USER MOD reduce.3.24.130724 H: found=0, std=0, add=835, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 814 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 Single : A 1 ARG N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ -121:sc= -1.04 (180deg=-2.7!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 HIS : no HD1:sc= -0.0373 X(o=-0.037,f=-0.2) USER MOD Single : A 13 HIS : no HD1:sc= -1.94! C(o=-1.9!,f=-3.9!) USER MOD Single : A 14 ASN : amide:sc= -0.182 X(o=-0.18,f=-0.11) USER MOD Single : A 16 MET CE :methyl -169:sc= 0 (180deg=-0.17) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.0562 USER MOD Single : A 20 GLN : amide:sc= -0.013 X(o=-0.013,f=-0.039) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 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 27 ASN : amide:sc= -1.36 K(o=-1.4,f=-6!) USER MOD Single : A 31 ASN :FLIP amide:sc= -1.16 F(o=-3.6!,f=-1.2) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00802) USER MOD Single : A 42 ASN : amide:sc= -0.192 K(o=-0.19,f=-0.91!) USER MOD Single : A 43 THR OG1 : rot 180:sc=-0.00334 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HD1:sc= -0.184 X(o=-0.18,f=-0.34) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 HIS :FLIP no HD1:sc= -1.1 F(o=-2.2!,f=-1.1) USER MOD Single : A 58 GLN : amide:sc= -0.011 X(o=-0.011,f=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= -0.112 X(o=-0.11,f=0) USER MOD Single : A 66 HIS :FLIP no HD1:sc= -0.729 F(o=-1.3,f=-0.73) USER MOD Single : A 67 GLN : amide:sc= -0.482 X(o=-0.48,f=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 MET CE :methyl 147:sc= -0.418 (180deg=-1.83!) USER MOD Single : A 75 GLN : amide:sc= -0.016 X(o=-0.016,f=-0.0014) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -0.335 K(o=-0.33,f=-3.1!) USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 83 ASN : amide:sc=-0.00131 X(o=-0.0013,f=0.22) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0.0822 USER MOD Single : A 92 GLN : amide:sc= -0.173 K(o=-0.17,f=-1.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 91.842 21.371 -11.504 1.00 0.00 N ATOM 2 CA ARG A 1 90.519 21.742 -11.030 1.00 0.00 C ATOM 3 C ARG A 1 89.957 20.651 -10.116 1.00 0.00 C ATOM 4 O ARG A 1 90.124 19.463 -10.387 1.00 0.00 O ATOM 5 CB ARG A 1 89.557 21.964 -12.198 1.00 0.00 C ATOM 6 CG ARG A 1 88.524 23.041 -11.861 1.00 0.00 C ATOM 7 CD ARG A 1 87.163 22.416 -11.550 1.00 0.00 C ATOM 8 NE ARG A 1 86.349 22.336 -12.783 1.00 0.00 N ATOM 9 CZ ARG A 1 85.904 23.411 -13.468 1.00 0.00 C ATOM 10 NH1 ARG A 1 86.192 24.660 -13.044 1.00 0.00 N ATOM 11 NH2 ARG A 1 85.184 23.223 -14.558 1.00 0.00 N ATOM 0 H1 ARG A 1 92.212 22.120 -12.123 1.00 0.00 H new ATOM 0 H2 ARG A 1 92.480 21.247 -10.692 1.00 0.00 H new ATOM 0 H3 ARG A 1 91.783 20.480 -12.037 1.00 0.00 H new ATOM 0 HA ARG A 1 90.616 22.674 -10.473 1.00 0.00 H new ATOM 0 HB2 ARG A 1 90.118 22.258 -13.085 1.00 0.00 H new ATOM 0 HB3 ARG A 1 89.049 21.030 -12.438 1.00 0.00 H new ATOM 0 HG2 ARG A 1 88.866 23.622 -11.005 1.00 0.00 H new ATOM 0 HG3 ARG A 1 88.428 23.733 -12.698 1.00 0.00 H new ATOM 0 HD2 ARG A 1 87.299 21.420 -11.129 1.00 0.00 H new ATOM 0 HD3 ARG A 1 86.643 23.011 -10.799 1.00 0.00 H new ATOM 0 HE ARG A 1 86.109 21.410 -13.138 1.00 0.00 H new ATOM 0 HH11 ARG A 1 86.749 24.796 -12.201 1.00 0.00 H new ATOM 0 HH12 ARG A 1 85.852 25.467 -13.567 1.00 0.00 H new ATOM 0 HH21 ARG A 1 84.971 22.276 -14.872 1.00 0.00 H new ATOM 0 HH22 ARG A 1 84.840 24.025 -15.087 1.00 0.00 H new ATOM 24 N LYS A 2 89.303 21.093 -9.052 1.00 0.00 N ATOM 25 CA LYS A 2 88.716 20.169 -8.097 1.00 0.00 C ATOM 26 C LYS A 2 87.605 19.371 -8.783 1.00 0.00 C ATOM 27 O LYS A 2 86.804 19.931 -9.531 1.00 0.00 O ATOM 28 CB LYS A 2 88.253 20.915 -6.844 1.00 0.00 C ATOM 29 CG LYS A 2 89.448 21.455 -6.056 1.00 0.00 C ATOM 30 CD LYS A 2 89.818 22.866 -6.518 1.00 0.00 C ATOM 31 CE LYS A 2 90.174 23.758 -5.327 1.00 0.00 C ATOM 32 NZ LYS A 2 88.966 24.439 -4.809 1.00 0.00 N ATOM 0 H LYS A 2 89.167 22.079 -8.830 1.00 0.00 H new ATOM 0 HA LYS A 2 89.461 19.451 -7.755 1.00 0.00 H new ATOM 0 HB2 LYS A 2 87.598 21.738 -7.128 1.00 0.00 H new ATOM 0 HB3 LYS A 2 87.669 20.246 -6.213 1.00 0.00 H new ATOM 0 HG2 LYS A 2 89.211 21.467 -4.992 1.00 0.00 H new ATOM 0 HG3 LYS A 2 90.303 20.791 -6.184 1.00 0.00 H new ATOM 0 HD2 LYS A 2 90.662 22.817 -7.206 1.00 0.00 H new ATOM 0 HD3 LYS A 2 88.984 23.303 -7.067 1.00 0.00 H new ATOM 0 HE2 LYS A 2 90.626 23.157 -4.538 1.00 0.00 H new ATOM 0 HE3 LYS A 2 90.915 24.498 -5.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 89.226 25.040 -4.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 88.551 25.028 -5.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 88.271 23.728 -4.502 1.00 0.00 H new ATOM 45 N LEU A 3 87.591 18.076 -8.504 1.00 0.00 N ATOM 46 CA LEU A 3 86.592 17.196 -9.085 1.00 0.00 C ATOM 47 C LEU A 3 86.088 16.226 -8.014 1.00 0.00 C ATOM 48 O LEU A 3 86.878 15.518 -7.391 1.00 0.00 O ATOM 49 CB LEU A 3 87.148 16.502 -10.330 1.00 0.00 C ATOM 50 CG LEU A 3 86.480 16.869 -11.657 1.00 0.00 C ATOM 51 CD1 LEU A 3 87.180 18.062 -12.311 1.00 0.00 C ATOM 52 CD2 LEU A 3 86.416 15.659 -12.592 1.00 0.00 C ATOM 0 H LEU A 3 88.256 17.615 -7.883 1.00 0.00 H new ATOM 0 HA LEU A 3 85.731 17.771 -9.426 1.00 0.00 H new ATOM 0 HB2 LEU A 3 88.211 16.731 -10.405 1.00 0.00 H new ATOM 0 HB3 LEU A 3 87.064 15.424 -10.189 1.00 0.00 H new ATOM 0 HG LEU A 3 85.453 17.171 -11.451 1.00 0.00 H new ATOM 0 HD11 LEU A 3 86.686 18.302 -13.252 1.00 0.00 H new ATOM 0 HD12 LEU A 3 87.130 18.923 -11.645 1.00 0.00 H new ATOM 0 HD13 LEU A 3 88.223 17.811 -12.503 1.00 0.00 H new ATOM 0 HD21 LEU A 3 85.937 15.947 -13.528 1.00 0.00 H new ATOM 0 HD22 LEU A 3 87.426 15.303 -12.796 1.00 0.00 H new ATOM 0 HD23 LEU A 3 85.840 14.864 -12.119 1.00 0.00 H new ATOM 64 N GLU A 4 84.776 16.225 -7.832 1.00 0.00 N ATOM 65 CA GLU A 4 84.157 15.354 -6.847 1.00 0.00 C ATOM 66 C GLU A 4 82.724 15.018 -7.261 1.00 0.00 C ATOM 67 O GLU A 4 82.050 15.829 -7.895 1.00 0.00 O ATOM 68 CB GLU A 4 84.191 15.990 -5.455 1.00 0.00 C ATOM 69 CG GLU A 4 85.611 15.985 -4.885 1.00 0.00 C ATOM 70 CD GLU A 4 86.318 17.313 -5.161 1.00 0.00 C ATOM 71 OE1 GLU A 4 85.698 18.381 -5.048 1.00 0.00 O ATOM 72 OE2 GLU A 4 87.557 17.209 -5.504 1.00 0.00 O ATOM 0 H GLU A 4 84.124 16.814 -8.350 1.00 0.00 H new ATOM 0 HA GLU A 4 84.728 14.426 -6.801 1.00 0.00 H new ATOM 0 HB2 GLU A 4 83.821 17.014 -5.510 1.00 0.00 H new ATOM 0 HB3 GLU A 4 83.525 15.445 -4.786 1.00 0.00 H new ATOM 0 HG2 GLU A 4 85.575 15.805 -3.811 1.00 0.00 H new ATOM 0 HG3 GLU A 4 86.181 15.167 -5.326 1.00 0.00 H new ATOM 80 N LEU A 5 82.299 13.820 -6.886 1.00 0.00 N ATOM 81 CA LEU A 5 80.957 13.367 -7.211 1.00 0.00 C ATOM 82 C LEU A 5 80.575 12.213 -6.282 1.00 0.00 C ATOM 83 O LEU A 5 81.421 11.398 -5.919 1.00 0.00 O ATOM 84 CB LEU A 5 80.854 13.020 -8.698 1.00 0.00 C ATOM 85 CG LEU A 5 79.702 12.093 -9.092 1.00 0.00 C ATOM 86 CD1 LEU A 5 78.764 12.778 -10.088 1.00 0.00 C ATOM 87 CD2 LEU A 5 80.229 10.759 -9.625 1.00 0.00 C ATOM 0 H LEU A 5 82.860 13.150 -6.360 1.00 0.00 H new ATOM 0 HA LEU A 5 80.234 14.165 -7.043 1.00 0.00 H new ATOM 0 HB2 LEU A 5 80.756 13.948 -9.261 1.00 0.00 H new ATOM 0 HB3 LEU A 5 81.790 12.556 -9.008 1.00 0.00 H new ATOM 0 HG LEU A 5 79.118 11.874 -8.198 1.00 0.00 H new ATOM 0 HD11 LEU A 5 77.954 12.098 -10.352 1.00 0.00 H new ATOM 0 HD12 LEU A 5 78.349 13.679 -9.636 1.00 0.00 H new ATOM 0 HD13 LEU A 5 79.320 13.046 -10.986 1.00 0.00 H new ATOM 0 HD21 LEU A 5 79.390 10.119 -9.898 1.00 0.00 H new ATOM 0 HD22 LEU A 5 80.849 10.938 -10.503 1.00 0.00 H new ATOM 0 HD23 LEU A 5 80.824 10.269 -8.854 1.00 0.00 H new ATOM 99 N THR A 6 79.299 12.180 -5.925 1.00 0.00 N ATOM 100 CA THR A 6 78.794 11.140 -5.046 1.00 0.00 C ATOM 101 C THR A 6 78.489 9.870 -5.843 1.00 0.00 C ATOM 102 O THR A 6 78.223 9.934 -7.042 1.00 0.00 O ATOM 103 CB THR A 6 77.579 11.697 -4.303 1.00 0.00 C ATOM 104 OG1 THR A 6 77.338 10.746 -3.269 1.00 0.00 O ATOM 105 CG2 THR A 6 76.305 11.658 -5.150 1.00 0.00 C ATOM 0 H THR A 6 78.600 12.858 -6.229 1.00 0.00 H new ATOM 0 HA THR A 6 79.541 10.851 -4.306 1.00 0.00 H new ATOM 0 HB THR A 6 77.780 12.724 -3.998 1.00 0.00 H new ATOM 0 HG1 THR A 6 76.566 11.031 -2.736 1.00 0.00 H new ATOM 0 HG21 THR A 6 75.473 12.065 -4.575 1.00 0.00 H new ATOM 0 HG22 THR A 6 76.449 12.254 -6.051 1.00 0.00 H new ATOM 0 HG23 THR A 6 76.084 10.627 -5.428 1.00 0.00 H new ATOM 113 N LYS A 7 78.538 8.745 -5.144 1.00 0.00 N ATOM 114 CA LYS A 7 78.270 7.462 -5.771 1.00 0.00 C ATOM 115 C LYS A 7 76.825 7.437 -6.274 1.00 0.00 C ATOM 116 O LYS A 7 76.558 6.974 -7.382 1.00 0.00 O ATOM 117 CB LYS A 7 78.608 6.317 -4.815 1.00 0.00 C ATOM 118 CG LYS A 7 77.815 6.438 -3.512 1.00 0.00 C ATOM 119 CD LYS A 7 76.457 5.742 -3.630 1.00 0.00 C ATOM 120 CE LYS A 7 76.518 4.322 -3.064 1.00 0.00 C ATOM 121 NZ LYS A 7 75.508 3.460 -3.717 1.00 0.00 N ATOM 0 H LYS A 7 78.759 8.696 -4.150 1.00 0.00 H new ATOM 0 HA LYS A 7 78.913 7.321 -6.640 1.00 0.00 H new ATOM 0 HB2 LYS A 7 78.386 5.363 -5.292 1.00 0.00 H new ATOM 0 HB3 LYS A 7 79.676 6.324 -4.597 1.00 0.00 H new ATOM 0 HG2 LYS A 7 78.384 5.997 -2.694 1.00 0.00 H new ATOM 0 HG3 LYS A 7 77.668 7.490 -3.268 1.00 0.00 H new ATOM 0 HD2 LYS A 7 75.701 6.318 -3.096 1.00 0.00 H new ATOM 0 HD3 LYS A 7 76.151 5.708 -4.676 1.00 0.00 H new ATOM 0 HE2 LYS A 7 77.514 3.906 -3.217 1.00 0.00 H new ATOM 0 HE3 LYS A 7 76.344 4.345 -1.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 74.861 3.078 -2.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 74.968 4.020 -4.