USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 572 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 41 GLN : amide:sc= -7.43! C(o=-13!,f=-10!) USER MOD Set 1.2: A 45 ASN : amide:sc= -5.75! C(o=-13!,f=-10!) USER MOD Single : A 1 THR N :NH3+ -110:sc= 0.314 (180deg=-0.224) USER MOD Single : A 1 THR OG1 : rot -48:sc= 0.316 USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 76:sc= 0.21 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.0173 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.0928 USER MOD Single : A 18 GLN : amide:sc= -0.0102 X(o=-0.01,f=-0.012) USER MOD Single : A 22 MET CE :methyl -132:sc= -12! (180deg=-16.2!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= -2.35! K(o=-2.4!,f=-1.1) USER MOD Single : A 34 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.102) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc=0.000127 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot -127:sc= 0.165 USER MOD Single : A 65 MET CE :methyl -121:sc= -0.355 (180deg=-0.595) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 6.647 12.176 15.907 1.00 0.00 N ATOM 2 CA THR A 1 7.588 12.740 14.954 1.00 0.00 C ATOM 3 C THR A 1 7.326 12.185 13.553 1.00 0.00 C ATOM 4 O THR A 1 8.246 11.713 12.886 1.00 0.00 O ATOM 5 CB THR A 1 9.003 12.459 15.464 1.00 0.00 C ATOM 6 OG1 THR A 1 9.844 13.195 14.579 1.00 0.00 O ATOM 7 CG2 THR A 1 9.423 11.003 15.253 1.00 0.00 C ATOM 0 H1 THR A 1 5.981 12.913 16.215 1.00 0.00 H new ATOM 0 H2 THR A 1 6.121 11.400 15.457 1.00 0.00 H new ATOM 0 H3 THR A 1 7.165 11.811 16.732 1.00 0.00 H new ATOM 0 HA THR A 1 7.466 13.820 14.870 1.00 0.00 H new ATOM 0 HB THR A 1 9.062 12.703 16.525 1.00 0.00 H new ATOM 0 HG1 THR A 1 9.579 13.018 13.652 1.00 0.00 H new ATOM 0 HG21 THR A 1 10.435 10.858 15.632 1.00 0.00 H new ATOM 0 HG22 THR A 1 8.737 10.345 15.787 1.00 0.00 H new ATOM 0 HG23 THR A 1 9.397 10.767 14.189 1.00 0.00 H new ATOM 15 N TYR A 2 6.067 12.260 13.147 1.00 0.00 N ATOM 16 CA TYR A 2 5.673 11.771 11.837 1.00 0.00 C ATOM 17 C TYR A 2 4.178 11.992 11.597 1.00 0.00 C ATOM 18 O TYR A 2 3.775 12.410 10.513 1.00 0.00 O ATOM 19 CB TYR A 2 5.959 10.268 11.844 1.00 0.00 C ATOM 20 CG TYR A 2 5.200 9.495 12.924 1.00 0.00 C ATOM 21 CD1 TYR A 2 5.630 9.538 14.235 1.00 0.00 C ATOM 22 CD2 TYR A 2 4.085 8.754 12.588 1.00 0.00 C ATOM 23 CE1 TYR A 2 4.916 8.811 15.252 1.00 0.00 C ATOM 24 CE2 TYR A 2 3.371 8.027 13.605 1.00 0.00 C ATOM 25 CZ TYR A 2 3.821 8.091 14.886 1.00 0.00 C ATOM 26 OH TYR A 2 3.147 7.403 15.846 1.00 0.00 O ATOM 0 H TYR A 2 5.307 12.652 13.702 1.00 0.00 H new ATOM 0 HA TYR A 2 6.217 12.296 11.052 1.00 0.00 H new ATOM 0 HB2 TYR A 2 5.703 9.855 10.868 1.00 0.00 H new ATOM 0 HB3 TYR A 2 7.029 10.113 11.985 1.00 0.00 H new ATOM 0 HD1 TYR A 2 6.503 10.117 14.498 1.00 0.00 H new ATOM 0 HD2 TYR A 2 3.748 8.720 11.562 1.00 0.00 H new ATOM 0 HE1 TYR A 2 5.242 8.837 16.281 1.00 0.00 H new ATOM 0 HE2 TYR A 2 2.497 7.444 13.356 1.00 0.00 H new ATOM 0 HH TYR A 2 2.387 6.936 15.441 1.00 0.00 H new ATOM 36 N SER A 3 3.396 11.701 12.627 1.00 0.00 N ATOM 37 CA SER A 3 1.955 11.862 12.541 1.00 0.00 C ATOM 38 C SER A 3 1.606 13.332 12.300 1.00 0.00 C ATOM 39 O SER A 3 2.295 14.226 12.790 1.00 0.00 O ATOM 40 CB SER A 3 1.268 11.355 13.811 1.00 0.00 C ATOM 41 OG SER A 3 0.602 10.113 13.598 1.00 0.00 O ATOM 0 H SER A 3 3.734 11.355 13.525 1.00 0.00 H new ATOM 0 HA SER A 3 1.594 11.267 11.702 1.00 0.00 H new ATOM 0 HB2 SER A 3 2.009 11.238 14.602 1.00 0.00 H new ATOM 0 HB3 SER A 3 0.548 12.098 14.155 1.00 0.00 H new ATOM 0 HG SER A 3 1.262 9.389 13.570 1.00 0.00 H new ATOM 47 N LEU A 4 0.537 13.537 11.544 1.00 0.00 N ATOM 48 CA LEU A 4 0.089 14.883 11.232 1.00 0.00 C ATOM 49 C LEU A 4 -1.226 14.810 10.453 1.00 0.00 C ATOM 50 O LEU A 4 -1.557 13.772 9.882 1.00 0.00 O ATOM 51 CB LEU A 4 1.190 15.660 10.508 1.00 0.00 C ATOM 52 CG LEU A 4 1.372 17.119 10.932 1.00 0.00 C ATOM 53 CD1 LEU A 4 2.576 17.273 11.863 1.00 0.00 C ATOM 54 CD2 LEU A 4 1.470 18.037 9.712 1.00 0.00 C ATOM 0 H LEU A 4 -0.031 12.793 11.139 1.00 0.00 H new ATOM 0 HA LEU A 4 -0.112 15.439 12.147 1.00 0.00 H new ATOM 0 HB2 LEU A 4 2.135 15.138 10.659 1.00 0.00 H new ATOM 0 HB3 LEU A 4 0.980 15.637 9.439 1.00 0.00 H new ATOM 0 HG LEU A 4 0.489 17.424 11.494 1.00 0.00 H new ATOM 0 HD11 LEU A 4 2.683 18.319 12.149 1.00 0.00 H new ATOM 0 HD12 LEU A 4 2.426 16.666 12.756 1.00 0.00 H new ATOM 0 HD13 LEU A 4 3.479 16.944 11.348 1.00 0.00 H new ATOM 0 HD21 LEU A 4 1.599 19.068 10.042 1.00 0.00 H new ATOM 0 HD22 LEU A 4 2.324 17.742 9.102 1.00 0.00 H new ATOM 0 HD23 LEU A 4 0.557 17.956 9.122 1.00 0.00 H new ATOM 66 N ARG A 5 -1.941 15.926 10.454 1.00 0.00 N ATOM 67 CA ARG A 5 -3.212 16.002 9.755 1.00 0.00 C ATOM 68 C ARG A 5 -4.164 14.919 10.266 1.00 0.00 C ATOM 69 O ARG A 5 -3.756 14.031 11.014 1.00 0.00 O ATOM 70 CB ARG A 5 -3.022 15.834 8.246 1.00 0.00 C ATOM 71 CG ARG A 5 -2.069 16.895 7.692 1.00 0.00 C ATOM 72 CD ARG A 5 -1.793 16.662 6.205 1.00 0.00 C ATOM 73 NE ARG A 5 -2.861 17.282 5.390 1.00 0.00 N ATOM 74 CZ ARG A 5 -4.017 16.679 5.080 1.00 0.00 C ATOM 75 NH1 ARG A 5 -4.261 15.435 5.516 1.00 0.00 N ATOM 76 NH2 ARG A 5 -4.928 17.318 4.334 1.00 0.00 N ATOM 0 H ARG A 5 -1.663 16.785 10.928 1.00 0.00 H new ATOM 0 HA ARG A 5 -3.638 16.986 9.948 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -2.628 14.840 8.034 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -3.987 15.909 7.744 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -2.500 17.886 7.835 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -1.131 16.872 8.247 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -0.826 17.086 5.935 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -1.741 15.593 5.999 1.00 0.00 H new ATOM 0 HE ARG A 5 -2.708 18.228 5.042 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -3.567 14.948 6.083 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -5.141 14.975 5.280 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -4.742 18.264 4.001 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -5.808 16.858 4.098 1.00 0.00 H new ATOM 90 N THR A 6 -5.415 15.027 9.842 1.00 0.00 N ATOM 91 CA THR A 6 -6.428 14.068 10.247 1.00 0.00 C ATOM 92 C THR A 6 -6.358 12.816 9.371 1.00 0.00 C ATOM 93 O THR A 6 -5.450 12.676 8.553 1.00 0.00 O ATOM 94 CB THR A 6 -7.788 14.768 10.199 1.00 0.00 C ATOM 95 OG1 THR A 6 -7.909 15.198 8.845 1.00 0.00 O ATOM 96 CG2 THR A 6 -7.807 16.068 11.005 1.00 0.00 C ATOM 0 H THR A 6 -5.750 15.764 9.222 1.00 0.00 H new ATOM 0 HA THR A 6 -6.260 13.722 11.267 1.00 0.00 H new ATOM 0 HB THR A 6 -8.556 14.094 10.579 1.00 0.00 H new ATOM 0 HG1 THR A 6 -8.764 15.661 8.724 1.00 0.00 H new ATOM 0 HG21 THR A 6 -8.795 16.524 10.937 1.00 0.00 H new ATOM 0 HG22 THR A 6 -7.578 15.852 12.049 1.00 0.00 H new ATOM 0 HG23 THR A 6 -7.062 16.755 10.604 1.00 0.00 H new ATOM 104 N PHE A 7 -7.327 11.936 9.573 1.00 0.00 N ATOM 105 CA PHE A 7 -7.387 10.700 8.812 1.00 0.00 C ATOM 106 C PHE A 7 -8.765 10.515 8.174 1.00 0.00 C ATOM 107 O PHE A 7 -9.733 10.193 8.861 1.00 0.00 O ATOM 108 CB PHE A 7 -7.136 9.556 9.797 1.00 0.00 C ATOM 109 CG PHE A 7 -5.668 9.385 10.192 1.00 0.00 C ATOM 110 CD1 PHE A 7 -4.778 8.877 9.298 1.00 0.00 C ATOM 111 CD2 PHE A 7 -5.253 9.742 11.437 1.00 0.00 C ATOM 112 CE1 PHE A 7 -3.415 8.719 9.664 1.00 0.00 C ATOM 113 CE2 PHE A 7 -3.890 9.584 11.803 1.00 0.00 C ATOM 114 CZ PHE A 7 -3.000 9.076 10.909 1.00 0.00 C ATOM 0 H PHE A 7 -8.078 12.054 10.253 1.00 0.00 H new ATOM 0 HA PHE A 7 -6.646 10.719 8.013 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -7.726 9.729 10.697 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -7.494 8.626 9.356 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -5.108 8.594 8.309 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -5.960 10.145 12.147 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -2.708 8.316 8.954 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -3.560 9.867 12.792 1.00 0.00 H new ATOM 0 HZ PHE A 7 -1.964 8.956 11.188 1.00 0.00 H new ATOM 124 N PHE A 8 -8.809 10.725 6.866 1.00 0.00 N ATOM 125 CA PHE A 8 -10.053 10.586 6.128 1.00 0.00 C ATOM 126 C PHE A 8 -9.821 10.762 4.626 1.00 0.00 C ATOM 127 O PHE A 8 -10.092 11.827 4.073 1.00 0.00 O ATOM 128 CB PHE A 8 -10.992 11.688 6.620 1.00 0.00 C