM 1126 NH2 ARG A 71 9.632 -12.807 -12.719 1.00 0.00 N ATOM 0 HA ARG A 71 6.159 -7.014 -14.207 1.00 0.00 H new ATOM 0 HB2 ARG A 71 6.539 -9.192 -15.311 1.00 0.00 H new ATOM 0 HB3 ARG A 71 7.330 -9.141 -13.748 1.00 0.00 H new ATOM 0 HG2 ARG A 71 5.443 -10.430 -12.760 1.00 0.00 H new ATOM 0 HG3 ARG A 71 4.670 -10.494 -14.331 1.00 0.00 H new ATOM 0 HD2 ARG A 71 5.854 -12.569 -14.018 1.00 0.00 H new ATOM 0 HD3 ARG A 71 6.705 -11.653 -15.245 1.00 0.00 H new ATOM 0 HE ARG A 71 7.885 -11.031 -12.722 1.00 0.00 H new ATOM 0 HH11 ARG A 71 7.589 -13.654 -15.066 1.00 0.00 H new ATOM 0 HH12 ARG A 71 9.070 -14.457 -14.533 1.00 0.00 H new ATOM 0 HH21 ARG A 71 9.775 -12.081 -12.017 1.00 0.00 H new ATOM 0 HH22 ARG A 71 10.305 -13.568 -12.810 1.00 0.00 H new ATOM 1140 N HIS A 72 3.184 -7.484 -13.961 1.00 0.00 N ATOM 1141 CA HIS A 72 1.865 -7.431 -14.581 1.00 0.00 C ATOM 1142 C HIS A 72 1.575 -6.014 -15.072 1.00 0.00 C ATOM 1143 O HIS A 72 0.680 -5.800 -15.886 1.00 0.00 O ATOM 1144 CB HIS A 72 0.794 -7.881 -13.580 1.00 0.00 C ATOM 1145 CG HIS A 72 -0.551 -8.210 -14.181 1.00 0.00 C ATOM 1146 ND1 HIS A 72 -0.804 -8.255 -15.540 1.00 0.00 N ATOM 1147 CD2 HIS A 72 -1.717 -8.546 -13.579 1.00 0.00 C ATOM 1148 CE1 HIS A 72 -2.065 -8.598 -15.739 1.00 0.00 C ATOM 1149 NE2 HIS A 72 -2.638 -8.780 -14.566 1.00 0.00 N ATOM 0 H HIS A 72 3.201 -7.211 -12.978 1.00 0.00 H new ATOM 0 HA HIS A 72 1.847 -8.107 -15.436 1.00 0.00 H new ATOM 0 HB2 HIS A 72 1.162 -8.760 -13.050 1.00 0.00 H new ATOM 0 HB3 HIS A 72 0.660 -7.094 -12.838 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -1.889 -8.617 -12.515 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -2.545 -8.710 -16.700 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -3.610 -9.051 -14.417 1.00 0.00 H new ATOM 1158 N LEU A 73 2.342 -5.052 -14.572 1.00 0.00 N ATOM 1159 CA LEU A 73 2.153 -3.652 -14.939 1.00 0.00 C ATOM 1160 C LEU A 73 3.431 -3.073 -15.527 1.00 0.00 C ATOM 1161 O LEU A 73 3.438 -2.549 -16.642 1.00 0.00 O ATOM 1162 CB LEU A 73 1.729 -2.805 -13.725 1.00 0.00 C ATOM 1163 CG LEU A 73 0.286 -2.985 -13.240 1.00 0.00 C ATOM 1164 CD1 LEU A 73 0.105 -4.308 -12.512 1.00 0.00 C ATOM 1165 CD2 LEU A 73 -0.114 -1.829 -12.337 1.00 0.00 C ATOM 0 H LEU A 73 3.101 -5.215 -13.911 1.00 0.00 H new ATOM 0 HA LEU A 73 1.360 -3.619 -15.686 1.00 0.00 H new ATOM 0 HB2 LEU A 73 2.399 -3.035 -12.897 1.00 0.00 H new ATOM 0 HB3 LEU A 73 1.878 -1.754 -13.973 1.00 0.00 H new ATOM 0 HG LEU A 73 -0.362 -2.994 -14.116 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -0.929 -4.403 -12.182 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.348 -5.130 -13.185 1.00 0.00 H new ATOM 0 HD13 LEU A 73 0.767 -4.340 -11.646 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -1.141 -1.969 -12.000 1.00 0.00 H new ATOM 0 HD22 LEU A 73 0.550 -1.795 -11.473 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -0.038 -0.893 -12.890 1.00 0.00 H new ATOM 1177 N ASN A 74 4.511 -3.174 -14.769 1.00 0.00 N ATOM 1178 CA ASN A 74 5.777 -2.581 -15.145 1.00 0.00 C ATOM 1179 C ASN A 74 6.903 -3.601 -15.062 1.00 0.00 C ATOM 1180 O ASN A 74 6.661 -4.780 -14.800 1.00 0.00 O ATOM 1181 CB ASN A 74 6.080 -1.394 -14.221 1.00 0.00 C ATOM 1182 CG ASN A 74 5.958 -1.714 -12.727 1.00 0.00 C ATOM 1183 OD1 ASN A 74 5.597 -0.851 -11.930 1.00 0.00 O ATOM 1184 ND2 ASN A 74 6.272 -2.939 -12.326 1.00 0.00 N ATOM 0 H ASN A 74 4.531 -3.669 -13.878 1.00 0.00 H new ATOM 0 HA ASN A 74 5.706 -2.236 -16.177 1.00 0.00 H new ATOM 0 HB2 ASN A 74 7.090 -1.039 -14.424 1.00 0.00 H new ATOM 0 HB3 ASN A 74 5.400 -0.577 -14.463 1.00 0.00 H new ATOM 0 HD21 ASN A 74 6.216 -3.182 -11.337 1.00 0.00 H new ATOM 0 HD22 ASN A 74 6.569 -3.638 -13.007 1.00 0.00 H new ATOM 1191 N LYS A 75 8.129 -3.144 -15.274 1.00 0.00 N ATOM 1192 CA LYS A 75 9.298 -3.966 -15.019 1.00 0.00 C ATOM 1193 C LYS A 75 9.651 -3.905 -13.538 1.00 0.00 C ATOM 1194 O LYS A 75 9.720 -4.934 -12.872 1.00 0.00 O ATOM 1195 CB LYS A 75 10.486 -3.519 -15.876 1.00 0.00 C ATOM 1196 CG LYS A 75 10.726 -4.403 -17.089 1.00 0.00 C ATOM 1197 CD LYS A 75 11.129 -5.807 -16.668 1.00 0.00 C ATOM 1198 CE LYS A 75 11.412 -6.695 -17.868 1.00 0.00 C ATOM 1199 NZ LYS A 75 11.886 -8.044 -17.458 1.00 0.00 N ATOM 0 H LYS A 75 8.338 -2.208 -15.622 1.00 0.00 H new ATOM 0 HA LYS A 75 9.066 -4.996 -15.290 1.00 0.00 H new ATOM 0 HB2 LYS A 75 10.318 -2.495 -16.210 1.00 0.00 H new ATOM 0 HB3 LYS A 75 11.385 -3.510 -15.260 1.00 0.00 H new ATOM 0 HG2 LYS A 75 9.822 -4.447 -17.696 1.00 0.00 H new ATOM 0 HG3 LYS A 75 11.507 -3.968 -17.712 1.00 0.00 H new ATOM 0 HD2 LYS A 75 12.015 -5.757 -16.036 1.00 0.00 H new ATOM 0 HD3 LYS A 75 10.334 -6.249 -16.068 1.00 0.00 H new ATOM 0 HE2 LYS A 75 10.507 -6.795 -18.468 1.00 0.00 H new ATOM 0 HE3 LYS A 75 12.163 -6.223 -18.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 12.068 -8.620 -18.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 12.763 -7.951 -16.