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 75.985 2.675 -4.205 1.00 0.00 H new ATOM 134 N ALA A 8 75.932 7.941 -5.436 1.00 0.00 N ATOM 135 CA ALA A 8 74.521 7.982 -5.781 1.00 0.00 C ATOM 136 C ALA A 8 74.016 6.557 -6.015 1.00 0.00 C ATOM 137 O ALA A 8 74.355 5.930 -7.017 1.00 0.00 O ATOM 138 CB ALA A 8 74.321 8.879 -7.005 1.00 0.00 C ATOM 0 H ALA A 8 76.158 8.325 -4.518 1.00 0.00 H new ATOM 0 HA ALA A 8 73.938 8.409 -4.964 1.00 0.00 H new ATOM 0 HB1 ALA A 8 73.263 8.910 -7.264 1.00 0.00 H new ATOM 0 HB2 ALA A 8 74.669 9.887 -6.778 1.00 0.00 H new ATOM 0 HB3 ALA A 8 74.889 8.480 -7.845 1.00 0.00 H new ATOM 144 N GLU A 9 73.212 6.086 -5.072 1.00 0.00 N ATOM 145 CA GLU A 9 72.657 4.747 -5.162 1.00 0.00 C ATOM 146 C GLU A 9 71.516 4.713 -6.182 1.00 0.00 C ATOM 147 O GLU A 9 70.345 4.746 -5.809 1.00 0.00 O ATOM 148 CB GLU A 9 72.183 4.256 -3.792 1.00 0.00 C ATOM 149 CG GLU A 9 71.244 3.057 -3.934 1.00 0.00 C ATOM 150 CD GLU A 9 71.606 1.956 -2.935 1.00 0.00 C ATOM 151 OE1 GLU A 9 72.116 2.252 -1.844 1.00 0.00 O ATOM 152 OE2 GLU A 9 71.338 0.756 -3.325 1.00 0.00 O ATOM 0 H GLU A 9 72.932 6.609 -4.242 1.00 0.00 H new ATOM 0 HA GLU A 9 73.442 4.071 -5.501 1.00 0.00 H new ATOM 0 HB2 GLU A 9 73.044 3.978 -3.184 1.00 0.00 H new ATOM 0 HB3 GLU A 9 71.671 5.064 -3.270 1.00 0.00 H new ATOM 0 HG2 GLU A 9 70.214 3.376 -3.772 1.00 0.00 H new ATOM 0 HG3 GLU A 9 71.300 2.665 -4.949 1.00 0.00 H new ATOM 160 N LYS A 10 71.900 4.646 -7.448 1.00 0.00 N ATOM 161 CA LYS A 10 70.924 4.607 -8.524 1.00 0.00 C ATOM 162 C LYS A 10 69.681 5.396 -8.108 1.00 0.00 C ATOM 163 O LYS A 10 68.556 4.955 -8.339 1.00 0.00 O ATOM 164 CB LYS A 10 70.628 3.161 -8.927 1.00 0.00 C ATOM 165 CG LYS A 10 71.844 2.265 -8.684 1.00 0.00 C ATOM 166 CD LYS A 10 71.521 0.804 -9.003 1.00 0.00 C ATOM 167 CE LYS A 10 70.775 0.685 -10.334 1.00 0.00 C ATOM 168 NZ LYS A 10 70.648 -0.735 -10.732 1.00 0.00 N ATOM 0 H LYS A 10 72.873 4.618 -7.753 1.00 0.00 H new ATOM 0 HA LYS A 10 71.323 5.087 -9.418 1.00 0.00 H new ATOM 0 HB2 LYS A 10 69.777 2.788 -8.357 1.00 0.00 H new ATOM 0 HB3 LYS A 10 70.348 3.123 -9.980 1.00 0.00 H new ATOM 0 HG2 LYS A 10 72.677 2.600 -9.302 1.00 0.00 H new ATOM 0 HG3 LYS A 10 72.163 2.352 -7.645 1.00 0.00 H new ATOM 0 HD2 LYS A 10 72.443 0.225 -9.046 1.00 0.00 H new ATOM 0 HD3 LYS A 10 70.915 0.379 -8.203 1.00 0.00 H new ATOM 0 HE2 LYS A 10 69.786 1.134 -10.244 1.00 0.00 H new ATOM 0 HE3 LYS A 10 71.307 1.239 -11.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 70.139 -0.798 -11.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 71.595 -1.152 -10.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 70.120 -1.254 -10.002 1.00 0.00 H new ATOM 181 N HIS A 11 69.925 6.548 -7.502 1.00 0.00 N ATOM 182 CA HIS A 11 68.840 7.403 -7.052 1.00 0.00 C ATOM 183 C HIS A 11 67.814 6.567 -6.285 1.00 0.00 C ATOM 184 O HIS A 11 68.039 5.386 -6.024 1.00 0.00 O ATOM 185 CB HIS A 11 68.224 8.164 -8.228 1.00 0.00 C ATOM 186 CG HIS A 11 69.119 9.237 -8.801 1.00 0.00 C ATOM 187 ND1 HIS A 11 69.940 10.027 -8.016 1.00 0.00 N ATOM 188 CD2 HIS A 11 69.313 9.641 -10.089 1.00 0.00 C ATOM 189 CE1 HIS A 11 70.594 10.866 -8.806 1.00 0.00 C ATOM 190 NE2 HIS A 11 70.204 10.625 -10.091 1.00 0.00 N ATOM 0 H HIS A 11 70.859 6.910 -7.312 1.00 0.00 H new ATOM 0 HA HIS A 11 69.227 8.159 -6.368 1.00 0.00 H new ATOM 0 HB2 HIS A 11 67.975 7.454 -9.016 1.00 0.00 H new ATOM 0 HB3 HIS A 11 67.289 8.620 -7.903 1.00 0.00 H new ATOM 0 HD2 HIS A 11 68.824 9.230 -10.960 1.00 0.00 H new ATOM 0 HE1 HIS A 11 71.310 11.610 -8.489 1.00 0.00 H new ATOM 0 HE2 HIS A 11 70.541 11.119 -10.917 1.00 0.00 H new ATOM 198 N VAL A 12 66.708 7.213 -5.944 1.00 0.00 N ATOM 199 CA VAL A 12 65.647 6.544 -5.211 1.00 0.00 C ATOM 200 C VAL A 12 66.160 6.148 -3.825 1.00 0.00 C ATOM 201 O VAL A 12 65.970 6.881 -2.856 1.00 0.00 O ATOM 202 CB VAL A 12 65.124 5.353 -6.017 1.00 0.00 C ATOM 203 CG1 VAL A 12 64.091 4.559 -5.216 1.00 0.00 C ATOM 204 CG2 VAL A 12 64.545 5.811 -7.357 1.00 0.00 C ATOM 0 H VAL A 12 66.524 8.192 -6.162 1.00 0.00 H new ATOM 0 HA VAL A 12 64.802 7.217 -5.065 1.00 0.00 H new ATOM 0 HB VAL A 12 65.966 4.692 -6.223 1.00 0.00 H new ATOM 0 HG11 VAL A 12 63.736 3.719 -5.812 1.00 0.00 H new ATOM 0 HG12 VAL A 12 64.549 4.186 -4.300 1.00 0.00 H new ATOM 0 HG13 VAL A 12 63.251 5.206 -4.964 1.00 0.00 H new ATOM 0 HG21 VAL A 12 64.180 4.946 -7.911 1.00 0.00 H new ATOM 0 HG22 VAL A 12 63.721 6.502 -7.180 1.00 0.00 H new ATOM 0 HG23 VAL A 12 65.321 6.312 -7.936 1.00 0.00 H new ATOM 214 N HIS A 13 66.801 4.989 -3.775 1.00 0.00 N ATOM 215 CA HIS A 13 67.343 4.487 -2.525 1.00 0.00 C ATOM 216 C HIS A 13 66.230 3.824 -1.712 1.00 0.00 C ATOM 217 O HIS A 13 65.065 4.204 -1.822 1.00 0.00 O ATOM 218 CB HIS A 13 68.056 5.601 -1.755 1.00 0.00 C ATOM 219 CG HIS A 13 69.409 5.206 -1.215 1.00 0.00 C ATOM 220 ND1 HIS A 13 70.378 6.132 -0.869 1.00 0.00 N ATOM 221 CD2 HIS A 13 69.945 3.977 -0.964 1.00 0.00 C ATOM 222 CE1 HIS A 13 71.444 5.478 -0.431 1.00 0.00 C ATOM 223 NE2 HIS A 13 71.174 4.143 -0.492 1.00 0.00 N ATOM 0 H HIS A 13 66.957 4.384 -4.581 1.00 0.00 H new ATOM 0 HA HIS A 13 68.097 3.727 -2.731 1.00 0.00 H new ATOM 0 HB2 HIS A 13 68.176 6.463 -2.411 1.00 0.00 H new ATOM 0 HB3 HIS A 13 67.424 5.917 -0.926 1.00 0.00 H new ATOM 0 HD2 HIS A 13 69.452 3.029 -1.123 1.00 0.00 H new ATOM 0 HE1 HIS A 13 72.365 5.924 -0.086 1.00 0.00 H new ATOM 0 HE2 HIS A 13 71.812 3.395 -0.220 1.00 0.00 H new ATOM 231 N ASN A 14 66.627 2.843 -0.914 1.00 0.00 N ATOM 232 CA ASN A 14 65.677 2.123 -0.083 1.00 0.00 C ATOM 233 C ASN A 14 64.690 3.117 0.533 1.00 0.00 C ATOM 234 O ASN A 14 65.032 3.838 1.469 1.00 0.00 O ATOM 235 CB ASN A 14 66.387 1.392 1.058 1.00 0.00 C ATOM 236 CG ASN A 14 67.395 0.378 0.516 1.00 0.00 C ATOM 237 OD1 ASN A 14 67.052 -0.720 0.109 1.00 0.00 O ATOM 238 ND2 ASN A 14 68.655 0.804 0.534 1.00 0.00 N ATOM 0 H ASN A 14 67.594 2.530 -0.826 1.00 0.00 H new ATOM 0 HA ASN A 14 65.162 1.396 -0.711 1.00 0.00 H new ATOM 0 HB2 ASN A 14 66.899 2.114 1.695 1.00 0.00 H new ATOM 0 HB3 ASN A 14 65.652 0.882 1.681 1.00 0.00 H new ATOM 0 HD21 ASN A 14 69.403 0.199 0.194 1.00 0.00 H new ATOM 0 HD22 ASN A 14 68.873 1.735 0.888 1.00 0.00 H new ATOM 245 N PHE A 15 63.484 3.123 -0.017 1.00 0.00 N ATOM 246 CA PHE A 15 62.445 4.016 0.467 1.00 0.00 C ATOM 247 C PHE A 15 61.215 3.229 0.924 1.00 0.00 C ATOM 248 O PHE A 15 60.738 3.409 2.043 1.00 0.00 O ATOM 249 CB PHE A 15 62.052 4.920 -0.703 1.00 0.00 C ATOM 250 CG PHE A 15 61.840 6.384 -0.313 1.00 0.00 C ATOM 251 CD1 PHE A 15 60.755 6.742 0.424 1.00 0.00 C ATOM 252 CD2 PHE A 15 62.738 7.329 -0.703 1.00 0.00 C ATOM 253 CE1 PHE A 15 60.558 8.101 0.786 1.00 0.00 C ATOM 254 CE2 PHE A 15 62.541 8.688 -0.341 1.00 0.00 C ATOM 255 CZ PHE A 15 61.455 9.045 0.395 1.00 0.00 C ATOM 0 H PHE A 15 63.204 2.524 -0.793 1.00 0.00 H new ATOM 0 HA PHE A 15 62.813 4.589 1.318 1.00 0.00 H new ATOM 0 HB2 PHE A 15 62.828 4.867 -1.467 1.00 0.00 H new ATOM 0 HB3 PHE A 15 61.135 4.538 -1.152 1.00 0.00 H new ATOM 0 HD1 PHE A 15 60.042 5.992 0.734 1.00 0.00 H new ATOM 0 HD2 PHE A 15 63.601 7.046 -1.288 1.00 0.00 H new ATOM 0 HE1 PHE A 15 59.696 8.385 1.372 1.00 0.00 H new ATOM 0 HE2 PHE A 15 63.254 9.438 -0.650 1.00 0.00 H new ATOM 0 HZ PHE A 15 61.305 10.079 0.669 1.00 0.00 H new ATOM 265 N MET A 16 60.736 2.372 0.033 1.00 0.00 N ATOM 266 CA MET A 16 59.571 1.557 0.331 1.00 0.00 C ATOM 267 C MET A 16 59.944 0.372 1.223 1.00 0.00 C ATOM 268 O MET A 16 59.730 -0.781 0.852 1.00 0.00 O ATOM 269 CB MET A 16 58.961 1.042 -0.975 1.00 0.00 C ATOM 270 CG MET A 16 58.280 2.174 -1.746 1.00 0.00 C ATOM 271 SD MET A 16 56.670 1.647 -2.309 1.00 0.00 S ATOM 272 CE MET A 16 57.147 0.344 -3.433 1.00 0.00 C ATOM 0 H MET A 16 61.134 2.225 -0.895 1.00 0.00 H new ATOM 0 HA MET A 16 58.846 2.173 0.863 1.00 0.00 H new ATOM 0 HB2 MET A 16 59.740 0.594 -1.592 1.00 0.00 H new ATOM 0 HB3 MET A 16 58.236 0.258 -0.757 1.00 0.00 H new ATOM 0 HG2 MET A 16 58.182 3.052 -1.108 1.00 0.00 H new ATOM 0 HG3 MET A 16 58.894 2.466 -2.598 1.00 0.00 H new ATOM 0 HE1 MET A 16 56.282 0.035 -4.020 1.00 0.00 H new ATOM 0 HE2 MET A 16 57.928 0.707 -4.101 1.00 0.00 H new ATOM 0 HE3 MET A 16 57.522 -0.507 -2.865 1.00 0.00 H new ATOM 282 N MET A 17 60.495 0.696 2.383 1.00 0.00 N ATOM 283 CA MET A 17 60.900 -0.328 3.332 1.00 0.00 C ATOM 284 C MET A 17 59.735 -1.264 3.658 1.00 0.00 C ATOM 285 O MET A 17 59.901 -2.482 3.680 1.00 0.00 O ATOM 286 CB MET A 17 61.398 0.336 4.617 1.00 0.00 C ATOM 287 CG MET A 17 62.890 0.665 4.522 1.00 0.00 C ATOM 288 SD MET A 17 63.657 0.488 6.124 1.00 0.00 S ATOM 289 CE MET A 17 64.769 -0.867 5.787 1.00 0.00 C ATOM 0 H MET A 17 60.671 1.653 2.688 1.00 0.00 H new ATOM 0 HA MET A 17 61.700 -0.917 2.884 1.00 0.00 H new ATOM 0 HB2 MET A 17 60.832 1.249 4.802 1.00 0.00 H new ATOM 0 HB3 MET A 17 61.221 -0.326 5.465 1.00 0.00 H new ATOM 0 HG2 MET A 17 63.372 0.002 3.804 1.00 0.00 H new ATOM 0 HG3 MET A 17 63.024 1.683 4.156 1.00 0.00 H new ATOM 0 HE1 MET A 17 65.331 -1.109 6.689 1.00 0.00 H new ATOM 0 HE2 MET A 17 64.195 -1.739 5.472 1.00 0.00 H new ATOM 0 HE3 MET A 17 65.460 -0.582 4.994 1.00 0.00 H new ATOM 299 N ASP A 18 58.583 -0.659 3.905 1.00 0.00 N ATOM 300 CA ASP A 18 57.390 -1.423 4.229 1.00 0.00 C ATOM 301 C ASP A 18 57.745 -2.503 5.254 1.00 0.00 C ATOM 302 O ASP A 18 58.151 -3.604 4.886 1.00 0.00 O ATOM 303 CB ASP A 18 56.826 -2.117 2.988 1.00 0.00 C ATOM 304 CG ASP A 18 56.422 -1.178 1.850 1.00 0.00 C ATOM 305 OD1 ASP A 18 56.485 0.053 1.984 1.00 0.00 O ATOM 306 OD2 ASP A 18 56.022 -1.767 0.773 1.00 0.00 O ATOM 0 H ASP A 18 58.450 0.352 3.887 1.00 0.00 H new ATOM 0 HA ASP A 18 56.645 -0.733 4.626 1.00 0.00 H new ATOM 0 HB2 ASP A 18 57.571 -2.819 2.613 1.00 0.00 H new ATOM 0 HB3 ASP A 18 55.955 -2.703 3.282 1.00 0.00 H new ATOM 312 N THR A 19 57.579 -2.149 6.520 1.00 0.00 N ATOM 313 CA THR A 19 57.877 -3.073 7.601 1.00 0.00 C ATOM 314 C THR A 19 56.660 -3.236 8.514 1.00 0.00 C ATOM 315 O THR A 19 56.234 -4.356 8.793 1.00 0.00 O ATOM 316 CB THR A 19 59.120 -2.562 8.331 1.00 0.00 C ATOM 317 OG1 THR A 19 58.830 -1.192 8.593 1.00 0.00 O ATOM 318 CG2 THR A 19 60.353 -2.516 7.426 1.00 0.00 C ATOM 0 H THR A 19 57.242 -1.235 6.821 1.00 0.00 H new ATOM 0 HA THR A 19 58.094 -4.071 7.220 1.00 0.00 H new ATOM 0 HB THR A 19 59.324 -3.201 9.190 1.00 0.00 H new ATOM 0 HG1 THR A 19 59.584 -0.783 9.067 1.00 0.00 H new ATOM 0 HG21 THR A 19 61.207 -2.146 7.993 1.00 0.00 H new ATOM 0 HG22 THR A 19 60.570 -3.518 7.055 1.00 0.00 H new ATOM 0 HG23 THR A 19 60.162 -1.851 6.584 1.00 0.00 H new ATOM 326 N GLN A 20 56.134 -2.102 8.954 1.00 0.00 N ATOM 327 CA GLN A 20 54.975 -2.105 9.829 1.00 0.00 C ATOM 328 C GLN A 20 53.792 -1.414 9.146 1.00 0.00 C ATOM 329 O GLN A 20 52.677 -1.933 9.155 1.00 0.00 O ATOM 330 CB GLN A 20 55.298 -1.441 11.169 1.00 0.00 C ATOM 331 CG GLN A 20 55.568 0.055 10.989 1.00 0.00 C ATOM 332 CD GLN A 20 56.203 0.652 12.246 1.00 0.00 C ATOM 333 OE1 GLN A 20 57.229 0.203 12.728 1.00 0.00 O ATOM 334 NE2 GLN A 20 55.536 1.688 12.748 1.00 0.00 N ATOM 0 H GLN A 20 56.490 -1.175 8.720 1.00 0.00 H new ATOM 0 HA GLN A 20 54.699 -3.140 10.031 1.00 0.00 H new ATOM 0 HB2 GLN A 20 54.467 -1.584 11.859 1.00 0.00 H new ATOM 0 HB3 GLN A 20 56.169 -1.920 11.616 1.00 0.00 H new ATOM 0 HG2 GLN A 20 56.228 0.209 10.135 1.00 0.00 H new ATOM 0 HG3 GLN A 20 54.635 0.573 10.768 1.00 0.00 H new ATOM 0 HE21 GLN A 20 54.682 2.013 12.294 1.00 0.00 H new ATOM 0 HE22 GLN A 20 55.878 2.157 13.587 1.00 0.00 H new ATOM 343 N LEU A 21 54.077 -0.255 8.572 1.00 0.00 N ATOM 344 CA LEU A 21 53.050 0.512 7.886 1.00 0.00 C ATOM 345 C LEU A 21 52.998 0.086 6.417 1.00 0.00 C ATOM 346 O LEU A 21 53.401 0.842 5.534 1.00 0.00 O ATOM 347 CB LEU A 21 53.280 2.011 8.084 1.00 0.00 C ATOM 348 CG LEU A 21 52.958 2.561 9.475 1.00 0.00 C ATOM 349 CD1 LEU A 21 53.988 3.609 9.902 1.00 0.00 C ATOM 350 CD2 LEU A 21 51.529 3.105 9.533 