ATOM 129 CG PHE A 8 -12.469 11.426 6.323 1.00 0.00 C ATOM 130 CD1 PHE A 8 -13.169 10.540 7.082 1.00 0.00 C ATOM 131 CD2 PHE A 8 -13.084 12.078 5.300 1.00 0.00 C ATOM 132 CE1 PHE A 8 -14.540 10.296 6.807 1.00 0.00 C ATOM 133 CE2 PHE A 8 -14.456 11.834 5.024 1.00 0.00 C ATOM 134 CZ PHE A 8 -15.155 10.948 5.784 1.00 0.00 C ATOM 0 H PHE A 8 -8.004 10.990 6.299 1.00 0.00 H new ATOM 0 HA PHE A 8 -10.473 9.593 6.290 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -10.864 11.807 7.696 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -10.701 12.632 6.159 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -12.681 10.022 7.894 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -12.529 12.782 4.697 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -15.095 9.593 7.410 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -14.944 12.352 4.211 1.00 0.00 H new ATOM 0 HZ PHE A 8 -16.198 10.762 5.575 1.00 0.00 H new ATOM 144 N VAL A 9 -9.321 9.702 4.008 1.00 0.00 N ATOM 145 CA VAL A 9 -9.050 9.726 2.580 1.00 0.00 C ATOM 146 C VAL A 9 -9.321 8.341 1.990 1.00 0.00 C ATOM 147 O VAL A 9 -8.415 7.700 1.460 1.00 0.00 O ATOM 148 CB VAL A 9 -7.622 10.214 2.328 1.00 0.00 C ATOM 149 CG1 VAL A 9 -6.599 9.261 2.947 1.00 0.00 C ATOM 150 CG2 VAL A 9 -7.363 10.400 0.831 1.00 0.00 C ATOM 0 H VAL A 9 -9.096 8.821 4.470 1.00 0.00 H new ATOM 0 HA VAL A 9 -9.714 10.429 2.077 1.00 0.00 H new ATOM 0 HB VAL A 9 -7.510 11.185 2.811 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -5.592 9.632 2.753 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -6.762 9.201 4.023 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -6.712 8.270 2.507 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -6.341 10.747 0.679 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -7.503 9.449 0.317 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -8.060 11.136 0.430 1.00 0.00 H new ATOM 160 N ARG A 10 -10.573 7.921 2.101 1.00 0.00 N ATOM 161 CA ARG A 10 -10.975 6.623 1.585 1.00 0.00 C ATOM 162 C ARG A 10 -11.126 6.681 0.064 1.00 0.00 C ATOM 163 O ARG A 10 -10.400 6.003 -0.662 1.00 0.00 O ATOM 164 CB ARG A 10 -12.298 6.170 2.206 1.00 0.00 C ATOM 165 CG ARG A 10 -12.142 5.916 3.706 1.00 0.00 C ATOM 166 CD ARG A 10 -11.852 4.440 3.985 1.00 0.00 C ATOM 167 NE ARG A 10 -13.062 3.629 3.725 1.00 0.00 N ATOM 168 CZ ARG A 10 -14.113 3.558 4.554 1.00 0.00 C ATOM 169 NH1 ARG A 10 -14.108 4.249 5.701 1.00 0.00 N ATOM 170 NH2 ARG A 10 -15.168 2.796 4.235 1.00 0.00 N ATOM 0 H ARG A 10 -11.322 8.456 2.540 1.00 0.00 H new ATOM 0 HA ARG A 10 -10.198 5.905 1.849 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -13.061 6.931 2.040 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -12.642 5.261 1.714 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -11.332 6.530 4.100 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -13.052 6.216 4.226 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -11.032 4.097 3.355 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -11.534 4.313 5.020 1.00 0.00 H new ATOM 0 HE ARG A 10 -13.099 3.090 2.860 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -13.305 4.829 5.943 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -14.907 4.195 6.332 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -15.171 2.270 3.361 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -15.968 2.742 4.866 1.00 0.00 H new ATOM 184 N GLU A 11 -12.074 7.497 -0.374 1.00 0.00 N ATOM 185 CA GLU A 11 -12.329 7.652 -1.796 1.00 0.00 C ATOM 186 C GLU A 11 -11.062 8.116 -2.516 1.00 0.00 C ATOM 187 O GLU A 11 -10.765 9.310 -2.550 1.00 0.00 O ATOM 188 CB GLU A 11 -13.487 8.622 -2.043 1.00 0.00 C ATOM 189 CG GLU A 11 -14.826 7.883 -2.061 1.00 0.00 C ATOM 190 CD GLU A 11 -15.780 8.503 -3.085 1.00 0.00 C ATOM 191 OE1 GLU A 11 -15.441 8.440 -4.287 1.00 0.00 O ATOM 192 OE2 GLU A 11 -16.825 9.026 -2.643 1.00 0.00 O ATOM 0 H GLU A 11 -12.674 8.057 0.231 1.00 0.00 H new ATOM 0 HA GLU A 11 -12.618 6.682 -2.201 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -13.499 9.385 -1.265 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -13.339 9.137 -2.992 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -14.663 6.832 -2.300 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -15.278 7.918 -1.070 1.00 0.00 H new ATOM 199 N SER A 12 -10.348 7.149 -3.073 1.00 0.00 N ATOM 200 CA SER A 12 -9.119 7.444 -3.790 1.00 0.00 C ATOM 201 C SER A 12 -8.122 8.136 -2.858 1.00 0.00 C ATOM 202 O SER A 12 -8.518 8.767 -1.879 1.00 0.00 O ATOM 203 CB SER A 12 -9.392 8.317 -5.016 1.00 0.00 C ATOM 204 OG SER A 12 -9.654 7.537 -6.179 1.00 0.00 O ATOM 0 H SER A 12 -10.597 6.160 -3.042 1.00 0.00 H new ATOM 0 HA SER A 12 -8.691 6.503 -4.135 1.00 0.00 H new ATOM 0 HB2 SER A 12 -10.244 8.967 -4.816 1.00 0.00 H new ATOM 0 HB3 SER A 12 -8.534 8.964 -5.199 1.00 0.00 H new ATOM 0 HG SER A 12 -9.825 8.131 -6.940 1.00 0.00 H new ATOM 210 N ALA A 13 -6.849 7.994 -3.195 1.00 0.00 N ATOM 211 CA ALA A 13 -5.793 8.598 -2.400 1.00 0.00 C ATOM 212 C ALA A 13 -5.732 10.098 -2.694 1.00 0.00 C ATOM 213 O ALA A 13 -6.236 10.553 -3.720 1.00 0.00 O ATOM 214 CB ALA A 13 -4.467 7.892 -2.692 1.00 0.00 C ATOM 0 H ALA A 13 -6.525 7.470 -4.008 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.999 8.479 -1.336 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -3.675 8.345 -2.096 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.554 6.836 -2.438 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -4.227 7.992 -3.751 1.00 0.00 H new ATOM 220 N GLU A 14 -5.112 10.824 -1.776 1.00 0.00 N ATOM 221 CA GLU A 14 -4.979 12.264 -1.925 1.00 0.00 C ATOM 222 C GLU A 14 -3.823 12.595 -2.870 1.00 0.00 C ATOM 223 O GLU A 14 -2.975 13.427 -2.551 1.00 0.00 O ATOM 224 CB GLU A 14 -4.788 12.940 -0.566 1.00 0.00 C ATOM 225 CG GLU A 14 -5.859 14.006 -0.328 1.00 0.00 C ATOM 226 CD GLU A 14 -5.569 14.799 0.948 1.00 0.00 C ATOM 227 OE1 GLU A 14 -4.996 14.190 1.877 1.00 0.00 O ATOM 228 OE2 GLU A 14 -5.928 15.996 0.966 1.00 0.00 O ATOM 0 H GLU A 14 -4.696 10.443 -0.926 1.00 0.00 H new ATOM 0 HA GLU A 14 -5.900 12.652 -2.360 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -4.832 12.192 0.226 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -3.799 13.396 -0.519 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.898 14.684 -1.181 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.838 13.533 -0.252 1.00 0.00 H new ATOM 235 N GLY A 15 -3.826 11.928 -4.015 1.00 0.00 N ATOM 236 CA GLY A 15 -2.788 12.141 -5.009 1.00 0.00 C ATOM 237 C GLY A 15 -1.397 12.006 -4.386 1.00 0.00 C ATOM 238 O GLY A 15 -0.413 12.486 -4.946 1.00 0.00 O ATOM 0 H GLY A 15 -4.531 11.239 -4.276 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -2.900 11.419 -5.818 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -2.899 13.132 -5.449 1.00 0.00 H new ATOM 242 N LEU A 16 -1.360 11.349 -3.236 1.00 0.00 N ATOM 243 CA LEU A 16 -0.106 11.145 -2.531 1.00 0.00 C ATOM 244 C LEU A 16 0.993 10.806 -3.541 1.00 0.00 C ATOM 245 O LEU A 16 0.703 10.390 -4.662 1.00 0.00 O ATOM 246 CB LEU A 16 -0.274 10.095 -1.431 1.00 0.00 C ATOM 247 CG LEU A 16 -0.668 8.692 -1.897 1.00 0.00 C ATOM 248 CD1 LEU A 16 0.317 8.166 -2.944 1.00 0.00 C ATOM 249 CD2 LEU A 16 -0.806 7.738 -0.709 1.00 0.00 C ATOM 0 H LEU A 16 -2.178 10.951 -2.775 1.00 0.00 H new ATOM 0 HA LEU A 16 0.198 12.060 -2.023 1.00 0.00 H new ATOM 0 HB2 LEU A 16 0.663 10.023 -0.879 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.030 10.449 -0.731 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.645 8.753 -2.376 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.015 7.167 -3.259 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.322 8.832 -3.806 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.317 8.123 -2.513 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.087 6.748 -1.068 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.145 7.676 -0.180 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.575 8.110 -0.031 1.00 0.00 H new ATOM 261 N THR A 17 2.230 10.998 -3.108 1.00 0.00 N ATOM 262 CA THR A 17 3.373 10.718 -3.960 1.00 0.00 C ATOM 263 C THR A 17 3.786 9.250 -3.834 1.00 0.00 C ATOM 264 O THR A 17 3.495 8.604 -2.829 1.00 0.00 O ATOM 265 CB THR A 17 4.489 11.697 -3.591 1.00 0.00 C ATOM 266 OG1 THR A 17 4.459 11.737 -2.167 