USER MOD reduce.3.24.130724 H: found=0, std=0, add=631, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 631 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 26 GLN : amide:sc= 0.648 K(o=1.4,f=-0.16) USER MOD Set 1.2: A 47 SER OG : rot -32:sc= 0.767 USER MOD Set 2.1: A 42 ASN : amide:sc= 1.22 K(o=1.7,f=-4.3!) USER MOD Set 2.2: A 44 SER OG : rot 77:sc= 0.433 USER MOD Single : A 1 MET CE :methyl 168:sc= -0.0735 (180deg=-0.373) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 167:sc= 1.18 (180deg=1.12) USER MOD Single : A 7 GLN : amide:sc= -0.0847 X(o=-0.085,f=0) USER MOD Single : A 12 LYS NZ :NH3+ -154:sc= -0.13 (180deg=-0.62) USER MOD Single : A 15 LYS NZ :NH3+ -167:sc= -0.678 (180deg=-1!) USER MOD Single : A 19 LYS NZ :NH3+ -143:sc= 1.25 (180deg=0.731) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot -10:sc= 0.631 USER MOD Single : A 25 SER OG : rot 180:sc= -0.0589 USER MOD Single : A 34 GLN : amide:sc= -0.146 K(o=-0.15,f=-0.74) USER MOD Single : A 36 GLN :FLIP amide:sc=-0.00711 F(o=-0.65,f=-0.0071) USER MOD Single : A 40 ASN : amide:sc= -0.141 K(o=-0.14,f=-1) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 MET CE :methyl -138:sc= 0 (180deg=-1.45) USER MOD Single : A 51 THR OG1 : rot 77:sc= 0.873 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.0122 USER MOD Single : A 60 ASN : amide:sc= 0.838 K(o=0.84,f=-7.7!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 CYS SG : rot -26:sc= -3.19! USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 40:sc= 0.73 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -17.693 -7.121 18.070 1.00 10.84 N ATOM 2 CA MET A 1 -18.320 -5.845 18.509 1.00 10.16 C ATOM 3 C MET A 1 -19.216 -5.268 17.407 1.00 9.27 C ATOM 4 O MET A 1 -20.411 -5.568 17.354 1.00 9.22 O ATOM 5 CB MET A 1 -17.214 -4.839 18.901 1.00 10.59 C ATOM 6 CG MET A 1 -16.690 -5.020 20.322 1.00 11.48 C ATOM 7 SD MET A 1 -17.397 -3.837 21.494 1.00 11.94 S ATOM 8 CE MET A 1 -19.060 -4.479 21.680 1.00 12.56 C ATOM 0 H1 MET A 1 -17.091 -7.492 18.833 1.00 10.84 H new ATOM 0 H2 MET A 1 -18.436 -7.814 17.846 1.00 10.84 H new ATOM 0 H3 MET A 1 -17.113 -6.950 17.224 1.00 10.84 H new ATOM 0 HA MET A 1 -18.951 -6.039 19.377 1.00 10.16 H new ATOM 0 HB2 MET A 1 -16.383 -4.937 18.202 1.00 10.59 H new ATOM 0 HB3 MET A 1 -17.603 -3.826 18.794 1.00 10.59 H new ATOM 0 HG2 MET A 1 -16.912 -6.033 20.659 1.00 11.48 H new ATOM 0 HG3 MET A 1 -15.605 -4.915 20.319 1.00 11.48 H new ATOM 0 HE1 MET A 1 -19.547 -3.989 22.524 1.00 12.56 H new ATOM 0 HE2 MET A 1 -19.629 -4.285 20.770 1.00 12.56 H new ATOM 0 HE3 MET A 1 -19.017 -5.553 21.859 1.00 12.56 H new ATOM 20 N ARG A 2 -18.645 -4.414 16.549 1.00 8.82 N ATOM 21 CA ARG A 2 -19.394 -3.781 15.458 1.00 8.17 C ATOM 22 C ARG A 2 -18.539 -3.709 14.190 1.00 7.58 C ATOM 23 O ARG A 2 -17.489 -3.059 14.176 1.00 7.72 O ATOM 24 CB ARG A 2 -19.853 -2.363 15.859 1.00 8.58 C ATOM 25 CG ARG A 2 -20.435 -2.255 17.265 1.00 9.29 C ATOM 26 CD ARG A 2 -20.776 -0.809 17.622 1.00 9.46 C ATOM 27 NE ARG A 2 -21.189 -0.661 19.022 1.00 9.75 N ATOM 28 CZ ARG A 2 -20.346 -0.608 20.058 1.00 10.18 C ATOM 29 NH1 ARG A 2 -19.036 -0.704 19.862 1.00 10.36 N ATOM 30 NH2 ARG A 2 -20.819 -0.465 21.288 1.00 10.67 N ATOM 0 H ARG A 2 -17.662 -4.145 16.590 1.00 8.82 H new ATOM 0 HA ARG A 2 -20.275 -4.391 15.258 1.00 8.17 H new ATOM 0 HB2 ARG A 2 -19.003 -1.685 15.779 1.00 8.58 H new ATOM 0 HB3 ARG A 2 -20.601 -2.022 15.144 1.00 8.58 H new ATOM 0 HG2 ARG A 2 -21.332 -2.869 17.336 1.00 9.29 H new ATOM 0 HG3 ARG A 2 -19.720 -2.650 17.987 1.00 9.29 H new ATOM 0 HD2 ARG A 2 -19.908 -0.177 17.433 1.00 9.46 H new ATOM 0 HD3 ARG A 2 -21.576 -0.456 16.971 1.00 9.46 H new ATOM 0 HE ARG A 2 -22.188 -0.594 19.218 1.00 9.75 H new ATOM 0 HH11 ARG A 2 -18.669 -0.819 18.917 1.00 10.36 H new ATOM 0 HH12 ARG A 2 -18.397 -0.663 20.656 1.00 10.36 H new ATOM 0 HH21 ARG A 2 -21.825 -0.396 21.443 1.00 10.67 H new ATOM 0 HH22 ARG A 2 -20.177 -0.424 22.080 1.00 10.67 H new ATOM 44 N SER A 3 -18.993 -4.379 13.128 1.00 7.20 N ATOM 45 CA SER A 3 -18.287 -4.377 11.843 1.00 6.89 C ATOM 46 C SER A 3 -18.732 -3.185 10.991 1.00 5.94 C ATOM 47 O SER A 3 -19.800 -3.216 10.373 1.00 6.02 O ATOM 48 CB SER A 3 -18.540 -5.692 11.088 1.00 7.63 C ATOM 49 OG SER A 3 -18.066 -6.810 11.826 1.00 8.43 O ATOM 0 H SER A 3 -19.850 -4.932 13.132 1.00 7.20 H new ATOM 0 HA SER A 3 -17.218 -4.288 12.038 1.00 6.89 H new ATOM 0 HB2 SER A 3 -19.607 -5.805 10.898 1.00 7.63 H new ATOM 0 HB3 SER A 3 -18.045 -5.658 10.117 1.00 7.63 H new ATOM 0 HG SER A 3 -18.242 -7.632 11.323 1.00 8.43 H new ATOM 55 N SER A 4 -17.918 -2.129 10.993 1.00 5.38 N ATOM 56 CA SER A 4 -18.202 -0.900 10.239 1.00 4.74 C ATOM 57 C SER A 4 -17.005 -0.534 9.368 1.00 4.08 C ATOM 58 O SER A 4 -16.045 0.081 9.840 1.00 4.43 O ATOM 59 CB SER A 4 -18.543 0.259 11.196 1.00 5.40 C ATOM 60 OG SER A 4 -17.895 0.117 12.453 1.00 6.32 O ATOM 0 H SER A 4 -17.043 -2.098 11.516 1.00 5.38 H new ATOM 0 HA SER A 4 -19.065 -1.078 9.597 1.00 4.74 H new ATOM 0 HB2 SER A 4 -18.248 1.204 10.741 1.00 5.40 H new ATOM 0 HB3 SER A 4 -19.622 0.300 11.346 1.00 5.40 H new ATOM 0 HG SER A 4 -18.134 0.871 13.031 1.00 6.32 H new ATOM 66 N ALA A 5 -17.058 -0.942 8.104 1.00 3.63 N ATOM 67 CA ALA A 5 -15.976 -0.676 7.162 1.00 3.45 C ATOM 68 C ALA A 5 -16.412 -0.933 5.722 1.00 2.57 C ATOM 69 O ALA A 5 -16.740 -2.065 5.356 1.00 2.77 O ATOM 70 CB ALA A 5 -14.755 -1.536 7.499 1.00 4.25 C ATOM 0 H ALA A 5 -17.842 -1.460 7.707 1.00 3.63 H new ATOM 0 HA ALA A 5 -15.711 0.377 7.252 1.00 3.45 H new ATOM 0 HB1 ALA A 5 -13.956 -1.327 6.788 1.00 4.25 H new ATOM 0 HB2 ALA A 5 -14.414 -1.304 8.508 1.00 4.25 H new ATOM 0 HB3 ALA A 5 -15.025 -2.590 7.441 1.00 4.25 H new ATOM 76 N LYS A 6 -16.372 0.115 4.901 1.00 2.17 N ATOM 77 CA LYS A 6 -16.642 -0.002 3.463 1.00 1.92 C ATOM 78 C LYS A 6 -15.382 -0.525 2.758 1.00 1.64 C ATOM 79 O LYS A 6 -14.462 -1.028 3.411 1.00 2.32 O ATOM 80 CB LYS A 6 -17.055 1.362 2.873 1.00 2.86 C ATOM 81 CG LYS A 6 -17.942 2.203 3.787 1.00 3.45 C ATOM 82 CD LYS A 6 -18.587 3.363 3.031 1.00 4.36 C ATOM 83 CE LYS A 6 -18.583 4.650 3.854 1.00 5.20 C ATOM 84 NZ LYS A 6 -17.244 5.301 3.886 1.00 5.61 N ATOM 0 H LYS A 6 -16.154 1.063 5.207 1.00 2.17 H new ATOM 0 HA LYS A 6 -17.466 -0.699 3.309 1.00 1.92 H new ATOM 0 HB2 LYS A 6 -16.155 1.930 2.638 1.00 2.86 H new ATOM 0 HB3 LYS A 6 -17.580 1.193 1.933 1.00 2.86 H new ATOM 0 HG2 LYS A 6 -18.719 1.574 4.221 1.00 3.45 H new ATOM 0 HG3 LYS A 6 -17.348 2.592 4.614 1.00 3.45 H new ATOM 0 HD2 LYS A 6 -18.053 3.528 2.095 1.00 4.36 H new ATOM 0 HD3 LYS A 6 -19.613 3.101 2.771 1.00 4.36 H new ATOM 0 HE2 LYS A 6 -19.312 5.346 3.438 1.00 5.20 H new ATOM 0 HE3 LYS A 6 -18.900 4.427 4.873 1.00 5.20 H new ATOM 0 HZ1 LYS A 6 -17.336 6.266 4.261 1.00 5.61 H new ATOM 0 HZ2 LYS A 6 -16.605 4.752 4.496 1.00 5.61 H new ATOM 0 HZ3 LYS A 6 -16.854 5.340 2.923 1.00 5.61 H new ATOM 98 N GLN A 7 -15.316 -0.395 1.433 1.00 1.12 N ATOM 99 CA GLN A 7 -14.112 -0.804 0.701 1.00 0.87 C ATOM 100 C GLN A 7 -13.079 0.330 0.661 1.00 0.74 C ATOM 101 O GLN A 7 -11.900 0.095 0.386 1.00 0.75 O ATOM 102 CB GLN A 7 -14.426 -1.283 -0.714 1.00 1.05 C ATOM 103 CG GLN A 7 -13.364 -2.252 -1.222 1.00 1.31 C ATOM 104 CD GLN A 7 -13.685 -3.710 -0.929 1.00 1.15 C ATOM 105 OE1 GLN A 7 -14.216 -4.420 -1.784 1.00 1.76 O ATOM 106 NE2 GLN A 7 -13.360 -4.168 0.278 1.00 1.09 N ATOM 0 H GLN A 7 -16.065 -0.018 0.852 1.00 1.12 H new ATOM 0 HA GLN A 7 -13.689 -1.648 1.245 1.00 0.87 H new ATOM 0 HB2 GLN A 7 -15.401 -1.770 -0.727 1.00 1.05 H new ATOM 0 HB3 GLN A 7 -14.489 -0.426 -1.384 1.00 1.05 H new ATOM 0 HG2 GLN A 7 -13.250 -2.122 -2.298 1.00 1.31 H new ATOM 0 HG3 GLN A 7 -12.406 -2.000 -0.767 1.00 1.31 H new ATOM 0 HE21 GLN A 7 -12.921 -3.547 0.958 1.00 1.09 H new ATOM 0 HE22 GLN A 7 -13.550 -5.140 0.523 1.00 1.09 H new ATOM 115 N GLU A 8 -13.509 1.540 1.026 1.00 0.74 N ATOM 116 CA GLU A 8 -12.611 2.700 1.119 1.00 0.76 C ATOM 117 C GLU A 8 -11.624 2.545 2.297 1.00 0.68 C ATOM 118 O GLU A 8 -10.815 3.435 2.563 1.00 0.98 O ATOM 119 CB GLU A 8 -13.437 3.988 1.287 1.00 0.92 C ATOM 120 CG GLU A 8 -14.641 4.077 0.356 1.00 1.50 C ATOM 121 CD GLU A 8 -15.401 5.378 0.498 1.00 1.93 C ATOM 122 OE1 GLU A 8 -15.981 5.612 1.574 1.00 2.24 O ATOM 123 OE2 GLU A 8 -15.433 6.160 -0.471 1.00 2.61 O ATOM 0 H GLU A 8 -14.479 1.745 1.264 1.00 0.74 H new ATOM 0 HA GLU A 8 -12.032 2.760 0.198 1.00 0.76 H new ATOM 0 HB2 GLU A 8 -13.782 4.054 2.319 1.00 0.92 H new ATOM 0 HB3 GLU A 8 -12.790 4.848 1.112 1.00 0.92 H new ATOM 0 HG2 GLU A 8 -14.305 3.969 -0.675 1.00 1.50 H new ATOM 0 HG3 GLU A 8 -15.314 3.245 0.561 1.00 1.50 H new ATOM 130 N GLU A 9 -11.722 1.411 3.004 1.00 0.41 N ATOM 131 CA GLU A 9 -10.838 1.090 4.132 1.00 0.38 C ATOM 132 C GLU A 9 -9.579 0.409 3.611 1.00 0.34 C ATOM 133 O GLU A 9 -8.474 0.698 4.064 1.00 0.43 O ATOM 134 CB GLU A 9 -11.565 0.196 5.161 1.00 0.42 C ATOM 135 CG GLU A 9 -12.170 0.963 6.335 1.00 0.62 C ATOM 136 CD GLU A 9 -13.081 2.095 5.902 1.00 1.46 C ATOM 137 OE1 GLU A 9 -14.273 1.837 5.656 1.00 2.19 O ATOM 138 OE2 GLU A 9 -12.604 3.242 5.818 1.00 2.23 O ATOM 0 H GLU A 9 -12.417 0.690 2.810 1.00 0.41 H new ATOM 0 HA GLU A 9 -10.557 2.013 4.640 1.00 0.38 H new ATOM 0 HB2 GLU A 9 -12.357 -0.354 4.653 1.00 0.42 H new ATOM 0 HB3 GLU A 9 -10.861 -0.542 5.547 1.00 0.42 H new ATOM 0 HG2 GLU A 9 -12.733 0.271 6.961 1.00 0.62 H new ATOM 0 HG3 GLU A 9 -11.366 1.367 6.950 1.00 0.62 H new ATOM 145 N LEU A 10 -9.756 -0.453 2.603 1.00 0.28 N ATOM 146 CA LEU A 10 -8.637 -1.111 1.927 1.00 0.29 C ATOM 147 C LEU A 10 -7.755 -0.064 1.239 1.00 0.26 C ATOM 148 O LEU A 10 -6.533 -0.167 1.251 1.00 0.30 O ATOM 149 CB LEU A 10 -9.166 -2.135 0.900 1.00 0.35 C ATOM 150 CG LEU A 10 -8.140 -2.676 -0.111 1.00 0.35 C ATOM 151 CD1 LEU A 10 -7.038 -3.450 0.601 1.00 0.60 C ATOM 152 CD2 LEU A 10 -8.831 -3.555 -1.146 1.00 1.01 C ATOM 0 H LEU A 10 -10.672 -0.711 2.237 1.00 0.28 H new ATOM 0 HA LEU A 10 -8.036 -1.642 2.665 1.00 0.29 H new ATOM 0 HB2 LEU A 10 -9.588 -2.979 1.445 1.00 0.35 H new ATOM 0 HB3 LEU A 10 -9.983 -1.673 0.345 1.00 0.35 H new ATOM 0 HG LEU A 10 -7.682 -1.830 -0.624 1.00 0.35 H new ATOM 0 HD11 LEU A 10 -6.324 -3.824 -0.133 1.00 0.60 H new ATOM 0 HD12 LEU A 10 -6.526 -2.792 1.303 1.00 0.60 H new ATOM 0 HD13 LEU A 10 -7.474 -4.289 1.143 1.00 0.60 H new ATOM 0 HD21 LEU A 10 -8.093 -3.931 -1.855 1.00 1.01 H new ATOM 0 HD22 LEU A 10 -9.314 -4.394 -0.646 1.00 1.01 H new ATOM 0 HD23 LEU A 10 -9.580 -2.969 -1.679 1.00 1.01 H new ATOM 164 N VAL A 11 -8.398 0.980 0.699 1.00 0.26 N ATOM 165 CA VAL A 11 -7.695 2.081 0.027 1.00 0.29 C ATOM 166 C VAL A 11 -6.969 2.990 1.037 1.00 0.29 C ATOM 167 O VAL A 11 -5.784 3.292 0.861 1.00 0.37 O ATOM 168 CB VAL A 11 -8.687 2.910 -0.839 1.00 0.36 C ATOM 169 CG1 VAL A 11 -8.092 4.247 -1.273 1.00 0.43 C ATOM 170 CG2 VAL A 11 -9.127 2.105 -2.056 1.00 0.49 C ATOM 0 H VAL A 11 -9.412 1.085 0.715 1.00 0.26 H new ATOM 0 HA VAL A 11 -6.939 1.643 -0.625 1.00 0.29 H new ATOM 0 HB VAL A 11 -9.557 3.128 -0.219 1.00 0.36 H new ATOM 0 HG11 VAL A 11 -8.820 4.791 -1.875 1.00 0.43 H new ATOM 0 HG12 VAL A 11 -7.838 4.836 -0.391 1.00 0.43 H new ATOM 0 HG13 VAL A 11 -7.193 4.071 -1.863 1.00 0.43 H new ATOM 0 HG21 VAL A 11 -9.821 2.697 -2.653 1.00 0.49 H new ATOM 0 HG22 VAL A 11 -8.255 1.851 -2.659 1.00 0.49 H new ATOM 0 HG23 VAL A 11 -9.620 1.190 -1.728 1.00 0.49 H new ATOM 180 N LYS A 12 -7.661 3.406 2.109 1.00 0.26 N ATOM 181 CA LYS A 12 -7.041 4.258 3.139 1.00 0.30 C ATOM 182 C LYS A 12 -5.931 3.493 3.889 1.00 0.27 C ATOM 183 O LYS A 12 -4.871 4.057 4.191 1.00 0.32 O ATOM 184 CB LYS A 12 -8.123 4.841 4.080 1.00 0.38 C ATOM 185 CG LYS A 12 -7.767 4.879 5.562 1.00 1.15 C ATOM 186 CD LYS A 12 -8.002 3.522 6.193 1.00 2.01 C ATOM 187 CE LYS A 12 -9.340 3.452 6.920 1.00 2.92 C ATOM 188 NZ LYS A 12 -9.442 4.423 8.040 1.00 3.46 N ATOM 0 H LYS A 12 -8.638 3.171 2.285 1.00 0.26 H new ATOM 0 HA LYS A 12 -6.554 5.107 2.658 1.00 0.30 H new ATOM 0 HB2 LYS A 12 -8.351 5.856 3.755 1.00 0.38 H new ATOM 0 HB3 LYS A 12 -9.035 4.256 3.960 1.00 0.38 H new ATOM 0 HG2 LYS A 12 -6.724 5.169 5.685 1.00 1.15 H new ATOM 0 HG3 LYS A 12 -8.370 5.633 6.069 1.00 1.15 H new ATOM 0 HD2 LYS A 12 -7.969 2.753 5.421 1.00 2.01 H new ATOM 0 HD3 LYS A 12 -7.197 3.305 6.895 1.00 2.01 H new ATOM 0 HE2 LYS A 12 -10.144 3.640 6.209 1.00 2.92 H new ATOM 0 HE3 LYS A 12 -9.485 2.443 7.306 1.00 2.92 H new ATOM 0 HZ1 LYS A 12 -10.118 4.069 8.746 1.00 3.46 H new ATOM 0 HZ2 LYS A 12 -8.509 4.541 8.483 1.00 3.46 H new ATOM 0 HZ3 LYS A 12 -9.771 5.340 7.676 1.00 3.46 H new ATOM 202 N ALA A 13 -6.142 2.189 4.093 1.00 0.25 N ATOM 203 CA ALA A 13 -5.147 1.325 4.732 1.00 0.26 C ATOM 204 C ALA A 13 -3.942 1.123 3.814 1.00 0.22 C ATOM 205 O ALA A 13 -2.800 1.187 4.264 1.00 0.22 O ATOM 206 CB ALA A 13 -5.762 -0.021 5.111 1.00 0.30 C ATOM 0 H ALA A 13 -6.999 1.707 3.822 1.00 0.25 H new ATOM 0 HA ALA A 13 -4.807 1.815 5.645 1.00 0.26 H new ATOM 0 HB1 ALA A 13 -5.005 -0.647 5.584 1.00 0.30 H new ATOM 0 HB2 ALA A 13 -6.587 0.138 5.806 1.00 0.30 H new ATOM 0 HB3 ALA A 13 -6.134 -0.517 4.214 1.00 0.30 H new ATOM 212 N PHE A 14 -4.210 0.937 2.512 1.00 0.21 N ATOM 213 CA PHE A 14 -3.156 0.756 1.503 1.00 0.19 C ATOM 214 C PHE A 14 -2.148 1.914 1.533 1.00 0.17 C ATOM 215 O PHE A 14 -0.941 1.692 1.645 1.00 0.21 O ATOM 216 CB PHE A 14 -3.771 0.629 0.097 1.00 0.19 C ATOM 217 CG PHE A 14 -2.811 0.108 -0.926 1.00 0.17 C ATOM 218 CD1 PHE A 14 -2.645 -1.256 -1.100 1.00 1.16 C ATOM 219 CD2 PHE A 14 -2.065 0.977 -1.704 1.00 1.22 C ATOM 220 CE1 PHE A 14 -1.764 -1.744 -2.038 1.00 1.17 C ATOM 221 CE2 PHE A 14 -1.174 0.491 -2.642 1.00 1.21 C ATOM 222 CZ PHE A 14 -1.026 -0.868 -2.805 1.00 0.16 C ATOM 0 H PHE A 14 -5.156 0.908 2.132 1.00 0.21 H new ATOM 0 HA PHE A 14 -2.624 -0.164 1.743 1.00 0.19 H new ATOM 0 HB2 PHE A 14 -4.635 -0.034 0.145 1.00 0.19 H new ATOM 0 HB3 PHE A 14 -4.136 1.605 -0.222 1.00 0.19 H new ATOM 0 HD1 PHE A 14 -3.213 -1.945 -0.493 1.00 1.16 H new ATOM 0 HD2 PHE A 14 -2.180 2.043 -1.577 1.00 1.22 H new ATOM 0 HE1 PHE A 14 -1.651 -2.810 -2.173 1.00 1.17 H new ATOM 0 HE2 PHE A 14 -0.596 1.175 -3.245 1.00 1.21 H new ATOM 0 HZ PHE A 14 -0.329 -1.249 -3.537 1.00 0.16 H new ATOM 232 N LYS A 15 -2.662 3.152 1.498 1.00 0.17 N ATOM 233 CA LYS A 15 -1.809 4.348 1.560 1.00 0.17 C ATOM 234 C LYS A 15 -0.984 4.374 2.856 1.00 0.14 C ATOM 235 O LYS A 15 0.216 4.644 2.833 1.00 0.14 O ATOM 236 CB LYS A 15 -2.641 5.628 1.457 1.00 0.25 C ATOM 237 CG LYS A 15 -2.927 6.040 0.017 1.00 0.64 C ATOM 238 CD LYS A 15 -4.432 6.145 -0.242 1.00 0.58 C ATOM 239 CE LYS A 15 -4.868 7.434 -0.966 1.00 0.82 C ATOM 240 NZ LYS A 15 -3.949 8.590 -0.748 1.00 0.93 N ATOM 0 H LYS A 15 -3.660 3.351 1.427 1.00 0.17 H new ATOM 0 HA LYS A 15 -1.129 4.302 0.710 1.00 0.17 H new ATOM 0 HB2 LYS A 15 -3.585 5.484 1.982 1.00 0.25 H new ATOM 0 HB3 LYS A 15 -2.115 6.438 1.963 1.00 0.25 H new ATOM 0 HG2 LYS A 15 -2.452 6.999 -0.190 1.00 0.64 H new ATOM 0 HG3 LYS A 15 -2.488 5.313 -0.666 1.00 0.64 H new ATOM 0 HD2 LYS A 15 -4.746 5.286 -0.835 1.00 0.58 H new ATOM 0 HD3 LYS A 15 -4.957 6.084 0.711 1.00 0.58 H new ATOM 0 HE2 LYS A 15 -4.936 7.233 -2.035 1.00 0.82 H new ATOM 0 HE3 LYS A 15 -5.868 7.708 -0.629 1.00 0.82 H new ATOM 0 HZ1 LYS A 15 -4.408 9.465 -1.073 1.00 0.93 H new ATOM 0 HZ2 LYS A 15 -3.727 8.671 0.265 1.00 0.93 H new ATOM 0 HZ3 LYS A 15 -3.070 8.441 -1.284 1.00 0.93 H new ATOM 254 N ALA A 16 -1.654 4.085 3.980 1.00 0.15 N ATOM 255 CA ALA A 16 -1.019 4.068 5.304 1.00 0.16 C ATOM 256 C ALA A 16 0.120 3.044 5.384 1.00 0.15 C ATOM 257 O ALA A 16 1.205 3.356 5.882 1.00 0.18 O ATOM 258 CB ALA A 16 -2.062 3.790 6.385 1.00 0.20 C ATOM 0 H ALA A 16 -2.648 3.857 3.997 1.00 0.15 H new ATOM 0 HA ALA A 16 -0.581 5.052 5.471 1.00 0.16 H new ATOM 0 HB1 ALA A 16 -1.579 3.780 7.362 1.00 0.20 H new ATOM 0 HB2 ALA A 16 -2.824 4.569 6.365 1.00 0.20 H new ATOM 0 HB3 ALA A 16 -2.528 2.822 6.200 1.00 0.20 H new ATOM 264 N LEU A 17 -0.136 1.823 4.889 1.00 0.15 N ATOM 265 CA LEU A 17 0.868 0.746 4.873 1.00 0.17 C ATOM 266 C LEU A 17 2.154 1.195 4.178 1.00 0.15 C ATOM 267 O LEU A 17 3.257 0.985 4.688 1.00 0.19 O ATOM 268 CB LEU A 17 0.320 -0.492 4.142 1.00 0.21 C ATOM 269 CG LEU A 17 -0.783 -1.277 4.868 1.00 0.25 C ATOM 270 CD1 LEU A 17 -0.783 -2.731 4.417 1.00 0.27 C ATOM 271 CD2 LEU A 17 -0.639 -1.191 6.382 1.00 0.33 C ATOM 0 H LEU A 17 -1.036 1.555 4.492 1.00 0.15 H new ATOM 0 HA LEU A 17 1.091 0.497 5.911 1.00 0.17 H new ATOM 0 HB2 LEU A 17 -0.067 -0.174 3.174 1.00 0.21 H new ATOM 0 HB3 LEU A 17 1.151 -1.170 3.947 1.00 0.21 H new ATOM 0 HG LEU A 17 -1.737 -0.822 4.604 1.00 0.25 H new ATOM 0 HD11 LEU A 17 -1.570 -3.274 4.940 1.00 0.27 H new ATOM 0 HD12 LEU A 17 -0.962 -2.779 3.343 1.00 0.27 H new ATOM 0 HD13 LEU A 17 0.183 -3.183 4.645 1.00 0.27 H new ATOM 0 HD21 LEU A 17 -1.439 -1.760 6.856 1.00 0.33 H new ATOM 0 HD22 LEU A 17 0.325 -1.603 6.680 1.00 0.33 H new ATOM 0 HD23 LEU A 17 -0.700 -0.149 6.695 1.00 0.33 H new ATOM 283 N LEU A 18 1.994 1.810 3.010 1.00 0.12 N ATOM 284 CA LEU A 18 3.130 2.301 2.219 1.00 0.12 C ATOM 285 C LEU A 18 3.844 3.469 2.910 1.00 0.13 C ATOM 286 O LEU A 18 5.066 3.459 3.064 1.00 0.15 O ATOM 287 CB LEU A 18 2.657 2.751 0.834 1.00 0.12 C ATOM 288 CG LEU A 18 1.901 1.700 0.017 1.00 0.13 C ATOM 289 CD1 LEU A 18 1.042 2.387 -1.034 1.00 0.22 C ATOM 290 CD2 LEU A 18 2.868 0.719 -0.629 1.00 0.15 C ATOM 0 H LEU A 18 1.084 1.984 