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 11.158 -8.505 -16.875 1.00 0.00 H new ATOM 1213 N ALA A 76 9.861 -2.691 -13.032 1.00 0.00 N ATOM 1214 CA ALA A 76 10.092 -2.488 -11.605 1.00 0.00 C ATOM 1215 C ALA A 76 9.834 -1.036 -11.196 1.00 0.00 C ATOM 1216 O ALA A 76 10.705 -0.175 -11.323 1.00 0.00 O ATOM 1217 CB ALA A 76 11.505 -2.904 -11.220 1.00 0.00 C ATOM 0 H ALA A 76 9.876 -1.836 -13.588 1.00 0.00 H new ATOM 0 HA ALA A 76 9.385 -3.119 -11.067 1.00 0.00 H new ATOM 0 HB1 ALA A 76 11.653 -2.744 -10.152 1.00 0.00 H new ATOM 0 HB2 ALA A 76 11.650 -3.959 -11.452 1.00 0.00 H new ATOM 0 HB3 ALA A 76 12.225 -2.308 -11.780 1.00 0.00 H new ATOM 1223 N HIS A 77 8.617 -0.766 -10.743 1.00 0.00 N ATOM 1224 CA HIS A 77 8.264 0.535 -10.172 1.00 0.00 C ATOM 1225 C HIS A 77 7.377 0.315 -8.959 1.00 0.00 C ATOM 1226 O HIS A 77 7.709 0.727 -7.844 1.00 0.00 O ATOM 1227 CB HIS A 77 7.545 1.435 -11.188 1.00 0.00 C ATOM 1228 CG HIS A 77 8.406 1.886 -12.328 1.00 0.00 C ATOM 1229 ND1 HIS A 77 8.490 1.443 -13.602 1.00 0.00 N flip ATOM 1230 CD2 HIS A 77 9.317 2.914 -12.222 1.00 0.00 C flip ATOM 1231 CE1 HIS A 77 9.438 2.204 -14.234 1.00 0.00 C flip ATOM 1232 NE2 HIS A 77 9.921 3.085 -13.382 1.00 0.00 N flip ATOM 0 H HIS A 77 7.848 -1.436 -10.759 1.00 0.00 H new ATOM 0 HA HIS A 77 9.185 1.043 -9.885 1.00 0.00 H new ATOM 0 HB2 HIS A 77 6.685 0.897 -11.588 1.00 0.00 H new ATOM 0 HB3 HIS A 77 7.159 2.313 -10.670 1.00 0.00 H new ATOM 0 HD2 HIS A 77 9.507 3.490 -11.328 1.00 0.00 H new ATOM 0 HE1 HIS A 77 9.741 2.098 -15.265 1.00 0.00 H new ATOM 0 HE2 HIS A 77 10.639 3.780 -13.585 1.00 0.00 H new ATOM 1241 N TRP A 78 6.248 -0.341 -9.181 1.00 0.00 N ATOM 1242 CA TRP A 78 5.410 -0.800 -8.087 1.00 0.00 C ATOM 1243 C TRP A 78 5.966 -2.116 -7.561 1.00 0.00 C ATOM 1244 O TRP A 78 6.474 -2.929 -8.331 1.00 0.00 O ATOM 1245 CB TRP A 78 3.962 -0.990 -8.548 1.00 0.00 C ATOM 1246 CG TRP A 78 3.266 0.287 -8.918 1.00 0.00 C ATOM 1247 CD1 TRP A 78 3.194 0.855 -10.158 1.00 0.00 C ATOM 1248 CD2 TRP A 78 2.537 1.149 -8.035 1.00 0.00 C ATOM 1249 NE1 TRP A 78 2.465 2.018 -10.100 1.00 0.00 N ATOM 1250 CE2 TRP A 78 2.049 2.220 -8.810 1.00 0.00 C ATOM 1251 CE3 TRP A 78 2.245 1.120 -6.667 1.00 0.00 C ATOM 1252 CZ2 TRP A 78 1.291 3.250 -8.261 1.00 0.00 C ATOM 1253 CZ3 TRP A 78 1.491 2.143 -6.126 1.00 0.00 C ATOM 1254 CH2 TRP A 78 1.022 3.196 -6.922 1.00 0.00 C ATOM 0 H TRP A 78 5.892 -0.567 -10.110 1.00 0.00 H new ATOM 0 HA TRP A 78 5.414 -0.050 -7.296 1.00 0.00 H new ATOM 0 HB2 TRP A 78 3.950 -1.660 -9.408 1.00 0.00 H new ATOM 0 HB3 TRP A 78 3.400 -1.481 -7.753 1.00 0.00 H new ATOM 0 HD1 TRP A 78 3.644 0.450 -11.052 1.00 0.00 H new ATOM 0 HE1 TRP A 78 2.266 2.632 -10.890 1.00 0.00 H new ATOM 0 HE3 TRP A 78 2.603 0.312 -6.045 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 0.928 4.064 -8.872 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 1.259 2.131 -5.071 1.00 0.00 H new ATOM 0 HH2 TRP A 78 0.436 3.981 -6.468 1.00 0.00 H new ATOM 1265 N SER A 79 5.874 -2.334 -6.263 1.00 0.00 N ATOM 1266 CA SER A 79 6.456 -3.515 -5.656 1.00 0.00 C ATOM 1267 C SER A 79 5.406 -4.283 -4.868 1.00 0.00 C ATOM 1268 O SER A 79 4.697 -3.714 -4.044 1.00 0.00 O ATOM 1269 CB SER A 79 7.602 -3.104 -4.736 1.00 0.00 C ATOM 1270 OG SER A 79 8.489 -2.220 -5.402 1.00 0.00 O ATOM 0 H SER A 79 5.402 -1.709 -5.609 1.00 0.00 H new ATOM 0 HA SER A 79 6.838 -4.164 -6.444 1.00 0.00 H new ATOM 0 HB2 SER A 79 7.203 -2.622 -3.843 1.00 0.00 H new ATOM 0 HB3 SER A 79 8.144 -3.990 -4.405 1.00 0.00 H new ATOM 0 HG SER A 79 9.249 -2.017 -4.817 1.00 0.00 H new ATOM 1276 N THR A 80 5.312 -5.571 -5.136 1.00 0.00 N ATOM 1277 CA THR A 80 4.324 -6.414 -4.495 1.00 0.00 C ATOM 1278 C THR A 80 4.987 -7.354 -3.498 1.00 0.00 C ATOM 1279 O THR A 80 5.847 -8.156 -3.866 1.00 0.00 O ATOM 1280 CB THR A 80 3.546 -7.242 -5.537 1.00 0.00 C ATOM 1281 OG1 THR A 80 2.894 -6.370 -6.471 1.00 0.00 O ATOM 1282 CG2 THR A 80 2.510 -8.129 -4.869 1.00 0.00 C ATOM 0 H THR A 80 5.914 -6.059 -5.799 1.00 0.00 H new ATOM 0 HA THR A 80 3.627 -5.763 -3.968 1.00 0.00 H new ATOM 0 HB THR A 80 4.260 -7.876 -6.062 1.00 0.00 H new ATOM 0 HG1 THR A 80 2.403 -6.904 -7.130 1.00 0.00 H new ATOM 0 HG21 THR A 80 1.977 -8.701 -5.628 1.00 0.00 H new ATOM 0 HG22 THR A 80 3.006 -8.813 -4.181 1.00 0.00 H new ATOM 0 HG23 THR A 80 1.802 -7.510 -4.318 1.00 0.00 H new ATOM 1290 N VAL A 81 4.601 -7.236 -2.239 1.00 0.00 N ATOM 1291 CA VAL A 81 5.096 -8.127 -1.204 1.00 0.00 C ATOM 1292 C VAL A 81 3.973 -9.035 -0.718 1.00 0.00 C ATOM 1293 O VAL A 81 2.825 -8.603 -0.595 1.00 0.00 O ATOM 1294 CB VAL A 81 5.701 -7.353 -0.009 1.00 0.00 C ATOM 1295 CG1 VAL A 81 6.949 -6.602 -0.435 1.00 0.00 C ATOM 1296 CG2 VAL A 81 4.690 -6.386 0.590 1.00 0.00 C ATOM 0 H VAL A 81 3.944 -6.529 -1.908 1.00 0.00 H new ATOM 0 HA VAL A 81 5.892 -8.728 -1.643 1.00 0.00 H new ATOM 0 HB VAL A 81 5.971 -8.082 0.755 1.00 0.00 H new ATOM 0 HG11 VAL A 81 7.359 -6.064 0.420 1.00 0.00 H new ATOM 0 HG12 VAL A 81 7.690 -7.309 -0.808 1.00 0.00 H new ATOM 0 HG13 VAL A 81 6.696 -5.892 -1.223 1.00 0.00 H new ATOM 0 HG21 VAL A 81 5.145 -5.857 1.428 1.00 0.00 H new ATOM 0 HG22 VAL A 81 4.381 -5.667 -0.169 1.00 0.00 H new ATOM 0 HG23 VAL A 81 3.820 -6.941 0.941 1.00 0.00 H new ATOM 1306 N TYR A 82 4.304 -10.292 -0.473 1.00 0.00 N ATOM 1307 CA TYR A 82 3.323 -11.266 -0.015 1.00 0.00 C ATOM 1308 C TYR A 82 3.180 -11.185 1.495 1.00 0.00 C ATOM 1309 O TYR A 82 4.169 -11.248 2.213 1.00 0.00 O ATOM 1310 CB TYR A 82 3.740 -12.685 -0.414 1.00 0.00 C ATOM 1311 CG TYR A 82 3.950 -12.873 -1.901 1.00 0.00 C ATOM 1312 CD1 TYR A 82 2.886 -13.178 -2.743 1.00 0.00 C ATOM 1313 CD2 TYR A 82 5.217 -12.756 -2.462 1.00 0.00 C ATOM 1314 CE1 TYR A 82 3.080 -13.359 -4.101 1.00 0.00 C ATOM 1315 CE2 TYR A 82 5.418 -12.934 -3.817 1.00 0.00 C ATOM 1316 CZ TYR A 82 4.349 -13.236 -4.633 1.00 0.00 C ATOM 1317 OH TYR A 82 4.551 -13.418 -5.985 1.00 0.00 O ATOM 0 H TYR A 82 5.247 -10.664 -0.584 1.00 0.00 H new ATOM 0 HA TYR A 82 2.367 -11.037 -0.486 1.00 0.00 H new ATOM 0 HB2 TYR A 82 4.662 -12.941 0.107 1.00 0.00 H new ATOM 0 HB3 TYR A 82 2.977 -13.385 -0.074 1.00 0.00 H new ATOM 0 HD1 TYR A 82 1.893 -13.275 -2.330 1.00 0.00 H new ATOM 0 HD2 TYR A 82 6.059 -12.522 -1.827 1.00 0.00 H new ATOM 0 HE1 TYR A 82 2.243 -13.595 -4.742 1.00 0.00 H new ATOM 0 HE2 TYR A 82 6.409 -12.837 -4.235 1.00 0.00 H new ATOM 0 HH TYR A 82 5.501 -13.295 -6.193 1.00 0.00 H new ATOM 1327 N LEU A 83 1.949 -11.070 1.969 1.00 0.00 N ATOM 1328 CA LEU A 83 1.686 -10.937 3.400 1.00 0.00 C