1.00 0.00 C ATOM 0 H LEU A 21 55.003 0.172 8.567 1.00 0.00 H new ATOM 0 HA LEU A 21 52.069 0.304 8.313 1.00 0.00 H new ATOM 0 HB2 LEU A 21 54.324 2.231 7.861 1.00 0.00 H new ATOM 0 HB3 LEU A 21 52.677 2.551 7.353 1.00 0.00 H new ATOM 0 HG LEU A 21 53.019 1.740 10.189 1.00 0.00 H new ATOM 0 HD11 LEU A 21 53.736 3.984 10.894 1.00 0.00 H new ATOM 0 HD12 LEU A 21 54.979 3.156 9.926 1.00 0.00 H new ATOM 0 HD13 LEU A 21 53.984 4.435 9.190 1.00 0.00 H new ATOM 0 HD21 LEU A 21 51.326 3.490 10.533 1.00 0.00 H new ATOM 0 HD22 LEU A 21 51.416 3.908 8.805 1.00 0.00 H new ATOM 0 HD23 LEU A 21 50.825 2.305 9.303 1.00 0.00 H new ATOM 362 N THR A 22 52.500 -1.122 6.201 1.00 0.00 N ATOM 363 CA THR A 22 52.390 -1.657 4.855 1.00 0.00 C ATOM 364 C THR A 22 50.920 -1.799 4.455 1.00 0.00 C ATOM 365 O THR A 22 50.579 -1.687 3.279 1.00 0.00 O ATOM 366 CB THR A 22 53.163 -2.976 4.806 1.00 0.00 C ATOM 367 OG1 THR A 22 52.820 -3.533 3.540 1.00 0.00 O ATOM 368 CG2 THR A 22 52.641 -3.999 5.817 1.00 0.00 C ATOM 0 H THR A 22 52.168 -1.746 6.936 1.00 0.00 H new ATOM 0 HA THR A 22 52.829 -0.979 4.123 1.00 0.00 H new ATOM 0 HB THR A 22 54.219 -2.784 4.996 1.00 0.00 H new ATOM 0 HG1 THR A 22 53.280 -4.391 3.425 1.00 0.00 H new ATOM 0 HG21 THR A 22 53.224 -4.917 5.740 1.00 0.00 H new ATOM 0 HG22 THR A 22 52.733 -3.594 6.825 1.00 0.00 H new ATOM 0 HG23 THR A 22 51.594 -4.216 5.607 1.00 0.00 H new ATOM 376 N LYS A 23 50.089 -2.043 5.458 1.00 0.00 N ATOM 377 CA LYS A 23 48.663 -2.202 5.226 1.00 0.00 C ATOM 378 C LYS A 23 48.446 -3.033 3.960 1.00 0.00 C ATOM 379 O LYS A 23 49.352 -3.732 3.509 1.00 0.00 O ATOM 380 CB LYS A 23 47.971 -0.838 5.192 1.00 0.00 C ATOM 381 CG LYS A 23 48.314 -0.081 3.908 1.00 0.00 C ATOM 382 CD LYS A 23 49.473 0.891 4.137 1.00 0.00 C ATOM 383 CE LYS A 23 49.219 2.224 3.430 1.00 0.00 C ATOM 384 NZ LYS A 23 49.367 3.350 4.379 1.00 0.00 N ATOM 0 H LYS A 23 50.376 -2.134 6.433 1.00 0.00 H new ATOM 0 HA LYS A 23 48.202 -2.748 6.049 1.00 0.00 H new ATOM 0 HB2 LYS A 23 46.892 -0.972 5.262 1.00 0.00 H new ATOM 0 HB3 LYS A 23 48.276 -0.250 6.058 1.00 0.00 H new ATOM 0 HG2 LYS A 23 48.579 -0.790 3.124 1.00 0.00 H new ATOM 0 HG3 LYS A 23 47.438 0.467 3.560 1.00 0.00 H new ATOM 0 HD2 LYS A 23 49.604 1.061 5.206 1.00 0.00 H new ATOM 0 HD3 LYS A 23 50.400 0.451 3.769 1.00 0.00 H new ATOM 0 HE2 LYS A 23 49.919 2.343 2.603 1.00 0.00 H new ATOM 0 HE3 LYS A 23 48.216 2.230 3.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 49.191 4.247 3.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 48.682 3.243 5.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 50.332 3.352 4.767 1.00 0.00 H new ATOM 397 N ARG A 24 47.239 -2.930 3.423 1.00 0.00 N ATOM 398 CA ARG A 24 46.892 -3.664 2.218 1.00 0.00 C ATOM 399 C ARG A 24 46.211 -2.736 1.209 1.00 0.00 C ATOM 400 O ARG A 24 45.659 -1.703 1.585 1.00 0.00 O ATOM 401 CB ARG A 24 45.958 -4.833 2.535 1.00 0.00 C ATOM 402 CG ARG A 24 44.586 -4.332 2.990 1.00 0.00 C ATOM 403 CD ARG A 24 44.291 -4.767 4.427 1.00 0.00 C ATOM 404 NE ARG A 24 42.895 -5.244 4.535 1.00 0.00 N ATOM 405 CZ ARG A 24 42.506 -6.512 4.284 1.00 0.00 C ATOM 406 NH1 ARG A 24 43.408 -7.443 3.906 1.00 0.00 N ATOM 407 NH2 ARG A 24 41.231 -6.828 4.412 1.00 0.00 N ATOM 0 H ARG A 24 46.490 -2.350 3.800 1.00 0.00 H new ATOM 0 HA ARG A 24 47.815 -4.056 1.791 1.00 0.00 H new ATOM 0 HB2 ARG A 24 45.845 -5.462 1.652 1.00 0.00 H new ATOM 0 HB3 ARG A 24 46.399 -5.454 3.315 1.00 0.00 H new ATOM 0 HG2 ARG A 24 44.551 -3.245 2.921 1.00 0.00 H new ATOM 0 HG3 ARG A 24 43.815 -4.719 2.324 1.00 0.00 H new ATOM 0 HD2 ARG A 24 44.979 -5.559 4.724 1.00 0.00 H new ATOM 0 HD3 ARG A 24 44.452 -3.932 5.109 1.00 0.00 H new ATOM 0 HE ARG A 24 42.181 -4.572 4.817 1.00 0.00 H new ATOM 0 HH11 ARG A 24 44.391 -7.190 3.808 1.00 0.00 H new ATOM 0 HH12 ARG A 24 43.106 -8.399 3.718 1.00 0.00 H new ATOM 0 HH21 ARG A 24 40.556 -6.118 4.697 1.00 0.00 H new ATOM 0 HH22 ARG A 24 40.921 -7.782 4.226 1.00 0.00 H new ATOM 420 N VAL A 25 46.274 -3.138 -0.052 1.00 0.00 N ATOM 421 CA VAL A 25 45.671 -2.355 -1.118 1.00 0.00 C ATOM 422 C VAL A 25 45.971 -0.873 -0.889 1.00 0.00 C ATOM 423 O VAL A 25 45.073 -0.035 -0.959 1.00 0.00 O ATOM 424 CB VAL A 25 44.173 -2.655 -1.204 1.00 0.00 C ATOM 425 CG1 VAL A 25 43.457 -2.247 0.086 1.00 0.00 C ATOM 426 CG2 VAL A 25 43.545 -1.971 -2.419 1.00 0.00 C ATOM 0 H VAL A 25 46.733 -3.995 -0.360 1.00 0.00 H new ATOM 0 HA VAL A 25 46.100 -2.628 -2.082 1.00 0.00 H new ATOM 0 HB VAL A 25 44.054 -3.731 -1.327 1.00 0.00 H new ATOM 0 HG11 VAL A 25 42.394 -2.471 -0.002 1.00 0.00 H new ATOM 0 HG12 VAL A 25 43.877 -2.801 0.926 1.00 0.00 H new ATOM 0 HG13 VAL A 25 43.590 -1.178 0.254 1.00 0.00 H new ATOM 0 HG21 VAL A 25 42.480 -2.201 -2.456 1.00 0.00 H new ATOM 0 HG22 VAL A 25 43.681 -0.892 -2.340 1.00 0.00 H new ATOM 0 HG23 VAL A 25 44.026 -2.332 -3.328 1.00 0.00 H new ATOM 436 N LYS A 26 47.238 -0.593 -0.619 1.00 0.00 N ATOM 437 CA LYS A 26 47.669 0.773 -0.380 1.00 0.00 C ATOM 438 C LYS A 26 46.606 1.501 0.446 1.00 0.00 C ATOM 439 O LYS A 26 46.396 2.701 0.276 1.00 0.00 O ATOM 440 CB LYS A 26 48.003 1.469 -1.700 1.00 0.00 C ATOM 441 CG LYS A 26 48.607 2.853 -1.454 1.00 0.00 C ATOM 442 CD LYS A 26 49.581 2.825 -0.274 1.00 0.00 C ATOM 443 CE LYS A 26 50.445 4.087 -0.245 1.00 0.00 C ATOM 444 NZ LYS A 26 51.875 3.740 -0.402 1.00 0.00 N ATOM 0 H LYS A 26 47.980 -1.290 -0.561 1.00 0.00 H new ATOM 0 HA LYS A 26 48.591 0.785 0.202 1.00 0.00 H new ATOM 0 HB2 LYS A 26 48.704 0.859 -2.270 1.00 0.00 H new ATOM 0 HB3 LYS A 26 47.100 1.565 -2.303 1.00 0.00 H new ATOM 0 HG2 LYS A 26 49.126 3.192 -2.351 1.00 0.00 H new ATOM 0 HG3 LYS A 26 47.811 3.571 -1.256 1.00 0.00 H new ATOM 0 HD2 LYS A 26 49.024 2.740 0.659 1.00 0.00 H new ATOM 0 HD3 LYS A 26 50.220 1.945 -0.346 1.00 0.00 H new ATOM 0 HE2 LYS A 26 50.139 4.763 -1.044 1.00 0.00 H new ATOM 0 HE3 LYS A 26 50.294 4.616 0.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 52.447 4.608 -0.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 52.167 3.113 0.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 52.017 3.255 -1.311 1.00 0.00 H new ATOM 457 N ASN A 27 45.963 0.743 1.323 1.00 0.00 N ATOM 458 CA ASN A 27 44.927 1.301 2.176 1.00 0.00 C ATOM 459 C ASN A 27 43.599 1.311 1.417 1.00 0.00 C ATOM 460 O ASN A 27 42.578 0.864 1.939 1.00 0.00 O ATOM 461 CB ASN A 27 45.256 2.741 2.572 1.00 0.00 C ATOM 462 CG ASN A 27 44.546 3.129 3.871 1.00 0.00 C ATOM 463 OD1 ASN A 27 43.838 4.120 3.950 1.00 0.00 O ATOM 464 ND2 ASN A 27 44.773 2.295 4.881 1.00 0.00 N ATOM 0 H ASN A 27 46.139 -0.252 1.461 1.00 0.00 H new ATOM 0 HA ASN A 27 44.862 0.686 3.074 1.00 0.00 H new ATOM 0 HB2 ASN A 27 46.333 2.851 2.696 1.00 0.00 H new ATOM 0 HB3 ASN A 27 44.956 3.419 1.773 1.00 0.00 H new ATOM 0 HD21 ASN A 27 44.344 2.466 5.790 1.00 0.00 H new ATOM 0 HD22 ASN A 27 45.376 1.484 4.747 1.00 0.00 H new ATOM 471 N ALA A 28 43.654 1.825 0.197 1.00 0.00 N ATOM 472 CA ALA A 28 42.468 1.898 -0.639 1.00 0.00 C ATOM 473 C ALA A 28 41.514 2.951 -0.071 1.00 0.00 C ATOM 474 O ALA A 28 41.172 3.916 -0.753 1.00 0.00 O ATOM 475 CB ALA A 28 41.821 0.515 -0.730 1.00 0.00 C ATOM 0 H ALA A 28 44.502 2.195 -0.233 1.00 0.00 H new ATOM 0 HA ALA A 28 42.731 2.202 -1.652 1.00 0.00 H new ATOM 0 HB1 ALA A 28 40.931 0.570 -1.357 1.00 0.00 H new ATOM 0 HB2 ALA A 28 42.529 -0.190 -1.166 1.00 0.00 H new ATOM 0 HB3 ALA A 28 41.541 0.178 0.268 1.00 0.00 H new ATOM 481 N ALA A 29 41.111 2.730 1.172 1.00 0.00 N ATOM 482 CA ALA A 29 40.204 3.648 1.839 1.00 0.00 C ATOM 483 C ALA A 29 39.956 3.165 3.269 1.00 0.00 C ATOM 484 O ALA A 29 38.907 2.594 3.562 1.00 0.00 O ATOM 485 CB ALA A 29 38.910 3.764 1.030 1.00 0.00 C ATOM 0 H ALA A 29 41.396 1.928 1.734 1.00 0.00 H new ATOM 0 HA ALA A 29 40.642 4.644 1.899 1.00 0.00 H new ATOM 0 HB1 ALA A 29 38.229 4.453 1.530 1.00 0.00 H new ATOM 0 HB2 ALA A 29 39.137 4.139 0.032 1.00 0.00 H new ATOM 0 HB3 ALA A 29 38.441 2.783 0.951 1.00 0.00 H new ATOM 491 N ALA A 30 40.940 3.412 4.122 1.00 0.00 N ATOM 492 CA ALA A 30 40.842 3.009 5.514 1.00 0.00 C ATOM 493 C ALA A 30 39.403 3.199 5.996 1.00 0.00 C ATOM 494 O ALA A 30 38.732 2.233 6.356 1.00 0.00 O ATOM 495 CB ALA A 30 41.847 3.806 6.348 1.00 0.00 C ATOM 0 H ALA A 30 41.809 3.886 3.875 1.00 0.00 H new ATOM 0 HA ALA A 30 41.090 1.953 5.626 1.00 0.00 H new ATOM 0 HB1 ALA A 30 41.774 3.504 7.393 1.00 0.00 H new ATOM 0 HB2 ALA A 30 42.856 3.613 5.984 1.00 0.00 H new ATOM 0 HB3 ALA A 30 41.628 4.870 6.262 1.00 0.00 H new ATOM 501 N ASN A 31 38.970 4.451 5.986 1.00 0.00 N ATOM 502 CA ASN A 31 37.622 4.781 6.418 1.00 0.00 C ATOM 503 C ASN A 31 37.235 6.152 5.862 1.00 0.00 C ATOM 504 O ASN A 31 36.407 6.851 6.444 1.00 0.00 O ATOM 505 CB ASN A 31 37.533 4.847 7.944 1.00 0.00 C ATOM 506 CG ASN A 31 37.130 3.492 8.528 1.00 0.00 C ATOM 507 OD1 ASN A 31 35.823 3.251 8.485 1.00 0.00 O flip ATOM 508 ND2 ASN A 31 37.952 2.716 8.988 1.00 0.00 N flip ATOM 0 H ASN A 31 39.529 5.250 5.685 1.00 0.00 H new ATOM 0 HA ASN A 31 36.951 4.005 6.051 1.00 0.00 H new ATOM 0 HB2 ASN A 31 38.495 5.153 8.355 1.00 0.00 H new ATOM 0 HB3 ASN A 31 36.806 5.604 8.237 1.00 0.00 H new ATOM 0 HD21 ASN A 31 38.942 2.963 8.990 1.00 0.00 H new ATOM 0 HD22 ASN A 31 37.649 1.820 9.370 1.00 0.00 H new ATOM 515 N VAL A 32 37.851 6.497 4.740 1.00 0.00 N ATOM 516 CA VAL A 32 37.581 7.772 4.099 1.00 0.00 C ATOM 517 C VAL A 32 37.465 8.861 5.168 1.00 0.00 C ATOM 518 O VAL A 32 36.825 9.888 4.947 1.00 0.00 O ATOM 519 CB VAL A 32 36.333 7.663 3.221 1.00 0.00 C ATOM 520 CG1 VAL A 32 35.143 7.131 4.022 1.00 0.00 C ATOM 521 CG2 VAL A 32 36.000 9.007 2.571 1.00 0.00 C ATOM 0 H VAL A 32 38.536 5.915 4.259 1.00 0.00 H new ATOM 0 HA VAL A 32 38.403 8.049 3.439 1.00 0.00 H new ATOM 0 HB VAL A 32 36.546 6.950 2.425 1.00 0.00 H new ATOM 0 HG11 VAL A 32 34.269 7.063 3.374 1.00 0.00 H new ATOM 0 HG12 VAL A 32 35.381 6.142 4.414 1.00 0.00 H new ATOM 0 HG13 VAL A 32 34.930 7.808 4.849 1.00 0.00 H new ATOM 0 HG21 VAL A 32 35.109 8.901 1.952 1.00 0.00 H new ATOM 0 HG22 VAL A 32 35.817 9.751 3.346 1.00 0.00 H new ATOM 0 HG23 VAL A 32 36.836 9.328 1.950 1.00 0.00 H new ATOM 531 N LEU A 33 38.096 8.600 6.304 1.00 0.00 N ATOM 532 CA LEU A 33 38.072 9.545 7.407 1.00 0.00 C ATOM 533 C LEU A 33 36.633 9.708 7.902 1.00 0.00 C ATOM 534 O LEU A 33 36.323 9.369 9.043 1.00 0.00 O ATOM 535 CB LEU A 33 38.735 10.862 6.999 1.00 0.00 C ATOM 536 CG LEU A 33 39.242 11.741 8.145 1.00 0.00 C ATOM 537 CD1 LEU A 33 40.374 12.656 7.674 1.00 0.00 C ATOM 538 CD2 LEU A 33 38.095 12.528 8.781 1.00 0.00 C ATOM 0 H LEU A 33 38.627 7.748 6.484 1.00 0.00 H new ATOM 0 HA LEU A 33 38.657 9.167 8.245 1.00 0.00 H new ATOM 0 HB2 LEU A 33 39.575 10.635 6.343 1.00 0.00 H new ATOM 0 HB3 LEU A 33 38.020 11.440 