1.00 0.00 O ATOM 267 CG2 THR A 17 4.172 13.133 -4.011 1.00 0.00 C ATOM 0 H THR A 17 2.466 11.344 -2.178 1.00 0.00 H new ATOM 0 HA THR A 17 3.127 10.864 -5.012 1.00 0.00 H new ATOM 0 HB THR A 17 5.420 11.379 -4.061 1.00 0.00 H new ATOM 0 HG1 THR A 17 5.153 12.348 -1.842 1.00 0.00 H new ATOM 0 HG21 THR A 17 4.997 13.786 -3.725 1.00 0.00 H new ATOM 0 HG22 THR A 17 4.034 13.174 -5.091 1.00 0.00 H new ATOM 0 HG23 THR A 17 3.259 13.464 -3.516 1.00 0.00 H new ATOM 275 N GLN A 18 4.457 8.766 -4.869 1.00 0.00 N ATOM 276 CA GLN A 18 4.913 7.387 -4.887 1.00 0.00 C ATOM 277 C GLN A 18 5.740 7.085 -3.636 1.00 0.00 C ATOM 278 O GLN A 18 5.730 5.961 -3.137 1.00 0.00 O ATOM 279 CB GLN A 18 5.711 7.089 -6.157 1.00 0.00 C ATOM 280 CG GLN A 18 4.828 6.426 -7.217 1.00 0.00 C ATOM 281 CD GLN A 18 3.707 7.366 -7.663 1.00 0.00 C ATOM 282 OE1 GLN A 18 2.610 7.364 -7.129 1.00 0.00 O ATOM 283 NE2 GLN A 18 4.042 8.168 -8.670 1.00 0.00 N ATOM 0 H GLN A 18 4.696 9.305 -5.701 1.00 0.00 H new ATOM 0 HA GLN A 18 4.039 6.736 -4.887 1.00 0.00 H new ATOM 0 HB2 GLN A 18 6.129 8.014 -6.554 1.00 0.00 H new ATOM 0 HB3 GLN A 18 6.551 6.437 -5.918 1.00 0.00 H new ATOM 0 HG2 GLN A 18 5.435 6.145 -8.077 1.00 0.00 H new ATOM 0 HG3 GLN A 18 4.399 5.508 -6.816 1.00 0.00 H new ATOM 0 HE21 GLN A 18 4.978 8.118 -9.072 1.00 0.00 H new ATOM 0 HE22 GLN A 18 3.363 8.833 -9.040 1.00 0.00 H new ATOM 292 N GLY A 19 6.437 8.109 -3.165 1.00 0.00 N ATOM 293 CA GLY A 19 7.269 7.967 -1.982 1.00 0.00 C ATOM 294 C GLY A 19 6.411 7.832 -0.722 1.00 0.00 C ATOM 295 O GLY A 19 6.755 7.081 0.189 1.00 0.00 O ATOM 0 H GLY A 19 6.443 9.040 -3.581 1.00 0.00 H new ATOM 0 HA2 GLY A 19 7.909 7.091 -2.086 1.00 0.00 H new ATOM 0 HA3 GLY A 19 7.925 8.832 -1.889 1.00 0.00 H new ATOM 299 N GLU A 20 5.312 8.572 -0.711 1.00 0.00 N ATOM 300 CA GLU A 20 4.403 8.544 0.422 1.00 0.00 C ATOM 301 C GLU A 20 3.747 7.167 0.542 1.00 0.00 C ATOM 302 O GLU A 20 3.555 6.661 1.647 1.00 0.00 O ATOM 303 CB GLU A 20 3.348 9.646 0.306 1.00 0.00 C ATOM 304 CG GLU A 20 3.516 10.685 1.416 1.00 0.00 C ATOM 305 CD GLU A 20 2.919 10.184 2.732 1.00 0.00 C ATOM 306 OE1 GLU A 20 1.817 9.596 2.667 1.00 0.00 O ATOM 307 OE2 GLU A 20 3.577 10.399 3.772 1.00 0.00 O ATOM 0 H GLU A 20 5.031 9.194 -1.469 1.00 0.00 H new ATOM 0 HA GLU A 20 4.978 8.731 1.329 1.00 0.00 H new ATOM 0 HB2 GLU A 20 3.429 10.131 -0.667 1.00 0.00 H new ATOM 0 HB3 GLU A 20 2.352 9.208 0.361 1.00 0.00 H new ATOM 0 HG2 GLU A 20 4.574 10.907 1.554 1.00 0.00 H new ATOM 0 HG3 GLU A 20 3.031 11.616 1.124 1.00 0.00 H new ATOM 314 N LEU A 21 3.420 6.600 -0.610 1.00 0.00 N ATOM 315 CA LEU A 21 2.789 5.292 -0.647 1.00 0.00 C ATOM 316 C LEU A 21 3.750 4.250 -0.070 1.00 0.00 C ATOM 317 O LEU A 21 3.330 3.344 0.648 1.00 0.00 O ATOM 318 CB LEU A 21 2.309 4.969 -2.064 1.00 0.00 C ATOM 319 CG LEU A 21 1.164 3.960 -2.170 1.00 0.00 C ATOM 320 CD1 LEU A 21 1.533 2.638 -1.494 1.00 0.00 C ATOM 321 CD2 LEU A 21 -0.136 4.545 -1.615 1.00 0.00 C ATOM 0 H LEU A 21 3.580 7.023 -1.524 1.00 0.00 H new ATOM 0 HA LEU A 21 1.896 5.282 -0.023 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.994 5.898 -2.540 1.00 0.00 H new ATOM 0 HB3 LEU A 21 3.156 4.589 -2.635 1.00 0.00 H new ATOM 0 HG LEU A 21 0.995 3.745 -3.225 1.00 0.00 H new ATOM 0 HD11 LEU A 21 0.702 1.939 -1.584 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.415 2.217 -1.976 1.00 0.00 H new ATOM 0 HD13 LEU A 21 1.745 2.815 -0.440 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.934 3.807 -1.703 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.002 4.808 -0.566 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.404 5.438 -2.180 1.00 0.00 H new ATOM 333 N MET A 22 5.021 4.414 -0.406 1.00 0.00 N ATOM 334 CA MET A 22 6.045 3.500 0.069 1.00 0.00 C ATOM 335 C MET A 22 5.991 3.359 1.592 1.00 0.00 C ATOM 336 O MET A 22 5.756 2.269 2.110 1.00 0.00 O ATOM 337 CB MET A 22 7.424 4.015 -0.347 1.00 0.00 C ATOM 338 CG MET A 22 7.601 3.943 -1.866 1.00 0.00 C ATOM 339 SD MET A 22 9.219 3.302 -2.261 1.00 0.00 S ATOM 340 CE MET A 22 9.117 1.699 -1.484 1.00 0.00 C ATOM 0 H MET A 22 5.365 5.167 -1.002 1.00 0.00 H new ATOM 0 HA MET A 22 5.864 2.521 -0.375 1.00 0.00 H new ATOM 0 HB2 MET A 22 7.548 5.045 -0.011 1.00 0.00 H new ATOM 0 HB3 MET A 22 8.199 3.425 0.141 1.00 0.00 H new ATOM 0 HG2 MET A 22 6.832 3.305 -2.300 1.00 0.00 H new ATOM 0 HG3 MET A 22 7.477 4.934 -2.302 1.00 0.00 H new ATOM 0 HE1 MET A 22 10.012 1.527 -0.886 1.00 0.00 H new ATOM 0 HE2 MET A 22 8.238 1.662 -0.841 1.00 0.00 H new ATOM 0 HE3 MET A 22 9.039 0.928 -2.250 1.00 0.00 H new ATOM 350 N LYS A 23 6.211 4.479 2.265 1.00 0.00 N ATOM 351 CA LYS A 23 6.190 4.494 3.718 1.00 0.00 C ATOM 352 C LYS A 23 4.824 4.012 4.209 1.00 0.00 C ATOM 353 O LYS A 23 4.713 3.457 5.302 1.00 0.00 O ATOM 354 CB LYS A 23 6.580 5.877 4.245 1.00 0.00 C ATOM 355 CG LYS A 23 8.091 5.974 4.464 1.00 0.00 C ATOM 356 CD LYS A 23 8.821 6.233 3.145 1.00 0.00 C ATOM 357 CE LYS A 23 9.577 4.985 2.683 1.00 0.00 C ATOM 358 NZ LYS A 23 11.001 5.066 3.078 1.00 0.00 N ATOM 0 H LYS A 23 6.405 5.382 1.831 1.00 0.00 H new ATOM 0 HA LYS A 23 6.934 3.804 4.117 1.00 0.00 H new ATOM 0 HB2 LYS A 23 6.262 6.643 3.538 1.00 0.00 H new ATOM 0 HB3 LYS A 23 6.060 6.073 5.183 1.00 0.00 H new ATOM 0 HG2 LYS A 23 8.309 6.777 5.168 1.00 0.00 H new ATOM 0 HG3 LYS A 23 8.457 5.050 4.911 1.00 0.00 H new ATOM 0 HD2 LYS A 23 8.104 6.532 2.381 1.00 0.00 H new ATOM 0 HD3 LYS A 23 9.519 7.061 3.268 1.00 0.00 H new ATOM 0 HE2 LYS A 23 9.123 4.095 3.119 1.00 0.00 H new ATOM 0 HE3 LYS A 23 9.499 4.885 1.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 11.499 4.212 2.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 11.435 5.904 2.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 11.071 5.139 4.113 1.00 0.00 H new ATOM 372 N LEU A 24 3.817 4.240 3.379 1.00 0.00 N ATOM 373 CA LEU A 24 2.463 3.836 3.715 1.00 0.00 C ATOM 374 C LEU A 24 2.387 2.308 3.759 1.00 0.00 C ATOM 375 O LEU A 24 1.796 1.739 4.675 1.00 0.00 O ATOM 376 CB LEU A 24 1.459 4.473 2.752 1.00 0.00 C ATOM 377 CG LEU A 24 0.726 5.712 3.271 1.00 0.00 C ATOM 378 CD1 LEU A 24 0.311 6.628 2.117 1.00 0.00 C ATOM 379 CD2 LEU A 24 -0.465 5.318 4.147 1.00 0.00 C ATOM 0 H LEU A 24 3.912 4.700 2.474 1.00 0.00 H new ATOM 0 HA LEU A 24 2.193 4.198 4.707 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.985 4.743 1.836 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.716 3.722 2.483 1.00 0.00 H new ATOM 0 HG LEU A 24 1.414 6.278 3.899 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -0.208 7.501 2.514 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.198 6.950 1.571 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.353 6.086 1.443 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.968 6.217 4.503 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.163 4.718 3.563 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.113 4.738 5.000 1.00 0.00 H new ATOM 391 N ILE A 25 2.995 1.689 2.759 1.00 0.00 N ATOM 392 CA ILE A 25 3.005 0.238 2.672 1.00 0.00 C ATOM 393 C ILE A 25 3.824 -0.333 3.831 1.00 0.00 C ATOM 394 O ILE A 25 3.406 -1.291 4.479 1.00 0.00 O ATOM 395 CB ILE A 25 3.492 -0.213 1.293 1.00 0.00 C ATOM 396 CG1 ILE A 25 2.373 -0.109 0.255 1.00 0.00 C ATOM 397 CG2 ILE A 25 4.087 -1.621 1.356 1.00 0.00 C ATOM 398 CD1 ILE A 25 2.880 -0.491 -1.137 1.00 0.00 C ATOM 0 H ILE A 25 3.485 2.165 2.001 1.00 0.00 H new ATOM 0 HA ILE A 25 1.994 -0.156 2.772 1.00 0.00 H new ATOM 0 HB ILE A 25 4.289 0.459 0.975 1.00 0.00 H new ATOM 0 HG12 ILE A 25 1.548 -0.763 0.538 1.00 0.00 H new ATOM 0 HG13 ILE A 25 1.982 0.908 0.237 1.00 0.00 H new ATOM 0 HG21 ILE A 25 4.425 -1.918 0.363 1.00 0.00 H new ATOM 0 HG22 ILE A 25 4.932 -1.629 2.045 1.00 0.00 H new ATOM 0 HG23 ILE A 25 3.328 -2.321 1.705 1.00 0.00 H new ATOM 0 HD11 ILE A 25 2.065 -0.409 -1.856 1.00 0.00 H new ATOM 0 HD12 ILE A 25 3.689 0.180 -1.426 1.00 0.00 H new ATOM 0 HD13 ILE A 25 3.248 -1.517 -1.121 1.00 0.00 H new ATOM 410 N LYS A 26 4.976 0.281 4.057 1.00 0.00 N ATOM 411 CA LYS A 26 5.858 -0.154 5.127 1.00 0.00 C ATOM 412 C LYS A 26 5.162 0.056 6.473 1.00 0.00 C ATOM 413 O LYS A 26 5.268 -0.781 7.368 1.00 0.00 O ATOM 414 CB LYS A 26 7.215 0.545 5.021 1.00 0.00 C ATOM 415 CG LYS A 26 8.305 -0.262 5.730 1.00 0.00 C ATOM 416 CD LYS A 26 8.927 0.542 6.873 1.00 0.00 C ATOM 417 CE LYS A 26 10.339 1.007 6.512 1.00 0.00 C ATOM 418 NZ LYS A 26 11.162 1.161 7.732 1.00 0.00 N ATOM 0 H LYS A 26 5.319 1.076 3.518 1.00 0.00 H new ATOM 0 HA LYS A 26 6.067 -1.220 5.038 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.479 0.676 3.972 1.00 0.00 H new ATOM 0 HB3 LYS A 26 7.151 1.540 5.461 1.00 0.00 H new ATOM 0 HG2 LYS A 26 7.881 -1.187 6.120 1.00 0.00 H new ATOM 0 HG3 LYS A 26 9.078 -0.542 5.015 1.00 0.00 H new ATOM 0 HD2 LYS A 26 8.302 1.406 7.096 1.00 0.00 H new ATOM 0 HD3 LYS A 26 8.961 -0.069 7.775 1.00 0.00 H new ATOM 0 HE2 LYS A 26 10.805 0.286 5.841 1.00 0.00 H new ATOM 0 HE3 LYS A 26 10.290 1.955 5.