ATOM 1329 C LEU A 83 1.664 -12.305 4.076 1.00 0.00 C ATOM 1330 O LEU A 83 1.287 -12.429 5.240 1.00 0.00 O ATOM 1331 CB LEU A 83 0.357 -10.211 3.628 1.00 0.00 C ATOM 1332 CG LEU A 83 0.280 -8.801 3.043 1.00 0.00 C ATOM 1333 CD1 LEU A 83 -1.086 -8.193 3.307 1.00 0.00 C ATOM 1334 CD2 LEU A 83 1.378 -7.922 3.627 1.00 0.00 C ATOM 0 H LEU A 83 1.113 -11.066 1.385 1.00 0.00 H new ATOM 0 HA LEU A 83 2.490 -10.349 3.844 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -0.445 -10.810 3.198 1.00 0.00 H new ATOM 0 HB3 LEU A 83 0.172 -10.153 4.701 1.00 0.00 H new ATOM 0 HG LEU A 83 0.427 -8.864 1.965 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -1.125 -7.189 2.884 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -1.855 -8.812 2.845 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -1.260 -8.141 4.382 1.00 0.00 H new ATOM 0 HD21 LEU A 83 1.309 -6.922 3.200 1.00 0.00 H new ATOM 0 HD22 LEU A 83 1.260 -7.864 4.709 1.00 0.00 H new ATOM 0 HD23 LEU A 83 2.352 -8.351 3.391 1.00 0.00 H new ATOM 1346 N ASP A 84 2.077 -13.324 3.339 1.00 0.00 N ATOM 1347 CA ASP A 84 2.142 -14.679 3.859 1.00 0.00 C ATOM 1348 C ASP A 84 3.512 -15.268 3.569 1.00 0.00 C ATOM 1349 O ASP A 84 3.769 -15.778 2.478 1.00 0.00 O ATOM 1350 CB ASP A 84 1.040 -15.556 3.255 1.00 0.00 C ATOM 1351 CG ASP A 84 1.135 -17.006 3.699 1.00 0.00 C ATOM 1352 OD1 ASP A 84 0.829 -17.300 4.875 1.00 0.00 O ATOM 1353 OD2 ASP A 84 1.521 -17.862 2.872 1.00 0.00 O ATOM 0 H ASP A 84 2.375 -13.235 2.368 1.00 0.00 H new ATOM 0 HA ASP A 84 1.984 -14.648 4.937 1.00 0.00 H new ATOM 0 HB2 ASP A 84 0.067 -15.156 3.539 1.00 0.00 H new ATOM 0 HB3 ASP A 84 1.099 -15.509 2.168 1.00 0.00 H new ATOM 1358 N GLY A 85 4.405 -15.135 4.532 1.00 0.00 N ATOM 1359 CA GLY A 85 5.743 -15.667 4.382 1.00 0.00 C ATOM 1360 C GLY A 85 6.779 -14.566 4.326 1.00 0.00 C ATOM 1361 O GLY A 85 7.830 -14.652 4.965 1.00 0.00 O ATOM 0 H GLY A 85 4.228 -14.666 5.420 1.00 0.00 H new ATOM 0 HA2 GLY A 85 5.965 -16.334 5.215 1.00 0.00 H new ATOM 0 HA3 GLY A 85 5.797 -16.265 3.472 1.00 0.00 H new ATOM 1365 N SER A 86 6.474 -13.527 3.566 1.00 0.00 N ATOM 1366 CA SER A 86 7.350 -12.375 3.453 1.00 0.00 C ATOM 1367 C SER A 86 6.908 -11.289 4.422 1.00 0.00 C ATOM 1368 O SER A 86 5.731 -10.932 4.455 1.00 0.00 O ATOM 1369 CB SER A 86 7.337 -11.843 2.020 1.00 0.00 C ATOM 1370 OG SER A 86 7.671 -12.862 1.088 1.00 0.00 O ATOM 0 H SER A 86 5.619 -13.459 3.014 1.00 0.00 H new ATOM 0 HA SER A 86 8.367 -12.677 3.704 1.00 0.00 H new ATOM 0 HB2 SER A 86 6.350 -11.444 1.787 1.00 0.00 H new ATOM 0 HB3 SER A 86 8.044 -11.018 1.929 1.00 0.00 H new ATOM 0 HG SER A 86 7.499 -12.542 0.178 1.00 0.00 H new ATOM 1376 N LEU A 87 7.855 -10.779 5.211 1.00 0.00 N ATOM 1377 CA LEU A 87 7.592 -9.727 6.191 1.00 0.00 C ATOM 1378 C LEU A 87 6.650 -10.203 7.306 1.00 0.00 C ATOM 1379 O LEU A 87 5.567 -10.726 7.052 1.00 0.00 O ATOM 1380 CB LEU A 87 7.016 -8.487 5.501 1.00 0.00 C ATOM 1381 CG LEU A 87 7.873 -7.912 4.370 1.00 0.00 C ATOM 1382 CD1 LEU A 87 7.157 -6.753 3.696 1.00 0.00 C ATOM 1383 CD2 LEU A 87 9.228 -7.468 4.899 1.00 0.00 C ATOM 0 H LEU A 87 8.828 -11.085 5.187 1.00 0.00 H new ATOM 0 HA LEU A 87 8.544 -9.468 6.655 1.00 0.00 H new ATOM 0 HB2 LEU A 87 6.034 -8.738 5.100 1.00 0.00 H new ATOM 0 HB3 LEU A 87 6.865 -7.711 6.251 1.00 0.00 H new ATOM 0 HG LEU A 87 8.034 -8.695 3.629 1.00 0.00 H new ATOM 0 HD11 LEU A 87 7.781 -6.357 2.895 1.00 0.00 H new ATOM 0 HD12 LEU A 87 6.211 -7.101 3.281 1.00 0.00 H new ATOM 0 HD13 LEU A 87 6.965 -5.969 4.428 1.00 0.00 H new ATOM 0 HD21 LEU A 87 9.823 -7.062 4.081 1.00 0.00 H new ATOM 0 HD22 LEU A 87 9.088 -6.701 5.661 1.00 0.00 H new ATOM 0 HD23 LEU A 87 9.746 -8.322 5.335 1.00 0.00 H new ATOM 1395 N PRO A 88 7.064 -10.036 8.570 1.00 0.00 N ATOM 1396 CA PRO A 88 6.227 -10.370 9.726 1.00 0.00 C ATOM 1397 C PRO A 88 4.990 -9.479 9.797 1.00 0.00 C ATOM 1398 O PRO A 88 4.950 -8.407 9.187 1.00 0.00 O ATOM 1399 CB PRO A 88 7.148 -10.124 10.931 1.00 0.00 C ATOM 1400 CG PRO A 88 8.525 -10.077 10.365 1.00 0.00 C ATOM 1401 CD PRO A 88 8.376 -9.524 8.978 1.00 0.00 C ATOM 0 HA PRO A 88 5.849 -11.391 9.682 1.00 0.00 H new ATOM 0 HB2 PRO A 88 6.897 -9.191 11.435 1.00 0.00 H new ATOM 0 HB3 PRO A 88 7.052 -10.920 11.669 1.00 0.00 H new ATOM 0 HG2 PRO A 88 9.176 -9.446 10.970 1.00 0.00 H new ATOM 0 HG3 PRO A 88 8.974 -11.070 10.344 1.00 0.00 H new ATOM 0 HD2 PRO A 88 8.406 -8.434 8.970 1.00 0.00 H new ATOM 0 HD3 PRO A 88 9.170 -9.870 8.316 1.00 0.00 H new ATOM 1409 N ASP A 89 3.989 -9.913 10.553 1.00 0.00 N ATOM 1410 CA ASP A 89 2.717 -9.195 10.629 1.00 0.00 C ATOM 1411 C ASP A 89 2.891 -7.814 11.262 1.00 0.00 C ATOM 1412 O ASP A 89 2.062 -6.930 11.065 1.00 0.00 O ATOM 1413 CB ASP A 89 1.663 -10.012 11.393 1.00 0.00 C ATOM 1414 CG ASP A 89 2.035 -10.275 12.838 1.00 0.00 C ATOM 1415 OD1 ASP A 89 2.920 -11.127 13.081 1.00 0.00 O ATOM 1416 OD2 ASP A 89 1.430 -9.654 13.737 1.00 0.00 O ATOM 0 H ASP A 89 4.031 -10.758 11.123 1.00 0.00 H new ATOM 0 HA ASP A 89 2.363 -9.053 9.608 1.00 0.00 H new ATOM 0 HB2 ASP A 89 0.711 -9.482 11.362 1.00 0.00 H new ATOM 0 HB3 ASP A 89 1.515 -10.965 10.885 1.00 0.00 H new ATOM 1421 N SER A 90 3.981 -7.626 11.997 1.00 0.00 N ATOM 1422 CA SER A 90 4.294 -6.332 12.588 1.00 0.00 C ATOM 1423 C SER A 90 4.701 -5.333 11.500 1.00 0.00 C ATOM 1424 O SER A 90 4.376 -4.147 11.572 1.00 0.00 O ATOM 1425 CB SER A 90 5.420 -6.494 13.616 1.00 0.00 C ATOM 1426 OG SER A 90 5.613 -5.312 14.375 1.00 0.00 O ATOM 0 H SER A 90 4.664 -8.356 12.198 1.00 0.00 H new ATOM 0 HA SER A 90 3.407 -5.946 13.091 1.00 0.00 H new ATOM 0 HB2 SER A 90 5.185 -7.322 14.285 1.00 0.00 H new ATOM 0 HB3 SER A 90 6.346 -6.752 13.103 1.00 0.00 H new ATOM 0 HG SER A 90 6.337 -5.452 15.021 