6.413 1.00 0.00 H new ATOM 0 HG LEU A 33 39.653 11.092 8.918 1.00 0.00 H new ATOM 0 HD11 LEU A 33 40.716 13.270 8.507 1.00 0.00 H new ATOM 0 HD12 LEU A 33 41.202 12.050 7.306 1.00 0.00 H new ATOM 0 HD13 LEU A 33 40.012 13.301 6.873 1.00 0.00 H new ATOM 0 HD21 LEU A 33 38.482 13.144 9.592 1.00 0.00 H new ATOM 0 HD22 LEU A 33 37.632 13.167 8.029 1.00 0.00 H new ATOM 0 HD23 LEU A 33 37.352 11.834 9.175 1.00 0.00 H new ATOM 550 N ARG A 34 35.793 10.228 7.019 1.00 0.00 N ATOM 551 CA ARG A 34 34.395 10.441 7.352 1.00 0.00 C ATOM 552 C ARG A 34 33.649 9.106 7.386 1.00 0.00 C ATOM 553 O ARG A 34 32.498 9.044 7.817 1.00 0.00 O ATOM 554 CB ARG A 34 33.722 11.368 6.338 1.00 0.00 C ATOM 555 CG ARG A 34 33.706 10.736 4.944 1.00 0.00 C ATOM 556 CD ARG A 34 33.422 11.787 3.869 1.00 0.00 C ATOM 557 NE ARG A 34 34.646 12.045 3.078 1.00 0.00 N ATOM 558 CZ ARG A 34 34.671 12.765 1.936 1.00 0.00 C ATOM 559 NH1 ARG A 34 33.538 13.305 1.441 1.00 0.00 N ATOM 560 NH2 ARG A 34 35.822 12.931 1.310 1.00 0.00 N ATOM 0 H ARG A 34 36.054 10.508 6.073 1.00 0.00 H new ATOM 0 HA ARG A 34 34.356 10.909 8.336 1.00 0.00 H new ATOM 0 HB2 ARG A 34 32.702 11.581 6.656 1.00 0.00 H new ATOM 0 HB3 ARG A 34 34.251 12.320 6.303 1.00 0.00 H new ATOM 0 HG2 ARG A 34 34.666 10.258 4.746 1.00 0.00 H new ATOM 0 HG3 ARG A 34 32.947 9.955 4.904 1.00 0.00 H new ATOM 0 HD2 ARG A 34 32.622 11.442 3.214 1.00 0.00 H new ATOM 0 HD3 ARG A 34 33.078 12.711 4.334 1.00 0.00 H new ATOM 0 HE ARG A 34 35.525 11.655 3.417 1.00 0.00 H new ATOM 0 HH11 ARG A 34 32.653 13.171 1.930 1.00 0.00 H new ATOM 0 HH12 ARG A 34 33.566 13.847 0.578 1.00 0.00 H new ATOM 0 HH21 ARG A 34 36.674 12.518 1.690 1.00 0.00 H new ATOM 0 HH22 ARG A 34 35.859 13.472 0.446 1.00 0.00 H new ATOM 573 N GLU A 35 34.334 8.069 6.925 1.00 0.00 N ATOM 574 CA GLU A 35 33.750 6.739 6.897 1.00 0.00 C ATOM 575 C GLU A 35 32.294 6.808 6.434 1.00 0.00 C ATOM 576 O GLU A 35 31.378 6.537 7.209 1.00 0.00 O ATOM 577 CB GLU A 35 33.858 6.064 8.266 1.00 0.00 C ATOM 578 CG GLU A 35 33.330 6.979 9.372 1.00 0.00 C ATOM 579 CD GLU A 35 33.344 6.267 10.727 1.00 0.00 C ATOM 580 OE1 GLU A 35 32.488 5.409 10.985 1.00 0.00 O ATOM 581 OE2 GLU A 35 34.289 6.634 11.525 1.00 0.00 O ATOM 0 H GLU A 35 35.288 8.123 6.568 1.00 0.00 H new ATOM 0 HA GLU A 35 34.309 6.133 6.184 1.00 0.00 H new ATOM 0 HB2 GLU A 35 33.294 5.131 8.261 1.00 0.00 H new ATOM 0 HB3 GLU A 35 34.898 5.807 8.468 1.00 0.00 H new ATOM 0 HG2 GLU A 35 33.940 7.881 9.425 1.00 0.00 H new ATOM 0 HG3 GLU A 35 32.314 7.295 9.134 1.00 0.00 H new ATOM 589 N THR A 36 32.124 7.173 5.171 1.00 0.00 N ATOM 590 CA THR A 36 30.795 7.281 4.595 1.00 0.00 C ATOM 591 C THR A 36 30.254 5.895 4.239 1.00 0.00 C ATOM 592 O THR A 36 29.061 5.737 3.982 1.00 0.00 O ATOM 593 CB THR A 36 30.875 8.229 3.397 1.00 0.00 C ATOM 594 OG1 THR A 36 29.583 8.828 3.342 1.00 0.00 O ATOM 595 CG2 THR A 36 30.996 7.482 2.067 1.00 0.00 C ATOM 0 H THR A 36 32.886 7.398 4.531 1.00 0.00 H new ATOM 0 HA THR A 36 30.086 7.698 5.310 1.00 0.00 H new ATOM 0 HB THR A 36 31.729 8.896 3.518 1.00 0.00 H new ATOM 0 HG1 THR A 36 29.547 9.459 2.593 1.00 0.00 H new ATOM 0 HG21 THR A 36 31.049 8.201 1.249 1.00 0.00 H new ATOM 0 HG22 THR A 36 31.899 6.872 2.073 1.00 0.00 H new ATOM 0 HG23 THR A 36 30.126 6.840 1.930 1.00 0.00 H new ATOM 603 N TRP A 37 31.157 4.925 4.235 1.00 0.00 N ATOM 604 CA TRP A 37 30.785 3.558 3.915 1.00 0.00 C ATOM 605 C TRP A 37 30.398 2.855 5.218 1.00 0.00 C ATOM 606 O TRP A 37 29.883 1.738 5.196 1.00 0.00 O ATOM 607 CB TRP A 37 31.911 2.845 3.163 1.00 0.00 C ATOM 608 CG TRP A 37 33.069 3.761 2.762 1.00 0.00 C ATOM 609 CD1 TRP A 37 34.250 3.914 3.375 1.00 0.00 C ATOM 610 CD2 TRP A 37 33.107 4.651 1.626 1.00 0.00 C ATOM 611 NE1 TRP A 37 35.044 4.833 2.720 1.00 0.00 N ATOM 612 CE2 TRP A 37 34.328 5.295 1.623 1.00 0.00 C ATOM 613 CE3 TRP A 37 32.143 4.902 0.634 1.00 0.00 C ATOM 614 CZ2 TRP A 37 34.697 6.233 0.651 1.00 0.00 C ATOM 615 CZ3 TRP A 37 32.528 5.842 -0.330 1.00 0.00 C ATOM 616 CH2 TRP A 37 33.752 6.499 -0.347 1.00 0.00 C ATOM 0 H TRP A 37 32.145 5.059 4.448 1.00 0.00 H new ATOM 0 HA TRP A 37 29.928 3.540 3.242 1.00 0.00 H new ATOM 0 HB2 TRP A 37 32.298 2.040 3.787 1.00 0.00 H new ATOM 0 HB3 TRP A 37 31.499 2.383 2.266 1.00 0.00 H new ATOM 0 HD1 TRP A 37 34.544 3.385 4.269 1.00 0.00 H new ATOM 0 HE1 TRP A 37 35.984 5.120 2.992 1.00 0.00 H new ATOM 0 HE3 TRP A 37 31.182 4.409 0.617 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 35.658 6.725 0.670 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 31.824 6.072 -1.116 1.00 0.00 H new ATOM 0 HH2 TRP A 37 33.974 7.212 -1.127 1.00 0.00 H new ATOM 627 N LEU A 38 30.661 3.539 6.322 1.00 0.00 N ATOM 628 CA LEU A 38 30.346 2.994 7.632 1.00 0.00 C ATOM 629 C LEU A 38 28.965 3.489 8.066 1.00 0.00 C ATOM 630 O LEU A 38 28.193 2.739 8.663 1.00 0.00 O ATOM 631 CB LEU A 38 31.459 3.322 8.629 1.00 0.00 C ATOM 632 CG LEU A 38 32.848 2.780 8.288 1.00 0.00 C ATOM 633 CD1 LEU A 38 32.940 1.282 8.587 1.00 0.00 C ATOM 634 CD2 LEU A 38 33.219 3.098 6.838 1.00 0.00 C ATOM 0 H LEU A 38 31.088 4.465 6.336 1.00 0.00 H new ATOM 0 HA LEU A 38 30.296 1.906 7.591 1.00 0.00 H new ATOM 0 HB2 LEU A 38 31.527 4.406 8.723 1.00 0.00 H new ATOM 0 HB3 LEU A 38 31.170 2.935 9.606 1.00 0.00 H new ATOM 0 HG LEU A 38 33.577 3.281 8.925 1.00 0.00 H new ATOM 0 HD11 LEU A 38 33.937 0.921 8.336 1.00 0.00 H new ATOM 0 HD12 LEU A 38 32.748 1.110 9.646 1.00 0.00 H new ATOM 0 HD13 LEU A 38 32.200 0.746 7.992 1.00 0.00 H new ATOM 0 HD21 LEU A 38 34.211 2.702 6.621 1.00 0.00 H new ATOM 0 HD22 LEU A 38 32.491 2.641 6.168 1.00 0.00 H new ATOM 0 HD23 LEU A 38 33.219 4.178 6.691 1.00 0.00 H new ATOM 646 N ILE A 39 28.695 4.747 7.750 1.00 0.00 N ATOM 647 CA ILE A 39 27.421 5.349 8.101 1.00 0.00 C ATOM 648 C ILE A 39 26.384 4.998 7.032 1.00 0.00 C ATOM 649 O ILE A 39 25.238 4.686 7.352 1.00 0.00 O ATOM 650 CB ILE A 39 27.584 6.854 8.328 1.00 0.00 C ATOM 651 CG1 ILE A 39 28.264 7.519 7.130 1.00 0.00 C ATOM 652 CG2 ILE A 39 28.326 7.133 9.637 1.00 0.00 C ATOM 653 CD1 ILE A 39 28.101 9.039 7.181 1.00 0.00 C ATOM 0 H ILE A 39 29.337 5.366 7.255 1.00 0.00 H new ATOM 0 HA ILE A 39 27.056 4.945 9.045 1.00 0.00 H new ATOM 0 HB ILE A 39 26.592 7.296 8.420 1.00 0.00 H new ATOM 0 HG12 ILE A 39 29.324 7.263 7.121 1.00 0.00 H new ATOM 0 HG13 ILE A 39 27.835 7.135 6.204 1.00 0.00 H new ATOM 0 HG21 ILE A 39 28.429 8.209 9.775 1.00 0.00 H new ATOM 0 HG22 ILE A 39 27.764 6.713 10.471 1.00 0.00 H new ATOM 0 HG23 ILE A 39 29.315 6.676 9.599 1.00 0.00 H new ATOM 0 HD11 ILE A 39 28.594 9.487 6.318 1.00 0.00 H new ATOM 0 HD12 ILE A 39 27.041 9.292 7.166 1.00 0.00 H new ATOM 0 HD13 ILE A 39 28.552 9.423 8.096 1.00 0.00 H new ATOM 665 N TYR A 40 26.824 5.061 5.783 1.00 0.00 N ATOM 666 CA TYR A 40 25.948 4.753 4.665 1.00 0.00 C ATOM 667 C TYR A 40 24.701 5.639 4.686 1.00 0.00 C ATOM 668 O TYR A 40 24.363 6.218 5.717 1.00 0.00 O ATOM 669 CB TYR A 40 25.526 3.294 4.849 1.00 0.00 C ATOM 670 CG TYR A 40 26.228 2.319 3.901 1.00 0.00 C ATOM 671 CD1 TYR A 40 27.587 2.424 3.685 1.00 0.00 C ATOM 672 CD2 TYR A 40 25.501 1.335 3.262 1.00 0.00 C ATOM 673 CE1 TYR A 40 28.247 1.507 2.792 1.00 0.00 C ATOM 674 CE2 TYR A 40 26.161 0.418 2.369 1.00 0.00 C ATOM 675 CZ TYR A 40 27.501 0.549 2.179 1.00 0.00 C ATOM 676 OH TYR A 40 28.125 -0.318 1.336 1.00 0.00 O ATOM 0 H TYR A 40 27.775 5.321 5.521 1.00 0.00 H new ATOM 0 HA TYR A 40 26.460 4.923 3.718 1.00 0.00 H new ATOM 0 HB2 TYR A 40 25.729 2.995 5.877 1.00 0.00 H new ATOM 0 HB3 TYR A 40 24.449 3.217 4.701 1.00 0.00 H new ATOM 0 HD1 TYR A 40 28.156 3.194 4.186 1.00 0.00 H new ATOM 0 HD2 TYR A 40 24.438 1.253 3.432 1.00 0.00 H new ATOM 0 HE1 TYR A 40 29.310 1.578 2.613 1.00 0.00 H new ATOM 0 HE2 TYR A 40 25.604 -0.356 1.862 1.00 0.00 H new ATOM 0 HH TYR A 40 27.469 -0.948 0.971 1.00 0.00 H new ATOM 686 N LYS A 41 24.051 5.717 3.534 1.00 0.00 N ATOM 687 CA LYS A 41 22.848 6.522 3.406 1.00 0.00 C ATOM 688 C LYS A 41 21.670 5.775 4.036 1.00 0.00 C ATOM 689 O LYS A 41 21.101 4.875 3.421 1.00 0.00 O ATOM 690 CB LYS A 41 22.617 6.913 1.946 1.00 0.00 C ATOM 691 CG LYS A 41 23.632 7.966 1.493 1.00 0.00 C ATOM 692 CD LYS A 41 24.903 7.306 0.954 1.00 0.00 C ATOM 693 CE LYS A 41 25.755 8.311 0.177 1.00 0.00 C ATOM 694 NZ LYS A 41 25.212 8.507 -1.186 1.00 0.00 N ATOM 0 H LYS A 41 24.335 5.236 2.681 1.00 0.00 H new ATOM 0 HA LYS A 41 22.959 7.460 3.949 1.00 0.00 H new ATOM 0 HB2 LYS A 41 22.697 6.030 1.312 1.00 0.00 H new ATOM 0 HB3 LYS A 41 21.606 7.302 1.825 1.00 0.00 H new ATOM 0 HG2 LYS A 41 23.189 8.595 0.721 1.00 0.00 H new ATOM 0 HG3 LYS A 41 23.883 8.618 2.330 1.00 0.00 H new ATOM 0 HD2 LYS A 41 25.482 6.895 1.781 1.00 0.00 H new ATOM 0 HD3 LYS A 41 24.637 6.471 0.305 1.00 0.00 H new ATOM 0 HE2 LYS A 41 25.777 9.264 0.706 1.00 0.00 H new ATOM 0 HE3 LYS A 41 26.784 7.955 0.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 25.840 9.139 -1.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 25.150 7.589 -1.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 24.264 8.931 -1.124 1.00 0.00 H new ATOM 707 N ASN A 42 21.340 6.177 5.255 1.00 0.00 N ATOM 708 CA ASN A 42 20.240 5.557 5.974 1.00 0.00 C ATOM 709 C ASN A 42 19.637 6.572 6.948 1.00 0.00 C ATOM 710 O ASN A 42 20.036 6.636 8.109 1.00 0.00 O ATOM 711 CB ASN A 42 20.722 4.353 6.786 1.00 0.00 C ATOM 712 CG ASN A 42 20.171 3.047 6.209 1.00 0.00 C ATOM 713 OD1 ASN A 42 19.782 2.963 5.056 1.00 0.00 O ATOM 714 ND2 ASN A 42 20.160 2.037 7.074 1.00 0.00 N ATOM 0 H ASN A 42 21.815 6.924 5.762 1.00 0.00 H new ATOM 0 HA ASN A 42 19.502 5.227 5.243 1.00 0.00 H new ATOM 0 HB2 ASN A 42 21.812 4.323 6.787 1.00 0.00 H new ATOM 0 HB3 ASN A 42 20.405 4.459 7.823 1.00 0.00 H new ATOM 0 HD21 ASN A 42 19.811 1.123 6.786 1.00 0.00 H new ATOM 0 HD22 ASN A 42 20.501 2.176 8.025 1.00 0.00 H new ATOM 721 N THR A 43 18.685 7.339 6.437 1.00 0.00 N ATOM 722 CA THR A 43 18.022 8.348 7.247 1.00 0.00 C ATOM 723 C THR A 43 16.568 8.517 6.803 1.00 0.00 C ATOM 724 O THR A 43 15.646 8.300 7.589 1.00 0.00 O ATOM 725 CB THR A 43 18.839 9.638 7.156 1.00 0.00 C ATOM 726 OG1 THR A 43 19.003 9.848 5.756 1.00 0.00 O ATOM 727 CG2 THR A 43 20.268 9.465 7.677 1.00 0.00 C ATOM 0 H THR A 43 18.357 7.282 5.473 1.00 0.00 H new ATOM 0 HA THR A 43 17.976 8.048 8.294 1.00 0.00 H new ATOM 0 HB THR A 43 18.339 10.424 7.722 1.00 0.00 H new ATOM 0 HG1 THR A 43 19.521 10.666 5.606 1.00 0.00 H new ATOM 0 HG21 THR A 43 20.804 10.410 7.590 1.00 0.00 H new ATOM 0 HG22 THR A 43 20.239 9.159 8.723 1.00 0.00 H new ATOM 0 HG23 THR A 43 20.779 8.702 7.090 1.00 0.00 H new ATOM 735 N LYS A 44 16.407 8.903 5.546 1.00 0.00 N ATOM 736 CA LYS A 44 15.081 9.104 4.989 1.00 0.00 C ATOM 737 C LYS A 44 14.526 7.762 4.507 1.00 0.00 C ATOM 738 O LYS A 44 14.969 7.232 3.490 1.00 0.00 O ATOM 739 CB LYS A 44 15.114 10.181 3.902 1.00 0.00 C ATOM 740 CG LYS A 44 16.005 9.754 2.734 1.00 0.00 C ATOM 741 CD LYS A 44 15.207 9.689 1.430 1.00 0.00 C ATOM 742 CE LYS A 44 15.465 10.926 0.567 1.00 0.00 C ATOM 743 NZ LYS A 44 14.437 11.043 -0.491 1.00 0.00 N ATOM 0 H LYS A 44 17.174 9.082 4.897 1.00 0.00 H new ATOM 0 HA LYS A 44 14.399 9.476 5.754 1.00 0.00 H new ATOM 0 HB2 LYS A 44 14.103 10.371 3.542 1.00 0.00 H new ATOM 0 HB3 LYS A 44 15.483 11.116 4.323 1.00 0.00 H new ATOM 0 HG2 LYS A 44 16.830 10.458 2.625 1.00 0.00 H new ATOM 0 HG3 LYS A 44 16.444 8.779 2.945 1.00 0.00 H new ATOM 0 HD2 LYS A 44 15.481 8.791 0.876 1.00 0.00 H new ATOM 0 HD3 LYS A 44 14.143 9.613 1.654 1.00 0.00 H new ATOM 0 HE2 LYS A 44 15.457 11.820 1.191 1.00 0.00 H new ATOM 0 HE3 LYS A 44 16.455 10.862 0.