2.584 1.00 0.12 H new ATOM 0 HA LEU A 18 3.836 1.476 2.122 1.00 0.12 H new ATOM 0 HB2 LEU A 18 2.013 3.622 0.955 1.00 0.12 H new ATOM 0 HB3 LEU A 18 3.526 3.074 0.261 1.00 0.12 H new ATOM 0 HG LEU A 18 1.252 1.133 0.685 1.00 0.13 H new ATOM 0 HD11 LEU A 18 0.506 1.636 -1.613 1.00 0.22 H new ATOM 0 HD12 LEU A 18 0.326 3.047 -0.544 1.00 0.22 H new ATOM 0 HD13 LEU A 18 1.678 2.972 -1.699 1.00 0.22 H new ATOM 0 HD21 LEU A 18 2.308 -0.018 -1.204 1.00 0.15 H new ATOM 0 HD22 LEU A 18 3.545 1.258 -1.292 1.00 0.15 H new ATOM 0 HD23 LEU A 18 3.445 0.213 0.145 1.00 0.15 H new ATOM 302 N LYS A 19 3.065 4.472 3.324 1.00 0.17 N ATOM 303 CA LYS A 19 3.602 5.684 3.963 1.00 0.21 C ATOM 304 C LYS A 19 4.345 5.393 5.283 1.00 0.24 C ATOM 305 O LYS A 19 5.162 6.204 5.724 1.00 0.32 O ATOM 306 CB LYS A 19 2.474 6.696 4.186 1.00 0.23 C ATOM 307 CG LYS A 19 1.892 7.240 2.882 1.00 0.25 C ATOM 308 CD LYS A 19 0.607 8.030 3.118 1.00 0.38 C ATOM 309 CE LYS A 19 0.842 9.538 3.048 1.00 0.80 C ATOM 310 NZ LYS A 19 1.756 10.031 4.113 1.00 1.39 N ATOM 0 H LYS A 19 2.050 4.471 3.228 1.00 0.17 H new ATOM 0 HA LYS A 19 4.344 6.105 3.284 1.00 0.21 H new ATOM 0 HB2 LYS A 19 1.679 6.224 4.763 1.00 0.23 H new ATOM 0 HB3 LYS A 19 2.851 7.526 4.783 1.00 0.23 H new ATOM 0 HG2 LYS A 19 2.628 7.880 2.395 1.00 0.25 H new ATOM 0 HG3 LYS A 19 1.690 6.413 2.202 1.00 0.25 H new ATOM 0 HD2 LYS A 19 -0.136 7.744 2.374 1.00 0.38 H new ATOM 0 HD3 LYS A 19 0.197 7.772 4.094 1.00 0.38 H new ATOM 0 HE2 LYS A 19 1.258 9.791 2.073 1.00 0.80 H new ATOM 0 HE3 LYS A 19 -0.115 10.054 3.130 1.00 0.80 H new ATOM 0 HZ1 LYS A 19 1.435 10.964 4.442 1.00 1.39 H new ATOM 0 HZ2 LYS A 19 1.753 9.363 4.910 1.00 1.39 H new ATOM 0 HZ3 LYS A 19 2.721 10.111 3.733 1.00 1.39 H new ATOM 324 N GLU A 20 4.094 4.222 5.887 1.00 0.26 N ATOM 325 CA GLU A 20 4.797 3.806 7.109 1.00 0.30 C ATOM 326 C GLU A 20 6.269 3.442 6.818 1.00 0.27 C ATOM 327 O GLU A 20 7.085 3.394 7.739 1.00 0.30 O ATOM 328 CB GLU A 20 4.086 2.604 7.758 1.00 0.39 C ATOM 329 CG GLU A 20 2.763 2.958 8.439 1.00 0.48 C ATOM 330 CD GLU A 20 2.851 2.933 9.952 1.00 1.05 C ATOM 331 OE1 GLU A 20 2.784 1.832 10.534 1.00 1.76 O ATOM 332 OE2 GLU A 20 3.024 4.006 10.555 1.00 1.75 O ATOM 0 H GLU A 20 3.409 3.546 5.549 1.00 0.26 H new ATOM 0 HA GLU A 20 4.782 4.650 7.798 1.00 0.30 H new ATOM 0 HB2 GLU A 20 3.899 1.849 6.994 1.00 0.39 H new ATOM 0 HB3 GLU A 20 4.753 2.154 8.494 1.00 0.39 H new ATOM 0 HG2 GLU A 20 2.448 3.950 8.115 1.00 0.48 H new ATOM 0 HG3 GLU A 20 1.994 2.257 8.114 1.00 0.48 H new ATOM 339 N GLU A 21 6.587 3.158 5.539 1.00 0.24 N ATOM 340 CA GLU A 21 7.947 2.781 5.108 1.00 0.26 C ATOM 341 C GLU A 21 8.399 1.480 5.785 1.00 0.28 C ATOM 342 O GLU A 21 9.268 1.493 6.660 1.00 0.42 O ATOM 343 CB GLU A 21 8.951 3.919 5.385 1.00 0.28 C ATOM 344 CG GLU A 21 8.562 5.260 4.762 1.00 0.33 C ATOM 345 CD GLU A 21 9.514 6.385 5.135 1.00 0.44 C ATOM 346 OE1 GLU A 21 9.907 6.460 6.317 1.00 1.19 O ATOM 347 OE2 GLU A 21 9.841 7.210 4.259 1.00 1.17 O ATOM 0 H GLU A 21 5.909 3.184 4.777 1.00 0.24 H new ATOM 0 HA GLU A 21 7.919 2.610 4.032 1.00 0.26 H new ATOM 0 HB2 GLU A 21 9.051 4.047 6.463 1.00 0.28 H new ATOM 0 HB3 GLU A 21 9.930 3.625 5.007 1.00 0.28 H new ATOM 0 HG2 GLU A 21 8.537 5.157 3.677 1.00 0.33 H new ATOM 0 HG3 GLU A 21 7.554 5.524 5.081 1.00 0.33 H new ATOM 354 N LYS A 22 7.793 0.360 5.379 1.00 0.24 N ATOM 355 CA LYS A 22 8.083 -0.951 5.975 1.00 0.27 C ATOM 356 C LYS A 22 8.124 -2.064 4.922 1.00 0.33 C ATOM 357 O LYS A 22 9.044 -2.883 4.910 1.00 0.74 O ATOM 358 CB LYS A 22 7.014 -1.273 7.039 1.00 0.37 C ATOM 359 CG LYS A 22 7.155 -2.651 7.693 1.00 0.95 C ATOM 360 CD LYS A 22 7.269 -2.570 9.215 1.00 1.24 C ATOM 361 CE LYS A 22 6.036 -3.141 9.906 1.00 1.69 C ATOM 362 NZ LYS A 22 4.877 -2.213 9.876 1.00 2.44 N ATOM 0 H LYS A 22 7.095 0.334 4.636 1.00 0.24 H new ATOM 0 HA LYS A 22 9.070 -0.902 6.435 1.00 0.27 H new ATOM 0 HB2 LYS A 22 7.055 -0.511 7.817 1.00 0.37 H new ATOM 0 HB3 LYS A 22 6.029 -1.204 6.577 1.00 0.37 H new ATOM 0 HG2 LYS A 22 6.293 -3.264 7.429 1.00 0.95 H new ATOM 0 HG3 LYS A 22 8.037 -3.151 7.292 1.00 0.95 H new ATOM 0 HD2 LYS A 22 8.154 -3.115 9.543 1.00 1.24 H new ATOM 0 HD3 LYS A 22 7.405 -1.531 9.515 1.00 1.24 H new ATOM 0 HE2 LYS A 22 5.757 -4.079 9.425 1.00 1.69 H new ATOM 0 HE3 LYS A 22 6.281 -3.375 10.942 1.00 1.69 H new ATOM 0 HZ1 LYS A 22 4.068 -2.652 10.359 1.00 2.44 H new ATOM 0 HZ2 LYS A 22 5.129 -1.327 10.359 1.00 2.44 H new ATOM 0 HZ3 LYS A 22 4.621 -2.009 8.889 1.00 2.44 H new ATOM 376 N PHE A 23 7.084 -2.132 4.093 1.00 0.25 N ATOM 377 CA PHE A 23 6.936 -3.207 3.102 1.00 0.25 C ATOM 378 C PHE A 23 7.841 -3.016 1.889 1.00 0.23 C ATOM 379 O PHE A 23 7.887 -1.939 1.294 1.00 0.30 O ATOM 380 CB PHE A 23 5.472 -3.305 2.672 1.00 0.36 C ATOM 381 CG PHE A 23 4.555 -3.406 3.863 1.00 0.34 C ATOM 382 CD1 PHE A 23 4.592 -4.528 4.675 1.00 1.22 C ATOM 383 CD2 PHE A 23 3.760 -2.339 4.248 1.00 1.25 C ATOM 384 CE1 PHE A 23 3.804 -4.617 5.803 1.00 1.21 C ATOM 385 CE2 PHE A 23 2.966 -2.425 5.379 1.00 1.27 C ATOM 386 CZ PHE A 23 2.989 -3.565 6.155 1.00 0.35 C ATOM 0 H PHE A 23 6.324 -1.452 4.085 1.00 0.25 H new ATOM 0 HA PHE A 23 7.246 -4.139 3.575 1.00 0.25 H new ATOM 0 HB2 PHE A 23 5.206 -2.430 2.079 1.00 0.36 H new ATOM 0 HB3 PHE A 23 5.337 -4.177 2.032 1.00 0.36 H new ATOM 0 HD1 PHE A 23 5.249 -5.346 4.420 1.00 1.22 H new ATOM 0 HD2 PHE A 23 3.759 -1.432 3.661 1.00 1.25 H new ATOM 0 HE1 PHE A 23 3.826 -5.511 6.409 1.00 1.21 H new ATOM 0 HE2 PHE A 23 2.328 -1.598 5.654 1.00 1.27 H new ATOM 0 HZ PHE A 23 2.369 -3.632 7.037 1.00 0.35 H new ATOM 396 N SER A 24 8.539 -4.088 1.519 1.00 0.22 N ATOM 397 CA SER A 24 9.487 -4.068 0.400 1.00 0.27 C ATOM 398 C SER A 24 8.889 -4.638 -0.893 1.00 0.26 C ATOM 399 O SER A 24 9.341 -4.290 -1.985 1.00 0.44 O ATOM 400 CB SER A 24 10.764 -4.837 0.776 1.00 0.37 C ATOM 401 OG SER A 24 10.477 -6.138 1.275 1.00 1.04 O ATOM 0 H SER A 24 8.466 -4.993 1.983 1.00 0.22 H new ATOM 0 HA SER A 24 9.729 -3.023 0.205 1.00 0.27 H new ATOM 0 HB2 SER A 24 11.409 -4.919 -0.099 1.00 0.37 H new ATOM 0 HB3 SER A 24 11.317 -4.275 1.528 1.00 0.37 H new ATOM 0 HG SER A 24 9.513 -6.224 1.428 1.00 1.04 H new ATOM 407 N SER A 25 7.895 -5.518 -0.776 1.00 0.21 N ATOM 408 CA SER A 25 7.266 -6.132 -1.949 1.00 0.22 C ATOM 409 C SER A 25 5.740 -6.086 -1.858 1.00 0.20 C ATOM 410 O SER A 25 5.169 -5.787 -0.806 1.00 0.24 O ATOM 411 CB SER A 25 7.745 -7.585 -2.117 1.00 0.31 C ATOM 412 OG SER A 25 7.418 -8.383 -0.985 1.00 0.43 O ATOM 0 H SER A 25 7.507 -5.822 0.117 1.00 0.21 H new ATOM 0 HA SER A 25 7.566 -5.555 -2.824 1.00 0.22 H new ATOM 0 HB2 SER A 25 7.291 -8.016 -3.009 1.00 0.31 H new ATOM 0 HB3 SER A 25 8.824 -7.597 -2.271 1.00 0.31 H new ATOM 0 HG SER A 25 7.736 -9.299 -1.128 1.00 0.43 H new ATOM 418 N GLN A 26 5.094 -6.401 -2.980 1.00 0.22 N ATOM 419 CA GLN A 26 3.630 -6.451 -3.081 1.00 0.23 C ATOM 420 C GLN A 26 3.057 -7.495 -2.115 1.00 0.27 C ATOM 421 O GLN A 26 2.297 -7.169 -1.205 1.00 0.44 O ATOM 422 CB GLN A 26 3.244 -6.803 -4.522 1.00 0.33 C ATOM 423 CG GLN A 26 4.195 -6.239 -5.576 1.00 0.48 C ATOM 424 CD GLN A 26 3.578 -6.176 -6.962 1.00 0.76 C ATOM 425 OE1 GLN A 26 2.909 -7.112 -7.396 1.00 1.53 O ATOM 426 NE2 GLN A 26 3.793 -5.071 -7.661 1.00 0.81 N ATOM 0 H GLN A 26 5.572 -6.631 -3.852 1.00 0.22 H new ATOM 0 HA GLN A 26 3.218 -5.478 -2.813 1.00 0.23 H new ATOM 0 HB2 GLN A 26 3.208 -7.888 -4.623 1.00 0.33 H new ATOM 0 HB3 GLN A 26 2.238 -6.431 -4.719 1.00 0.33 H new ATOM 0 HG2 GLN A 26 4.506 -5.238 -5.277 1.00 0.48 H new ATOM 0 HG3 GLN A 26 5.094 -6.855 -5.613 1.00 0.48 H new ATOM 0 HE21 GLN A 26 4.354 -4.317 -7.264 1.00 0.81 H new ATOM 0 HE22 GLN A 26 3.397 -4.974 -8.596 1.00 0.81 H new ATOM 435 N GLY A 27 3.520 -8.733 -2.279 1.00 0.23 N ATOM 436 CA GLY A 27 3.087 -9.849 -1.429 1.00 0.25 C ATOM 437 C GLY A 27 3.260 -9.604 0.071 1.00 0.23 C ATOM 438 O GLY A 27 2.548 -10.199 0.886 1.00 0.30 O ATOM 0 H GLY A 27 4.198 -8.993 -2.995 1.00 0.23 H new ATOM 0 HA2 GLY A 27 2.037 -10.058 -1.632 1.00 0.25 H new ATOM 0 HA3 GLY A 27 3.649 -10.741 -1.707 1.00 0.25 H new ATOM 442 N GLU A 28 4.195 -8.722 0.448 1.00 0.22 N ATOM 443 CA GLU A 28 4.414 -8.387 1.856 1.00 0.25 C ATOM 444 C GLU A 28 3.255 -7.534 2.402 1.00 0.20 C ATOM 445 O GLU A 28 2.759 -7.786 3.506 1.00 0.24 O ATOM 446 CB GLU A 28 5.759 -7.662 2.044 1.00 0.34 C ATOM 447 CG GLU A 28 6.380 -7.884 3.422 1.00 0.96 C ATOM 448 CD GLU A 28 7.802 -7.366 3.536 1.00 1.05 C ATOM 449 OE1 GLU A 28 8.244 -6.621 2.640 1.00 1.62 O ATOM 450 OE2 GLU A 28 8.476 -7.706 4.529 1.00 1.59 O ATOM 0 H GLU A 28 4.809 -8.231 -0.202 1.00 0.22 H new ATOM 0 HA GLU A 28 4.448 -9.317 2.423 1.00 0.25 H new ATOM 0 HB2 GLU A 28 6.457 -8.003 