1.00 0.00 H new ATOM 1432 N GLN A 91 5.386 -5.829 10.477 1.00 0.00 N ATOM 1433 CA GLN A 91 5.858 -4.986 9.383 1.00 0.00 C ATOM 1434 C GLN A 91 4.687 -4.507 8.525 1.00 0.00 C ATOM 1435 O GLN A 91 4.731 -3.422 7.943 1.00 0.00 O ATOM 1436 CB GLN A 91 6.877 -5.744 8.525 1.00 0.00 C ATOM 1437 CG GLN A 91 7.464 -4.926 7.380 1.00 0.00 C ATOM 1438 CD GLN A 91 8.323 -3.761 7.844 1.00 0.00 C ATOM 1439 OE1 GLN A 91 8.108 -3.185 8.910 1.00 0.00 O ATOM 1440 NE2 GLN A 91 9.307 -3.402 7.036 1.00 0.00 N ATOM 0 H GLN A 91 5.628 -6.815 10.381 1.00 0.00 H new ATOM 0 HA GLN A 91 6.347 -4.111 9.811 1.00 0.00 H new ATOM 0 HB2 GLN A 91 7.690 -6.087 9.165 1.00 0.00 H new ATOM 0 HB3 GLN A 91 6.399 -6.633 8.113 1.00 0.00 H new ATOM 0 HG2 GLN A 91 8.064 -5.580 6.747 1.00 0.00 H new ATOM 0 HG3 GLN A 91 6.651 -4.544 6.763 1.00 0.00 H new ATOM 0 HE21 GLN A 91 9.456 -3.903 6.160 1.00 0.00 H new ATOM 0 HE22 GLN A 91 9.917 -2.625 7.289 1.00 0.00 H new ATOM 1449 N ILE A 92 3.642 -5.328 8.449 1.00 0.00 N ATOM 1450 CA ILE A 92 2.456 -5.009 7.652 1.00 0.00 C ATOM 1451 C ILE A 92 1.870 -3.648 8.047 1.00 0.00 C ATOM 1452 O ILE A 92 1.422 -2.885 7.187 1.00 0.00 O ATOM 1453 CB ILE A 92 1.374 -6.102 7.799 1.00 0.00 C ATOM 1454 CG1 ILE A 92 1.944 -7.463 7.385 1.00 0.00 C ATOM 1455 CG2 ILE A 92 0.151 -5.758 6.957 1.00 0.00 C ATOM 1456 CD1 ILE A 92 0.971 -8.610 7.561 1.00 0.00 C ATOM 0 H ILE A 92 3.591 -6.225 8.932 1.00 0.00 H new ATOM 0 HA ILE A 92 2.772 -4.965 6.610 1.00 0.00 H new ATOM 0 HB ILE A 92 1.067 -6.153 8.844 1.00 0.00 H new ATOM 0 HG12 ILE A 92 2.251 -7.416 6.340 1.00 0.00 H new ATOM 0 HG13 ILE A 92 2.840 -7.665 7.972 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -0.601 -6.538 7.072 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -0.262 -4.805 7.287 1.00 0.00 H new ATOM 0 HG23 ILE A 92 0.440 -5.685 5.909 1.00 0.00 H new ATOM 0 HD11 ILE A 92 1.445 -9.540 7.248 1.00 0.00 H new ATOM 0 HD12 ILE A 92 0.683 -8.685 8.609 1.00 0.00 H new ATOM 0 HD13 ILE A 92 0.084 -8.432 6.953 1.00 0.00 H new ATOM 1468 N TYR A 93 1.899 -3.341 9.344 1.00 0.00 N ATOM 1469 CA TYR A 93 1.411 -2.050 9.836 1.00 0.00 C ATOM 1470 C TYR A 93 2.204 -0.910 9.208 1.00 0.00 C ATOM 1471 O TYR A 93 1.633 0.078 8.740 1.00 0.00 O ATOM 1472 CB TYR A 93 1.519 -1.970 11.363 1.00 0.00 C ATOM 1473 CG TYR A 93 0.724 -3.029 12.093 1.00 0.00 C ATOM 1474 CD1 TYR A 93 -0.657 -2.939 12.207 1.00 0.00 C ATOM 1475 CD2 TYR A 93 1.360 -4.115 12.676 1.00 0.00 C ATOM 1476 CE1 TYR A 93 -1.383 -3.904 12.881 1.00 0.00 C ATOM 1477 CE2 TYR A 93 0.646 -5.083 13.353 1.00 0.00 C ATOM 1478 CZ TYR A 93 -0.725 -4.975 13.453 1.00 0.00 C ATOM 1479 OH TYR A 93 -1.438 -5.940 14.133 1.00 0.00 O ATOM 0 H TYR A 93 2.253 -3.964 10.070 1.00 0.00 H new ATOM 0 HA TYR A 93 0.362 -1.958 9.554 1.00 0.00 H new ATOM 0 HB2 TYR A 93 2.568 -2.057 11.648 1.00 0.00 H new ATOM 0 HB3 TYR A 93 1.181 -0.987 11.690 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -1.173 -2.101 11.762 1.00 0.00 H new ATOM 0 HD2 TYR A 93 2.433 -4.205 12.599 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -2.457 -3.821 12.959 1.00 0.00 H new ATOM 0 HE2 TYR A 93 1.159 -5.921 13.802 1.00 0.00 H new ATOM 0 HH TYR A 93 -0.823 -6.623 14.472 1.00 0.00 H new ATOM 1489 N TYR A 94 3.523 -1.075 9.188 1.00 0.00 N ATOM 1490 CA TYR A 94 4.424 -0.098 8.587 1.00 0.00 C ATOM 1491 C TYR A 94 4.097 0.111 7.113 1.00 0.00 C ATOM 1492 O TYR A 94 4.039 1.244 6.643 1.00 0.00 O ATOM 1493 CB TYR A 94 5.882 -0.562 8.750 1.00 0.00 C ATOM 1494 CG TYR A 94 6.877 0.181 7.885 1.00 0.00 C ATOM 1495 CD1 TYR A 94 7.432 1.386 8.299 1.00 0.00 C ATOM 1496 CD2 TYR A 94 7.262 -0.327 6.650 1.00 0.00 C ATOM 1497 CE1 TYR A 94 8.339 2.062 7.503 1.00 0.00 C ATOM 1498 CE2 TYR A 94 8.166 0.342 5.851 1.00 0.00 C ATOM 1499 CZ TYR A 94 8.703 1.535 6.279 1.00 0.00 C ATOM 1500 OH TYR A 94 9.605 2.204 5.478 1.00 0.00 O ATOM 0 H TYR A 94 3.996 -1.886 9.586 1.00 0.00 H new ATOM 0 HA TYR A 94 4.292 0.855 9.100 1.00 0.00 H new ATOM 0 HB2 TYR A 94 6.172 -0.448 9.795 1.00 0.00 H new ATOM 0 HB3 TYR A 94 5.940 -1.625 8.517 1.00 0.00 H new ATOM 0 HD1 TYR A 94 7.151 1.801 9.256 1.00 0.00 H new ATOM 0 HD2 TYR A 94 6.846 -1.263 6.309 1.00 0.00 H new ATOM 0 HE1 TYR A 94 8.761 2.998 7.837 1.00 0.00 H new ATOM 0 HE2 TYR A 94 8.451 -0.069 4.894 1.00 0.00 H new ATOM 0 HH TYR A 94 10.369 2.495 6.018 1.00 0.00 H new ATOM 1510 N LEU A 95 3.866 -0.987 6.402 1.00 0.00 N ATOM 1511 CA LEU A 95 3.603 -0.942 4.964 1.00 0.00 C ATOM 1512 C LEU A 95 2.415 -0.037 4.643 1.00 0.00 C ATOM 1513 O LEU A 95 2.442 0.721 3.672 1.00 0.00 O ATOM 1514 CB LEU A 95 3.338 -2.354 4.431 1.00 0.00 C ATOM 1515 CG LEU A 95 4.473 -3.359 4.647 1.00 0.00 C ATOM 1516 CD1 LEU A 95 4.064 -4.734 4.143 1.00 0.00 C ATOM 1517 CD2 LEU A 95 5.742 -2.887 3.951 1.00 0.00 C ATOM 0 H LEU A 95 3.855 -1.926 6.799 1.00 0.00 H new ATOM 0 HA LEU A 95 4.486 -0.530 4.477 1.00 0.00 H new ATOM 0 HB2 LEU A 95 2.437 -2.741 4.907 1.00 0.00 H new ATOM 0 HB3 LEU A 95 3.131 -2.288 3.363 1.00 0.00 H new ATOM 0 HG LEU A 95 4.676 -3.430 5.716 1.00 0.00 H new ATOM 0 HD11 LEU A 95 4.881 -5.438 4.303 1.00 0.00 H new ATOM 0 HD12 LEU A 95 3.181 -5.073 4.686 1.00 0.00 H new ATOM 0 HD13 LEU A 95 3.836 -4.678 3.078 1.00 0.00 H new ATOM 0 HD21 LEU A 95 6.538 -3.613 4.115 1.00 0.00 H new ATOM 0 HD22 LEU A 95 5.555 -2.788 2.882 1.00 0.00 H new ATOM 0 HD23 LEU A 95 6.042 -1.921 4.358 1.00 0.00 H new ATOM 1529 N VAL A 96 1.383 -0.112 5.468 1.00 0.00 N ATOM 1530 CA VAL A 96 0.181 0.680 5.255 1.00 0.00 C ATOM 1531 C VAL A 96 0.399 2.128 5.688 1.00 0.00 C ATOM 1532 O VAL A 96 0.131 3.064 4.929 1.00 0.00 O ATOM 1533 CB VAL A 96 -1.025 0.090 6.022 1.00 0.00 C ATOM 1534 CG1 VAL A 96 -2.284 0.906 5.761 1.00 0.00 C ATOM 1535 CG2 VAL A 96 -1.241 -1.368 5.640 1.00 0.00 C ATOM 0 H VAL A 96 1.353 -0.713 6.292 1.00 0.00 H new ATOM 0 HA VAL A 96 -0.037 0.654 4.187 1.00 0.00 H new ATOM 0 HB VAL A 96 -0.806 0.137 7.089 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -3.119 0.472 6.311 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -2.127 1.933 6.091 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -2.508 0.898 4.694 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -2.094 -1.766 6.190 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -1.434 -1.439 4.570 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -0.349 -1.945 5.887 1.00 0.00 H new ATOM 1545 N ASP A 97 0.915 2.304 6.899 1.00 0.00 N ATOM 1546 CA ASP A 97 1.045 3.634 7.484 1.00 0.00 C ATOM 1547 C ASP A 97 2.095 4.479 6.778 1.00 0.00 C ATOM 1548 O ASP A 97 1.867 5.660 6.530 1.00 0.00 O ATOM 1549 CB ASP A 97 1.362 3.546 8.975 1.00 0.00 C ATOM 1550 CG ASP A 97 0.206 4.025 9.825 1.00 0.00 C ATOM 1551 OD1 ASP A 97 0.019 5.255 9.950 1.00 0.00 O ATOM 1552 OD2 ASP A 97 -0.534 3.177 10.362 1.00 0.00 O ATOM 0 H ASP A 97 1.249 1.546 7.493 1.00 0.00 H new ATOM 0 HA ASP A 97 0.082 4.127 7.351 1.00 0.00 H new ATOM 0 HB2 ASP A 97 1.602 2.515 9.235 1.00 0.00 H new ATOM 0 HB3 ASP A 97 2.247 4.144 9.194 1.00 0.00 H new ATOM 1557 N ALA A 98 3.232 3.882 6.440 1.00 0.00 N ATOM 1558 CA ALA A 98 4.312 4.619 5.782 1.00 0.00 C ATOM 1559 C ALA A 98 3.840 5.202 4.455 1.00 0.00 C ATOM 1560 O ALA A 98 4.147 6.349 4.122 1.00 0.00 O ATOM 1561 CB ALA A 98 5.522 3.726 5.565 1.00 0.00 C ATOM 0 H ALA A 98 3.432 2.896 6.608 1.00 0.00 H new ATOM 0 HA ALA A 98 4.603 5.441 6.436 1.00 0.00 H new ATOM 0 HB1 ALA A 98 6.311 4.296 5.075 1.00 0.00 H new ATOM 0 HB2 ALA A 98 5.882 3.361 6.527 1.00 0.00 H new ATOM 0 HB3 ALA A 98 5.242 2.880 4.938 1.00 0.00 H new ATOM 1567 N SER A 99 3.083 4.409 3.714 1.00 0.00 N ATOM 1568 CA SER A 99 2.524 4.846 2.446 1.00 0.00 C ATOM 1569 C SER A 99 1.526 5.984 2.670 1.00 0.00 C ATOM 1570 O SER A 99 1.508 6.971 1.930 1.00 0.00 O ATOM 1571 CB SER A 99 1.850 3.663 1.749 1.00 0.00 C ATOM 1572 OG SER A 99 2.744 2.569 1.638 1.00 0.00 O ATOM 0 H SER A 99 2.841 3.452 3.972 1.00 0.00 H new ATOM 0 HA SER A 99 3.325 5.220 1.809 1.00 0.00 H new ATOM 0 HB2 SER A 99 0.966 3.360 2.310 1.00 0.00 H new ATOM 0 HB3 SER A 99 1.511 3.964 0.758 1.00 0.00 H new ATOM 0 HG SER A 99 2.596 1.948 2.382 1.00 0.00 H new ATOM 1578 N TYR A 100 0.720 5.850 3.718 1.00 0.00 N ATOM 1579 CA TYR A 100 -0.272 6.860 4.064 1.00 0.00 C ATOM 1580 C TYR A 100 0.397 8.163 4.506 1.00 0.00 C ATOM 1581 O TYR A 100 -0.026 9.248 4.108 1.00 0.00 O ATOM 1582 CB TYR A 100 -1.201 6.326 5.161 1.00 0.00 C ATOM 1583 CG TYR A 100 -2.181 7.349 5.694 1.00 0.00 C ATOM 1584 CD1 TYR A 100 -3.188 7.866 4.888 1.00 0.00 C ATOM 1585 CD2 TYR A 100 -2.094 7.797 7.004 1.00 0.00 C ATOM 1586 CE1 TYR A 100 -4.081 8.804 5.377 1.00 0.00 C ATOM 1587 CE2 TYR A 100 -2.982 8.734 7.498 1.00 0.00 C ATOM 1588 CZ TYR A 100 -3.973 9.232 6.682 1.00 0.00 C ATOM 1589 OH TYR A 100 -4.850 10.172 7.172 1.00 0.00 O ATOM 0 H TYR A 100 0.735 5.046 4.346 1.00 0.00 H new ATOM 0 HA TYR A 100 -0.865 7.080 3.176 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -1.758 5.476 4.768 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -0.594 5.955 5.987 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -3.275 7.531 3.865 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -1.320 7.407 7.648 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -4.858 9.198 4.739 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -2.899 9.074 8.520 1.00 0.00 H new ATOM 0 HH TYR A 100 -5.747 9.999 6.817 1.00 0.00 H new ATOM 1599 N GLN A 101 1.445 8.052 5.316 1.00 0.00 N ATOM 1600 CA GLN A 101 2.172 9.224 5.798 1.00 0.00 C ATOM 1601 C GLN A 101 2.722 10.044 4.636 1.00 0.00 C ATOM 1602 O GLN A 101 2.626 11.274 4.635 1.00 0.00 O ATOM 1603 CB GLN A 101 3.313 8.810 6.725 1.00 0.00 C ATOM 1604 CG GLN A 101 2.855 8.211 8.049 1.00 0.00 C ATOM 1605 CD GLN A 101 1.986 9.156 8.856 1.00 0.00 C ATOM 1606 OE1 GLN A 101 2.488 9.966 9.635 1.00 0.00 O ATOM 1607 NE2 GLN A 101 0.679 9.042 8.695 1.00 0.00 N ATOM 0 H GLN A 101 1.811 7.162 5.653 1.00 0.00 H new ATOM 0 HA GLN A 101 1.469 9.841 6.357 1.00 0.00 H new ATOM 0 HB2 GLN A 101 3.941 8.084 6.208 1.00 0.00 H new ATOM 0 HB3 GLN A 101 3.935 9.682 6.929 1.00 0.00 H new ATOM 0 HG2 GLN A 101 2.301 7.293 7.854 1.00 0.00 H new ATOM 0 HG3 GLN A 101 3.729 7.936 8.639 1.00 0.00 H new ATOM 0 HE21 GLN A 101 0.304 8.357 8.039 1.00 0.00 H new ATOM 0 HE22 GLN A 101 0.046 9.639 9.227 1.00 0.00 H new ATOM 1616 N GLN A 102 3.294 9.361 3.649 1.00 0.00 N ATOM 1617 CA GLN A 102 3.812 10.034 2.461 1.00 0.00 C ATOM 1618 C GLN A 102 2.684 10.737 1.717 1.00 0.00 C ATOM 1619 O GLN A 102 2.829 11.879 1.283 1.00 0.00 O ATOM 1620 CB GLN A 102 4.512 9.044 1.525 1.00 0.00 C ATOM 1621 CG GLN A 102 5.718 8.356 2.141 1.00 0.00 C ATOM 1622 CD GLN A 102 6.530 7.582 1.119 1.00 0.00 C ATOM 1623 OE1 GLN A 102 7.462 8.117 0.517 1.00 0.00 O ATOM 1624 NE2 GLN A 102 6.183 6.319 0.913 1.00 0.00 N ATOM 0 H GLN A 102 3.411 8.348 3.647 1.00 0.00 H new ATOM 0 HA GLN A 102 4.543 10.773 2.789 1.00 0.00 H new ATOM 0 HB2 GLN A 102 3.794 8.285 1.213 1.00 0.00 H new ATOM 0 HB3 GLN A 102 4.828 9.572 0.626 1.00 0.00 H new ATOM 0 HG2 GLN A 102 6.355 9.102 2.616 1.00 0.00 H new ATOM 0 HG3 GLN A 102 5.384 7.676 2.925 1.00 0.00 H new ATOM 0 HE21 GLN A 102 5.405 5.913 1.432 1.00 0.00 H new ATOM 0 HE22 GLN A 102 6.694 5.754 0.235 1.00 0.00 H new ATOM 1633 N ALA A 103 1.549 10.055 1.599 1.00 0.00 N ATOM 1634 CA ALA A 103 0.390 10.598 0.899 1.00 0.00 C ATOM 1635 C ALA A 103 -0.108 11.886 1.556 1.00 0.00 C ATOM 1636 O ALA A 103 -0.435 12.848 0.868 1.00 0.00 O ATOM 1637 CB ALA