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 14.627 11.888 -1.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 14.464 10.198 -1.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 13.497 11.126 -0.054 1.00 0.00 H new ATOM 756 N LEU A 45 13.565 7.250 5.262 1.00 0.00 N ATOM 757 CA LEU A 45 12.944 5.980 4.926 1.00 0.00 C ATOM 758 C LEU A 45 11.871 6.208 3.860 1.00 0.00 C ATOM 759 O LEU A 45 10.705 5.876 4.067 1.00 0.00 O ATOM 760 CB LEU A 45 12.422 5.288 6.186 1.00 0.00 C ATOM 761 CG LEU A 45 13.441 5.083 7.310 1.00 0.00 C ATOM 762 CD1 LEU A 45 12.739 4.843 8.648 1.00 0.00 C ATOM 763 CD2 LEU A 45 14.418 3.957 6.965 1.00 0.00 C ATOM 0 H LEU A 45 13.201 7.692 6.106 1.00 0.00 H new ATOM 0 HA LEU A 45 13.679 5.298 4.498 1.00 0.00 H new ATOM 0 HB2 LEU A 45 11.590 5.872 6.579 1.00 0.00 H new ATOM 0 HB3 LEU A 45 12.022 4.314 5.903 1.00 0.00 H new ATOM 0 HG LEU A 45 14.026 5.997 7.412 1.00 0.00 H new ATOM 0 HD11 LEU A 45 13.485 4.700 9.430 1.00 0.00 H new ATOM 0 HD12 LEU A 45 12.117 5.704 8.892 1.00 0.00 H new ATOM 0 HD13 LEU A 45 12.114 3.953 8.576 1.00 0.00 H new ATOM 0 HD21 LEU A 45 15.131 3.832 7.780 1.00 0.00 H new ATOM 0 HD22 LEU A 45 13.866 3.028 6.820 1.00 0.00 H new ATOM 0 HD23 LEU A 45 14.953 4.208 6.049 1.00 0.00 H new ATOM 775 N VAL A 46 12.303 6.774 2.742 1.00 0.00 N ATOM 776 CA VAL A 46 11.393 7.050 1.643 1.00 0.00 C ATOM 777 C VAL A 46 12.053 6.638 0.325 1.00 0.00 C ATOM 778 O VAL A 46 12.740 7.440 -0.306 1.00 0.00 O ATOM 779 CB VAL A 46 10.974 8.521 1.668 1.00 0.00 C ATOM 780 CG1 VAL A 46 10.111 8.866 0.452 1.00 0.00 C ATOM 781 CG2 VAL A 46 10.248 8.862 2.971 1.00 0.00 C ATOM 0 H VAL A 46 13.271 7.049 2.574 1.00 0.00 H new ATOM 0 HA VAL A 46 10.480 6.464 1.746 1.00 0.00 H new ATOM 0 HB VAL A 46 11.878 9.128 1.620 1.00 0.00 H new ATOM 0 HG11 VAL A 46 9.827 9.917 0.494 1.00 0.00 H new ATOM 0 HG12 VAL A 46 10.677 8.679 -0.461 1.00 0.00 H new ATOM 0 HG13 VAL A 46 9.214 8.247 0.455 1.00 0.00 H new ATOM 0 HG21 VAL A 46 9.961 9.914 2.963 1.00 0.00 H new ATOM 0 HG22 VAL A 46 9.356 8.243 3.063 1.00 0.00 H new ATOM 0 HG23 VAL A 46 10.910 8.673 3.816 1.00 0.00 H new ATOM 791 N LYS A 47 11.819 5.390 -0.052 1.00 0.00 N ATOM 792 CA LYS A 47 12.382 4.862 -1.283 1.00 0.00 C ATOM 793 C LYS A 47 11.320 4.037 -2.012 1.00 0.00 C ATOM 794 O LYS A 47 11.638 3.275 -2.923 1.00 0.00 O ATOM 795 CB LYS A 47 13.671 4.090 -0.996 1.00 0.00 C ATOM 796 CG LYS A 47 13.390 2.856 -0.135 1.00 0.00 C ATOM 797 CD LYS A 47 13.908 3.053 1.291 1.00 0.00 C ATOM 798 CE LYS A 47 13.488 1.890 2.192 1.00 0.00 C ATOM 799 NZ LYS A 47 13.606 2.270 3.618 1.00 0.00 N ATOM 0 H LYS A 47 11.247 4.729 0.473 1.00 0.00 H new ATOM 0 HA LYS A 47 12.668 5.675 -1.950 1.00 0.00 H new ATOM 0 HB2 LYS A 47 14.134 3.785 -1.935 1.00 0.00 H new ATOM 0 HB3 LYS A 47 14.382 4.740 -0.486 1.00 0.00 H new ATOM 0 HG2 LYS A 47 12.318 2.660 -0.113 1.00 0.00 H new ATOM 0 HG3 LYS A 47 13.864 1.982 -0.581 1.00 0.00 H new ATOM 0 HD2 LYS A 47 14.995 3.134 1.279 1.00 0.00 H new ATOM 0 HD3 LYS A 47 13.523 3.989 1.696 1.00 0.00 H new ATOM 0 HE2 LYS A 47 12.460 1.603 1.970 1.00 0.00 H new ATOM 0 HE3 LYS A 47 14.113 1.020 1.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 13.317 1.469 4.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 14.593 2.522 3.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 12.991 3.086 3.812 1.00 0.00 H new ATOM 812 N LYS A 48 10.079 4.217 -1.583 1.00 0.00 N ATOM 813 CA LYS A 48 8.968 3.499 -2.183 1.00 0.00 C ATOM 814 C LYS A 48 8.735 4.021 -3.602 1.00 0.00 C ATOM 815 O LYS A 48 8.893 5.213 -3.862 1.00 0.00 O ATOM 816 CB LYS A 48 7.731 3.580 -1.287 1.00 0.00 C ATOM 817 CG LYS A 48 7.391 5.034 -0.952 1.00 0.00 C ATOM 818 CD LYS A 48 6.081 5.458 -1.619 1.00 0.00 C ATOM 819 CE LYS A 48 4.875 5.040 -0.776 1.00 0.00 C ATOM 820 NZ LYS A 48 3.784 6.031 -0.905 1.00 0.00 N ATOM 0 H LYS A 48 9.819 4.850 -0.827 1.00 0.00 H new ATOM 0 HA LYS A 48 9.202 2.438 -2.268 1.00 0.00 H new ATOM 0 HB2 LYS A 48 6.884 3.111 -1.787 1.00 0.00 H new ATOM 0 HB3 LYS A 48 7.907 3.023 -0.367 1.00 0.00 H new ATOM 0 HG2 LYS A 48 7.308 5.152 0.128 1.00 0.00 H new ATOM 0 HG3 LYS A 48 8.199 5.686 -1.283 1.00 0.00 H new ATOM 0 HD2 LYS A 48 6.074 6.539 -1.759 1.00 0.00 H new ATOM 0 HD3 LYS A 48 6.011 5.007 -2.609 1.00 0.00 H new ATOM 0 HE2 LYS A 48 4.523 4.059 -1.096 1.00 0.00 H new ATOM 0 HE3 LYS A 48 5.169 4.948 0.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 2.973 5.732 -0.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 4.118 6.960 -0.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 3.492 6.099 -1.901 1.00 0.00 H new ATOM 833 N ILE A 49 8.363 3.104 -4.483 1.00 0.00 N ATOM 834 CA ILE A 49 8.107 3.458 -5.869 1.00 0.00 C ATOM 835 C ILE A 49 6.971 4.481 -5.928 1.00 0.00 C ATOM 836 O ILE A 49 6.608 5.071 -4.911 1.00 0.00 O ATOM 837 CB ILE A 49 7.848 2.202 -6.703 1.00 0.00 C ATOM 838 CG1 ILE A 49 6.413 1.706 -6.516 1.00 0.00 C ATOM 839 CG2 ILE A 49 8.876 1.113 -6.389 1.00 0.00 C ATOM 840 CD1 ILE A 49 6.119 1.418 -5.043 1.00 0.00 C ATOM 0 H ILE A 49 8.233 2.116 -4.264 1.00 0.00 H new ATOM 0 HA ILE A 49 8.985 3.930 -6.310 1.00 0.00 H new ATOM 0 HB ILE A 49 7.965 2.461 -7.755 1.00 0.00 H new ATOM 0 HG12 ILE A 49 5.714 2.454 -6.890 1.00 0.00 H new ATOM 0 HG13 ILE A 49 6.257 0.802 -7.105 1.00 0.00 H new ATOM 0 HG21 ILE A 49 8.669 0.231 -6.995 1.00 0.00 H new ATOM 0 HG22 ILE A 49 9.877 1.481 -6.614 1.00 0.00 H new ATOM 0 HG23 ILE A 49 8.816 0.849 -5.333 1.00 0.00 H new ATOM 0 HD11 ILE A 49 5.092 1.067 -4.939 1.00 0.00 H new ATOM 0 HD12 ILE A 49 6.803 0.652 -4.678 1.00 0.00 H new ATOM 0 HD13 ILE A 49 6.252 2.330 -4.460 1.00 0.00 H new ATOM 852 N ASP A 50 6.440 4.659 -7.129 1.00 0.00 N ATOM 853 CA ASP A 50 5.352 5.600 -7.334 1.00 0.00 C ATOM 854 C ASP A 50 4.787 5.420 -8.744 1.00 0.00 C ATOM 855 O ASP A 50 3.572 5.432 -8.936 1.00 0.00 O ATOM 856 CB ASP A 50 5.840 7.044 -7.200 1.00 0.00 C ATOM 857 CG ASP A 50 4.800 8.032 -6.669 1.00 0.00 C ATOM 858 OD1 ASP A 50 3.767 7.633 -6.111 1.00 0.00 O ATOM 859 OD2 ASP A 50 5.088 9.277 -6.851 1.00 0.00 O ATOM 0 H ASP A 50 6.743 4.168 -7.970 1.00 0.00 H new ATOM 0 HA ASP A 50 4.591 5.406 -6.578 1.00 0.00 H new ATOM 0 HB2 ASP A 50 6.705 7.059 -6.537 1.00 0.00 H new ATOM 0 HB3 ASP A 50 6.181 7.388 -8.176 1.00 0.00 H new ATOM 865 N HIS A 51 5.695 5.258 -9.695 1.00 0.00 N ATOM 866 CA HIS A 51 5.303 5.076 -11.082 1.00 0.00 C ATOM 867 C HIS A 51 4.311 6.171 -11.482 1.00 0.00 C ATOM 868 O HIS A 51 3.107 5.929 -11.548 1.00 0.00 O ATOM 869 CB HIS A 51 4.753 3.666 -11.310 1.00 0.00 C ATOM 870 CG HIS A 51 5.112 3.078 -12.654 1.00 0.00 C ATOM 871 ND1 HIS A 51 6.398 3.105 -13.165 1.00 0.00 N ATOM 872 CD2 HIS A 51 4.341 2.447 -13.585 1.00 0.00 C ATOM 873 CE1 HIS A 51 6.389 2.515 -14.351 1.00 0.00 C ATOM 874 NE2 HIS A 51 5.113 2.108 -14.610 1.00 0.00 N ATOM 0 H HIS A 51 6.702 5.249 -9.532 1.00 0.00 H new ATOM 0 HA HIS A 51 6.177 5.171 -11.727 1.00 0.00 H new ATOM 0 HB2 HIS A 51 5.128 3.009 -10.525 1.00 0.00 H new ATOM 0 HB3 HIS A 51 3.668 3.690 -11.213 1.00 0.00 H new ATOM 0 HD2 HIS A 51 3.281 2.255 -13.502 1.00 0.00 H new ATOM 0 HE1 HIS A 51 7.242 2.380 -14.999 1.00 0.00 H new ATOM 0 HE2 HIS A 51 4.803 1.623 -15.452 1.00 0.00 H new ATOM 882 N ALA A 52 4.855 7.351 -11.740 1.00 0.00 N ATOM 883 CA ALA A 52 4.034 8.484 -12.132 1.00 0.00 C ATOM 884 C ALA A 52 3.394 8.197 -13.492 1.00 0.00 C ATOM 885 O ALA A 52 3.924 7.414 -14.279 1.00 0.00 O ATOM 886 CB ALA A 52 4.888 9.753 -12.146 1.00 0.00 C ATOM 0 H ALA A 52 5.854 7.547 -11.685 1.00 0.00 H new ATOM 0 HA ALA A 52 3.229 8.641 -11.415 1.00 0.00 H new ATOM 0 HB1 ALA A 52 4.272 10.603 -12.440 1.00 0.00 H new ATOM 0 HB2 ALA A 52 5.296 9.928 -11.151 1.00 0.00 H new ATOM 0 HB3 ALA A 52 5.705 9.634 -12.857 1.00 0.00 H new ATOM 892 N LYS A 53 2.263 8.847 -13.727 1.00 0.00 N ATOM 893 CA LYS A 53 1.545 8.672 -14.978 1.00 0.00 C ATOM 894 C LYS A 53 0.675 9.903 -15.239 1.00 0.00 C ATOM 895 O LYS A 53 -0.421 10.020 -14.694 1.00 0.00 O ATOM 896 CB LYS A 53 0.763 7.357 -14.967 1.00 0.00 C ATOM 897 CG LYS A 53 -0.535 7.498 -14.168 1.00 0.00 C ATOM 898 CD LYS A 53 -0.921 6.172 -13.511 1.00 0.00 C ATOM 899 CE LYS A 53 -2.146 5.558 -14.191 1.00 0.00 C ATOM 900 NZ LYS A 53 -2.943 4.778 -13.218 1.00 0.00 N ATOM 0 H LYS A 53 1.826 9.496 -13.072 1.00 0.00 H new ATOM 0 HA LYS A 53 2.244 8.594 -15.811 1.00 0.00 H new ATOM 0 HB2 LYS A 53 0.534 7.057 -15.990 1.00 0.00 H new ATOM 0 HB3 LYS A 53 1.377 6.568 -14.533 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -0.414 8.265 -13.403 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -1.338 7.829 -14.827 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -0.083 5.477 -13.567 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -1.131 6.334 -12.454 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -2.761 6.346 -14.625 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -1.829 4.913 -15.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -3.771 4.368 -13.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -2.358 4.014 -12.