1.280 1.00 0.34 H new ATOM 0 HB3 GLU A 28 5.612 -6.593 1.888 1.00 0.34 H new ATOM 0 HG2 GLU A 28 5.762 -7.393 4.174 1.00 0.96 H new ATOM 0 HG3 GLU A 28 6.371 -8.950 3.648 1.00 0.96 H new ATOM 457 N ILE A 29 2.808 -6.541 1.618 1.00 0.17 N ATOM 458 CA ILE A 29 1.672 -5.697 2.019 1.00 0.15 C ATOM 459 C ILE A 29 0.344 -6.459 1.841 1.00 0.14 C ATOM 460 O ILE A 29 -0.625 -6.194 2.555 1.00 0.16 O ATOM 461 CB ILE A 29 1.672 -4.294 1.306 1.00 0.16 C ATOM 462 CG1 ILE A 29 0.314 -3.901 0.710 1.00 0.15 C ATOM 463 CG2 ILE A 29 2.741 -4.208 0.224 1.00 0.23 C ATOM 464 CD1 ILE A 29 0.315 -2.504 0.112 1.00 0.16 C ATOM 0 H ILE A 29 3.211 -6.304 0.711 1.00 0.17 H new ATOM 0 HA ILE A 29 1.785 -5.474 3.080 1.00 0.15 H new ATOM 0 HB ILE A 29 1.898 -3.582 2.100 1.00 0.16 H new ATOM 0 HG12 ILE A 29 0.039 -4.621 -0.061 1.00 0.15 H new ATOM 0 HG13 ILE A 29 -0.449 -3.958 1.487 1.00 0.15 H new ATOM 0 HG21 ILE A 29 2.707 -3.224 -0.243 1.00 0.23 H new ATOM 0 HG22 ILE A 29 3.723 -4.365 0.670 1.00 0.23 H new ATOM 0 HG23 ILE A 29 2.558 -4.974 -0.530 1.00 0.23 H new ATOM 0 HD11 ILE A 29 -0.672 -2.281 -0.294 1.00 0.16 H new ATOM 0 HD12 ILE A 29 0.561 -1.777 0.886 1.00 0.16 H new ATOM 0 HD13 ILE A 29 1.056 -2.450 -0.685 1.00 0.16 H new ATOM 476 N VAL A 30 0.352 -7.495 0.983 1.00 0.14 N ATOM 477 CA VAL A 30 -0.804 -8.389 0.819 1.00 0.16 C ATOM 478 C VAL A 30 -1.102 -9.092 2.151 1.00 0.17 C ATOM 479 O VAL A 30 -2.212 -9.002 2.682 1.00 0.24 O ATOM 480 CB VAL A 30 -0.548 -9.466 -0.279 1.00 0.18 C ATOM 481 CG1 VAL A 30 -1.581 -10.590 -0.212 1.00 0.29 C ATOM 482 CG2 VAL A 30 -0.530 -8.846 -1.668 1.00 0.23 C ATOM 0 H VAL A 30 1.149 -7.732 0.392 1.00 0.14 H new ATOM 0 HA VAL A 30 -1.654 -7.781 0.510 1.00 0.16 H new ATOM 0 HB VAL A 30 0.434 -9.896 -0.083 1.00 0.18 H new ATOM 0 HG11 VAL A 30 -1.372 -11.323 -0.991 1.00 0.29 H new ATOM 0 HG12 VAL A 30 -1.530 -11.073 0.764 1.00 0.29 H new ATOM 0 HG13 VAL A 30 -2.579 -10.177 -0.360 1.00 0.29 H new ATOM 0 HG21 VAL A 30 -0.349 -9.623 -2.411 1.00 0.23 H new ATOM 0 HG22 VAL A 30 -1.490 -8.370 -1.867 1.00 0.23 H new ATOM 0 HG23 VAL A 30 0.263 -8.100 -1.723 1.00 0.23 H new ATOM 492 N ALA A 31 -0.071 -9.743 2.712 1.00 0.17 N ATOM 493 CA ALA A 31 -0.190 -10.434 4.000 1.00 0.21 C ATOM 494 C ALA A 31 -0.542 -9.457 5.134 1.00 0.21 C ATOM 495 O ALA A 31 -1.352 -9.779 6.001 1.00 0.26 O ATOM 496 CB ALA A 31 1.101 -11.182 4.327 1.00 0.25 C ATOM 0 H ALA A 31 0.856 -9.804 2.290 1.00 0.17 H new ATOM 0 HA ALA A 31 -1.004 -11.154 3.914 1.00 0.21 H new ATOM 0 HB1 ALA A 31 0.995 -11.689 5.286 1.00 0.25 H new ATOM 0 HB2 ALA A 31 1.303 -11.917 3.548 1.00 0.25 H new ATOM 0 HB3 ALA A 31 1.928 -10.474 4.380 1.00 0.25 H new ATOM 502 N ALA A 32 0.041 -8.249 5.090 1.00 0.18 N ATOM 503 CA ALA A 32 -0.217 -7.207 6.101 1.00 0.20 C ATOM 504 C ALA A 32 -1.703 -6.808 6.160 1.00 0.18 C ATOM 505 O ALA A 32 -2.273 -6.677 7.248 1.00 0.24 O ATOM 506 CB ALA A 32 0.650 -5.982 5.832 1.00 0.21 C ATOM 0 H ALA A 32 0.698 -7.967 4.362 1.00 0.18 H new ATOM 0 HA ALA A 32 0.044 -7.627 7.072 1.00 0.20 H new ATOM 0 HB1 ALA A 32 0.449 -5.221 6.586 1.00 0.21 H new ATOM 0 HB2 ALA A 32 1.702 -6.265 5.873 1.00 0.21 H new ATOM 0 HB3 ALA A 32 0.420 -5.583 4.844 1.00 0.21 H new ATOM 512 N LEU A 33 -2.332 -6.629 4.990 1.00 0.15 N ATOM 513 CA LEU A 33 -3.761 -6.284 4.927 1.00 0.15 C ATOM 514 C LEU A 33 -4.628 -7.473 5.381 1.00 0.17 C ATOM 515 O LEU A 33 -5.643 -7.285 6.054 1.00 0.21 O ATOM 516 CB LEU A 33 -4.158 -5.812 3.515 1.00 0.21 C ATOM 517 CG LEU A 33 -3.402 -4.574 3.009 1.00 0.29 C ATOM 518 CD1 LEU A 33 -3.401 -4.517 1.489 1.00 0.47 C ATOM 519 CD2 LEU A 33 -4.008 -3.302 3.591 1.00 0.37 C ATOM 0 H LEU A 33 -1.879 -6.716 4.080 1.00 0.15 H new ATOM 0 HA LEU A 33 -3.939 -5.455 5.612 1.00 0.15 H new ATOM 0 HB2 LEU A 33 -3.994 -6.631 2.815 1.00 0.21 H new ATOM 0 HB3 LEU A 33 -5.226 -5.595 3.507 1.00 0.21 H new ATOM 0 HG LEU A 33 -2.368 -4.651 3.344 1.00 0.29 H new ATOM 0 HD11 LEU A 33 -2.859 -3.631 1.158 1.00 0.47 H new ATOM 0 HD12 LEU A 33 -2.915 -5.408 1.092 1.00 0.47 H new ATOM 0 HD13 LEU A 33 -4.428 -4.471 1.126 1.00 0.47 H new ATOM 0 HD21 LEU A 33 -3.460 -2.436 3.221 1.00 0.37 H new ATOM 0 HD22 LEU A 33 -5.053 -3.226 3.290 1.00 0.37 H new ATOM 0 HD23 LEU A 33 -3.946 -3.334 4.679 1.00 0.37 H new ATOM 531 N GLN A 34 -4.177 -8.705 5.106 1.00 0.20 N ATOM 532 CA GLN A 34 -4.891 -9.906 5.570 1.00 0.26 C ATOM 533 C GLN A 34 -4.886 -9.991 7.109 1.00 0.29 C ATOM 534 O GLN A 34 -5.868 -10.425 7.714 1.00 0.38 O ATOM 535 CB GLN A 34 -4.290 -11.175 4.944 1.00 0.29 C ATOM 536 CG GLN A 34 -4.512 -11.270 3.428 1.00 0.33 C ATOM 537 CD GLN A 34 -4.985 -12.633 2.958 1.00 0.58 C ATOM 538 OE1 GLN A 34 -5.750 -13.316 3.642 1.00 1.12 O ATOM 539 NE2 GLN A 34 -4.530 -13.040 1.785 1.00 0.58 N ATOM 0 H GLN A 34 -3.330 -8.897 4.570 1.00 0.20 H new ATOM 0 HA GLN A 34 -5.928 -9.830 5.244 1.00 0.26 H new ATOM 0 HB2 GLN A 34 -3.220 -11.201 5.149 1.00 0.29 H new ATOM 0 HB3 GLN A 34 -4.728 -12.050 5.424 1.00 0.29 H new ATOM 0 HG2 GLN A 34 -5.245 -10.520 3.131 1.00 0.33 H new ATOM 0 HG3 GLN A 34 -3.580 -11.025 2.919 1.00 0.33 H new ATOM 0 HE21 GLN A 34 -3.898 -12.445 1.249 1.00 0.58 H new ATOM 0 HE22 GLN A 34 -4.811 -13.949 1.416 1.00 0.58 H new ATOM 548 N GLU A 35 -3.810 -9.494 7.738 1.00 0.28 N ATOM 549 CA GLU A 35 -3.729 -9.414 9.202 1.00 0.34 C ATOM 550 C GLU A 35 -4.666 -8.316 9.738 1.00 0.34 C ATOM 551 O GLU A 35 -5.222 -8.439 10.829 1.00 0.45 O ATOM 552 CB GLU A 35 -2.287 -9.122 9.652 1.00 0.37 C ATOM 553 CG GLU A 35 -1.288 -10.225 9.321 1.00 0.65 C ATOM 554 CD GLU A 35 -0.016 -10.118 10.136 1.00 1.20 C ATOM 555 OE1 GLU A 35 0.899 -9.381 9.718 1.00 1.78 O ATOM 556 OE2 GLU A 35 0.052 -10.743 11.213 1.00 1.94 O ATOM 0 H GLU A 35 -2.984 -9.142 7.254 1.00 0.28 H new ATOM 0 HA GLU A 35 -4.040 -10.377 9.607 1.00 0.34 H new ATOM 0 HB2 GLU A 35 -1.954 -8.195 9.185 1.00 0.37 H new ATOM 0 HB3 GLU A 35 -2.282 -8.956 10.729 1.00 0.37 H new ATOM 0 HG2 GLU A 35 -1.750 -11.196 9.501 1.00 0.65 H new ATOM 0 HG3 GLU A 35 -1.041 -10.181 8.260 1.00 0.65 H new ATOM 563 N GLN A 36 -4.827 -7.243 8.953 1.00 0.26 N ATOM 564 CA GLN A 36 -5.698 -6.119 9.316 1.00 0.28 C ATOM 565 C GLN A 36 -7.179 -6.526 9.279 1.00 0.30 C ATOM 566 O GLN A 36 -7.858 -6.516 10.308 1.00 0.39 O ATOM 567 CB GLN A 36 -5.448 -4.932 8.373 1.00 0.26 C ATOM 568 CG GLN A 36 -4.171 -4.152 8.689 1.00 0.31 C ATOM 569 CD GLN A 36 -4.426 -2.678 8.969 1.00 0.49 C ATOM 570 OE1 GLN A 36 -3.810 -1.806 8.184 1.00 1.42 O flip ATOM 571 NE2 GLN A 36 -5.194 -2.334 9.867 1.00 0.65 N flip ATOM 0 H GLN A 36 -4.360 -7.130 8.053 1.00 0.26 H new ATOM 0 HA GLN A 36 -5.458 -5.821 10.337 1.00 0.28 H new ATOM 0 HB2 GLN A 36 -5.394 -5.299 7.348 1.00 0.26 H new ATOM 0 HB3 GLN A 36 -6.299 -4.253 8.424 1.00 0.26 H new ATOM 0 HG2 GLN A 36 -3.683 -4.601 9.554 1.00 0.31 H new ATOM 0 HG3 GLN A 36 -3.480 -4.242 7.851 1.00 0.31 H new ATOM 0 HE21 GLN A 36 -5.647 -3.039 10.448 1.00 0.65 H new ATOM 0 HE22 GLN A 36 -5.377 -1.344 10.030 1.00 0.65 H new ATOM 580 N GLY A 37 -7.672 -6.871 8.088 1.00 0.28 N ATOM 581 CA GLY A 37 -9.065 -7.284 7.942 1.00 0.33 C ATOM 582 C GLY A 37 -9.533 -7.316 6.496 1.00 0.34 C ATOM 583 O GLY A 37 -10.682 -6.975 6.205 1.00 0.46 O ATOM 0 H GLY A 37 -7.134 -6.872 7.222 1.00 0.28 H new ATOM 0 HA2 GLY A 37 -9.191 -8.274 8.380 1.00 0.33 H new ATOM 0 HA3 GLY A 37 -9.700 -6.602 8.507 1.00 0.33 H new ATOM 587 N PHE A 38 -8.646 -7.732 5.587 1.00 0.30 N ATOM 588 CA PHE A 38 -8.968 -7.816 4.156 1.00 0.34 C ATOM 589 C PHE A 38 -8.510 -9.162 3.596 1.00 0.45 C ATOM 590 O PHE A 38 -7.316 -9.392 3.428 1.00 0.83 O ATOM 591 CB PHE A 38 -8.295 -6.677 3.373 1.00 0.31 C ATOM 592 CG PHE A 38 -8.433 -5.318 4.005 1.00 0.26 C ATOM 593 CD1 PHE A 38 -7.489 -4.853 4.910 1.00 1.24 C ATOM 594 CD2 PHE A 38 -9.496 -4.496 3.677 1.00 1.19 C ATOM 595 CE1 PHE A 38 -7.612 -3.608 5.481 1.00 1.26 C ATOM 596 CE2 PHE A 38 -9.625 -3.249 4.249 1.00 1.19 C ATOM 597 CZ PHE A 38 -8.679 -2.804 5.150 1.00 0.29 C ATOM 0 H PHE A 38 -7.694 -8.018 5.817 1.00 0.30 H new ATOM 0 HA PHE A 38 -10.048 -7.723 4.045 1.00 0.34 H new ATOM 0 HB2 PHE A 38 -7.235 -6.906 3.262 1.00 0.31 H new ATOM 0 HB3 PHE A 38 -8.720 -6.642 2.370 1.00 0.31 H new ATOM 0 HD1 PHE A 38 -6.647 -5.477 5.169 1.00 1.24 H new ATOM 0 HD2 PHE A 38 -10.233 -4.835 2.964 1.00 1.19 H new ATOM 0 HE1 PHE A 38 -6.873 -3.262 6.188 1.00 1.26 H new ATOM 0 HE2 PHE A 38 -10.465 -2.621 3.993 1.00 1.19 H new ATOM 0 HZ PHE A 38 -8.776 -1.825 5.595 1.00 0.29 H new ATOM 607 N ASP A 39 -9.462 -10.052 3.319 1.00 0.46 N ATOM 608 CA ASP A 39 -9.151 -11.392 2.790 1.00 0.58 C ATOM 609 C ASP A 39 -9.264 -11.448 1.270 1.00 0.69 C ATOM 610 O ASP A 39 -8.567 -12.214 0.603 1.00 1.55 O ATOM 611 CB ASP A 39 -10.075 -12.445 3.433 1.00 0.72 C ATOM 612 CG ASP A 39 -9.564 -13.861 3.258 1.00 1.53 C ATOM 613 OD1 ASP A 39 -8.776 -14.318 4.112 1.00 2.24 O ATOM 614 OD2 ASP A 39 -9.936 -14.511 2.259 1.00 2.21 O ATOM 0 H ASP A 39 -10.458 -9.875 3.450 1.00 0.46 H new ATOM 0 HA ASP A 39 -8.115 -11.614 3.048 1.00 0.58 H new ATOM 0 HB2 ASP A 39 -10.178 -12.230 4.497 1.00 0.72 H new ATOM 0 HB3 ASP A 39 -11.069 -12.366 2.994 1.00 0.72 H new ATOM 619 N ASN A 40 -10.137 -10.617 0.740 1.00 0.95 N ATOM 620 CA ASN A 40 -10.381 -10.530 -0.705 1.00 1.07 C ATOM 621 C ASN A 40 -9.301 -9.682 -1.397 1.00 0.91 C ATOM 622 O ASN A 40 -9.603 -8.819 -2.223 1.00 1.18 O ATOM 623 CB ASN A 40 -11.788 -9.947 -0.968 1.00 1.35 C ATOM 624 CG ASN A 40 -12.237 -10.099 -2.416 1.00 1.76 C ATOM 625 OD1 ASN A 40 -11.842 -11.042 -3.103 1.00 2.30 O ATOM 626 ND2 ASN A 40 -13.033 -9.153 -2.897 1.00 2.30 N ATOM 0 H ASN A 40 -10.706 -9.975 1.293 1.00 0.95 H new ATOM 0 HA ASN A 40 -10.333 -11.534 -1.126 1.00 1.07 H new ATOM 0 HB2 ASN A 40 -12.508 -10.443 -0.317 1.00 1.35 H new ATOM 0 HB3 ASN A 40 -11.792 -8.890 -0.702 1.00 1.35 H new ATOM 0 HD21 ASN A 40 -13.340 -9.190 -3.869 1.00 2.30 H new ATOM 0 HD22 ASN A 40 -13.338 -8.388 -2.295 1.00 2.30 H new ATOM 633 N ILE A 41 -8.038 -9.926 -1.037 1.00 0.58 N ATOM 634 CA ILE A 41 -6.895 -9.197 -1.598 1.00 0.44 C ATOM 635 C ILE A 41 -5.971 -10.171 -2.329 1.00 0.39 C ATOM 636 O ILE A 41 -5.751 -11.296 -1.873 1.00 0.62 O ATOM 637 CB ILE A 41 -6.118 -8.413 -0.485 1.00 0.40 C ATOM 638 CG1 ILE A 41 -6.599 -6.960 -0.431 1.00 0.60 C ATOM 639 CG2 ILE A 41 -4.605 -8.429 -0.695 1.00 0.39 C ATOM 640 CD1 ILE A 41 -8.097 -6.817 -0.326 1.00 1.68 C ATOM 0 H ILE A 41 -7.778 -10.633 -0.349 1.00 0.58 H new ATOM 0 HA ILE A 41 -7.268 -8.461 -2.311 1.00 0.44 H new ATOM 0 HB ILE A 41 -6.327 -8.921 0.456 1.00 0.40 H new ATOM 0 HG12 ILE A 41 -6.136 -6.465 0.423 1.00 0.60 H new ATOM 0 HG13 ILE A 41 -6.256 -6.440 -1.325 1.00 0.60 H new ATOM 0 HG21 ILE A 41 -4.121 -7.871 0.106 1.00 0.39 H new ATOM 0 HG22 ILE A 41 -4.247 -9.459 -0.687 1.00 0.39 H new ATOM 0 HG23 ILE A 41 -4.366 -7.969 -1.654 1.00 0.39 H new ATOM 0 HD11 ILE A 41 -8.360 -5.760 -0.293 1.00 1.68 H new ATOM 0 HD12 ILE A 41 -8.568 -7.281 -1.192 1.00 1.68 H new ATOM 0 HD13 ILE A 41 -8.446 -7.307 0.583 1.00 1.68 H new ATOM 652 N ASN A 42 -5.443 -9.727 -3.465 1.00 0.33 N ATOM 653 CA ASN A 42 -4.518 -10.537 -4.279 1.00 0.31 C ATOM 654 C ASN A 42 -3.317 -9.697 -4.736 1.00 0.24 C ATOM 655 O ASN A 42 -3.359 -8.463 -4.692 1.00 0.25 O ATOM 656 CB ASN A 42 -5.245 -11.159 -5.492 1.00 0.40 C ATOM 657 CG ASN A 42 -5.888 -10.135 -6.417 1.00 0.48 C ATOM 658 OD1 ASN A 42 -5.224 -9.555 -7.272 1.00 0.66 O ATOM 659 ND2 ASN A 42 -7.184 -9.912 -6.258 1.00 0.91 N ATOM 0 H ASN A 42 -5.637 -8.804 -3.853 1.00 0.33 H new ATOM 0 HA ASN A 42 -4.148 -11.351 -3.656 1.00 0.31 H new ATOM 0 HB2 ASN A 42 -4.533 -11.754 -6.064 1.00 0.40 H new ATOM 0 HB3 ASN A 42 -6.014 -11.842 -5.131 1.00 0.40 H new ATOM 0 HD21 ASN A 42 -7.663 -9.239 -6.857 1.00 0.91 H new ATOM 0 HD22 ASN A 42 -7.703 -10.413 -5.537 1.00 0.91 H new ATOM 666 N GLN A 43 -2.258 -10.375 -5.196 1.00 0.24 N ATOM 667 CA GLN A 43 -1.021 -9.712 -5.649 1.00 0.26 C ATOM 668 C GLN A 43 -1.276 -8.713 -6.792 1.00 0.22 C ATOM 669 O GLN A 43 -0.741 -7.605 -6.783 1.00 0.24 O ATOM 670 CB GLN A 43 0.017 -10.760 -6.091 1.00 0.37 C ATOM 671 CG GLN A 43 1.462 -10.290 -5.952 1.00 0.56 C ATOM 672 CD GLN A 43 2.417 -11.044 -6.860 1.00 0.88 C ATOM 673 OE1 GLN A 43 2.795 -10.556 -7.925 1.00 1.66 O ATOM 674 NE2 GLN A 43 2.780 -12.257 -6.466 1.00 1.43 N ATOM 0 H GLN A 43 -2.230 -11.392 -5.266 1.00 0.24 H new ATOM 0 HA GLN A 43 -0.633 -9.147 -4.801 1.00 0.26 H new ATOM 0 HB2 GLN A 43 -0.120 -11.665 -5.500 1.00 0.37 H new ATOM 0 HB3 GLN A 43 -0.170 -11.027 -7.131 1.00 0.37 H new ATOM 0 HG2 GLN A 43 1.516 -9.225 -6.179 1.00 0.56 H new ATOM 0 HG3 GLN A 43 1.781 -10.411 -4.917 1.00 0.56 H new ATOM 0 HE21 GLN A 43 2.445 -12.626 -5.576 1.00 1.43 H new ATOM 0 HE22 GLN A 43 3.394 -12.821 -7.053 1.00 1.43 H new ATOM 683 N SER A 44 -2.113 -9.107 -7.759 1.00 0.25 N ATOM 684 CA SER A 44 -2.463 -8.254 -8.905 1.00 0.29 C ATOM 685 C SER A 44 -3.080 -6.927 -8.446 1.00 0.28 C ATOM 686 O SER A 44 -2.625 -5.853 -8.839 1.00 0.34 O ATOM 687 CB SER A 44 -3.424 -8.986 -9.858 1.00 0.36 C ATOM 688 OG SER A 44 -3.545 -10.375 -9.557 1.00 0.83 O ATOM 0 H SER A 44 -2.566 -10.021 -7.771 1.00 0.25 H new ATOM 0 HA SER A 44 -1.541 -8.031 -9.442 1.00 0.29 H new ATOM 0 HB2 SER A 44 -4.408 -8.520 -9.804 1.00 0.36 H new ATOM 0 HB3 SER A 44 -3.072 -8.870 -10.883 1.00 0.36 H new ATOM 0 HG SER A 44 -4.128 -10.491 -8.778 1.00 0.83 H new ATOM 694 N LYS A 45 -4.071 -7.020 -7.559 1.00 0.27 N ATOM 695 CA LYS A 45 -4.751 -5.842 -6.992 1.00 0.30 C ATOM 696 C LYS A 45 -3.767 -4.929 -6.237 1.00 0.22 C ATOM 697 O LYS A 45 -3.873 -3.705 -6.297 1.00 0.26 O ATOM 698 CB LYS A 45 -5.877 -6.296 -6.047 1.00 0.39 C ATOM 699 CG LYS A 45 -6.967 -5.251 -5.818 1.00 0.64 C ATOM 700 CD LYS A 45 -8.357 -5.878 -5.811 1.00 1.44 C ATOM 701 CE LYS A 45 -9.450 -4.824 -5.695 1.00 1.92 C ATOM 702 NZ LYS A 45 -10.779 -5.430 -5.421 1.00 2.16 N ATOM 0 H LYS A 45 -4.429 -7.909 -7.210 1.00 0.27 H new ATOM 0 HA LYS A 45 -5.173 -5.267 -7.816 1.00 0.30 H new ATOM 0 HB2 LYS A 45 -6.335 -7.198 -6.454 1.00 0.39 H new ATOM 0 HB3 LYS A 45 -5.441 -6.566 -5.085 1.00 0.39 H new ATOM 0 HG2 LYS A 45 -6.792 -4.744 -4.869 1.00 0.64 H new ATOM 0 HG3 LYS A 45 -6.914 -4.493 -6.599 1.00 0.64 H new ATOM 0 HD2 LYS A 45 -8.501 -6.453 -6.726 1.00 1.44 H new ATOM 0 HD3 LYS A 45 -8.436 -6.578 -4.979 1.00 1.44 H new ATOM 0 HE2 LYS A 45 -9.198 -4.126 -4.896 1.00 1.92 H new ATOM 0 HE3 LYS A 45 -9.498 -4.248 -6.619 1.00 1.92 H new ATOM 0 HZ1 LYS A 45 -11.495 -4.679 -5.349 1.00 2.16 H new ATOM 0 HZ2 LYS A 45 -11.032 -6.077 -6.195 1.00 2.16 H new ATOM 0 HZ3 LYS A 45 -10.742 -5.959 -4.526 1.00 2.16 H new ATOM 716 N VAL A 46 -2.813 -5.543 -5.535 1.00 0.17 N ATOM 717 CA VAL A 46 -1.771 -4.818 -4.792 1.00 0.15 C ATOM 718 C VAL A 46 -0.812 -4.103 -5.756 1.00 0.15 C ATOM 719 O VAL A 46 -0.416 -2.963 -5.508 1.00 0.20 O ATOM 720 CB VAL A 46 -1.024 -5.787 -3.837 1.00 0.18 C ATOM 721 CG1 VAL A 46 0.289 -5.216 -3.322 1.00 0.23 C ATOM 722 CG2 VAL A 46 -1.935 -6.135 -2.666 1.00 0.22 C ATOM 0 H VAL A 46 -2.738 -6.558 -5.463 1.00 0.17 H new ATOM 0 HA VAL A 46 -2.240 -4.047 -4.180 1.00 0.15 H new ATOM 0 HB VAL A 46 -0.773 -6.682 -4.407 1.00 0.18 H new ATOM 0 HG11 VAL A 46 0.765 -5.939 -2.659 1.00 0.23 H new ATOM 0 HG12 VAL A 46 0.949 -5.005 -4.163 1.00 0.23 H new ATOM 0 HG13 VAL A 46 0.095 -4.294 -2.774 1.00 0.23 H new ATOM 0 HG21 VAL A 46 -1.416 -6.816 -1.991 1.00 0.22 H new ATOM 0 HG22 VAL A 46 -2.201 -5.225 -2.129 1.00 0.22 H new ATOM 0 HG23 VAL A 46 -2.840 -6.614 -3.039 1.00 0.22 H new ATOM 732 N SER A 47 -0.526 -4.734 -6.898 1.00 0.17 N ATOM 733 CA SER A 47 0.303 -4.118 -7.941 1.00 0.21 C ATOM 734 C SER A 47 -0.469 -2.991 -8.652 1.00 0.22 C ATOM 735 O SER A 47 0.109 -1.958 -9.005 1.00 0.24 O ATOM 736 CB SER A 47 0.749 -5.172 -8.957 1.00 0.29 C ATOM 737 OG SER A 47 1.885 -4.741 -9.691 1.00 1.26 O ATOM 0 H SER A 47 -0.856 -5.672 -7.125 1.00 0.17 H new ATOM 0 HA SER A 47 1.186 -3.689 -7.468 1.00 0.21 H new ATOM 0 HB2 SER A 47 0.981 -6.103 -8.439 1.00 0.29 H new ATOM 0 HB3 SER A 47 -0.070 -5.385 -9.644 1.00 0.29 H new ATOM 0 HG SER A 47 1.852 -3.768 -9.803 1.00 1.26 H new ATOM 743 N ARG A 48 -1.782 -3.191 -8.841 1.00 0.23 N ATOM 744 CA ARG A 48 -2.646 -2.179 -9.463 1.00 0.26 C ATOM 745 C ARG A 48 -2.738 -0.934 -8.579 1.00 0.20 C ATOM 746 O ARG A 48 -2.598 0.188 -9.060 1.00 0.22 O ATOM 747 CB ARG A 48 -4.053 -2.744 -9.717 1.00 0.32 C ATOM 748 CG ARG A 48 -4.150 -3.653 -10.943 1.00 0.41 C ATOM 749 CD ARG A 48 -5.305 -3.250 -11.856 1.00 1.03 C ATOM 750 NE ARG A 48 -6.613 -3.446 -11.218 1.00 1.58 N ATOM 751 CZ ARG A 48 -7.777 -3.103 -11.778 1.00 2.32 C ATOM 752 NH1 ARG A 48 -7.799 -2.527 -12.973 1.00 2.75 N ATOM 753 NH2 ARG A 48 -8.915 -3.322 -11.131 1.00 3.20 N ATOM 0 H ARG A 48 -2.268 -4.046 -8.571 1.00 0.23 H new ATOM 0 HA ARG A 48 -2.203 -1.901 -10.420 1.00 0.26 H new ATOM 0 HB2 ARG A 48 -4.372 -3.303 -8.838 1.00 0.32 H new ATOM 0 HB3 ARG A 48 -4.750 -1.914 -9.837 1.00 0.32 H new ATOM 0 HG2 ARG A 48 -3.214 -3.613 -11.501 1.00 0.41 H new ATOM 0 HG3 ARG A 48 -4.284 -4.685 -10.621 1.00 0.41 H new ATOM 0 HD2 ARG A 48 -5.194 -2.203 -12.138 1.00 1.03 H new ATOM 0 HD3 ARG A 48 -5.260 -3.834 -12.775 1.00 1.03 H new ATOM 0 HE ARG A 48 -6.635 -3.870 -10.291 1.00 1.58 H new ATOM 0 HH11 ARG A 48 -6.926 -2.345 -13.467 1.00 2.75 H new ATOM 0 HH12 ARG A 48 -8.689 -2.267 -13.397 1.00 2.75 H new ATOM 0 HH21 ARG A 48 -8.901 -3.752 -10.206 1.00 3.20 H new ATOM 0 HH22 ARG A 48 -9.803 -3.060 -11.559 1.00 3.20 H new ATOM 767 N MET A 49 -2.923 -1.151 -7.275 1.00 0.17 N ATOM 768 CA MET A 49 -2.991 -0.056 -6.310 1.00 0.16 C ATOM 769 C MET A 49 -1.638 0.664 -6.189 1.00 0.13 C ATOM 770 O MET A 49 -1.599 1.884 -6.061 1.00 0.14 O ATOM 771 CB MET A 49 -3.461 -0.573 -4.941 1.00 0.18 C ATOM 772 CG MET A 49 -4.956 -0.851 -4.883 1.00 0.27 C ATOM 773 SD MET A 49 -5.549 -1.156 -3.206 1.00 1.49 S ATOM 774 CE MET A 49 -7.318 -1.251 -3.475 1.00 2.00 C ATOM 0 H MET A 49 -3.028 -2.079 -6.864 1.00 0.17 H new ATOM 0 HA MET A 49 -3.720 0.669 -6.673 1.00 0.16 H new ATOM 0 HB2 MET A 49 -2.919 -1.487 -4.700 1.00 0.18 H new ATOM 0 HB3 MET A 49 -3.205 0.160 -4.176 1.00 0.18 H new ATOM 0 HG2 MET A 49 -5.495 -0.003 -5.305 1.00 0.27 H new ATOM 0 HG3 MET A 49 -5.184 -1.715 -5.507 1.00 0.27 H new ATOM 0 HE1 MET A 49 -7.836 -0.716 -2.679 1.00 2.00 H new ATOM 0 HE2 MET A 49 -7.565 -0.799 -4.436 1.00 2.00 H new ATOM 0 HE3 MET A 49 -7.631 -2.295 -3.474 1.00 2.00 H new ATOM 784 N LEU A 50 -0.531 -0.087 -6.296 1.00 0.13 N ATOM 785 CA LEU A 50 0.819 0.510 -6.267 1.00 0.14 C ATOM 786 C LEU A 50 1.018 1.484 -7.433 1.00 0.17 C ATOM 787 O LEU A 50 1.565 2.574 -7.260 1.00 0.21 O ATOM 788 CB LEU A 50 1.909 -0.581 -6.298 1.00 0.18 C ATOM 789 CG LEU A 50 2.313 -1.127 -4.923 1.00 0.19 C ATOM 790 CD1 LEU A 50 2.906 -2.524 -5.043 1.00 0.33 C ATOM 791 CD2 LEU A 50 3.295 -0.197 -4.228 1.00 0.32 C ATOM 0 H LEU A 50 -0.540 -1.101 -6.403 1.00 0.13 H new ATOM 0 HA LEU A 50 0.910 1.065 -5.333 1.00 0.14 H new ATOM 0 HB2 LEU A 50 1.557 -1.409 -6.913 1.00 0.18 H new ATOM 0 HB3 LEU A 50 2.795 -0.176 -6.787 1.00 0.18 H new ATOM 0 HG LEU A 50 1.409 -1.186 -4.316 1.00 0.19 H new ATOM 0 HD11 LEU A 50 3.184 -2.887 -4.054 1.00 0.33 H new ATOM 0 HD12 LEU A 50 2.169 -3.196 -5.482 1.00 0.33 H new ATOM 0 HD13 LEU A 50 3.791 -2.490 -5.679 1.00 0.33 H new ATOM 0 HD21 LEU A 50 3.563 -0.611 -3.256 1.00 0.32 H new ATOM 0 HD22 LEU A 50 4.192 -0.094 -4.838 1.00 0.32 H new ATOM 0 HD23 LEU A 50 2.835 0.782 -4.091 1.00 0.32 H new ATOM 803 N THR A 51 0.547 1.085 -8.615 1.00 0.19 N ATOM 804 CA THR A 51 0.635 1.918 -9.818 1.00 0.23 C ATOM 805 C THR A 51 -0.383 3.073 -9.761 1.00 0.24 C ATOM 806 O THR A 51 -0.038 4.228 -10.010 1.00 0.32 O ATOM 807 CB THR A 51 0.410 1.051 -11.075 1.00 0.28 C ATOM 808 OG1 THR A 51 1.118 -0.181 -10.970 1.00 0.35 O ATOM 809 CG2 THR A 51 0.851 1.715 -12.364 1.00 0.34 C ATOM 0 H THR A 51 0.097 0.182 -8.767 1.00 0.19 H new ATOM 0 HA THR A 51 1.632 2.356 -9.868 1.00 0.23 H new ATOM 0 HB THR A 51 -0.668 0.895 -11.118 1.00 0.28 H new ATOM 0 HG1 THR A 51 0.637 -0.784 -10.366 1.00 0.35 H new ATOM 0 HG21 THR A 51 0.661 1.045 -13.202 1.00 0.34 H new ATOM 0 HG22 THR A 51 0.293 2.641 -12.506 1.00 0.34 H new ATOM 0 HG23 THR A 51 1.917 1.938 -12.312 1.00 0.34 H new ATOM 817 N LYS A 52 -1.623 2.749 -9.370 1.00 0.20 N ATOM 818 CA LYS A 52 -2.712 3.729 -9.257 1.00 0.22 C ATOM 819 C LYS A 52 -2.386 4.846 -8.254 1.00 0.24 C ATOM 820 O LYS A 52 -2.591 6.027 -8.544 1.00 0.32 O ATOM 821 CB LYS A 52 -4.006 3.006 -8.844 1.00 0.22 C ATOM 822 CG LYS A 52 -5.207 3.925 -8.612 1.00 0.32 C ATOM 823 CD LYS A 52 -5.453 4.175 -7.124 1.00 0.46 C ATOM 824 CE LYS A 52 -6.856 4.705 -6.853 1.00 0.74 C ATOM 825 NZ LYS A 52 -6.992 6.141 -7.229 1.00 1.23 N ATOM 0 H LYS A 52 -1.900 1.799 -9.123 1.00 0.20 H new ATOM 0 HA LYS A 52 -2.842 4.201 -10.231 1.00 0.22 H new ATOM 0 HB2 LYS A 52 -4.264 2.282 -9.617 1.00 0.22 H new ATOM 0 HB3 LYS A 52 -3.815 2.443 -7.931 1.00 0.22 H new ATOM 0 HG2 LYS A 52 -5.040 4.876 -9.117 1.00 0.32 H new ATOM 0 HG3 LYS A 52 -6.097 3.480 -9.057 1.00 0.32 H new ATOM 0 HD2 LYS A 52 -5.304 3.247 -6.572 1.00 0.46 H new ATOM 0 HD3 LYS A 52 -4.719 4.889 -6.751 1.00 0.46 H new ATOM 0 HE2 LYS A 52 -7.581 4.114 -7.412 1.00 0.74 H new ATOM 0 HE3 LYS A 52 -7.092 4.583 -5.796 1.00 0.74 H new ATOM 0 HZ1 LYS A 52 -7.961 6.462 -7.029 1.00 1.23 H new ATOM 0 HZ2 LYS A 52 -6.318 6.710 -6.678 1.00 1.23 H new ATOM 0 HZ3 LYS A 52 -6.792 6.255 -8.243 1.00 1.23 H new ATOM 839 N PHE A 53 -1.893 4.464 -7.071 1.00 0.23 N ATOM 840 CA PHE A 53 -1.548 5.430 -6.020 1.00 0.27 C ATOM 841 C PHE A 53 -0.161 6.063 -6.241 1.00 0.31 C ATOM 842 O PHE A 53 0.258 6.922 -5.463 1.00 0.49 O ATOM 843 CB PHE A 53 -1.624 4.756 -4.634 1.00 0.25 C ATOM 844 CG PHE A 53 -3.027 4.383 -4.216 1.00 0.27 C ATOM 845 CD1 PHE A 53 -4.046 5.329 -4.199 1.00 1.13 C ATOM 846 CD2 PHE A 53 -3.331 3.080 -3.860 1.00 1.24 C ATOM 847 CE1 PHE A 53 -5.330 4.977 -3.829 1.00 1.13 C ATOM 848 CE2 PHE A 53 -4.610 2.725 -3.490 1.00 1.27 C ATOM 849 CZ PHE A 53 -5.611 3.672 -3.475 1.00 0.37 C ATOM 0 H PHE A 53 -1.723 3.491 -6.816 1.00 0.23 H new ATOM 0 HA PHE A 53 -2.277 6.239 -6.066 1.00 0.27 H new ATOM 0 HB2 PHE A 53 -1.006 3.858 -4.642 1.00 0.25 H new ATOM 0 HB3 PHE A 53 -1.199 5.429 -3.889 1.00 0.25 H new ATOM 0 HD1 PHE A 53 -3.832 6.350 -4.478 1.00 1.13 H new ATOM 0 HD2 PHE A 53 -2.554 2.330 -3.872 1.00 1.24 H new ATOM 0 HE1 PHE A 53 -6.113 5.721 -3.817 1.00 1.13 H new ATOM 0 HE2 PHE A 53 -4.828 1.704 -3.212 1.00 1.27 H new ATOM 0 HZ PHE A 53 -6.614 3.394 -3.187 1.00 0.37 H new ATOM 859 N GLY A 54 0.540 5.640 -7.306 1.00 0.27 N ATOM 860 CA GLY A 54 1.850 6.203 -7.641 1.00 0.32 C ATOM 861 C GLY A 54 2.906 5.991 -6.568 1.00 0.28 C ATOM 862 O GLY A 54 3.602 6.933 -6.183 1.00 0.32 O ATOM 0 H GLY A 54 0.219 4.913 -7.945 1.00 0.27 H new ATOM 0 HA2 GLY A 54 2.198 5.757 -8.573 1.00 0.32 H new ATOM 0 HA3 GLY A 54 1.739 7.272 -7.821 1.00 0.32 H new ATOM 866 N ALA A 55 3.037 4.752 -6.091 1.00 0.25 N ATOM 867 CA ALA A 55 4.016 4.416 -5.051 1.00 0.24 C ATOM 868 C ALA A 55 5.433 4.322 -5.626 1.00 0.25 C ATOM 869 O ALA A 55 5.621 3.920 -6.778 1.00 0.43 O ATOM 870 CB ALA A 55 3.634 3.108 -4.369 1.00 0.30 C ATOM 0 H ALA A 55 2.476 3.961 -6.408 1.00 0.25 H new ATOM 0 HA ALA A 55 4.008 5.218 -4.312 1.00 0.24 H new ATOM 0 HB1 ALA A 55 4.369 2.871 -3.600 1.00 0.30 H new ATOM 0 HB2 ALA A 55 2.650 3.210 -3.912 1.00 0.30 H new ATOM 0 HB3 ALA A 55 3.610 2.306 -5.107 1.00 0.30 H new ATOM 876 N VAL A 56 6.425 4.678 -4.806 1.00 0.22 N ATOM 877 CA VAL A 56 7.835 4.638 -5.206 1.00 0.26 C ATOM 878 C VAL A 56 8.658 3.792 -4.222 1.00 0.26 C ATOM 879 O VAL A 56 8.367 3.759 -3.025 1.00 0.39 O ATOM 880 CB VAL A 56 8.441 6.068 -5.286 1.00 0.34 C ATOM 881 CG1 VAL A 56 7.987 6.774 -6.557 1.00 0.55 C ATOM 882 CG2 VAL A 56 8.073 6.898 -4.057 1.00 0.44 C ATOM 0 H VAL A 56 6.275 5.001 -3.850 1.00 0.22 H new ATOM 0 HA VAL A 56 7.877 4.183 -6.196 1.00 0.26 H new ATOM 0 HB VAL A 56 9.526 5.966 -5.311 1.00 0.34 H new ATOM 0 HG11 VAL A 56 8.422 7.773 -6.594 1.00 0.55 H new ATOM 0 HG12 VAL A 56 8.314 6.204 -7.427 1.00 0.55 H new ATOM 0 HG13 VAL A 56 6.900 6.851 -6.562 1.00 0.55 H new ATOM 0 HG21 VAL A 56 8.512 7.892 -4.144 1.00 0.44 H new ATOM 0 HG22 VAL A 56 6.989 6.985 -3.988 1.00 0.44 H new ATOM 0 HG23 VAL A 56 8.455 6.410 -3.161 1.00 0.44 H new ATOM 892 N ARG A 57 9.685 3.110 -4.738 1.00 0.39 N ATOM 893 CA ARG A 57 10.579 2.283 -3.916 1.00 0.41 C ATOM 894 C ARG A 57 11.812 3.093 -3.501 1.00 0.46 C ATOM 895 O ARG A 57 12.522 3.623 -4.361 1.00 0.58 O ATOM 896 CB ARG A 57 11.028 1.039 -4.697 1.00 0.48 C ATOM 897 CG ARG A 57 9.881 0.186 -5.231 1.00 0.65 C ATOM 898 CD ARG A 57 10.384 -0.934 -6.135 1.00 0.87 C ATOM 899 NE ARG A 57 11.462 -1.710 -5.507 1.00 0.83 N ATOM 900 CZ ARG A 57 11.269 -2.681 -4.610 1.00 1.10 C ATOM 901 NH1 ARG A 57 10.034 -3.000 -4.236 1.00 1.87 N ATOM 902 NH2 ARG A 57 12.308 -3.323 -4.089 1.00 1.34 N ATOM 0 H ARG A 57 9.921 3.114 -5.730 1.00 0.39 H new ATOM 0 HA ARG A 57 10.034 1.969 -3.026 1.00 0.41 H new ATOM 0 HB2 ARG A 57 11.651 1.355 -5.534 1.00 0.48 H new ATOM 0 HB3 ARG A 57 11.652 0.423 -4.049 1.00 0.48 H new ATOM 0 HG2 ARG A 57 9.326 -0.242 -4.396 1.00 0.65 H new ATOM 0 HG3 ARG A 57 9.186 0.817 -5.785 1.00 0.65 H new ATOM 0 HD2 ARG A 57 9.556 -1.599 -6.382 1.00 0.87 H new ATOM 0 HD3 ARG A 57 10.743 -0.509 -7.072 1.00 0.87 H new ATOM 0 HE ARG A 57 12.422 -1.493 -5.774 1.00 0.83 H new ATOM 0 HH11 ARG A 57 9.236 -2.504 -4.634 1.00 1.87 H new ATOM 0 HH12 ARG A 57 9.884 -3.741 -3.551 1.00 1.87 H new ATOM 0 HH21 ARG A 57 13.256 -3.075 -4.374 1.00 1.34 H new ATOM 0 HH22 ARG A 57 12.158 -4.064 -3.404 1.00 1.34 H new ATOM 916 N THR A 58 12.080 3.181 -2.196 1.00 0.44 N ATOM 917 CA THR A 58 13.235 3.951 -1.711 1.00 0.54 C ATOM 918 C THR A 58 13.704 3.468 -0.332 1.00 0.50 C ATOM 919 O THR A 58 13.082 2.606 0.292 1.00 0.44 O ATOM 920 CB THR A 58 12.894 5.456 -1.674 1.00 0.69 C ATOM 921 OG1 THR A 58 14.070 6.248 -1.604 1.00 1.32 O ATOM 922 CG2 THR A 58 12.002 5.861 -0.515 1.00 1.17 C ATOM 0 H THR A 58 11.525 2.738 -1.464 1.00 0.44 H new ATOM 0 HA THR A 58 14.058 3.791 -2.407 1.00 0.54 H new ATOM 0 HB