A 103 -0.723 9.563 0.841 1.00 0.00 C ATOM 0 H ALA A 103 1.407 9.120 1.981 1.00 0.00 H new ATOM 0 HA ALA A 103 0.697 10.844 -0.118 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -1.582 9.981 0.316 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -0.370 8.678 0.312 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -1.016 9.287 1.854 1.00 0.00 H new ATOM 1643 N VAL A 104 -0.146 11.903 2.886 1.00 0.00 N ATOM 1644 CA VAL A 104 -0.603 13.077 3.630 1.00 0.00 C ATOM 1645 C VAL A 104 0.268 14.296 3.327 1.00 0.00 C ATOM 1646 O VAL A 104 -0.224 15.420 3.235 1.00 0.00 O ATOM 1647 CB VAL A 104 -0.607 12.816 5.153 1.00 0.00 C ATOM 1648 CG1 VAL A 104 -1.048 14.054 5.920 1.00 0.00 C ATOM 1649 CG2 VAL A 104 -1.508 11.639 5.488 1.00 0.00 C ATOM 0 H VAL A 104 0.134 11.117 3.472 1.00 0.00 H new ATOM 0 HA VAL A 104 -1.624 13.279 3.306 1.00 0.00 H new ATOM 0 HB VAL A 104 0.412 12.575 5.455 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -1.041 13.841 6.989 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -0.363 14.876 5.709 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -2.056 14.333 5.612 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -1.499 11.469 6.565 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -2.526 11.856 5.163 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -1.146 10.747 4.977 1.00 0.00 H new ATOM 1659 N ASN A 105 1.562 14.062 3.150 1.00 0.00 N ATOM 1660 CA ASN A 105 2.502 15.145 2.873 1.00 0.00 C ATOM 1661 C ASN A 105 2.403 15.602 1.423 1.00 0.00 C ATOM 1662 O ASN A 105 2.881 16.681 1.066 1.00 0.00 O ATOM 1663 CB ASN A 105 3.935 14.715 3.193 1.00 0.00 C ATOM 1664 CG ASN A 105 4.230 14.730 4.683 1.00 0.00 C ATOM 1665 OD1 ASN A 105 4.658 15.749 5.228 1.00 0.00 O ATOM 1666 ND2 ASN A 105 4.008 13.608 5.355 1.00 0.00 N ATOM 0 H ASN A 105 1.986 13.135 3.193 1.00 0.00 H new ATOM 0 HA ASN A 105 2.237 15.985 3.516 1.00 0.00 H new ATOM 0 HB2 ASN A 105 4.105 13.712 2.803 1.00 0.00 H new ATOM 0 HB3 ASN A 105 4.632 15.378 2.682 1.00 0.00 H new ATOM 0 HD21 ASN A 105 4.192 13.569 6.357 1.00 0.00 H new ATOM 0 HD22 ASN A 105 3.653 12.784 4.869 1.00 0.00 H new ATOM 1673 N LEU A 106 1.789 14.775 0.591 1.00 0.00 N ATOM 1674 CA LEU A 106 1.576 15.111 -0.809 1.00 0.00 C ATOM 1675 C LEU A 106 0.220 15.785 -0.992 1.00 0.00 C ATOM 1676 O LEU A 106 -0.044 16.412 -2.020 1.00 0.00 O ATOM 1677 CB LEU A 106 1.663 13.854 -1.680 1.00 0.00 C ATOM 1678 CG LEU A 106 3.012 13.130 -1.656 1.00 0.00 C ATOM 1679 CD1 LEU A 106 2.955 11.875 -2.514 1.00 0.00 C ATOM 1680 CD2 LEU A 106 4.122 14.053 -2.136 1.00 0.00 C ATOM 0 H LEU A 106 1.427 13.861 0.863 1.00 0.00 H new ATOM 0 HA LEU A 106 2.357 15.805 -1.120 1.00 0.00 H new ATOM 0 HB2 LEU A 106 0.890 13.156 -1.359 1.00 0.00 H new ATOM 0 HB3 LEU A 106 1.436 14.130 -2.710 1.00 0.00 H new ATOM 0 HG LEU A 106 3.229 12.838 -0.629 1.00 0.00 H new ATOM 0 HD11 LEU A 106 3.921 11.371 -2.487 1.00 0.00 H new ATOM 0 HD12 LEU A 106 2.186 11.205 -2.129 1.00 0.00 H new ATOM 0 HD13 LEU A 106 2.717 12.148 -3.542 1.00 0.00 H new ATOM 0 HD21 LEU A 106 5.073 13.521 -2.112 1.00 0.00 H new ATOM 0 HD22 LEU A 106 3.912 14.375 -3.156 1.00 0.00 H new ATOM 0 HD23 LEU A 106 4.177 14.925 -1.484 1.00 0.00 H new ATOM 1692 N LEU A 107 -0.634 15.651 0.014 1.00 0.00 N ATOM 1693 CA LEU A 107 -1.952 16.266 -0.013 1.00 0.00 C ATOM 1694 C LEU A 107 -1.846 17.763 0.236 1.00 0.00 C ATOM 1695 O LEU A 107 -1.103 18.203 1.117 1.00 0.00 O ATOM 1696 CB LEU A 107 -2.870 15.623 1.031 1.00 0.00 C ATOM 1697 CG LEU A 107 -3.222 14.157 0.777 1.00 0.00 C ATOM 1698 CD1 LEU A 107 -4.078 13.614 1.910 1.00 0.00 C ATOM 1699 CD2 LEU A 107 -3.939 14.004 -0.556 1.00 0.00 C ATOM 0 H LEU A 107 -0.435 15.119 0.862 1.00 0.00 H new ATOM 0 HA LEU A 107 -2.383 16.104 -1.001 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -2.393 15.701 2.008 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -3.795 16.198 1.081 1.00 0.00 H new ATOM 0 HG LEU A 107 -2.298 13.581 0.737 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -4.320 12.569 1.715 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -3.530 13.690 2.849 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -4.999 14.193 1.980 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -4.182 12.954 -0.720 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -4.857 14.591 -0.545 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -3.292 14.357 -1.360 1.00 0.00 H new ATOM 1711 N PRO A 108 -2.574 18.567 -0.550 1.00 0.00 N ATOM 1712 CA PRO A 108 -2.578 20.025 -0.413 1.00 0.00 C ATOM 1713 C PRO A 108 -3.238 20.495 0.887 1.00 0.00 C ATOM 1714 O PRO A 108 -3.895 19.715 1.585 1.00 0.00 O ATOM 1715 CB PRO A 108 -3.386 20.508 -1.627 1.00 0.00 C ATOM 1716 CG PRO A 108 -3.471 19.335 -2.542 1.00 0.00 C ATOM 1717 CD PRO A 108 -3.427 18.125 -1.659 1.00 0.00 C ATOM 0 HA PRO A 108 -1.564 20.423 -0.376 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -4.379 20.845 -1.329 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -2.896 21.351 -2.114 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -4.391 19.360 -3.126 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -2.644 19.332 -3.252 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -4.421 17.838 -1.316 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -3.006 17.262 -2.175 1.00 0.00 H new ATOM 1725 N GLU A 109 -3.054 21.780 1.182 1.00 0.00 N ATOM 1726 CA GLU A 109 -3.571 22.410 2.398 1.00 0.00 C ATOM 1727 C GLU A 109 -5.049 22.089 2.623 1.00 0.00 C ATOM 1728 O GLU A 109 -5.432 21.614 3.691 1.00 0.00 O ATOM 1729 CB GLU A 109 -3.392 23.927 2.295 1.00 0.00 C ATOM 1730 CG GLU A 109 -3.689 24.679 3.581 1.00 0.00 C ATOM 1731 CD GLU A 109 -2.629 24.470 4.646 1.00 0.00 C ATOM 1732 OE1 GLU