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -3.261 5.403 -12.450 1.00 0.00 H new ATOM 913 N VAL A 54 1.197 10.791 -16.072 1.00 0.00 N ATOM 914 CA VAL A 54 0.482 12.009 -16.411 1.00 0.00 C ATOM 915 C VAL A 54 0.356 12.115 -17.933 1.00 0.00 C ATOM 916 O VAL A 54 1.043 12.917 -18.562 1.00 0.00 O ATOM 917 CB VAL A 54 1.180 13.218 -15.785 1.00 0.00 C ATOM 918 CG1 VAL A 54 0.303 14.468 -15.881 1.00 0.00 C ATOM 919 CG2 VAL A 54 1.572 12.933 -14.334 1.00 0.00 C ATOM 0 H VAL A 54 2.107 10.691 -16.522 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.528 11.985 -16.001 1.00 0.00 H new ATOM 0 HB VAL A 54 2.094 13.407 -16.348 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.823 15.313 -15.429 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.096 14.688 -16.928 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -0.636 14.295 -15.354 1.00 0.00 H new ATOM 0 HG21 VAL A 54 2.066 13.808 -13.912 1.00 0.00 H new ATOM 0 HG22 VAL A 54 0.678 12.706 -13.753 1.00 0.00 H new ATOM 0 HG23 VAL A 54 2.252 12.081 -14.301 1.00 0.00 H new ATOM 929 N ARG A 55 -0.528 11.293 -18.479 1.00 0.00 N ATOM 930 CA ARG A 55 -0.754 11.283 -19.914 1.00 0.00 C ATOM 931 C ARG A 55 -2.124 10.682 -20.232 1.00 0.00 C ATOM 932 O ARG A 55 -2.390 9.526 -19.906 1.00 0.00 O ATOM 933 CB ARG A 55 0.329 10.478 -20.636 1.00 0.00 C ATOM 934 CG ARG A 55 0.572 9.138 -19.939 1.00 0.00 C ATOM 935 CD ARG A 55 1.930 9.125 -19.235 1.00 0.00 C ATOM 936 NE ARG A 55 2.482 7.752 -19.224 1.00 0.00 N ATOM 937 CZ ARG A 55 3.797 7.466 -19.119 1.00 0.00 C ATOM 938 NH1 ARG A 55 4.708 8.457 -19.013 1.00 0.00 N ATOM 939 NH2 ARG A 55 4.180 6.203 -19.120 1.00 0.00 N ATOM 0 H ARG A 55 -1.096 10.629 -17.953 1.00 0.00 H new ATOM 0 HA ARG A 55 -0.717 12.315 -20.263 1.00 0.00 H new ATOM 0 HB2 ARG A 55 0.030 10.305 -21.670 1.00 0.00 H new ATOM 0 HB3 ARG A 55 1.256 11.051 -20.663 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -0.220 8.953 -19.213 1.00 0.00 H new ATOM 0 HG3 ARG A 55 0.530 8.331 -20.670 1.00 0.00 H new ATOM 0 HD2 ARG A 55 2.619 9.799 -19.744 1.00 0.00 H new ATOM 0 HD3 ARG A 55 1.823 9.491 -18.214 1.00 0.00 H new ATOM 0 HE ARG A 55 1.828 6.973 -19.301 1.00 0.00 H new ATOM 0 HH11 ARG A 55 4.404 9.431 -19.012 1.00 0.00 H new ATOM 0 HH12 ARG A 55 5.700 8.232 -18.934 1.00 0.00 H new ATOM 0 HH21 ARG A 55 3.486 5.460 -19.199 1.00 0.00 H new ATOM 0 HH22 ARG A 55 5.170 5.970 -19.041 1.00 0.00 H new ATOM 952 N LYS A 56 -2.958 11.494 -20.866 1.00 0.00 N ATOM 953 CA LYS A 56 -4.295 11.056 -21.232 1.00 0.00 C ATOM 954 C LYS A 56 -4.373 10.884 -22.750 1.00 0.00 C ATOM 955 O LYS A 56 -3.485 11.329 -23.475 1.00 0.00 O ATOM 956 CB LYS A 56 -5.346 12.014 -20.666 1.00 0.00 C ATOM 957 CG LYS A 56 -5.294 13.367 -21.380 1.00 0.00 C ATOM 958 CD LYS A 56 -6.568 14.173 -21.119 1.00 0.00 C ATOM 959 CE LYS A 56 -7.045 14.873 -22.393 1.00 0.00 C ATOM 960 NZ LYS A 56 -6.307 16.140 -22.595 1.00 0.00 N ATOM 0 H LYS A 56 -2.734 12.452 -21.135 1.00 0.00 H new ATOM 0 HA LYS A 56 -4.512 10.084 -20.790 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -6.339 11.578 -20.777 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -5.178 12.155 -19.598 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -4.426 13.930 -21.037 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -5.170 13.212 -22.452 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -7.351 13.512 -20.748 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -6.381 14.913 -20.341 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -6.897 14.218 -23.252 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -8.114 15.075 -22.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -6.643 16.603 -23.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -6.469 16.769 -21.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -5.290 15.940 -22.680 1.00 0.00 H new ATOM 973 N HIS A 57 -5.444 10.237 -23.186 1.00 0.00 N ATOM 974 CA HIS A 57 -5.649 10.001 -24.605 1.00 0.00 C ATOM 975 C HIS A 57 -7.149 9.973 -24.908 1.00 0.00 C ATOM 976 O HIS A 57 -7.722 8.907 -25.127 1.00 0.00 O ATOM 977 CB HIS A 57 -4.930 8.727 -25.053 1.00 0.00 C ATOM 978 CG HIS A 57 -5.462 7.465 -24.416 1.00 0.00 C ATOM 979 ND1 HIS A 57 -6.403 7.285 -23.446 1.00 0.00 N flip ATOM 980 CD2 HIS A 57 -5.017 6.203 -24.769 1.00 0.00 C flip ATOM 981 CE1 HIS A 57 -6.528 5.983 -23.219 1.00 0.00 C flip ATOM 982 NE2 HIS A 57 -5.669 5.311 -24.038 1.00 0.00 N flip ATOM 0 H HIS A 57 -6.179 9.869 -22.582 1.00 0.00 H new ATOM 0 HA HIS A 57 -5.212 10.817 -25.181 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -5.012 8.637 -26.136 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -3.869 8.820 -24.820 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -4.266 5.983 -25.513 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -7.199 5.531 -22.504 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -5.550 4.299 -24.080 1.00 0.00 H new ATOM 990 N GLN A 58 -7.741 11.159 -24.912 1.00 0.00 N ATOM 991 CA GLN A 58 -9.163 11.284 -25.185 1.00 0.00 C ATOM 992 C GLN A 58 -9.509 12.730 -25.545 1.00 0.00 C ATOM 993 O GLN A 58 -8.926 13.666 -24.999 1.00 0.00 O ATOM 994 CB GLN A 58 -9.994 10.801 -23.995 1.00 0.00 C ATOM 995 CG GLN A 58 -9.780 11.700 -22.776 1.00 0.00 C ATOM 996 CD GLN A 58 -10.324 11.041 -21.506 1.00 0.00 C ATOM 997 OE1 GLN A 58 -11.519 10.874 -21.326 1.00 0.00 O ATOM 998 NE2 GLN A 58 -9.383 10.679 -20.639 1.00 0.00 N ATOM 0 H GLN A 58 -7.262 12.041 -24.731 1.00 0.00 H new ATOM 0 HA GLN A 58 -9.407 10.650 -26.037 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -11.050 10.792 -24.264 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -9.720 9.775 -23.748 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -8.717 11.908 -22.655 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -10.276 12.658 -22.934 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -8.400 10.848 -20.853 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -9.644 10.232 -19.760 1.00 0.00 H new ATOM 1007 N ARG A 59 -10.455 12.868 -26.462 1.00 0.00 N ATOM 1008 CA ARG A 59 -10.886 14.184 -26.901 1.00 0.00 C ATOM 1009 C ARG A 59 -12.398 14.334 -26.726 1.00 0.00 C ATOM 1010 O ARG A 59 -13.152 13.395 -26.976 1.00 0.00 O ATOM 1011 CB ARG A 59 -10.523 14.420 -28.369 1.00 0.00 C ATOM 1012 CG ARG A 59 -9.294 15.322 -28.492 1.00 0.00 C ATOM 1013 CD ARG A 59 -8.217 14.666 -29.359 1.00 0.00 C ATOM 1014 NE ARG A 59 -6.883 15.191 -28.992 1.00 0.00 N ATOM 1015 CZ ARG A 59 -5.780 15.057 -29.759 1.00 0.00 C ATOM 1016 NH1 ARG A 59 -5.843 14.413 -30.944 1.00 0.00 N ATOM 1017 NH2 ARG A 59 -4.639 15.566 -29.333 1.00 0.00 N ATOM 0 H ARG A 59 -10.935 12.090 -26.913 1.00 0.00 H new ATOM 0 HA ARG A 59 -10.372 14.923 -26.287 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -10.328 13.465 -28.857 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -11.367 14.876 -28.887 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -9.583 16.279 -28.927 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -8.891 15.531 -27.501 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -8.240 13.584 -29.226 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -8.417 14.862 -30.412 1.00 0.00 H new ATOM 0 HE ARG A 59 -6.791 15.685 -28.104 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -6.729 14.023 -31.266 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -5.005 14.316 -31.517 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -4.600 16.052 -28.437 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -3.796 15.474 -29.900 1.00 0.00 H new ATOM 1030 N LYS A 60 -12.797 15.523 -26.297 1.00 0.00 N ATOM 1031 CA LYS A 60 -14.206 15.807 -26.085 1.00 0.00 C ATOM 1032 C LYS A 60 -14.950 15.698 -27.418 1.00 0.00 C ATOM 1033 O LYS A 60 -14.833 16.576 -28.272 1.00 0.00 O ATOM 1034 CB LYS A 60 -14.380 17.160 -25.393 1.00 0.00 C ATOM 1035 CG LYS A 60 -14.772 16.979 -23.925 1.00 0.00 C ATOM 1036 CD LYS A 60 -13.579 16.505 -23.094 1.00 0.00 C ATOM 1037 CE LYS A 60 -13.218 17.530 -22.017 1.00 0.00 C ATOM 1038 NZ LYS A 60 -11.753 17.726 -21.957 1.00 0.00 N ATOM 0 H LYS A 60 -12.169 16.300 -26.091 1.00 0.00 H new ATOM 0 HA LYS A 60 -14.647 15.071 -25.413 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -13.452 17.728 -25.458 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -15.145 17.740 -25.909 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -15.146 17.922 -23.526 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -15.584 16.256 -23.848 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -13.814 15.549 -22.627 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -12.721 16.339 -23.745 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -13.709 18.479 -22.231 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -13.585 17.192 -21.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -11.526 18.425 -21.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -11.291 16.822 -21.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -11.411 18.069 -22.877 1.00 0.00 H new ATOM 1051 N PHE A 61 -15.698 14.613 -27.554 1.00 0.00 N ATOM 1052 CA PHE A 61 -16.461 14.378 -28.768 1.00 0.00 C ATOM 1053 C PHE A 61 -17.871 13.880 -28.442 1.00 0.00 C ATOM 1054 O PHE A 61 -18.044 13.006 -27.595 1.00 0.00 O ATOM 1055 CB PHE A 61 -15.722 13.296 -29.558 1.00 0.00 C ATOM 1056 CG PHE A 61 -16.031 11.870 -29.100 1.00 0.00 C ATOM 1057 CD1 PHE A 61 -15.549 11.417 -27.912 1.00 0.00 C ATOM 1058 CD2 PHE A 61 -16.788 11.054 -29.882 1.00 0.00 C ATOM 1059 CE1 PHE A 61 -15.836 10.093 -27.487 1.00 0.00 C ATOM 1060 CE2 PHE A 61 -17.076 9.730 -29.457 1.00 0.00 C ATOM 1061 CZ PHE A 61 -16.593 9.277 -28.268 1.00 0.00 C ATOM 0 H PHE A 61 -15.792 13.887 -26.844 1.00 0.00 H new ATOM 0 HA PHE A 61 -16.553 15.305 -29.334 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -15.979 13.391 -30.613 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -14.649 13.469 -29.475 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -14.948 12.065 -27.291 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -17.170 11.413 -30.826 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -15.453 9.734 -26.543 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -17.678 9.083 -30.077 1.00 0.00 H new ATOM 0 HZ PHE A 61 -16.811 8.270 -27.945 1.00 0.00 H new ATOM 1071 N LEU A 62 -18.842 14.460 -29.132 1.00 0.00 N ATOM 1072 CA LEU A 62 -20.231 14.086 -28.926 1.00 0.00 C ATOM 1073 C LEU A 62 -20.936 13.994 -30.281 1.00 0.00 C ATOM 1074 O LEU A 62 -20.407 14.452 -31.293 1.00 0.00 O ATOM 1075 CB LEU A 62 -20.905 15.048 -27.946 1.00 0.00 C ATOM 1076 CG LEU A 62 -21.497 16.321 -28.555 1.00 0.00 C ATOM 1077 CD1 LEU A 62 -23.001 16.409 -28.287 1.00 0.00 C ATOM 1078 CD2 LEU A 62 -20.753 17.563 -28.061 1.00 0.00 C ATOM 0 H LEU A 62 -18.695 15.186 -29.834 1.00 0.00 H new ATOM 0 HA LEU A 62 -20.296 13.101 -28.465 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -21.702 14.511 -27.431 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -20.174 15.336 -27.190 1.00 0.00 H new ATOM 0 HG LEU A 62 -21.365 16.276 -29.636 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -23.397 17.323 -28.730 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -23.500 15.546 -28.728 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -23.179 16.421 -27.212 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -21.194 18.453 -28.509 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -20.831 17.626 -26.976 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -19.703 17.495 -28.346 1.00 0.00 H new ATOM 1090 N GLN A 63 -22.120 13.400 -30.257 1.00 0.00 N ATOM 