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 12.117 1.477 7.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 10.725 1.866 8.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 11.224 0.248 8.227 1.00 0.00 H new ATOM 432 N GLU A 27 4.465 1.178 6.574 1.00 0.00 N ATOM 433 CA GLU A 27 3.751 1.508 7.796 1.00 0.00 C ATOM 434 C GLU A 27 2.751 0.403 8.142 1.00 0.00 C ATOM 435 O GLU A 27 2.555 0.084 9.314 1.00 0.00 O ATOM 436 CB GLU A 27 3.050 2.863 7.672 1.00 0.00 C ATOM 437 CG GLU A 27 3.817 3.948 8.431 1.00 0.00 C ATOM 438 CD GLU A 27 4.029 5.184 7.554 1.00 0.00 C ATOM 439 OE1 GLU A 27 3.018 5.867 7.283 1.00 0.00 O ATOM 440 OE2 GLU A 27 5.197 5.418 7.176 1.00 0.00 O ATOM 0 H GLU A 27 4.379 1.870 5.830 1.00 0.00 H new ATOM 0 HA GLU A 27 4.475 1.583 8.608 1.00 0.00 H new ATOM 0 HB2 GLU A 27 2.967 3.139 6.621 1.00 0.00 H new ATOM 0 HB3 GLU A 27 2.035 2.789 8.063 1.00 0.00 H new ATOM 0 HG2 GLU A 27 3.267 4.226 9.330 1.00 0.00 H new ATOM 0 HG3 GLU A 27 4.782 3.558 8.755 1.00 0.00 H new ATOM 447 N ILE A 28 2.146 -0.151 7.102 1.00 0.00 N ATOM 448 CA ILE A 28 1.172 -1.213 7.281 1.00 0.00 C ATOM 449 C ILE A 28 1.879 -2.465 7.803 1.00 0.00 C ATOM 450 O ILE A 28 1.265 -3.298 8.468 1.00 0.00 O ATOM 451 CB ILE A 28 0.387 -1.444 5.988 1.00 0.00 C ATOM 452 CG1 ILE A 28 -0.830 -0.520 5.912 1.00 0.00 C ATOM 453 CG2 ILE A 28 -0.001 -2.917 5.838 1.00 0.00 C ATOM 454 CD1 ILE A 28 -0.580 0.637 4.943 1.00 0.00 C ATOM 0 H ILE A 28 2.312 0.116 6.132 1.00 0.00 H new ATOM 0 HA ILE A 28 0.432 -0.929 8.029 1.00 0.00 H new ATOM 0 HB ILE A 28 1.033 -1.194 5.147 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -1.703 -1.088 5.589 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -1.055 -0.127 6.903 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -0.558 -3.054 4.911 1.00 0.00 H new ATOM 0 HG22 ILE A 28 0.900 -3.530 5.814 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -0.622 -3.217 6.682 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -1.460 1.279 4.908 1.00 0.00 H new ATOM 0 HD12 ILE A 28 0.278 1.217 5.282 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -0.379 0.241 3.947 1.00 0.00 H new ATOM 466 N VAL A 29 3.161 -2.559 7.483 1.00 0.00 N ATOM 467 CA VAL A 29 3.959 -3.695 7.911 1.00 0.00 C ATOM 468 C VAL A 29 4.645 -3.360 9.237 1.00 0.00 C ATOM 469 O VAL A 29 5.523 -4.095 9.689 1.00 0.00 O ATOM 470 CB VAL A 29 4.946 -4.087 6.810 1.00 0.00 C ATOM 471 CG1 VAL A 29 5.302 -5.573 6.895 1.00 0.00 C ATOM 472 CG2 VAL A 29 4.393 -3.735 5.427 1.00 0.00 C ATOM 0 H VAL A 29 3.667 -1.866 6.932 1.00 0.00 H new ATOM 0 HA VAL A 29 3.324 -4.564 8.083 1.00 0.00 H new ATOM 0 HB VAL A 29 5.861 -3.514 6.962 1.00 0.00 H new ATOM 0 HG11 VAL A 29 6.005 -5.825 6.101 1.00 0.00 H new ATOM 0 HG12 VAL A 29 5.757 -5.783 7.863 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.398 -6.171 6.782 1.00 0.00 H new ATOM 0 HG21 VAL A 29 5.114 -4.024 4.662 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.457 -4.268 5.263 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.214 -2.661 5.369 1.00 0.00 H new ATOM 482 N GLU A 30 4.220 -2.251 9.823 1.00 0.00 N ATOM 483 CA GLU A 30 4.782 -1.810 11.088 1.00 0.00 C ATOM 484 C GLU A 30 4.336 -2.738 12.220 1.00 0.00 C ATOM 485 O GLU A 30 5.046 -2.900 13.211 1.00 0.00 O ATOM 486 CB GLU A 30 4.395 -0.360 11.384 1.00 0.00 C ATOM 487 CG GLU A 30 5.377 0.280 12.368 1.00 0.00 C ATOM 488 CD GLU A 30 5.044 -0.112 13.809 1.00 0.00 C ATOM 489 OE1 GLU A 30 4.018 0.395 14.312 1.00 0.00 O ATOM 490 OE2 GLU A 30 5.823 -0.909 14.375 1.00 0.00 O ATOM 0 H GLU A 30 3.493 -1.644 9.445 1.00 0.00 H new ATOM 0 HA GLU A 30 5.869 -1.854 11.015 1.00 0.00 H new ATOM 0 HB2 GLU A 30 4.379 0.212 10.457 1.00 0.00 H new ATOM 0 HB3 GLU A 30 3.387 -0.326 11.797 1.00 0.00 H new ATOM 0 HG2 GLU A 30 6.393 -0.033 12.128 1.00 0.00 H new ATOM 0 HG3 GLU A 30 5.345 1.365 12.266 1.00 0.00 H new ATOM 497 N ASN A 31 3.162 -3.324 12.034 1.00 0.00 N ATOM 498 CA ASN A 31 2.613 -4.232 13.027 1.00 0.00 C ATOM 499 C ASN A 31 1.960 -5.420 12.319 1.00 0.00 C ATOM 500 O ASN A 31 0.819 -5.773 12.614 1.00 0.00 O ATOM 501 CB ASN A 31 1.544 -3.540 13.874 1.00 0.00 C ATOM 502 CG ASN A 31 2.169 -2.843 15.084 1.00 0.00 C ATOM 503 OD1 ASN A 31 2.164 -3.347 16.195 1.00 0.00 O ATOM 504 ND2 ASN A 31 2.706 -1.658 14.808 1.00 0.00 N ATOM 0 H ASN A 31 2.576 -3.188 11.210 1.00 0.00 H new ATOM 0 HA ASN A 31 3.428 -4.559 13.672 1.00 0.00 H new ATOM 0 HB2 ASN A 31 1.009 -2.810 13.266 1.00 0.00 H new ATOM 0 HB3 ASN A 31 0.811 -4.273 14.211 1.00 0.00 H new ATOM 0 HD21 ASN A 31 3.148 -1.113 15.549 1.00 0.00 H new ATOM 0 HD22 ASN A 31 2.676 -1.294 13.856 1.00 0.00 H new ATOM 511 N GLU A 32 2.712 -6.006 11.398 1.00 0.00 N ATOM 512 CA GLU A 32 2.220 -7.148 10.646 1.00 0.00 C ATOM 513 C GLU A 32 1.931 -8.319 11.587 1.00 0.00 C ATOM 514 O GLU A 32 1.610 -8.115 12.757 1.00 0.00 O ATOM 515 CB GLU A 32 3.212 -7.553 9.554 1.00 0.00 C ATOM 516 CG GLU A 32 4.453 -8.213 10.158 1.00 0.00 C ATOM 517 CD GLU A 32 4.807 -9.501 9.411 1.00 0.00 C ATOM 518 OE1 GLU A 32 4.984 -9.410 8.177 1.00 0.00 O ATOM 519 OE2 GLU A 32 4.894 -10.546 10.091 1.00 0.00 O ATOM 0 H GLU A 32 3.658 -5.711 11.156 1.00 0.00 H new ATOM 0 HA GLU A 32 1.288 -6.863 10.157 1.00 0.00 H new ATOM 0 HB2 GLU A 32 2.732 -8.241 8.859 1.00 0.00 H new ATOM 0 HB3 GLU A 32 3.506 -6.674 8.981 1.00 0.00 H new ATOM 0 HG2 GLU A 32 5.294 -7.521 10.116 1.00 0.00 H new ATOM 0 HG3 GLU A 32 4.275 -8.436 11.210 1.00 0.00 H new ATOM 526 N ASP A 33 2.055 -9.520 11.041 1.00 0.00 N ATOM 527 CA ASP A 33 1.812 -10.724 11.817 1.00 0.00 C ATOM 528 C ASP A 33 2.539 -11.901 11.165 1.00 0.00 C ATOM 529 O ASP A 33 2.793 -11.889 9.962 1.00 0.00 O ATOM 530 CB ASP A 33 0.319 -11.057 11.863 1.00 0.00 C ATOM 531 CG ASP A 33 -0.170 -11.655 13.184 1.00 0.00 C ATOM 532 OD1 ASP A 33 0.408 -11.278 14.226 1.00 0.00 O ATOM 533 OD2 ASP A 33 -1.110 -12.476 13.121 1.00 0.00 O ATOM 0 H ASP A 33 2.321 -9.685 10.070 1.00 0.00 H new ATOM 0 HA ASP A 33 2.175 -10.551 12.830 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -0.247 -10.148 11.662 1.00 0.00 H new ATOM 0 HB3 ASP A 33 0.093 -11.757 11.059 1.00 0.00 H new ATOM 538 N LYS A 34 2.853 -12.890 11.989 1.00 0.00 N ATOM 539 CA LYS A 34 3.546 -14.073 11.507 1.00 0.00 C ATOM 540 C LYS A 34 2.552 -14.980 10.779 1.00 0.00 C ATOM 541 O LYS A 34 2.823 -15.441 9.671 1.00 0.00 O ATOM 542 CB LYS A 34 4.284 -14.766 12.655 1.00 0.00 C ATOM 543 CG LYS A 34 4.648 -16.205 12.283 1.00 0.00 C ATOM 544 CD LYS A 34 6.077 -16.539 12.715 1.00 0.00 C ATOM 545 CE LYS A 34 6.843 -17.231 11.587 1.00 0.00 C ATOM 546 NZ LYS A 34 7.124 -16.278 10.490 1.00 0.00 N ATOM 0 H LYS A 34 2.640 -12.897 12.987 1.00 0.00 H new ATOM 0 HA LYS A 34 4.314 -13.797 10.785 1.00 0.00 H new ATOM 0 HB2 LYS A 34 5.189 -14.210 12.899 1.00 0.00 H new ATOM 0 HB3 LYS A 34 3.659 -14.764 13.548 1.00 0.00 H new ATOM 0 HG2 LYS A 34 3.950 -16.895 12.758 1.00 0.00 H new ATOM 0 HG3 LYS A 34 4.548 -16.342 11.206 1.00 0.00 H new ATOM 0 HD2 LYS A 34 6.596 -15.625 13.005 1.00 0.00 H new ATOM 0 HD3 LYS A 34 6.054 -17.184 13.593 1.00 0.00 H new ATOM 0 HE2 LYS A 34 7.778 -17.638 11.971 1.00 0.00 H new ATOM 0 HE3 LYS A 34 6.262 -18.071 11.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 7.885 -16.655 9.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 6.266 -16.144 9.