THR A 58 12.351 5.633 -2.602 1.00 0.69 H new ATOM 0 HG1 THR A 58 13.825 7.197 -1.584 1.00 1.32 H new ATOM 0 HG21 THR A 58 11.810 6.933 -0.561 1.00 1.17 H new ATOM 0 HG22 THR A 58 11.058 5.320 -0.576 1.00 1.17 H new ATOM 0 HG23 THR A 58 12.497 5.621 0.426 1.00 1.17 H new ATOM 930 N ARG A 59 14.824 4.041 0.125 1.00 0.59 N ATOM 931 CA ARG A 59 15.411 3.713 1.426 1.00 0.63 C ATOM 932 C ARG A 59 14.608 4.352 2.569 1.00 0.69 C ATOM 933 O ARG A 59 14.258 5.534 2.503 1.00 0.83 O ATOM 934 CB ARG A 59 16.879 4.198 1.482 1.00 0.78 C ATOM 935 CG ARG A 59 17.912 3.077 1.426 1.00 1.38 C ATOM 936 CD ARG A 59 19.266 3.531 1.970 1.00 1.32 C ATOM 937 NE ARG A 59 19.738 4.755 1.309 1.00 1.45 N ATOM 938 CZ ARG A 59 20.863 5.398 1.626 1.00 1.72 C ATOM 939 NH1 ARG A 59 21.660 4.940 2.577 1.00 2.35 N ATOM 940 NH2 ARG A 59 21.191 6.503 0.969 1.00 2.08 N ATOM 0 H ARG A 59 15.347 4.744 -0.397 1.00 0.59 H new ATOM 0 HA ARG A 59 15.382 2.630 1.549 1.00 0.63 H new ATOM 0 HB2 ARG A 59 17.056 4.881 0.651 1.00 0.78 H new ATOM 0 HB3 ARG A 59 17.027 4.767 2.400 1.00 0.78 H new ATOM 0 HG2 ARG A 59 17.555 2.224 2.003 1.00 1.38 H new ATOM 0 HG3 ARG A 59 18.028 2.739 0.396 1.00 1.38 H new ATOM 0 HD2 ARG A 59 19.186 3.705 3.043 1.00 1.32 H new ATOM 0 HD3 ARG A 59 19.999 2.736 1.829 1.00 1.32 H new ATOM 0 HE ARG A 59 19.167 5.139 0.556 1.00 1.45 H new ATOM 0 HH11 ARG A 59 21.417 4.085 3.078 1.00 2.35 H new ATOM 0 HH12 ARG A 59 22.517 5.441 2.809 1.00 2.35 H new ATOM 0 HH21 ARG A 59 20.585 6.855 0.228 1.00 2.08 H new ATOM 0 HH22 ARG A 59 22.049 7.001 1.205 1.00 2.08 H new ATOM 954 N ASN A 60 14.349 3.576 3.624 1.00 0.68 N ATOM 955 CA ASN A 60 13.622 4.074 4.804 1.00 0.81 C ATOM 956 C ASN A 60 14.601 4.571 5.880 1.00 0.95 C ATOM 957 O ASN A 60 15.707 5.013 5.565 1.00 1.04 O ATOM 958 CB ASN A 60 12.659 2.991 5.354 1.00 0.82 C ATOM 959 CG ASN A 60 13.345 1.724 5.852 1.00 0.78 C ATOM 960 OD1 ASN A 60 14.573 1.616 5.840 1.00 1.00 O ATOM 961 ND2 ASN A 60 12.552 0.758 6.292 1.00 0.83 N ATOM 0 H ASN A 60 14.631 2.598 3.689 1.00 0.68 H new ATOM 0 HA ASN A 60 13.014 4.926 4.501 1.00 0.81 H new ATOM 0 HB2 ASN A 60 12.080 3.420 6.172 1.00 0.82 H new ATOM 0 HB3 ASN A 60 11.952 2.721 4.570 1.00 0.82 H new ATOM 0 HD21 ASN A 60 12.953 -0.114 6.637 1.00 0.83 H new ATOM 0 HD22 ASN A 60 11.540 0.886 6.286 1.00 0.83 H new ATOM 968 N ALA A 61 14.184 4.502 7.145 1.00 1.04 N ATOM 969 CA ALA A 61 15.013 4.949 8.272 1.00 1.20 C ATOM 970 C ALA A 61 16.178 3.989 8.556 1.00 1.20 C ATOM 971 O ALA A 61 17.180 4.393 9.146 1.00 1.38 O ATOM 972 CB ALA A 61 14.152 5.118 9.522 1.00 1.32 C ATOM 0 H ALA A 61 13.271 4.139 7.419 1.00 1.04 H new ATOM 0 HA ALA A 61 15.447 5.910 7.995 1.00 1.20 H new ATOM 0 HB1 ALA A 61 14.776 5.450 10.352 1.00 1.32 H new ATOM 0 HB2 ALA A 61 13.377 5.860 9.332 1.00 1.32 H new ATOM 0 HB3 ALA A 61 13.688 4.165 9.776 1.00 1.32 H new ATOM 978 N LYS A 62 16.034 2.717 8.157 1.00 1.07 N ATOM 979 CA LYS A 62 17.071 1.706 8.400 1.00 1.12 C ATOM 980 C LYS A 62 17.592 1.077 7.105 1.00 1.01 C ATOM 981 O LYS A 62 17.679 -0.146 6.998 1.00 1.02 O ATOM 982 CB LYS A 62 16.538 0.611 9.323 1.00 1.21 C ATOM 983 CG LYS A 62 16.063 1.129 10.674 1.00 1.40 C ATOM 984 CD LYS A 62 15.981 0.018 11.711 1.00 2.00 C ATOM 985 CE LYS A 62 14.829 0.245 12.682 1.00 2.34 C ATOM 986 NZ LYS A 62 13.512 -0.157 12.110 1.00 2.62 N ATOM 0 H LYS A 62 15.212 2.365 7.666 1.00 1.07 H new ATOM 0 HA LYS A 62 17.906 2.219 8.876 1.00 1.12 H new ATOM 0 HB2 LYS A 62 15.712 0.101 8.828 1.00 1.21 H new ATOM 0 HB3 LYS A 62 17.321 -0.131 9.483 1.00 1.21 H new ATOM 0 HG2 LYS A 62 16.744 1.904 11.025 1.00 1.40 H new ATOM 0 HG3 LYS A 62 15.083 1.593 10.561 1.00 1.40 H new ATOM 0 HD2 LYS A 62 15.852 -0.941 11.209 1.00 2.00 H new ATOM 0 HD3 LYS A 62 16.919 -0.035 12.264 1.00 2.00 H new ATOM 0 HE2 LYS A 62 15.012 -0.320 13.596 1.00 2.34 H new ATOM 0 HE3 LYS A 62 14.794 1.298 12.960 1.00 2.34 H new ATOM 0 HZ1 LYS A 62 12.762 0.017 12.809 1.00 2.62 H new ATOM 0 HZ2 LYS A 62 13.322 0.399 11.252 1.00 2.62 H new ATOM 0 HZ3 LYS A 62 13.532 -1.168 11.869 1.00 2.62 H new ATOM 1000 N MET A 63 17.977 1.931 6.159 1.00 0.97 N ATOM 1001 CA MET A 63 18.567 1.528 4.865 1.00 0.94 C ATOM 1002 C MET A 63 17.879 0.344 4.168 1.00 0.80 C ATOM 1003 O MET A 63 18.545 -0.428 3.472 1.00 0.86 O ATOM 1004 CB MET A 63 20.071 1.223 5.011 1.00 1.12 C ATOM 1005 CG MET A 63 20.415 0.124 6.015 1.00 1.30 C ATOM 1006 SD MET A 63 22.032 -0.617 5.708 1.00 2.18 S ATOM 1007 CE MET A 63 21.599 -1.894 4.526 1.00 3.12 C ATOM 0 H MET A 63 17.890 2.942 6.263 1.00 0.97 H new ATOM 0 HA MET A 63 18.407 2.394 4.222 1.00 0.94 H new ATOM 0 HB2 MET A 63 20.465 0.938 4.035 1.00 1.12 H new ATOM 0 HB3 MET A 63 20.584 2.138 5.307 1.00 1.12 H new ATOM 0 HG2 MET A 63 20.395 0.539 7.023 1.00 1.30 H new ATOM 0 HG3 MET A 63 19.651 -0.652 5.975 1.00 1.30 H new ATOM 0 HE1 MET A 63 22.496 -2.442 4.238 1.00 3.12 H new ATOM 0 HE2 MET A 63 20.883 -2.581 4.978 1.00 3.12 H new ATOM 0 HE3 MET A 63 21.154 -1.436 3.642 1.00 3.12 H new ATOM 1017 N GLU A 64 16.563 0.238 4.282 1.00 0.73 N ATOM 1018 CA GLU A 64 15.829 -0.834 3.614 1.00 0.64 C ATOM 1019 C GLU A 64 15.013 -0.274 2.449 1.00 0.52 C ATOM 1020 O GLU A 64 14.301 0.720 2.607 1.00 0.49 O ATOM 1021 CB GLU A 64 14.903 -1.563 4.601 1.00 0.70 C ATOM 1022 CG GLU A 64 15.642 -2.460 5.592 1.00 0.88 C ATOM 1023 CD GLU A 64 14.939 -3.781 5.838 1.00 1.35 C ATOM 1024 OE1 GLU A 64 14.577 -4.460 4.856 1.00 1.79 O ATOM 1025 OE2 GLU A 64 14.743 -4.137 7.015 1.00 2.03 O ATOM 0 H GLU A 64 15.982 0.875 4.827 1.00 0.73 H new ATOM 0 HA GLU A 64 16.554 -1.550 3.228 1.00 0.64 H new ATOM 0 HB2 GLU A 64 14.325 -0.824 5.156 1.00 0.70 H new ATOM 0 HB3 GLU A 64 14.192 -2.168 4.038 1.00 0.70 H new ATOM 0 HG2 GLU A 64 16.647 -2.654 5.217 1.00 0.88 H new ATOM 0 HG3 GLU A 64 15.752 -1.932 6.539 1.00 0.88 H new ATOM 1032 N MET A 65 15.127 -0.910 1.279 1.00 0.52 N ATOM 1033 CA MET A 65 14.367 -0.501 0.092 1.00 0.48 C ATOM 1034 C MET A 65 12.904 -0.922 0.237 1.00 0.43 C ATOM 1035 O MET A 65 12.586 -2.114 0.185 1.00 0.62 O ATOM 1036 CB MET A 65 14.981 -1.108 -1.179 1.00 0.58 C ATOM 1037 CG MET A 65 16.357 -0.544 -1.517 1.00 0.71 C ATOM 1038 SD MET A 65 16.662 -0.450 -3.288 1.00 1.38 S ATOM 1039 CE MET A 65 15.901 1.125 -3.689 1.00 1.18 C ATOM 0 H MET A 65 15.739 -1.712 1.128 1.00 0.52 H new ATOM 0 HA MET A 65 14.412 0.585 0.005 1.00 0.48 H new ATOM 0 HB2 MET A 65 15.060 -2.188 -1.055 1.00 0.58 H new ATOM 0 HB3 MET A 65 14.308 -0.932 -2.018 1.00 0.58 H new ATOM 0 HG2 MET A 65 16.452 0.452 -1.084 1.00 0.71 H new ATOM 0 HG3 MET A 65 17.123 -1.167 -1.054 1.00 0.71 H new ATOM 0 HE1 MET A 65 16.010 1.321 -4.756 1.00 1.18 H new ATOM 0 HE2 MET A 65 14.842 1.093 -3.433 1.00 1.18 H new ATOM 0 HE3 MET A 65 16.388 1.919 -3.123 1.00 1.18 H new ATOM 1049 N VAL A 66 12.036 0.053 0.496 1.00 0.32 N ATOM 1050 CA VAL A 66 10.615 -0.203 0.728 1.00 0.28 C ATOM 1051 C VAL A 66 9.715 0.716 -0.101 1.00 0.25 C ATOM 1052 O VAL A 66 10.140 1.771 -0.581 1.00 0.30 O ATOM 1053 CB VAL A 66 10.259 -0.055 2.234 1.00 0.29 C ATOM 1054 CG1 VAL A 66 11.002 -1.099 3.064 1.00 0.32 C ATOM 1055 CG2 VAL A 66 10.575 1.351 2.737 1.00 0.31 C ATOM 0 H VAL A 66 12.295 1.038 0.551 1.00 0.32 H new ATOM 0 HA VAL A 66 10.433 -1.230 0.411 1.00 0.28 H new ATOM 0 HB VAL A 66 9.187 -0.220 2.345 1.00 0.29 H new ATOM 0 HG11 VAL A 66 10.741 -0.981 4.116 1.00 0.32 H new ATOM 0 HG12 VAL A 66 10.720 -2.097 2.730 1.00 0.32 H new ATOM 0 HG13 VAL A 66 12.077 -0.965 2.940 1.00 0.32 H new ATOM 0 HG21 VAL A 66 10.316 1.426 3.793 1.00 0.31 H new ATOM 0 HG22 VAL A 66 11.638 1.553 2.609 1.00 0.31 H new ATOM 0 HG23 VAL A 66 9.996 2.079 2.169 1.00 0.31 H new ATOM 1065 N TYR A 67 8.466 0.286 -0.255 1.00 0.23 N ATOM 1066 CA TYR A 67 7.436 1.036 -0.967 1.00 0.22 C ATOM 1067 C TYR A 67 6.913 2.178 -0.095 1.00 0.23 C ATOM 1068 O TYR A 67 6.471 1.945 1.030 1.00 0.36 O ATOM 1069 CB TYR A 67 6.253 0.113 -1.318 1.00 0.22 C ATOM 1070 CG TYR A 67 6.425 -0.721 -2.572 1.00 0.20 C ATOM 1071 CD1 TYR A 67 6.740 -0.123 -3.783 1.00 1.16 C ATOM 1072 CD2 TYR A 67 6.187 -2.094 -2.558 1.00 1.15 C ATOM 1073 CE1 TYR A 67 6.862 -0.872 -4.937 1.00 1.13 C ATOM 1074 CE2 TYR A 67 6.308 -2.851 -3.705 1.00 1.19 C ATOM 1075 CZ TYR A 67 6.643 -2.237 -4.895 1.00 0.26 C ATOM 1076 OH TYR A 67 6.770 -2.990 -6.042 1.00 0.32 O ATOM 0 H TYR A 67 8.136 -0.605 0.116 1.00 0.23 H new ATOM 0 HA TYR A 67 7.879 1.438 -1.878 1.00 0.22 H new ATOM 0 HB2 TYR A 67 6.077 -0.558 -0.478 1.00 0.22 H new ATOM 0 HB3 TYR A 67 5.358 0.725 -1.430 1.00 0.22 H new ATOM 0 HD1 TYR A 67 6.892 0.945 -3.824 1.00 1.16 H new ATOM 0 HD2 TYR A 67 5.903 -2.574 -1.633 1.00 1.15 H new ATOM 0 HE1 TYR A 67 7.127 -0.394 -5.868 1.00 1.13 H new ATOM 0 HE2 TYR