1091 CA GLN A 63 -22.903 13.243 -31.471 1.00 0.00 C ATOM 1092 C GLN A 63 -24.333 13.741 -31.249 1.00 0.00 C ATOM 1093 O GLN A 63 -25.141 13.059 -30.621 1.00 0.00 O ATOM 1094 CB GLN A 63 -22.897 11.787 -31.943 1.00 0.00 C ATOM 1095 CG GLN A 63 -21.754 11.536 -32.929 1.00 0.00 C ATOM 1096 CD GLN A 63 -22.207 11.790 -34.368 1.00 0.00 C ATOM 1097 OE1 GLN A 63 -22.676 10.904 -35.064 1.00 0.00 O ATOM 1098 NE2 GLN A 63 -22.041 13.045 -34.775 1.00 0.00 N ATOM 0 H GLN A 63 -22.556 13.022 -29.416 1.00 0.00 H new ATOM 0 HA GLN A 63 -22.446 13.847 -32.255 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -22.794 11.123 -31.085 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -23.850 11.550 -32.417 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -20.912 12.185 -32.689 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -21.402 10.509 -32.830 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -21.642 13.738 -34.142 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -22.312 13.315 -35.721 1.00 0.00 H new ATOM 1107 N ALA A 64 -24.601 14.926 -31.777 1.00 0.00 N ATOM 1108 CA ALA A 64 -25.919 15.523 -31.644 1.00 0.00 C ATOM 1109 C ALA A 64 -25.935 16.877 -32.357 1.00 0.00 C ATOM 1110 O ALA A 64 -25.545 17.891 -31.780 1.00 0.00 O ATOM 1111 CB ALA A 64 -26.280 15.640 -30.162 1.00 0.00 C ATOM 0 H ALA A 64 -23.928 15.489 -32.298 1.00 0.00 H new ATOM 0 HA ALA A 64 -26.674 14.894 -32.114 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -27.269 16.088 -30.063 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -26.284 14.649 -29.709 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -25.545 16.267 -29.657 1.00 0.00 H new ATOM 1117 N ILE A 65 -26.390 16.849 -33.601 1.00 0.00 N ATOM 1118 CA ILE A 65 -26.462 18.062 -34.398 1.00 0.00 C ATOM 1119 C ILE A 65 -27.909 18.557 -34.436 1.00 0.00 C ATOM 1120 O ILE A 65 -28.435 19.027 -33.429 1.00 0.00 O ATOM 1121 CB ILE A 65 -25.855 17.829 -35.783 1.00 0.00 C ATOM 1122 CG1 ILE A 65 -24.407 17.346 -35.673 1.00 0.00 C ATOM 1123 CG2 ILE A 65 -25.977 19.082 -36.653 1.00 0.00 C ATOM 1124 CD1 ILE A 65 -24.064 16.378 -36.807 1.00 0.00 C ATOM 0 H ILE A 65 -26.712 16.006 -34.076 1.00 0.00 H new ATOM 0 HA ILE A 65 -25.866 18.853 -33.943 1.00 0.00 H new ATOM 0 HB ILE A 65 -26.421 17.039 -36.276 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -23.731 18.201 -35.703 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -24.256 16.854 -34.712 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -25.538 18.889 -37.632 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -27.029 19.341 -36.772 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -25.451 19.909 -36.176 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -23.029 16.050 -36.705 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -24.725 15.513 -36.759 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -24.193 16.880 -37.766 1.00 0.00 H new ATOM 1136 N HIS A 66 -28.512 18.435 -35.610 1.00 0.00 N ATOM 1137 CA HIS A 66 -29.888 18.864 -35.793 1.00 0.00 C ATOM 1138 C HIS A 66 -30.680 17.762 -36.500 1.00 0.00 C ATOM 1139 O HIS A 66 -31.356 18.020 -37.495 1.00 0.00 O ATOM 1140 CB HIS A 66 -29.946 20.203 -36.531 1.00 0.00 C ATOM 1141 CG HIS A 66 -29.725 20.093 -38.020 1.00 0.00 C ATOM 1142 ND1 HIS A 66 -28.991 19.204 -38.749 1.00 0.00 N flip ATOM 1143 CD2 HIS A 66 -30.294 20.968 -38.929 1.00 0.00 C flip ATOM 1144 CE1 HIS A 66 -29.107 19.518 -40.034 1.00 0.00 C flip ATOM 1145 NE2 HIS A 66 -29.914 20.612 -40.147 1.00 0.00 N flip ATOM 0 H HIS A 66 -28.072 18.045 -36.444 1.00 0.00 H new ATOM 0 HA HIS A 66 -30.353 19.031 -34.821 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -30.917 20.664 -36.351 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -29.194 20.871 -36.111 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -30.939 21.800 -38.686 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -28.640 18.994 -40.854 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -30.178 21.075 -41.017 1.00 0.00 H new ATOM 1153 N GLN A 67 -30.569 16.558 -35.959 1.00 0.00 N ATOM 1154 CA GLN A 67 -31.266 15.416 -36.526 1.00 0.00 C ATOM 1155 C GLN A 67 -32.765 15.510 -36.234 1.00 0.00 C ATOM 1156 O GLN A 67 -33.332 14.630 -35.587 1.00 0.00 O ATOM 1157 CB GLN A 67 -30.686 14.102 -35.998 1.00 0.00 C ATOM 1158 CG GLN A 67 -30.979 13.934 -34.506 1.00 0.00 C ATOM 1159 CD GLN A 67 -29.683 13.895 -33.694 1.00 0.00 C ATOM 1160 OE1 GLN A 67 -28.995 12.890 -33.622 1.00 0.00 O ATOM 1161 NE2 GLN A 67 -29.389 15.042 -33.088 1.00 0.00 N ATOM 0 H GLN A 67 -30.007 16.348 -35.134 1.00 0.00 H new ATOM 0 HA GLN A 67 -31.125 15.429 -37.607 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -31.110 13.265 -36.552 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -29.609 14.082 -36.165 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -31.605 14.757 -34.160 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -31.542 13.015 -34.343 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -30.008 15.846 -33.190 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -28.544 15.118 -32.522 1.00 0.00 H new ATOM 1170 N LEU A 68 -33.364 16.585 -36.724 1.00 0.00 N ATOM 1171 CA LEU A 68 -34.787 16.806 -36.524 1.00 0.00 C ATOM 1172 C LEU A 68 -35.574 15.694 -37.221 1.00 0.00 C ATOM 1173 O LEU A 68 -34.995 14.860 -37.914 1.00 0.00 O ATOM 1174 CB LEU A 68 -35.179 18.214 -36.976 1.00 0.00 C ATOM 1175 CG LEU A 68 -34.677 19.364 -36.101 1.00 0.00 C ATOM 1176 CD1 LEU A 68 -34.505 20.643 -36.922 1.00 0.00 C ATOM 1177 CD2 LEU A 68 -35.594 19.575 -34.895 1.00 0.00 C ATOM 0 H LEU A 68 -32.890 17.313 -37.259 1.00 0.00 H new ATOM 0 HA LEU A 68 -35.035 16.756 -35.464 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -34.807 18.366 -37.989 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -36.267 18.269 -37.025 1.00 0.00 H new ATOM 0 HG LEU A 68 -33.694 19.096 -35.715 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -34.147 21.445 -36.276 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -33.782 20.469 -37.719 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -35.463 20.928 -37.357 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -35.215 20.398 -34.289 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -36.600 19.812 -35.240 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -35.621 18.665 -34.295 1.00 0.00 H new ATOM 1189 N ARG A 69 -36.882 15.719 -37.012 1.00 0.00 N ATOM 1190 CA ARG A 69 -37.755 14.724 -37.611 1.00 0.00 C ATOM 1191 C ARG A 69 -38.620 15.363 -38.699 1.00 0.00 C ATOM 1192 O ARG A 69 -38.741 16.585 -38.763 1.00 0.00 O ATOM 1193 CB ARG A 69 -38.662 14.082 -36.559 1.00 0.00 C ATOM 1194 CG ARG A 69 -37.927 12.972 -35.805 1.00 0.00 C ATOM 1195 CD ARG A 69 -38.237 13.029 -34.308 1.00 0.00 C ATOM 1196 NE ARG A 69 -37.532 14.173 -33.688 1.00 0.00 N ATOM 1197 CZ ARG A 69 -38.108 15.366 -33.429 1.00 0.00 C ATOM 1198 NH1 ARG A 69 -39.405 15.582 -33.736 1.00 0.00 N ATOM 1199 NH2 ARG A 69 -37.384 16.319 -32.872 1.00 0.00 N ATOM 0 H ARG A 69 -37.358 16.413 -36.436 1.00 0.00 H new ATOM 0 HA ARG A 69 -37.124 13.951 -38.051 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -39.002 14.841 -35.855 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -39.550 13.673 -37.040 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -38.220 12.001 -36.204 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -36.853 13.070 -35.962 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -39.312 13.127 -34.154 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -37.930 12.099 -33.829 1.00 0.00 H new ATOM 0 HE ARG A 69 -36.550 14.053 -33.441 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -39.957 14.841 -34.167 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -39.832 16.486 -33.537 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -36.405 16.148 -32.644 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -37.804 17.226 -32.670 1.00 0.00 H new ATOM 1212 N SER A 70 -39.200 14.507 -39.528 1.00 0.00 N ATOM 1213 CA SER A 70 -40.050 14.973 -40.610 1.00 0.00 C ATOM 1214 C SER A 70 -41.235 14.022 -40.791 1.00 0.00 C ATOM 1215 O SER A 70 -41.215 13.158 -41.666 1.00 0.00 O ATOM 1216 CB SER A 70 -39.263 15.094 -41.917 1.00 0.00 C ATOM 1217 OG SER A 70 -39.476 16.350 -42.554 1.00 0.00 O ATOM 0 H SER A 70 -39.098 13.494 -39.472 1.00 0.00 H new ATOM 0 HA SER A 70 -40.423 15.963 -40.349 1.00 0.00 H new ATOM 0 HB2 SER A 70 -38.200 14.967 -41.713 1.00 0.00 H new ATOM 0 HB3 SER A 70 -39.556 14.291 -42.593 1.00 0.00 H new ATOM 0 HG SER A 70 -38.955 16.389 -43.383 1.00 0.00 H new ATOM 1223 N VAL A 71 -42.240 14.213 -39.949 1.00 0.00 N ATOM 1224 CA VAL A 71 -43.431 13.384 -40.004 1.00 0.00 C ATOM 1225 C VAL A 71 -44.220 13.716 -41.273 1.00 0.00 C ATOM 1226 O VAL A 71 -45.363 14.164 -41.197 1.00 0.00 O ATOM 1227 CB VAL A 71 -44.253 13.561 -38.726 1.00 0.00 C ATOM 1228 CG1 VAL A 71 -43.514 12.985 -37.516 1.00 0.00 C ATOM 1229 CG2 VAL A 71 -44.608 15.032 -38.502 1.00 0.00 C ATOM 0 H VAL A 71 -42.253 14.931 -39.224 1.00 0.00 H new ATOM 0 HA VAL A 71 -43.160 12.330 -40.056 1.00 0.00 H new ATOM 0 HB VAL A 71 -45.184 13.007 -38.846 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -44.119 13.123 -36.620 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -43.334 11.921 -37.672 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -42.561 13.500 -37.393 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -45.192 15.130 -37.587 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -43.693 15.618 -38.413 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -45.192 15.398 -39.346 1.00 0.00 H new ATOM 1239 N LYS A 72 -43.578 13.483 -42.408 1.00 0.00 N ATOM 1240 CA LYS A 72 -44.206 13.752 -43.691 1.00 0.00 C ATOM 1241 C LYS A 72 -44.944 15.091 -43.622 1.00 0.00 C ATOM 1242 O LYS A 72 -46.038 15.229 -44.166 1.00 0.00 O ATOM 1243 CB LYS A 72 -45.096 12.580 -44.108 1.00 0.00 C ATOM 1244 CG LYS A 72 -44.267 11.461 -44.742 1.00 0.00 C ATOM 1245 CD LYS A 72 -44.120 11.673 -46.250 1.00 0.00 C ATOM 1246 CE LYS A 72 -44.078 10.335 -46.990 1.00 0.00 C ATOM 1247 NZ LYS A 72 -43.465 10.501 -48.327 1.00 0.00 N ATOM 0 H LYS A 72 -42.630 13.111 -42.466 1.00 0.00 H new ATOM 0 HA LYS A 72 -43.452 13.843 -44.473 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -45.628 12.195 -43.238 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -45.850 12.925 -44.816 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -43.281 11.427 -44.278 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -44.742 10.499 -44.551 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -44.953 12.271 -46.620 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -43.209 12.235 -46.455 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -43.508 9.609 -46.410 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -45.088 9.938 -47.