A 109 -1.632 25.221 4.644 1.00 0.00 O ATOM 1733 OE2 GLU A 109 -2.800 23.575 5.498 1.00 0.00 O ATOM 0 H GLU A 109 -2.537 22.420 0.579 1.00 0.00 H new ATOM 0 HA GLU A 109 -3.011 22.014 3.245 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -2.367 24.141 1.991 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -4.044 24.306 1.507 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -3.772 25.744 3.362 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -4.655 24.357 3.969 1.00 0.00 H new ATOM 1740 N GLU A 110 -5.862 22.337 1.598 1.00 0.00 N ATOM 1741 CA GLU A 110 -7.312 22.159 1.673 1.00 0.00 C ATOM 1742 C GLU A 110 -7.676 20.762 2.174 1.00 0.00 C ATOM 1743 O GLU A 110 -8.563 20.601 3.016 1.00 0.00 O ATOM 1744 CB GLU A 110 -7.913 22.411 0.287 1.00 0.00 C ATOM 1745 CG GLU A 110 -9.425 22.591 0.255 1.00 0.00 C ATOM 1746 CD GLU A 110 -10.195 21.290 0.110 1.00 0.00 C ATOM 1747 OE1 GLU A 110 -9.965 20.564 -0.878 1.00 0.00 O ATOM 1748 OE2 GLU A 110 -11.057 21.005 0.967 1.00 0.00 O ATOM 0 H GLU A 110 -5.534 22.668 0.690 1.00 0.00 H new ATOM 0 HA GLU A 110 -7.722 22.873 2.387 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -7.449 23.302 -0.135 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -7.649 21.576 -0.362 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -9.742 23.089 1.171 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -9.685 23.251 -0.573 1.00 0.00 H new ATOM 1755 N LYS A 111 -6.961 19.765 1.676 1.00 0.00 N ATOM 1756 CA LYS A 111 -7.221 18.376 2.029 1.00 0.00 C ATOM 1757 C LYS A 111 -6.776 18.080 3.455 1.00 0.00 C ATOM 1758 O LYS A 111 -7.494 17.439 4.221 1.00 0.00 O ATOM 1759 CB LYS A 111 -6.505 17.439 1.053 1.00 0.00 C ATOM 1760 CG LYS A 111 -7.209 17.277 -0.288 1.00 0.00 C ATOM 1761 CD LYS A 111 -7.183 18.558 -1.108 1.00 0.00 C ATOM 1762 CE LYS A 111 -8.022 18.433 -2.372 1.00 0.00 C ATOM 1763 NZ LYS A 111 -9.459 18.203 -2.061 1.00 0.00 N ATOM 0 H LYS A 111 -6.190 19.893 1.021 1.00 0.00 H new ATOM 0 HA LYS A 111 -8.296 18.207 1.964 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -5.497 17.816 0.878 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -6.402 16.458 1.518 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -6.732 16.476 -0.853 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -8.243 16.976 -0.120 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -7.556 19.385 -0.504 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -6.154 18.798 -1.376 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -7.920 19.340 -2.967 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -7.645 17.610 -2.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -10.015 18.241 -2.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -9.573 17.268 -1.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -9.795 18.938 -1.407 1.00 0.00 H new ATOM 1777 N ARG A 112 -5.591 18.556 3.799 1.00 0.00 N ATOM 1778 CA ARG A 112 -5.028 18.348 5.128 1.00 0.00 C ATOM 1779 C ARG A 112 -5.917 18.939 6.221 1.00 0.00 C ATOM 1780 O ARG A 112 -5.973 18.406 7.331 1.00 0.00 O ATOM 1781 CB ARG A 112 -3.631 18.956 5.203 1.00 0.00 C ATOM 1782 CG ARG A 112 -2.598 18.204 4.376 1.00 0.00 C ATOM 1783 CD ARG A 112 -1.254 18.913 4.386 1.00 0.00 C ATOM 1784 NE ARG A 112 -0.756 19.131 5.743 1.00 0.00 N ATOM 1785 CZ ARG A 112 -0.305 20.302 6.186 1.00 0.00 C ATOM 1786 NH1 ARG A 112 -0.317 21.361 5.384 1.00 0.00 N ATOM 1787 NH2 ARG A 112 0.146 20.415 7.429 1.00 0.00 N ATOM 0 H ARG A 112 -4.993 19.094 3.172 1.00 0.00 H new ATOM 0 HA ARG A 112 -4.968 17.273 5.298 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -3.675 19.991 4.863 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -3.307 18.976 6.244 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -2.481 17.194 4.769 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -2.952 18.108 3.350 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -0.529 18.323 3.825 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -1.347 19.872 3.876 1.00 0.00 H new ATOM 0 HE ARG A 112 -0.754 18.340 6.387 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -0.671 21.275 4.431 1.00 0.00 H new ATOM 0 HH12 ARG A 112 0.028 22.260 5.721 1.00 0.00 H new ATOM 0 HH21 ARG A 112 0.147 19.603 8.047 1.00 0.00 H new ATOM 0 HH22 ARG A 112 0.491 21.313 7.767 1.00 0.00 H new ATOM 1801 N LYS A 113 -6.615 20.030 5.908 1.00 0.00 N ATOM 1802 CA LYS A 113 -7.537 20.637 6.853 1.00 0.00 C ATOM 1803 C LYS A 113 -8.633 19.651 7.232 1.00 0.00 C ATOM 1804 O LYS A 113 -8.971 19.494 8.407 1.00 0.00 O ATOM 1805 CB LYS A 113 -8.171 21.894 6.258 1.00 0.00 C ATOM 1806 CG LYS A 113 -7.180 22.981 5.862 1.00 0.00 C ATOM 1807 CD LYS A 113 -6.205 23.302 6.982 1.00 0.00 C ATOM 1808 CE LYS A 113 -5.462 24.599 6.709 1.00 0.00 C ATOM 1809 NZ LYS A 113 -4.253 24.740 7.561 1.00 0.00 N ATOM 0 H LYS A 113 -6.556 20.507 5.008 1.00 0.00 H new ATOM 0 HA LYS A 113 -6.973 20.911 7.744 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -8.750 21.611 5.379 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -8.873 22.308 6.982 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -6.625 22.661 4.980 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -7.724 23.884 5.586 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -6.744 23.381 7.926 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -5.490 22.486 7.090 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -5.171 24.636 5.659 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -6.129 25.443 6.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -4.090 25.746 7.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -4.393 24.221 8.