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 7.420 -15.365 10.891 1.00 0.00 H new ATOM 560 N ARG A 35 1.422 -15.210 11.431 1.00 0.00 N ATOM 561 CA ARG A 35 0.386 -16.054 10.859 1.00 0.00 C ATOM 562 C ARG A 35 -0.532 -15.228 9.955 1.00 0.00 C ATOM 563 O ARG A 35 -1.538 -15.733 9.459 1.00 0.00 O ATOM 564 CB ARG A 35 -0.450 -16.717 11.955 1.00 0.00 C ATOM 565 CG ARG A 35 0.117 -18.090 12.323 1.00 0.00 C ATOM 566 CD ARG A 35 -0.453 -19.181 11.414 1.00 0.00 C ATOM 567 NE ARG A 35 0.402 -20.387 11.474 1.00 0.00 N ATOM 568 CZ ARG A 35 0.160 -21.514 10.790 1.00 0.00 C ATOM 569 NH1 ARG A 35 -0.911 -21.595 9.990 1.00 0.00 N ATOM 570 NH2 ARG A 35 0.991 -22.559 10.905 1.00 0.00 N ATOM 0 H ARG A 35 1.201 -14.827 12.350 1.00 0.00 H new ATOM 0 HA ARG A 35 0.876 -16.831 10.272 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -0.469 -16.079 12.839 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -1.481 -16.824 11.617 1.00 0.00 H new ATOM 0 HG2 ARG A 35 1.204 -18.073 12.239 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -0.119 -18.318 13.362 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -1.468 -19.429 11.723 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -0.512 -18.817 10.388 1.00 0.00 H new ATOM 0 HE ARG A 35 1.227 -20.359 12.073 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -1.543 -20.799 9.901 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -1.095 -22.453 9.470 1.00 0.00 H new ATOM 0 HH21 ARG A 35 1.808 -22.497 11.513 1.00 0.00 H new ATOM 0 HH22 ARG A 35 0.807 -23.417 10.385 1.00 0.00 H new ATOM 584 N LYS A 36 -0.152 -13.973 9.768 1.00 0.00 N ATOM 585 CA LYS A 36 -0.928 -13.073 8.933 1.00 0.00 C ATOM 586 C LYS A 36 -0.104 -11.818 8.639 1.00 0.00 C ATOM 587 O LYS A 36 -0.476 -10.718 9.043 1.00 0.00 O ATOM 588 CB LYS A 36 -2.285 -12.780 9.577 1.00 0.00 C ATOM 589 CG LYS A 36 -3.426 -13.019 8.585 1.00 0.00 C ATOM 590 CD LYS A 36 -4.785 -12.918 9.279 1.00 0.00 C ATOM 591 CE LYS A 36 -5.071 -11.480 9.719 1.00 0.00 C ATOM 592 NZ LYS A 36 -6.112 -10.872 8.861 1.00 0.00 N ATOM 0 H LYS A 36 0.683 -13.558 10.181 1.00 0.00 H new ATOM 0 HA LYS A 36 -1.150 -13.541 7.974 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -2.421 -13.415 10.453 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -2.311 -11.747 9.925 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -3.370 -12.288 7.778 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -3.318 -14.004 8.131 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -5.569 -13.258 8.602 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -4.804 -13.578 10.146 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -5.397 -11.470 10.759 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -4.157 -10.889 9.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -6.293 -9.897 9.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -5.787 -10.864 7.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -6.989 -11.427 8.932 1.00 0.00 H new ATOM 606 N PRO A 37 1.030 -12.031 7.918 1.00 0.00 N ATOM 607 CA PRO A 37 1.910 -10.930 7.565 1.00 0.00 C ATOM 608 C PRO A 37 1.310 -10.088 6.438 1.00 0.00 C ATOM 609 O PRO A 37 0.481 -10.573 5.670 1.00 0.00 O ATOM 610 CB PRO A 37 3.226 -11.586 7.181 1.00 0.00 C ATOM 611 CG PRO A 37 2.896 -13.040 6.886 1.00 0.00 C ATOM 612 CD PRO A 37 1.502 -13.320 7.422 1.00 0.00 C ATOM 0 HA PRO A 37 2.055 -10.228 8.386 1.00 0.00 H new ATOM 0 HB2 PRO A 37 3.665 -11.100 6.309 1.00 0.00 H new ATOM 0 HB3 PRO A 37 3.953 -11.507 7.990 1.00 0.00 H new ATOM 0 HG2 PRO A 37 2.938 -13.231 5.814 1.00 0.00 H new ATOM 0 HG3 PRO A 37 3.625 -13.700 7.356 1.00 0.00 H new ATOM 0 HD2 PRO A 37 0.848 -13.707 6.641 1.00 0.00 H new ATOM 0 HD3 PRO A 37 1.526 -14.066 8.217 1.00 0.00 H new ATOM 620 N TYR A 38 1.753 -8.841 6.374 1.00 0.00 N ATOM 621 CA TYR A 38 1.270 -7.927 5.353 1.00 0.00 C ATOM 622 C TYR A 38 2.083 -8.066 4.064 1.00 0.00 C ATOM 623 O TYR A 38 2.683 -7.099 3.597 1.00 0.00 O ATOM 624 CB TYR A 38 1.470 -6.519 5.918 1.00 0.00 C ATOM 625 CG TYR A 38 0.422 -6.110 6.955 1.00 0.00 C ATOM 626 CD1 TYR A 38 -0.915 -6.096 6.615 1.00 0.00 C ATOM 627 CD2 TYR A 38 0.814 -5.756 8.230 1.00 0.00 C ATOM 628 CE1 TYR A 38 -1.902 -5.711 7.591 1.00 0.00 C ATOM 629 CE2 TYR A 38 -0.172 -5.371 9.206 1.00 0.00 C ATOM 630 CZ TYR A 38 -1.482 -5.367 8.838 1.00 0.00 C ATOM 631 OH TYR A 38 -2.413 -5.004 9.760 1.00 0.00 O ATOM 0 H TYR A 38 2.441 -8.442 7.013 1.00 0.00 H new ATOM 0 HA TYR A 38 0.228 -8.137 5.112 1.00 0.00 H new ATOM 0 HB2 TYR A 38 2.459 -6.458 6.372 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.452 -5.803 5.096 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -1.222 -6.374 5.617 1.00 0.00 H new ATOM 0 HD2 TYR A 38 1.861 -5.768 8.496 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -2.952 -5.696 7.338 1.00 0.00 H new ATOM 0 HE2 TYR A 38 0.121 -5.092 10.207 1.00 0.00 H new ATOM 0 HH TYR A 38 -1.968 -4.786 10.606 1.00 0.00 H new ATOM 641 N SER A 39 2.075 -9.277 3.525 1.00 0.00 N ATOM 642 CA SER A 39 2.804 -9.555 2.299 1.00 0.00 C ATOM 643 C SER A 39 2.187 -8.776 1.136 1.00 0.00 C ATOM 644 O SER A 39 1.101 -8.214 1.267 1.00 0.00 O ATOM 645 CB SER A 39 2.811 -11.053 1.991 1.00 0.00 C ATOM 646 OG SER A 39 3.014 -11.839 3.162 1.00 0.00 O ATOM 0 H SER A 39 1.575 -10.076 3.915 1.00 0.00 H new ATOM 0 HA SER A 39 3.837 -9.235 2.434 1.00 0.00 H new ATOM 0 HB2 SER A 39 1.865 -11.332 1.527 1.00 0.00 H new ATOM 0 HB3 SER A 39 3.597 -11.271 1.268 1.00 0.00 H new ATOM 0 HG SER A 39 3.010 -12.789 2.923 1.00 0.00 H new ATOM 652 N ASP A 40 2.907 -8.769 0.023 1.00 0.00 N ATOM 653 CA ASP A 40 2.444 -8.068 -1.163 1.00 0.00 C ATOM 654 C ASP A 40 0.960 -8.370 -1.381 1.00 0.00 C ATOM 655 O ASP A 40 0.205 -7.504 -1.822 1.00 0.00 O ATOM 656 CB ASP A 40 3.207 -8.527 -2.407 1.00 0.00 C ATOM 657 CG ASP A 40 3.470 -10.032 -2.486 1.00 0.00 C ATOM 658 OD1 ASP A 40 4.026 -10.564 -1.500 1.00 0.00 O ATOM 659 OD2 ASP A 40 3.108 -10.617 -3.529 1.00 0.00 O ATOM 0 H ASP A 40 3.807 -9.237 -0.082 1.00 0.00 H new ATOM 0 HA ASP A 40 2.610 -7.002 -1.011 1.00 0.00 H new ATOM 0 HB2 ASP A 40 2.646 -8.225 -3.291 1.00 0.00 H new ATOM 0 HB3 ASP A 40 4.163 -8.004 -2.442 1.00 0.00 H new ATOM 664 N GLN A 41 0.585 -9.600 -1.062 1.00 0.00 N ATOM 665 CA GLN A 41 -0.795 -10.027 -1.218 1.00 0.00 C ATOM 666 C GLN A 41 -1.703 -9.239 -0.271 1.00 0.00 C ATOM 667 O GLN A 41 -2.739 -8.722 -0.687 1.00 0.00 O ATOM 668 CB GLN A 41 -0.933 -11.532 -0.985 1.00 0.00 C ATOM 669 CG GLN A 41 -2.154 -11.843 -0.116 1.00 0.00 C ATOM 670 CD GLN A 41 -3.452 -11.514 -0.857 1.00 0.00 C ATOM 671 OE1 GLN A 41 -3.464 -11.229 -2.044 1.00 0.00 O ATOM 672 NE2 GLN A 41 -4.540 -11.569 -0.094 1.00 0.00 N ATOM 0 H GLN A 41 1.214 -10.315 -0.696 1.00 0.00 H new ATOM 0 HA GLN A 41 -1.106 -9.822 -2.243 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -1.024 -12.045 -1.942 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -0.033 -11.913 -0.503 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -2.147 -12.897 0.163 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -2.103 -11.268 0.809 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -4.459 -11.814 0.893 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -5.455 -11.366 -0.496 1.00 0.00 H new ATOM 681 N GLU A 42 -1.283 -9.174 0.983 1.00 0.00 N ATOM 682 CA GLU A 42 -2.045 -8.458 1.992 1.00 0.00 C ATOM 683 C GLU A 42 -2.160 -6.978 1.621 1.00 0.00 C ATOM 684 O GLU A 42 -3.237 -6.507 1.259 1.00 0.00 O ATOM 685 CB GLU A 42 -1.418 -8.629 3.377 1.00 0.00 C ATOM 686 CG GLU A 42 -2.491 -8.883 4.438 1.00 0.00 C ATOM 687 CD GLU A 42 -3.391 -10.054 4.038 1.00 0.00 C ATOM 688 OE1 GLU A 42 -2.850 -11.176 3.935 1.00 0.00 O ATOM 689 OE2 GLU A 42 -4.600 -9.801 3.844 1.00 0.00 O ATOM 0 H GLU A 42 -0.424 -9.606 1.324 1.00 0.00 H new ATOM 0 HA GLU A 42 -3.049 -8.882 2.029 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -0.714 -9.461 3.361 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.850 -7.735 3.636 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -2.017 -9.095 5.396 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.094 -7.985 4.572 1.00 0.00 H new ATOM 696 N ILE A 43 -1.035 -6.287 1.723 1.00 0.00 N ATOM 697 CA ILE A 43 -0.996 -4.870 1.402 1.00 0.00 C ATOM 698 C ILE A 43 -1.803 -4.618 0.127 1.00 0.00 C ATOM 699 O ILE A 43 -2.606 -3.688 0.071 1.00 0.00 O ATOM 700 CB ILE A 43 0.451 -4.379 1.321 1.00 0.00 C ATOM 701 CG1 ILE A 43 0.849 -3.633 2.597 1.00 0.00 C ATOM 702 CG2 ILE A 43 0.673 -3.530 0.068 1.00 0.00 C ATOM 703 CD1 ILE A 43 2.282 -3.977 3.009 1.00 0.00 C ATOM 0 H ILE A 43 -0.143 -6.681 2.023 1.00 0.00 H