A 67 6.142 -3.918 -3.672 1.00 1.19 H new ATOM 0 HH TYR A 67 6.583 -3.930 -5.838 1.00 0.32 H new ATOM 1086 N CYS A 68 6.913 3.388 -0.641 1.00 0.17 N ATOM 1087 CA CYS A 68 6.381 4.565 0.052 1.00 0.17 C ATOM 1088 C CYS A 68 5.569 5.419 -0.918 1.00 0.20 C ATOM 1089 O CYS A 68 5.567 5.174 -2.132 1.00 0.27 O ATOM 1090 CB CYS A 68 7.510 5.398 0.677 1.00 0.16 C ATOM 1091 SG CYS A 68 8.726 6.034 -0.501 1.00 1.61 S ATOM 0 H CYS A 68 7.279 3.585 -1.572 1.00 0.17 H new ATOM 0 HA CYS A 68 5.731 4.222 0.857 1.00 0.17 H new ATOM 0 HB2 CYS A 68 7.069 6.239 1.211 1.00 0.16 H new ATOM 0 HB3 CYS A 68 8.027 4.786 1.416 1.00 0.16 H new ATOM 0 HG CYS A 68 8.771 5.255 -1.541 1.00 1.61 H new ATOM 1097 N LEU A 69 4.865 6.409 -0.381 1.00 0.21 N ATOM 1098 CA LEU A 69 4.042 7.305 -1.199 1.00 0.25 C ATOM 1099 C LEU A 69 4.747 8.652 -1.414 1.00 0.30 C ATOM 1100 O LEU A 69 5.438 9.136 -0.514 1.00 0.41 O ATOM 1101 CB LEU A 69 2.672 7.518 -0.524 1.00 0.36 C ATOM 1102 CG LEU A 69 1.466 7.409 -1.465 1.00 0.48 C ATOM 1103 CD1 LEU A 69 1.471 6.073 -2.204 1.00 0.61 C ATOM 1104 CD2 LEU A 69 0.166 7.587 -0.695 1.00 0.94 C ATOM 0 H LEU A 69 4.845 6.615 0.618 1.00 0.21 H new ATOM 0 HA LEU A 69 3.891 6.844 -2.175 1.00 0.25 H new ATOM 0 HB2 LEU A 69 2.559 6.785 0.275 1.00 0.36 H new ATOM 0 HB3 LEU A 69 2.662 8.503 -0.057 1.00 0.36 H new ATOM 0 HG LEU A 69 1.541 8.207 -2.204 1.00 0.48 H new ATOM 0 HD11 LEU A 69 0.606 6.020 -2.865 1.00 0.61 H new ATOM 0 HD12 LEU A 69 2.384 5.987 -2.793 1.00 0.61 H new ATOM 0 HD13 LEU A 69 1.427 5.258 -1.482 1.00 0.61 H new ATOM 0 HD21 LEU A 69 -0.677 7.506 -1.381 1.00 0.94 H new ATOM 0 HD22 LEU A 69 0.087 6.814 0.070 1.00 0.94 H new ATOM 0 HD23 LEU A 69 0.155 8.569 -0.221 1.00 0.94 H new ATOM 1116 N PRO A 70 4.533 9.302 -2.593 1.00 0.37 N ATOM 1117 CA PRO A 70 5.116 10.630 -2.912 1.00 0.51 C ATOM 1118 C PRO A 70 4.655 11.745 -1.952 1.00 0.71 C ATOM 1119 O PRO A 70 4.479 11.536 -0.753 1.00 1.00 O ATOM 1120 CB PRO A 70 4.621 10.902 -4.351 1.00 0.70 C ATOM 1121 CG PRO A 70 4.270 9.562 -4.893 1.00 0.64 C ATOM 1122 CD PRO A 70 3.733 8.789 -3.726 1.00 0.41 C ATOM 0 HA PRO A 70 6.201 10.625 -2.812 1.00 0.51 H new ATOM 0 HB2 PRO A 70 3.758 11.568 -4.353 1.00 0.70 H new ATOM 0 HB3 PRO A 70 5.394 11.381 -4.951 1.00 0.70 H new ATOM 0 HG2 PRO A 70 3.527 9.641 -5.687 1.00 0.64 H new ATOM 0 HG3 PRO A 70 5.143 9.070 -5.322 1.00 0.64 H new ATOM 0 HD2 PRO A 70 2.667 8.966 -3.581 1.00 0.41 H new ATOM 0 HD3 PRO A 70 3.863 7.715 -3.859 1.00 0.41 H new ATOM 1130 N ALA A 71 4.481 12.937 -2.499 1.00 0.96 N ATOM 1131 CA ALA A 71 4.059 14.108 -1.716 1.00 1.23 C ATOM 1132 C ALA A 71 2.554 14.090 -1.430 1.00 1.34 C ATOM 1133 O ALA A 71 1.805 14.926 -1.936 1.00 1.89 O ATOM 1134 CB ALA A 71 4.442 15.387 -2.435 1.00 1.66 C ATOM 0 H ALA A 71 4.625 13.129 -3.490 1.00 0.96 H new ATOM 0 HA ALA A 71 4.577 14.067 -0.758 1.00 1.23 H new ATOM 0 HB1 ALA A 71 4.124 16.246 -1.844 1.00 1.66 H new ATOM 0 HB2 ALA A 71 5.523 15.419 -2.569 1.00 1.66 H new ATOM 0 HB3 ALA A 71 3.955 15.416 -3.410 1.00 1.66 H new ATOM 1140 N GLU A 72 2.139 13.123 -0.613 1.00 1.48 N ATOM 1141 CA GLU A 72 0.736 12.942 -0.196 1.00 1.76 C ATOM 1142 C GLU A 72 -0.242 12.984 -1.387 1.00 1.89 C ATOM 1143 O GLU A 72 -0.903 14.000 -1.627 1.00 2.17 O ATOM 1144 CB GLU A 72 0.352 13.999 0.860 1.00 2.19 C ATOM 1145 CG GLU A 72 1.104 13.850 2.191 1.00 2.59 C ATOM 1146 CD GLU A 72 0.234 13.346 3.329 1.00 3.17 C ATOM 1147 OE1 GLU A 72 -0.956 13.719 3.378 1.00 3.75 O ATOM 1148 OE2 GLU A 72 0.739 12.581 4.175 1.00 3.59 O ATOM 0 H GLU A 72 2.771 12.430 -0.213 1.00 1.48 H new ATOM 0 HA GLU A 72 0.655 11.949 0.245 1.00 1.76 H new ATOM 0 HB2 GLU A 72 0.546 14.992 0.454 1.00 2.19 H new ATOM 0 HB3 GLU A 72 -0.719 13.936 1.050 1.00 2.19 H new ATOM 0 HG2 GLU A 72 1.939 13.163 2.052 1.00 2.59 H new ATOM 0 HG3 GLU A 72 1.528 14.815 2.469 1.00 2.59 H new ATOM 1155 N LEU A 73 -0.341 11.870 -2.117 1.00 2.03 N ATOM 1156 CA LEU A 73 -1.230 11.770 -3.278 1.00 2.45 C ATOM 1157 C LEU A 73 -2.698 11.659 -2.843 1.00 3.07 C ATOM 1158 O LEU A 73 -3.229 10.560 -2.655 1.00 3.39 O ATOM 1159 CB LEU A 73 -0.837 10.569 -4.153 1.00 2.45 C ATOM 1160 CG LEU A 73 -1.502 10.532 -5.542 1.00 2.84 C ATOM 1161 CD1 LEU A 73 -0.457 10.342 -6.631 1.00 3.20 C ATOM 1162 CD2 LEU A 73 -2.557 9.436 -5.623 1.00 3.46 C ATOM 0 H LEU A 73 0.187 11.019 -1.923 1.00 2.03 H new ATOM 0 HA LEU A 73 -1.121 12.682 -3.866 1.00 2.45 H new ATOM 0 HB2 LEU A 73 0.245 10.573 -4.285 1.00 2.45 H new ATOM 0 HB3 LEU A 73 -1.090 9.652 -3.621 1.00 2.45 H new ATOM 0 HG LEU A 73 -1.999 11.489 -5.697 1.00 2.84 H new ATOM 0 HD11 LEU A 73 -0.946 10.318 -7.605 1.00 3.20 H new ATOM 0 HD12 LEU A 73 0.253 11.168 -6.602 1.00 3.20 H new ATOM 0 HD13 LEU A 73 0.072 9.403 -6.468 1.00 3.20 H new ATOM 0 HD21 LEU A 73 -3.007 9.437 -6.616 1.00 3.46 H new ATOM 0 HD22 LEU A 73 -2.091 8.468 -5.436 1.00 3.46 H new ATOM 0 HD23 LEU A 73 -3.329 9.618 -4.875 1.00 3.46 H new ATOM 1174 N GLY A 74 -3.336 12.813 -2.681 1.00 3.54 N ATOM 1175 CA GLY A 74 -4.730 12.866 -2.263 1.00 4.27 C ATOM 1176 C GLY A 74 -5.208 14.295 -2.065 1.00 4.79 C ATOM 1177 O GLY A 74 -5.393 14.742 -0.928 1.00 5.47 O ATOM 0 H GLY A 74 -2.908 13.726 -2.834 1.00 3.54 H new ATOM 0 HA2 GLY A 74 -5.352 12.375 -3.011 1.00 4.27 H new ATOM 0 HA3 GLY A 74 -4.852 12.310 -1.333 1.00 4.27 H new ATOM 1181 N VAL A 75 -5.377 15.020 -3.173 1.00 4.77 N ATOM 1182 CA VAL A 75 -5.809 16.423 -3.146 1.00 5.51 C ATOM 1183 C VAL A 75 -6.951 16.675 -4.143 1.00 5.62 C ATOM 1184 O VAL A 75 -7.143 15.902 -5.088 1.00 5.34 O ATOM 1185 CB VAL A 75 -4.627 17.377 -3.471 1.00 5.98 C ATOM 1186 CG1 VAL A 75 -3.527 17.243 -2.426 1.00 6.16 C ATOM 1187 CG2 VAL A 75 -4.068 17.121 -4.874 1.00 6.50 C ATOM 0 H VAL A 75 -5.219 14.655 -4.112 1.00 4.77 H new ATOM 0 HA VAL A 75 -6.168 16.627 -2.137 1.00 5.51 H new ATOM 0 HB VAL A 75 -5.010 18.397 -3.447 1.00 5.98 H new ATOM 0 HG11 VAL A 75 -2.708 17.919 -2.671 1.00 6.16 H new ATOM 0 HG12 VAL A 75 -3.925 17.497 -1.444 1.00 6.16 H new ATOM 0 HG13 VAL A 75 -3.159 16.217 -2.414 1.00 6.16 H new ATOM 0 HG21 VAL A 75 -3.243 17.806 -5.067 1.00 6.50 H new ATOM 0 HG22 VAL A 75 -3.710 16.094 -4.941 1.00 6.50 H new ATOM 0 HG23 VAL A 75 -4.853 17.281 -5.613 1.00 6.50 H new ATOM 1197 N PRO A 76 -7.706 17.786 -3.970 1.00 6.42 N ATOM 1198 CA PRO A 76 -8.802 18.160 -4.875 1.00 6.97 C ATOM 1199 C PRO A 76 -8.272 18.792 -6.170 1.00 7.29 C ATOM 1200 O PRO A 76 -7.991 19.994 -6.221 1.00 7.83 O ATOM 1201 CB PRO A 76 -9.635 19.166 -4.046 1.00 7.90 C ATOM 1202 CG PRO A 76 -8.969 19.256 -2.706 1.00 8.03 C ATOM 1203 CD PRO A 76 -7.559 18.780 -2.897 1.00 7.16 C ATOM 0 HA PRO A 76 -9.389 17.302 -5.202 1.00 6.97 H new ATOM 0 HB2 PRO A 76 -9.664 20.141 -4.532 1.00 7.90 H new ATOM 0 HB3 PRO A 76 -10.667 18.828 -3.946 1.00 7.90 H new ATOM 0 HG2 PRO A 76 -8.985 20.280 -2.333 1.00 8.03 H new ATOM 0 HG3 PRO A 76 -9.490 18.641 -1.972 1.00 8.03 H new ATOM 0 HD2 PRO A 76 -6.891 19.592 -3.184 1.00 7.16 H new ATOM 0 HD3 PRO A 76 -7.152 18.339 -1.987 1.00 7.16 H new ATOM 1211 N THR A 77 -8.090 17.963 -7.194 1.00 7.25 N ATOM 1212 CA THR A 77 -7.572 18.409 -8.487 1.00 7.86 C ATOM 1213 C THR A 77 -8.704 18.474 -9.524 1.00 8.48 C ATOM 1214 O THR A 77 -9.503 17.540 -9.642 1.00 8.73 O ATOM 1215 CB THR A 77 -6.441 17.455 -8.943 1.00 7.90 C ATOM 1216 OG1 THR A 77 -5.759 17.975 -10.074 1.00 8.72 O ATOM 1217 CG2 THR A 77 -6.897 16.036 -9.283 1.00 7.87 C ATOM 0 H THR A 77 -8.296 16.965 -7.153 1.00 7.25 H new ATOM 0 HA THR A 77 -7.160 19.413 -8.389 1.00 7.86 H new ATOM 0 HB THR A 77 -5.785 17.390 -8.075 1.00 7.90 H new ATOM 0 HG1 THR A 77 -5.049 17.355 -10.341 1.00 8.72 H new ATOM 0 HG21 THR A 77 -6.037 15.442 -9.592 1.00 7.87 H new ATOM 0 HG22 THR A 77 -7.356 15.581 -8.405 1.00 7.87 H new ATOM 0 HG23 THR A 77 -7.623 16.072 -10.095 1.00 7.87 H new ATOM 1225 N THR A 78 -8.788 19.599 -10.237 1.00 9.01 N ATOM 1226 CA THR A 78 -9.825 19.815 -11.250 1.00 9.88 C ATOM 1227 C THR A 78 -9.239 20.539 -12.470 1.00 10.40 C ATOM 1228 O THR A 78 -9.010 21.762 -12.385 1.00 10.57 O ATOM 1229 CB THR A 78 -10.997 20.618 -10.649 1.00 10.27 C ATOM 1230 OG1 THR A 78 -10.553 21.870 -10.142 1.00 10.30 O ATOM 1231 CG2 THR A 78 -11.709 19.898 -9.520 1.00 10.39 C ATOM 1232 OXT THR A 78 -8.995 19.875 -13.497 1.00 10.83 O ATOM 0 H THR A 78 -8.143 20.382 -10.130 1.00 9.01 H new ATOM 0 HA THR A 78 -10.203 18.847 -11.578 1.00 9.88 H new ATOM 0 HB THR A 78 -11.696 20.751 -11.475 1.00 10.27 H new ATOM 0 HG1 THR A 78 -9.888 22.252 -10.752 1.00 10.30 H new ATOM 0 HG21 THR A 78 -12.521 20.521 -9.146 1.00 10.39 H new ATOM 0 HG22 THR A 78 -12.115 18.956 -9.888 1.00 10.39 H new ATOM 0 HG23 THR A 78 -11.003 19.699 -8.713 1.00 10.39 H new TER 1240 THR A 78