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -3.428 24.352 7.060 1.00 0.00 H new ATOM 1823 N LEU A 114 -9.168 18.973 6.225 1.00 0.00 N ATOM 1824 CA LEU A 114 -10.222 18.006 6.413 1.00 0.00 C ATOM 1825 C LEU A 114 -9.749 16.838 7.266 1.00 0.00 C ATOM 1826 O LEU A 114 -10.480 16.346 8.124 1.00 0.00 O ATOM 1827 CB LEU A 114 -10.683 17.507 5.051 1.00 0.00 C ATOM 1828 CG LEU A 114 -11.386 18.547 4.177 1.00 0.00 C ATOM 1829 CD1 LEU A 114 -11.774 17.936 2.843 1.00 0.00 C ATOM 1830 CD2 LEU A 114 -12.610 19.100 4.889 1.00 0.00 C ATOM 0 H LEU A 114 -8.876 19.085 5.254 1.00 0.00 H new ATOM 0 HA LEU A 114 -11.051 18.483 6.935 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -9.817 17.127 4.509 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -11.359 16.665 5.201 1.00 0.00 H new ATOM 0 HG LEU A 114 -10.697 19.371 3.993 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -12.273 18.687 2.231 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -10.879 17.586 2.329 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -12.449 17.096 3.010 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -13.098 19.839 4.253 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -13.305 18.288 5.101 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -12.305 19.571 5.824 1.00 0.00 H new ATOM 1842 N LEU A 115 -8.514 16.418 7.032 1.00 0.00 N ATOM 1843 CA LEU A 115 -7.908 15.322 7.781 1.00 0.00 C ATOM 1844 C LEU A 115 -7.873 15.628 9.279 1.00 0.00 C ATOM 1845 O LEU A 115 -7.917 14.722 10.112 1.00 0.00 O ATOM 1846 CB LEU A 115 -6.489 15.058 7.272 1.00 0.00 C ATOM 1847 CG LEU A 115 -6.377 14.721 5.782 1.00 0.00 C ATOM 1848 CD1 LEU A 115 -4.926 14.480 5.405 1.00 0.00 C ATOM 1849 CD2 LEU A 115 -7.222 13.503 5.444 1.00 0.00 C ATOM 0 H LEU A 115 -7.905 16.824 6.322 1.00 0.00 H new ATOM 0 HA LEU A 115 -8.519 14.432 7.628 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -5.879 15.938 7.475 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -6.063 14.235 7.846 1.00 0.00 H new ATOM 0 HG LEU A 115 -6.751 15.568 5.207 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -4.861 14.241 4.343 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -4.342 15.377 5.612 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -4.532 13.648 5.989 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -7.129 13.279 4.381 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -6.877 12.648 6.026 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -8.266 13.707 5.682 1.00 0.00 H new ATOM 1861 N VAL A 116 -7.787 16.908 9.616 1.00 0.00 N ATOM 1862 CA VAL A 116 -7.783 17.335 11.010 1.00 0.00 C ATOM 1863 C VAL A 116 -9.208 17.384 11.565 1.00 0.00 C ATOM 1864 O VAL A 116 -9.443 17.097 12.740 1.00 0.00 O ATOM 1865 CB VAL A 116 -7.122 18.723 11.170 1.00 0.00 C ATOM 1866 CG1 VAL A 116 -7.085 19.146 12.631 1.00 0.00 C ATOM 1867 CG2 VAL A 116 -5.720 18.724 10.582 1.00 0.00 C ATOM 0 H VAL A 116 -7.719 17.671 8.942 1.00 0.00 H new ATOM 0 HA VAL A 116 -7.202 16.604 11.572 1.00 0.00 H new ATOM 0 HB VAL A 116 -7.727 19.445 10.622 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -6.615 20.126 12.714 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -8.102 19.197 13.021 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -6.512 18.419 13.206 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -5.274 19.711 10.706 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -5.109 17.983 11.097 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -5.770 18.479 9.521 1.00 0.00 H new ATOM 1877 N GLN A 117 -10.153 17.728 10.705 1.00 0.00 N ATOM 1878 CA GLN A 117 -11.542 17.881 11.098 1.00 0.00 C ATOM 1879 C GLN A 117 -12.209 16.534 11.378 1.00 0.00 C ATOM 1880 O GLN A 117 -13.033 16.418 12.287 1.00 0.00 O ATOM 1881 CB GLN A 117 -12.291 18.605 9.990 1.00 0.00 C ATOM 1882 CG GLN A 117 -11.846 20.043 9.787 1.00 0.00 C ATOM 1883 CD GLN A 117 -12.433 20.668 8.536 1.00 0.00 C ATOM 1884 OE1 GLN A 117 -13.527 20.309 8.102 1.00 0.00 O ATOM 1885 NE2 GLN A 117 -11.721 21.623 7.961 1.00 0.00 N ATOM 0 H GLN A 117 -9.978 17.909 9.716 1.00 0.00 H new ATOM 0 HA GLN A 117 -11.574 18.459 12.022 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -12.158 18.058 9.057 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -13.357 18.593 10.217 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -12.138 20.635 10.655 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -10.758 20.077 9.729 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -10.818 21.892 8.352 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -12.075 22.091 7.127 1.00 0.00 H new ATOM 1894 N LEU A 118 -11.853 15.528 10.587 1.00 0.00 N ATOM 1895 CA LEU A 118 -12.458 14.201 10.696 1.00 0.00 C ATOM 1896 C LEU A 118 -12.156 13.558 12.048 1.00 0.00 C ATOM 1897 O LEU A 118 -13.053 13.542 12.915 1.00 0.00 O ATOM 1898 CB LEU A 118 -11.968 13.299 9.561 1.00 0.00 C ATOM 1899 CG LEU A 118 -12.331 13.774 8.153 1.00 0.00 C ATOM 1900 CD1 LEU A 118 -11.753 12.835 7.109 1.00 0.00 C ATOM 1901 CD2 LEU A 118 -13.841 13.883 7.994 1.00 0.00 C ATOM 0 H LEU A 118 -11.144 15.605 9.858 1.00 0.00 H new ATOM 0 HA LEU A 118 -13.538 14.321 10.616 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -10.884 13.211 9.630 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -12.379 12.300 9.708 1.00 0.00 H new ATOM 0 HG LEU A 118 -11.899 14.764 8.005 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -12.021 13.188 6.113 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -10.668 12.809 7.204 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -12.155 11.833 7.259 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -14.077 14.222 6.985 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -14.296 12.907 8.164 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -14.232 14.597 8.718 1.00 0.00 H new