new ATOM 0 HA ILE A 43 -1.463 -4.286 2.196 1.00 0.00 H new ATOM 0 HB ILE A 43 1.103 -5.249 1.240 1.00 0.00 H new ATOM 0 HG12 ILE A 43 0.761 -2.558 2.437 1.00 0.00 H new ATOM 0 HG13 ILE A 43 0.163 -3.892 3.403 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.709 -3.194 0.035 1.00 0.00 H new ATOM 0 HG22 ILE A 43 0.457 -4.126 -0.818 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.011 -2.664 0.093 1.00 0.00 H new ATOM 0 HD11 ILE A 43 2.540 -3.434 3.918 1.00 0.00 H new ATOM 0 HD12 ILE A 43 2.361 -5.049 3.192 1.00 0.00 H new ATOM 0 HD13 ILE A 43 2.968 -3.694 2.211 1.00 0.00 H new ATOM 715 N ALA A 44 -1.561 -5.462 -0.865 1.00 0.00 N ATOM 716 CA ALA A 44 -2.256 -5.342 -2.135 1.00 0.00 C ATOM 717 C ALA A 44 -3.765 -5.430 -1.897 1.00 0.00 C ATOM 718 O ALA A 44 -4.534 -4.670 -2.483 1.00 0.00 O ATOM 719 CB ALA A 44 -1.754 -6.422 -3.096 1.00 0.00 C ATOM 0 H ALA A 44 -0.893 -6.232 -0.815 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.051 -4.375 -2.594 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -2.275 -6.332 -4.049 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -0.683 -6.298 -3.255 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.946 -7.406 -2.669 1.00 0.00 H new ATOM 725 N ASN A 45 -4.142 -6.363 -1.036 1.00 0.00 N ATOM 726 CA ASN A 45 -5.545 -6.560 -0.713 1.00 0.00 C ATOM 727 C ASN A 45 -6.079 -5.316 0.001 1.00 0.00 C ATOM 728 O ASN A 45 -7.213 -4.901 -0.232 1.00 0.00 O ATOM 729 CB ASN A 45 -5.733 -7.758 0.220 1.00 0.00 C ATOM 730 CG ASN A 45 -5.985 -9.039 -0.578 1.00 0.00 C ATOM 731 OD1 ASN A 45 -7.015 -9.682 -0.461 1.00 0.00 O ATOM 732 ND2 ASN A 45 -4.988 -9.374 -1.392 1.00 0.00 N ATOM 0 H ASN A 45 -3.501 -6.991 -0.552 1.00 0.00 H new ATOM 0 HA ASN A 45 -6.083 -6.740 -1.644 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -4.847 -7.881 0.843 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -6.571 -7.573 0.892 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -5.059 -10.214 -1.966 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -4.153 -8.791 -1.442 1.00 0.00 H new ATOM 739 N ILE A 46 -5.236 -4.757 0.857 1.00 0.00 N ATOM 740 CA ILE A 46 -5.609 -3.570 1.607 1.00 0.00 C ATOM 741 C ILE A 46 -6.148 -2.511 0.642 1.00 0.00 C ATOM 742 O ILE A 46 -7.159 -1.869 0.921 1.00 0.00 O ATOM 743 CB ILE A 46 -4.435 -3.084 2.460 1.00 0.00 C ATOM 744 CG1 ILE A 46 -4.364 -3.851 3.781 1.00 0.00 C ATOM 745 CG2 ILE A 46 -4.505 -1.571 2.678 1.00 0.00 C ATOM 746 CD1 ILE A 46 -3.252 -3.300 4.676 1.00 0.00 C ATOM 0 H ILE A 46 -4.296 -5.104 1.048 1.00 0.00 H new ATOM 0 HA ILE A 46 -6.410 -3.799 2.310 1.00 0.00 H new ATOM 0 HB ILE A 46 -3.511 -3.288 1.919 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -5.321 -3.780 4.298 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -4.186 -4.908 3.583 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -3.659 -1.252 3.287 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -4.471 -1.063 1.714 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -5.435 -1.320 3.188 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -3.223 -3.863 5.609 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -2.294 -3.394 4.165 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -3.446 -2.249 4.892 1.00 0.00 H new ATOM 758 N LEU A 47 -5.448 -2.361 -0.473 1.00 0.00 N ATOM 759 CA LEU A 47 -5.843 -1.392 -1.480 1.00 0.00 C ATOM 760 C LEU A 47 -7.315 -1.606 -1.838 1.00 0.00 C ATOM 761 O LEU A 47 -8.041 -0.646 -2.093 1.00 0.00 O ATOM 762 CB LEU A 47 -4.902 -1.457 -2.685 1.00 0.00 C ATOM 763 CG LEU A 47 -5.394 -2.280 -3.877 1.00 0.00 C ATOM 764 CD1 LEU A 47 -6.228 -1.422 -4.830 1.00 0.00 C ATOM 765 CD2 LEU A 47 -4.225 -2.961 -4.592 1.00 0.00 C ATOM 0 H LEU A 47 -4.609 -2.895 -0.701 1.00 0.00 H new ATOM 0 HA LEU A 47 -5.753 -0.379 -1.089 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -4.710 -0.440 -3.026 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -3.948 -1.868 -2.354 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.046 -3.069 -3.502 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -6.565 -2.032 -5.668 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -7.093 -1.025 -4.299 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -5.621 -0.597 -5.203 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.602 -3.540 -5.435 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -3.529 -2.204 -4.953 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -3.711 -3.625 -3.897 1.00 0.00 H new ATOM 777 N LYS A 48 -7.712 -2.870 -1.844 1.00 0.00 N ATOM 778 CA LYS A 48 -9.084 -3.221 -2.167 1.00 0.00 C ATOM 779 C LYS A 48 -10.031 -2.495 -1.209 1.00 0.00 C ATOM 780 O LYS A 48 -11.227 -2.387 -1.475 1.00 0.00 O ATOM 781 CB LYS A 48 -9.261 -4.741 -2.171 1.00 0.00 C ATOM 782 CG LYS A 48 -10.250 -5.175 -3.255 1.00 0.00 C ATOM 783 CD LYS A 48 -9.535 -5.921 -4.383 1.00 0.00 C ATOM 784 CE LYS A 48 -10.218 -7.257 -4.677 1.00 0.00 C ATOM 785 NZ LYS A 48 -9.212 -8.333 -4.825 1.00 0.00 N ATOM 0 H LYS A 48 -7.108 -3.663 -1.630 1.00 0.00 H new ATOM 0 HA LYS A 48 -9.334 -2.891 -3.175 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.298 -5.222 -2.339 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.617 -5.072 -1.195 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -11.015 -5.816 -2.818 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -10.760 -4.300 -3.659 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -9.528 -5.306 -5.283 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -8.495 -6.094 -4.107 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -10.908 -7.505 -3.870 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -10.810 -7.177 -5.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -9.693 -9.233 -5.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -8.570 -8.102 -5.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -8.665 -8.420 -3.945 1.00 0.00 H new ATOM 799 N GLU A 49 -9.460 -2.016 -0.113 1.00 0.00 N ATOM 800 CA GLU A 49 -10.237 -1.303 0.886 1.00 0.00 C ATOM 801 C GLU A 49 -10.798 -0.007 0.296 1.00 0.00 C ATOM 802 O GLU A 49 -11.487 0.745 0.984 1.00 0.00 O ATOM 803 CB GLU A 49 -9.399 -1.020 2.134 1.00 0.00 C ATOM 804 CG GLU A 49 -8.459 0.165 1.906 1.00 0.00 C ATOM 805 CD GLU A 49 -8.958 1.410 2.643 1.00 0.00 C ATOM 806 OE1 GLU A 49 -10.178 1.462 2.907 1.00 0.00 O ATOM 807 OE2 GLU A 49 -8.107 2.281 2.925 1.00 0.00 O ATOM 0 H GLU A 49 -8.468 -2.108 0.105 1.00 0.00 H new ATOM 0 HA GLU A 49 -11.073 -1.935 1.186 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -10.056 -0.810 2.978 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -8.818 -1.905 2.395 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -7.457 -0.089 2.251 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -8.385 0.375 0.839 1.00 0.00 H new ATOM 814 N LYS A 50 -10.481 0.215 -0.971 1.00 0.00 N ATOM 815 CA LYS A 50 -10.944 1.407 -1.661 1.00 0.00 C ATOM 816 C LYS A 50 -10.230 2.632 -1.087 1.00 0.00 C ATOM 817 O LYS A 50 -10.860 3.655 -0.821 1.00 0.00 O ATOM 818 CB LYS A 50 -12.470 1.501 -1.602 1.00 0.00 C ATOM 819 CG LYS A 50 -12.952 2.883 -2.049 1.00 0.00 C ATOM 820 CD LYS A 50 -14.226 2.774 -2.889 1.00 0.00 C ATOM 821 CE LYS A 50 -13.901 2.795 -4.383 1.00 0.00 C ATOM 822 NZ LYS A 50 -14.523 3.971 -5.033 1.00 0.00 N ATOM 0 H LYS A 50 -9.909 -0.411 -1.538 1.00 0.00 H new ATOM 0 HA LYS A 50 -10.691 1.357 -2.720 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -12.910 0.735 -2.240 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -12.811 1.304 -0.586 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -13.141 3.507 -1.175 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -12.171 3.375 -2.629 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -14.752 1.852 -2.641 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -14.897 3.599 -2.647 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -12.821 2.822 -4.526 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -14.261 1.880 -4.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -14.292 3.970 -6.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -15.555 3.929 -4.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -14.159 4.842 -4.596 1.00 0.00 H new ATOM 836 N GLY A 51 -8.924 2.489 -0.913 1.00 0.00 N ATOM 837 CA GLY A 51 -8.117 3.572 -0.377 1.00 0.00 C ATOM 838 C GLY A 51 -7.106 4.067 -1.412 1.00 0.00 C ATOM 839 O GLY A 51 -7.397 4.982 -2.181 1.00 0.00 O ATOM 0 H GLY A 51 -8.405 1.639 -1.134 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -8.763 4.395 -0.072 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -7.592 3.232 0.515 1.00 0.00 H new ATOM 843 N PHE A 52 -5.938 3.442 -1.398 1.00 0.00 N ATOM 844 CA PHE A 52 -4.882 3.808 -2.326 1.00 0.00 C ATOM 845 C PHE A 52 -5.036 3.063 -3.654 1.00 0.00 C ATOM 846 O PHE A 52 -5.882 2.179 -3.779 1.00 0.00 O ATOM 847 CB PHE A 52 -3.557 3.401 -1.678 1.00 0.00 C ATOM 848 CG PHE A 52 -3.392 3.890 -0.238 1.00 0.00 C ATOM 849 CD1 PHE A 52 -3.252 5.219 0.017 1.00 0.00 C ATOM 850 CD2 PHE A 52 -3.387 2.997 0.787 1.00 0.00 C ATOM 851 CE1 PHE A 52 -3.100 5.673 1.354 1.00 0.00 C ATOM 852 CE2 PHE A 52 -3.235 3.450 2.124 1.00 0.00 C ATOM 853 CZ PHE A 52 -3.094 4.779 2.379 1.00 0.00 C ATOM 0 H PHE A 52 -5.700 2.684 -0.758 1.00 0.00 H new ATOM 0 HA PHE A 52 -4.923 4.877 -2.533 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -3.476 2.314 -1.693 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -2.736 3.790 -2.279 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -3.256 5.929 -0.797 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -3.499 1.942 0.584 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -2.989 6.728 1.557 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -3.231 2.740 2.938 1.00 0.00 H new ATOM 0 HZ PHE A 52 -2.977 5.124 3.396 1.00 0.00 H new ATOM 863 N LYS A 53 -4.206 3.448 -4.612 1.00 0.00 N ATOM 864 CA LYS A 53 -4.240 2.828 -5.925 1.00 0.00 C ATOM 865 C LYS A 53 -2.960 2.015 -6.134 1.00 0.00 C ATOM 866 O LYS A 53 -2.013 2.491 -6.758 1.00 0.00 O ATOM 867 CB LYS A 53 -4.482 3.881 -7.009 1.00 0.00 C ATOM 868 CG LYS A 53 -5.862 3.703 -7.647 1.00 0.00 C ATOM 869 CD LYS A 53 -5.753 2.990 -8.997 1.00 0.00 C ATOM 870 CE LYS A 53 -7.136 2.601 -9.523 1.00 0.00 C ATOM 871 NZ LYS A 53 -7.584 1.329 -8.913 1.00 0.00 N ATOM 0 H LYS A 53 -3.506 4.182 -4.505 1.00 0.00 H new ATOM 0 HA LYS A 53 -5.076 2.132 -5.996 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -4.403 4.878 -6.576 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -3.710 3.804 -7.775 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -6.504 3.129 -6.979 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -6.332 4.677 -7.783 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -5.256 3.640 -9.717 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -5.135 2.098 -8.893 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -7.852 3.391 -9.298 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -7.104 2.499 -10.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -8.524 1.080 -9.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -6.909 0.574 -9.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -7.634 1.438 -7.880 1.00 0.00 H new ATOM 885 N VAL A 54 -2.974 0.803 -5.599 1.00 0.00 N ATOM 886 CA VAL A 54 -1.827 -0.081 -5.719 1.00 0.00 C ATOM 887 C VAL A 54 -2.177 -1.241 -6.653 1.00 0.00 C ATOM 888 O VAL A 54 -2.993 -1.087 -7.560 1.00 0.00 O ATOM 889 CB VAL A 54 -1.377 -0.545 -4.332 1.00 0.00 C ATOM 890 CG1 VAL A 54 0.134 -0.784 -4.297 1.00 0.00 C ATOM 891 CG2 VAL A 54 -1.799 0.456 -3.255 1.00 0.00 C ATOM 0 H VAL A 54 -3.761 0.412 -5.081 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.982 0.448 -6.161 1.00 0.00 H new ATOM 0 HB VAL A 54 -1.871 -1.493 -4.120 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.427 -1.113 -3.300 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.398 -1.551 -5.025 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.655 0.142 -4.541 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -1.467 0.102 -2.279 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.347 1.426 -3.462 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -2.885 0.554 -3.255 1.00 0.00 H new ATOM 901 N ALA A 55 -1.542 -2.375 -6.399 1.00 0.00 N ATOM 902 CA ALA A 55 -1.776 -3.561 -7.207 1.00 0.00 C ATOM 903 C ALA A 55 -0.606 -4.531 -7.032 1.00 0.00 C ATOM 904 O ALA A 55 0.544 -4.109 -6.924 1.00 0.00 O ATOM 905 CB ALA A 55 -1.981 -3.152 -8.667 1.00 0.00 C ATOM 0 H ALA A 55 -0.866 -2.499 -5.646 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.681 -4.074 -6.882 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -2.156 -4.041 -9.273 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -2.841 -2.487 -8.741 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -1.091 -2.636 -9.029 1.00 0.00 H new ATOM 911 N ARG A 56 -0.940 -5.813 -7.009 1.00 0.00 N ATOM 912 CA ARG A 56 0.069 -6.846 -6.849 1.00 0.00 C ATOM 913 C ARG A 56 1.378 -6.418 -7.515 1.00 0.00 C ATOM 914 O ARG A 56 2.451 -6.563 -6.932 1.00 0.00 O ATOM 915 CB ARG A 56 -0.397 -8.170 -7.460 1.00 0.00 C ATOM 916 CG ARG A 56 -1.543 -8.775 -6.648 1.00 0.00 C ATOM 917 CD ARG A 56 -1.043 -9.915 -5.758 1.00 0.00 C ATOM 918 NE ARG A 56 -1.159 -11.205 -6.474 1.00 0.00 N ATOM 919 CZ ARG A 56 -2.282 -11.933 -6.533 1.00 0.00 C ATOM 920 NH1 ARG A 56 -3.392 -11.502 -5.920 1.00 0.00 N ATOM 921 NH2 ARG A 56 -2.295 -13.091 -7.206 1.00 0.00 N ATOM 0 H ARG A 56 -1.895 -6.160 -7.098 1.00 0.00 H new ATOM 0 HA ARG A 56 0.231 -6.988 -5.781 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -0.722 -8.006 -8.488 1.00 0.00 H new ATOM 0 HB3 ARG A 56 0.437 -8.871 -7.497 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -2.004 -8.003 -6.032 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -2.314 -9.147 -7.322 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -0.005 -9.738 -5.476 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -1.623 -9.948 -4.836 1.00 0.00 H new ATOM 0 HE ARG A 56 -0.332 -11.562 -6.953 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -3.382 -10.620 -5.408 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -4.247 -12.056 -5.965 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -1.450 -13.419 -7.674 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -3.150 -13.645 -7.251 1.00 0.00 H new ATOM 935 N ARG A 57 1.246 -5.898 -8.727 1.00 0.00 N ATOM 936 CA ARG A 57 2.406 -5.448 -9.478 1.00 0.00 C ATOM 937 C ARG A 57 3.130 -4.335 -8.718 1.00 0.00 C ATOM 938 O ARG A 57 4.324 -4.442 -8.442 1.00 0.00 O ATOM 939 CB ARG A 57 2.000 -4.932 -10.860 1.00 0.00 C ATOM 940 CG ARG A 57 2.989 -5.397 -11.930 1.00 0.00 C ATOM 941 CD ARG A 57 3.659 -4.202 -12.613 1.00 0.00 C ATOM 942 NE ARG A 57 5.127 -4.280 -12.442 1.00 0.00 N ATOM 943 CZ ARG A 57 6.011 -3.685 -13.256 1.00 0.00 C ATOM 944 NH1 ARG A 57 5.580 -2.966 -14.301 1.00 0.00 N ATOM 945 NH2 ARG A 57 7.325 -3.810 -13.024 1.00 0.00 N ATOM 0 H ARG A 57 0.354 -5.778 -9.207 1.00 0.00 H new ATOM 0 HA ARG A 57 3.073 -6.301 -9.603 1.00 0.00 H new ATOM 0 HB2 ARG A 57 0.999 -5.287 -11.105 1.00 0.00 H new ATOM 0 HB3 ARG A 57 1.957 -3.843 -10.848 1.00 0.00 H new ATOM 0 HG2 ARG A 57 3.748 -6.034 -11.476 1.00 0.00 H new ATOM 0 HG3 ARG A 57 2.469 -6.001 -12.673 1.00 0.00 H new ATOM 0 HD2 ARG A 57 3.408 -4.191 -13.674 1.00 0.00 H new ATOM 0 HD3 ARG A 57 3.284 -3.272 -12.187 1.00 0.00 H new ATOM 0 HE ARG A 57 5.489 -4.820 -11.656 1.00 0.00 H new ATOM 0 HH11 ARG A 57 4.580 -2.871 -14.477 1.00 0.00 H new ATOM 0 HH12 ARG A 57 6.252 -2.513 -14.920 1.00 0.00 H new ATOM 0 HH21 ARG A 57 7.653 -4.358 -12.228 1.00 0.00 H new ATOM 0 HH22 ARG A 57 7.998 -3.357 -13.643 1.00 0.00 H new ATOM 959 N THR A 58 2.378 -3.291 -8.402 1.00 0.00 N ATOM 960 CA THR A 58 2.934 -2.159 -7.680 1.00 0.00 C ATOM 961 C THR A 58 3.472 -2.607 -6.319 1.00 0.00 C ATOM 962 O THR A 58 4.552 -2.187 -5.906 1.00 0.00 O ATOM 963 CB THR A 58 1.850 -1.083 -7.581 1.00 0.00 C ATOM 964 OG1 THR A 58 2.047 -0.283 -8.743 1.00 0.00 O ATOM 965 CG2 THR A 58 2.089 -0.117 -6.419 1.00 0.00 C ATOM 0 H THR A 58 1.388 -3.205 -8.633 1.00 0.00 H new ATOM 0 HA THR A 58 3.788 -1.733 -8.208 1.00 0.00 H new ATOM 0 HB THR A 58 0.876 -1.559 -7.464 1.00 0.00 H new ATOM 0 HG1 THR A 58 1.384 0.439 -8.759 1.00 0.00 H new ATOM 0 HG21 THR A 58 1.292 0.626 -6.394 1.00 0.00 H new ATOM 0 HG22 THR A 58 2.098 -0.672 -5.481 1.00 0.00 H new ATOM 0 HG23 THR A 58 3.048 0.384 -6.554 1.00 0.00 H new ATOM 973 N VAL A 59 2.694 -3.453 -5.661 1.00 0.00 N ATOM 974 CA VAL A 59 3.079 -3.962 -4.355 1.00 0.00 C ATOM 975 C VAL A 59 4.370 -4.773 -4.489 1.00 0.00 C ATOM 976 O VAL A 59 5.275 -4.647 -3.665 1.00 0.00 O ATOM 977 CB VAL A 59 1.929 -4.767 -3.748 1.00 0.00 C ATOM 978 CG1 VAL A 59 2.100 -4.911 -2.234 1.00 0.00 C ATOM 979 CG2 VAL A 59 0.578 -4.136 -4.089 1.00 0.00 C ATOM 0 H VAL A 59 1.799 -3.799 -6.007 1.00 0.00 H new ATOM 0 HA VAL A 59 3.281 -3.140 -3.669 1.00 0.00 H new ATOM 0 HB VAL A 59 1.952 -5.765 -4.185 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.269 -5.487 -1.827 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.037 -5.425 -2.021 1.00 0.00 H new ATOM 0 HG13 VAL A 59 2.116 -3.923 -1.774 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -0.222 -4.728 -3.645 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.540 -3.121 -3.694 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.452 -4.109 -5.171 1.00 0.00 H new ATOM 989 N ALA A 60 4.415 -5.587 -5.534 1.00 0.00 N ATOM 990 CA ALA A 60 5.580 -6.417 -5.787 1.00 0.00 C ATOM 991 C ALA A 60 6.824 -5.531 -5.870 1.00 0.00 C ATOM 992 O ALA A 60 7.875 -5.878 -5.334 1.00 0.00 O ATOM 993 CB ALA A 60 5.358 -7.234 -7.061 1.00 0.00 C ATOM 0 H ALA A 60 3.663 -5.689 -6.215 1.00 0.00 H new ATOM 0 HA ALA A 60 5.733 -7.123 -4.971 1.00 0.00 H new ATOM 0 HB1 ALA A 60 6.232 -7.857 -7.251 1.00 0.00 H new ATOM 0 HB2 ALA A 60 4.480 -7.868 -6.938 1.00 0.00 H new ATOM 0 HB3 ALA A 60 5.203 -6.560 -7.903 1.00 0.00 H new ATOM 999 N LYS A 61 6.664 -4.404 -6.548 1.00 0.00 N ATOM 1000 CA LYS A 61 7.761 -3.465 -6.709 1.00 0.00 C ATOM 1001 C LYS A 61 8.172 -2.927 -5.337 1.00 0.00 C ATOM 1002 O LYS A 61 9.360 -2.852 -5.026 1.00 0.00 O ATOM 1003 CB LYS A 61 7.388 -2.371 -7.712 1.00 0.00 C ATOM 1004 CG LYS A 61 8.557 -2.067 -8.652 1.00 0.00 C ATOM 1005 CD LYS A 61 8.113 -1.163 -9.803 1.00 0.00 C ATOM 1006 CE LYS A 61 8.269 0.313 -9.433 1.00 0.00 C ATOM 1007 NZ LYS A 61 6.945 0.969 -9.346 1.00 0.00 N ATOM 0 H LYS A 61 5.791 -4.120 -6.992 1.00 0.00 H new ATOM 0 HA LYS A 61 8.633 -3.967 -7.129 1.00 0.00 H new ATOM 0 HB2 LYS A 61 6.522 -2.686 -8.294 1.00 0.00 H new ATOM 0 HB3 LYS A 61 7.101 -1.465 -7.178 1.00 0.00 H new ATOM 0 HG2 LYS A 61 9.360 -1.585 -8.095 1.00 0.00 H new ATOM 0 HG3 LYS A 61 8.960 -2.998 -9.051 1.00 0.00 H new ATOM 0 HD2 LYS A 61 8.704 -1.383 -10.692 1.00 0.00 H new ATOM 0 HD3 LYS A 61 7.073 -1.371 -10.053 1.00 0.00 H new ATOM 0 HE2 LYS A 61 8.789 0.402 -8.479 1.00 0.00 H new ATOM 0 HE3 LYS A 61 8.883 0.818 -10.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 7.070 1.970 -9.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 6.463 0.901 -10.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 6.371 0.498 -8.618 1.00 0.00 H new ATOM 1021 N TYR A 62 7.167 -2.567 -4.553 1.00 0.00 N ATOM 1022 CA TYR A 62 7.409 -2.038 -3.221 1.00 0.00 C ATOM 1023 C TYR A 62 7.987 -3.114 -2.300 1.00 0.00 C ATOM 1024 O TYR A 62 8.901 -2.845 -1.523 1.00 0.00 O ATOM 1025 CB TYR A 62 6.043 -1.605 -2.685 1.00 0.00 C ATOM 1026 CG TYR A 62 5.613 -0.206 -3.133 1.00 0.00 C ATOM 1027 CD1 TYR A 62 5.613 0.119 -4.474 1.00 0.00 C ATOM 1028 CD2 TYR A 62 5.226 0.730 -2.196 1.00 0.00 C ATOM 1029 CE1 TYR A 62 5.208 1.435 -4.896 1.00 0.00 C ATOM 1030 CE2 TYR A 62 4.822 2.046 -2.617 1.00 0.00 C ATOM 1031 CZ TYR A 62 4.833 2.334 -3.946 1.00 0.00 C ATOM 1032 OH TYR A 62 4.451 3.577 -4.345 1.00 0.00 O ATOM 0 H TYR A 62 6.183 -2.631 -4.814 1.00 0.00 H new ATOM 0 HA TYR A 62 8.123 -1.216 -3.259 1.00 0.00 H new ATOM 0 HB2 TYR A 62 5.292 -2.326 -3.009 1.00 0.00 H new ATOM 0 HB3 TYR A 62 6.065 -1.636 -1.596 1.00 0.00 H new ATOM 0 HD1 TYR A 62 5.917 -0.614 -5.207 1.00 0.00 H new ATOM 0 HD2 TYR A 62 5.226 0.475 -1.146 1.00 0.00 H new ATOM 0 HE1 TYR A 62 5.202 1.702 -5.942 1.00 0.00 H new ATOM 0 HE2 TYR A 62 4.517 2.788 -1.894 1.00 0.00 H new ATOM 0 HH TYR A 62 4.965 4.251 -3.853 1.00 0.00 H new ATOM 1042 N ARG A 63 7.430 -4.311 -2.419 1.00 0.00 N ATOM 1043 CA ARG A 63 7.879 -5.429 -1.607 1.00 0.00 C ATOM 1044 C ARG A 63 9.406 -5.516 -1.622 1.00 0.00 C ATOM 1045 O ARG A 63 10.027 -5.768 -0.590 1.00 0.00 O ATOM 1046 CB ARG A 63 7.294 -6.748 -2.115 1.00 0.00 C ATOM 1047 CG ARG A 63 6.858 -7.639 -0.951 1.00 0.00 C ATOM 1048 CD ARG A 63 7.944 -8.659 -0.604 1.00 0.00 C ATOM 1049 NE ARG A 63 7.830 -9.841 -1.487 1.00 0.00 N ATOM 1050 CZ ARG A 63 8.543 -10.965 -1.335 1.00 0.00 C ATOM 1051 NH1 ARG A 63 9.427 -11.067 -0.333 1.00 0.00 N ATOM 1052 NH2 ARG A 63 8.373 -11.987 -2.185 1.00 0.00 N ATOM 0 H ARG A 63 6.672 -4.530 -3.065 1.00 0.00 H new ATOM 0 HA ARG A 63 7.532 -5.260 -0.588 1.00 0.00 H new ATOM 0 HB2 ARG A 63 6.441 -6.546 -2.762 1.00 0.00 H new ATOM 0 HB3 ARG A 63 8.036 -7.270 -2.719 1.00 0.00 H new ATOM 0 HG2 ARG A 63 6.641 -7.023 -0.078 1.00 0.00 H new ATOM 0 HG3 ARG A 63 5.936 -8.159 -1.212 1.00 0.00 H new ATOM 0 HD2 ARG A 63 8.929 -8.206 -0.715 1.00 0.00 H new ATOM 0 HD3 ARG A 63 7.849 -8.963 0.438 1.00 0.00 H new ATOM 0 HE ARG A 63 7.166 -9.797 -2.260 1.00 0.00 H new ATOM 0 HH11 ARG A 63 9.557 -10.289 0.314 1.00 0.00 H new ATOM 0 HH12 ARG A 63 9.970 -11.923 -0.217 1.00 0.00 H new ATOM 0 HH21 ARG A 63 7.701 -11.909 -2.948 1.00 0.00 H new ATOM 0 HH22 ARG A 63 8.916 -12.843 -2.069 1.00 0.00 H new ATOM 1066 N GLU A 64 9.968 -5.303 -2.802 1.00 0.00 N ATOM 1067 CA GLU A 64 11.411 -5.354 -2.965 1.00 0.00 C ATOM 1068 C GLU A 64 12.063 -4.141 -2.300 1.00 0.00 C ATOM 1069 O GLU A 64 13.134 -4.255 -1.705 1.00 0.00 O ATOM 1070 CB GLU A 64 11.793 -5.441 -4.444 1.00 0.00 C ATOM 1071 CG GLU A 64 12.895 -6.479 -4.665 1.00 0.00 C ATOM 1072 CD GLU A 64 12.460 -7.530 -5.689 1.00 0.00 C ATOM 1073 OE1 GLU A 64 11.670 -8.414 -5.294 1.00 0.00 O ATOM 1074 OE2 GLU A 64 12.928 -7.425 -6.843 1.00 0.00 O ATOM 0 H GLU A 64 9.450 -5.094 -3.655 1.00 0.00 H new ATOM 0 HA GLU A 64 11.781 -6.255 -2.475 1.00 0.00 H new ATOM 0 HB2 GLU A 64 10.916 -5.705 -5.035 1.00 0.00 H new ATOM 0 HB3 GLU A 64 12.131 -4.466 -4.794 1.00 0.00 H new ATOM 0 HG2 GLU A 64 13.803 -5.984 -5.010 1.00 0.00 H new ATOM 0 HG3 GLU A 64 13.137 -6.965 -3.720 1.00 0.00 H new ATOM 1081 N MET A 65 11.391 -3.006 -2.423 1.00 0.00 N ATOM 1082 CA MET A 65 11.892 -1.772 -1.841 1.00 0.00 C ATOM 1083 C MET A 65 11.867 -1.837 -0.312 1.00 0.00 C ATOM 1084 O MET A 65 12.551 -1.064 0.357 1.00 0.00 O ATOM 1085 CB MET A 65 11.034 -0.598 -2.316 1.00 0.00 C ATOM 1086 CG MET A 65 11.178 -0.390 -3.826 1.00 0.00 C ATOM 1087 SD MET A 65 10.597 1.237 -4.276 1.00 0.00 S ATOM 1088 CE MET A 65 9.202 0.796 -5.298 1.00 0.00 C ATOM 0 H MET A 65 10.503 -2.915 -2.917 1.00 0.00 H new ATOM 0 HA MET A 65 12.924 -1.633 -2.163 1.00 0.00 H new ATOM 0 HB2 MET A 65 9.989 -0.783 -2.069 1.00 0.00 H new ATOM 0 HB3 MET A 65 11.330 0.310 -1.790 1.00 0.00 H new ATOM 0 HG2 MET A 65 12.221 -0.507 -4.120 1.00 0.00 H new ATOM 0 HG3 MET A 65 10.609 -1.150 -4.362 1.00 0.00 H new ATOM 0 HE1 MET A 65 9.338 1.209 -6.297 1.00 0.00 H new ATOM 0 HE2 MET A 65 9.126 -0.290 -5.361 1.00 0.00 H new ATOM 0 HE3 MET A 65 8.289 1.199 -4.860 1.00 0.00 H new ATOM 1098 N LEU A 66 11.071 -2.766 0.196 1.00 0.00 N ATOM 1099 CA LEU A 66 10.947 -2.942 1.633 1.00 0.00 C ATOM 1100 C LEU A 66 10.598 -4.401 1.935 1.00 0.00 C ATOM 1101 O LEU A 66 11.406 -5.130 2.510 1.00 0.00 O ATOM 1102 CB LEU A 66 9.949 -1.938 2.211 1.00 0.00 C ATOM 1103 CG LEU A 66 8.761 -1.581 1.316 1.00 0.00 C ATOM 1104 CD1 LEU A 66 7.463 -1.520 2.124 1.00 0.00 C ATOM 1105 CD2 LEU A 66 9.021 -0.281 0.551 1.00 0.00 C ATOM 0 H LEU A 66 10.505 -3.405 -0.362 1.00 0.00 H new ATOM 0 HA LEU A 66 11.896 -2.732 2.126 1.00 0.00 H new ATOM 0 HB2 LEU A 66 9.564 -2.338 3.149 1.00 0.00 H new ATOM 0 HB3 LEU A 66 10.486 -1.020 2.452 1.00 0.00 H new ATOM 0 HG LEU A 66 8.642 -2.372 0.576 1.00 0.00 H new ATOM 0 HD11 LEU A 66 6.635 -1.264 1.463 1.00 0.00 H new ATOM 0 HD12 LEU A 66 7.274 -2.490 2.583 1.00 0.00 H new ATOM 0 HD13 LEU A 66 7.554 -0.762 2.902 1.00 0.00 H new ATOM 0 HD21 LEU A 66 8.161 -0.050 -0.078 1.00 0.00 H new ATOM 0 HD22 LEU A 66 9.181 0.532 1.259 1.00 0.00 H new ATOM 0 HD23 LEU A 66 9.906 -0.398 -0.074 1.00 0.00 H new ATOM 1117 N GLY A 67 9.394 -4.783 1.536 1.00 0.00 N ATOM 1118 CA GLY A 67 8.928 -6.141 1.758 1.00 0.00 C ATOM 1119 C GLY A 67 8.628 -6.383 3.238 1.00 0.00 C ATOM 1120 O GLY A 67 8.711 -7.513 3.715 1.00 0.00 O ATOM 0 H GLY A 67 8.727 -4.176 1.060 1.00 0.00 H new ATOM 0 HA2 GLY A 67 8.030 -6.322 1.167 1.00 0.00 H new ATOM 0 HA3 GLY A 67 9.683 -6.849 1.416 1.00 0.00 H new TER 1124 GLY A 67