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -43.444 9.583 -48.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -44.025 11.177 -48.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -42.494 10.859 -48.222 1.00 0.00 H new ATOM 1260 N MET A 73 -44.316 16.043 -42.948 1.00 0.00 N ATOM 1261 CA MET A 73 -44.899 17.365 -42.801 1.00 0.00 C ATOM 1262 C MET A 73 -46.167 17.313 -41.946 1.00 0.00 C ATOM 1263 O MET A 73 -46.185 17.817 -40.824 1.00 0.00 O ATOM 1264 CB MET A 73 -45.237 17.931 -44.181 1.00 0.00 C ATOM 1265 CG MET A 73 -44.034 17.838 -45.121 1.00 0.00 C ATOM 1266 SD MET A 73 -44.276 18.907 -46.530 1.00 0.00 S ATOM 1267 CE MET A 73 -44.336 20.492 -45.710 1.00 0.00 C ATOM 0 H MET A 73 -43.409 15.925 -42.497 1.00 0.00 H new ATOM 0 HA MET A 73 -44.173 18.008 -42.303 1.00 0.00 H new ATOM 0 HB2 MET A 73 -46.078 17.384 -44.606 1.00 0.00 H new ATOM 0 HB3 MET A 73 -45.549 18.971 -44.085 1.00 0.00 H new ATOM 0 HG2 MET A 73 -43.125 18.122 -44.591 1.00 0.00 H new ATOM 0 HG3 MET A 73 -43.901 16.809 -45.454 1.00 0.00 H new ATOM 0 HE1 MET A 73 -43.907 21.255 -46.360 1.00 0.00 H new ATOM 0 HE2 MET A 73 -45.372 20.747 -45.486 1.00 0.00 H new ATOM 0 HE3 MET A 73 -43.765 20.444 -44.783 1.00 0.00 H new ATOM 1277 N GLU A 74 -47.197 16.698 -42.509 1.00 0.00 N ATOM 1278 CA GLU A 74 -48.466 16.574 -41.812 1.00 0.00 C ATOM 1279 C GLU A 74 -48.782 17.862 -41.050 1.00 0.00 C ATOM 1280 O GLU A 74 -48.600 17.929 -39.835 1.00 0.00 O ATOM 1281 CB GLU A 74 -48.459 15.367 -40.871 1.00 0.00 C ATOM 1282 CG GLU A 74 -49.818 14.664 -40.870 1.00 0.00 C ATOM 1283 CD GLU A 74 -50.045 13.912 -39.557 1.00 0.00 C ATOM 1284 OE1 GLU A 74 -50.686 14.446 -38.640 1.00 0.00 O ATOM 1285 OE2 GLU A 74 -49.529 12.731 -39.509 1.00 0.00 O ATOM 0 H GLU A 74 -47.179 16.280 -43.439 1.00 0.00 H new ATOM 0 HA GLU A 74 -49.250 16.412 -42.552 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -47.683 14.666 -41.179 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -48.213 15.691 -39.860 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -50.611 15.398 -41.015 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -49.872 13.967 -41.706 1.00 0.00 H new ATOM 1293 N GLN A 75 -49.250 18.853 -41.794 1.00 0.00 N ATOM 1294 CA GLN A 75 -49.593 20.135 -41.204 1.00 0.00 C ATOM 1295 C GLN A 75 -50.928 20.635 -41.759 1.00 0.00 C ATOM 1296 O GLN A 75 -50.974 21.644 -42.460 1.00 0.00 O ATOM 1297 CB GLN A 75 -48.483 21.162 -41.439 1.00 0.00 C ATOM 1298 CG GLN A 75 -47.668 21.391 -40.164 1.00 0.00 C ATOM 1299 CD GLN A 75 -46.688 22.552 -40.341 1.00 0.00 C ATOM 1300 OE1 GLN A 75 -45.959 22.640 -41.314 1.00 0.00 O ATOM 1301 NE2 GLN A 75 -46.713 23.436 -39.347 1.00 0.00 N ATOM 0 H GLN A 75 -49.400 18.794 -42.801 1.00 0.00 H new ATOM 0 HA GLN A 75 -49.697 20.001 -40.127 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -47.826 20.817 -42.237 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -48.919 22.104 -41.770 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -48.340 21.601 -39.332 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -47.120 20.483 -39.910 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -47.349 23.302 -38.561 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -46.096 24.248 -39.371 1.00 0.00 H new ATOM 1310 N ARG A 76 -51.982 19.906 -41.423 1.00 0.00 N ATOM 1311 CA ARG A 76 -53.315 20.262 -41.879 1.00 0.00 C ATOM 1312 C ARG A 76 -53.265 20.763 -43.324 1.00 0.00 C ATOM 1313 O ARG A 76 -53.084 21.956 -43.566 1.00 0.00 O ATOM 1314 CB ARG A 76 -53.929 21.347 -40.992 1.00 0.00 C ATOM 1315 CG ARG A 76 -54.273 20.793 -39.608 1.00 0.00 C ATOM 1316 CD ARG A 76 -55.300 21.680 -38.901 1.00 0.00 C ATOM 1317 NE ARG A 76 -56.660 21.127 -39.086 1.00 0.00 N ATOM 1318 CZ ARG A 76 -57.171 20.116 -38.352 1.00 0.00 C ATOM 1319 NH1 ARG A 76 -56.438 19.538 -37.376 1.00 0.00 N ATOM 1320 NH2 ARG A 76 -58.399 19.700 -38.603 1.00 0.00 N ATOM 0 H ARG A 76 -51.940 19.070 -40.840 1.00 0.00 H new ATOM 0 HA ARG A 76 -53.935 19.367 -41.822 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -53.231 22.178 -40.892 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -54.829 21.742 -41.464 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -54.667 19.781 -39.705 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -53.368 20.726 -39.004 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -55.066 21.745 -37.838 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -55.253 22.693 -39.300 1.00 0.00 H new ATOM 0 HE ARG A 76 -57.248 21.535 -39.813 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -55.490 19.865 -37.189 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -56.832 18.775 -36.826 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -58.946 20.142 -39.342 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -58.800 18.937 -38.058 1.00 0.00 H new ATOM 1333 N LYS A 77 -53.430 19.827 -44.247 1.00 0.00 N ATOM 1334 CA LYS A 77 -53.406 20.159 -45.662 1.00 0.00 C ATOM 1335 C LYS A 77 -54.678 20.929 -46.022 1.00 0.00 C ATOM 1336 O LYS A 77 -55.557 21.110 -45.181 1.00 0.00 O ATOM 1337 CB LYS A 77 -53.190 18.900 -46.504 1.00 0.00 C ATOM 1338 CG LYS A 77 -52.057 19.102 -47.512 1.00 0.00 C ATOM 1339 CD LYS A 77 -51.311 17.791 -47.768 1.00 0.00 C ATOM 1340 CE LYS A 77 -49.932 17.806 -47.105 1.00 0.00 C ATOM 1341 NZ LYS A 77 -48.982 18.614 -47.902 1.00 0.00 N ATOM 0 H LYS A 77 -53.581 18.839 -44.043 1.00 0.00 H new ATOM 0 HA LYS A 77 -52.563 20.813 -45.886 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -52.956 18.058 -45.852 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -54.110 18.649 -47.031 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -52.463 19.483 -48.449 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -51.362 19.853 -47.137 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -51.895 16.955 -47.382 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -51.201 17.635 -48.841 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -50.011 18.215 -46.098 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -49.558 16.787 -47.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -48.051 18.613 -47.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -48.894 18.207 -48.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -49.332 19.591 -47.974 1.00 0.00 H new ATOM 1354 N LEU A 78 -54.736 21.361 -47.273 1.00 0.00 N ATOM 1355 CA LEU A 78 -55.885 22.107 -47.755 1.00 0.00 C ATOM 1356 C LEU A 78 -56.662 21.249 -48.755 1.00 0.00 C ATOM 1357 O LEU A 78 -56.139 20.261 -49.269 1.00 0.00 O ATOM 1358 CB LEU A 78 -55.448 23.462 -48.317 1.00 0.00 C ATOM 1359 CG LEU A 78 -55.006 23.469 -49.781 1.00 0.00 C ATOM 1360 CD1 LEU A 78 -55.714 24.578 -50.562 1.00 0.00 C ATOM 1361 CD2 LEU A 78 -53.483 23.572 -49.893 1.00 0.00 C ATOM 0 H LEU A 78 -54.005 21.208 -47.968 1.00 0.00 H new ATOM 0 HA LEU A 78 -56.564 22.333 -46.933 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -56.275 24.164 -48.204 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -54.626 23.838 -47.708 1.00 0.00 H new ATOM 0 HG LEU A 78 -55.299 22.520 -50.231 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -55.382 24.561 -51.600 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -56.792 24.419 -50.523 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -55.474 25.545 -50.120 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -53.195 23.575 -50.944 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -53.145 24.495 -49.421 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -53.023 22.720 -49.393 1.00 0.00 H new ATOM 1373 N ASN A 79 -57.899 21.657 -49.002 1.00 0.00 N ATOM 1374 CA ASN A 79 -58.753 20.937 -49.931 1.00 0.00 C ATOM 1375 C ASN A 79 -60.032 21.742 -50.168 1.00 0.00 C ATOM 1376 O ASN A 79 -60.529 21.808 -51.292 1.00 0.00 O ATOM 1377 CB ASN A 79 -59.151 19.571 -49.369 1.00 0.00 C ATOM 1378 CG ASN A 79 -58.984 18.475 -50.423 1.00 0.00 C ATOM 1379 OD1 ASN A 79 -58.519 18.705 -51.527 1.00 0.00 O ATOM 1380 ND2 ASN A 79 -59.389 17.273 -50.022 1.00 0.00 N ATOM 0 H ASN A 79 -58.330 22.477 -48.575 1.00 0.00 H new ATOM 0 HA ASN A 79 -58.199 20.797 -50.859 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -58.538 19.339 -48.498 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -60.187 19.601 -49.031 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -59.319 16.475 -50.653 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -59.769 17.150 -49.083 1.00 0.00 H new ATOM 1387 N ASP A 80 -60.530 22.333 -49.092 1.00 0.00 N ATOM 1388 CA ASP A 80 -61.742 23.130 -49.169 1.00 0.00 C ATOM 1389 C ASP A 80 -61.448 24.426 -49.928 1.00 0.00 C ATOM 1390 O ASP A 80 -61.079 25.432 -49.325 1.00 0.00 O ATOM 1391 CB ASP A 80 -62.245 23.504 -47.773 1.00 0.00 C ATOM 1392 CG ASP A 80 -61.153 23.880 -46.771 1.00 0.00 C ATOM 1393 OD1 ASP A 80 -60.483 24.914 -46.915 1.00 0.00 O ATOM 1394 OD2 ASP A 80 -60.998 23.050 -45.796 1.00 0.00 O ATOM 0 H ASP A 80 -60.116 22.276 -48.162 1.00 0.00 H new ATOM 0 HA ASP A 80 -62.502 22.539 -49.680 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -62.937 24.342 -47.865 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -62.812 22.665 -47.371 1.00 0.00 H new ATOM 1400 N GLN A 81 -61.622 24.358 -51.240 1.00 0.00 N ATOM 1401 CA GLN A 81 -61.380 25.513 -52.087 1.00 0.00 C ATOM 1402 C GLN A 81 -61.890 25.248 -53.505 1.00 0.00 C ATOM 1403 O GLN A 81 -61.344 24.407 -54.218 1.00 0.00 O ATOM 1404 CB GLN A 81 -59.895 25.883 -52.099 1.00 0.00 C ATOM 1405 CG GLN A 81 -59.621 27.083 -51.191 1.00 0.00 C ATOM 1406 CD GLN A 81 -59.121 28.281 -52.001 1.00 0.00 C ATOM 1407 OE1 GLN A 81 -58.188 28.190 -52.781 1.00 0.00 O ATOM 1408 NE2 GLN A 81 -59.793 29.406 -51.773 1.00 0.00 N ATOM 0 H GLN A 81 -61.928 23.521 -51.737 1.00 0.00 H new ATOM 0 HA GLN A 81 -61.929 26.361 -51.677 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -59.302 25.030 -51.769 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -59.583 26.114 -53.117 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -60.532 27.355 -50.657 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -58.879 26.813 -50.439 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -60.565 29.413 -51.106 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -59.537 30.262 -52.265 1.00 0.00 H new ATOM 1417 N ALA A 82 -62.931 25.981 -53.872 1.00 0.00 N ATOM 1418 CA ALA A 82 -63.521 25.835 -55.191 1.00 0.00 C ATOM 1419 C ALA A 82 -64.595 26.907 -55.386 1.00 0.00 C ATOM 1420 O ALA A 82 -64.875 27.683 -54.474 1.00 0.00 O ATOM 1421 CB ALA A 82 -64.077 24.418 -55.349 1.00 0.00 C ATOM 0 H ALA A 82 -63.381 26.678 -53.278 1.00 0.00 H new ATOM 0 HA ALA A 82 -62.768 25.978 -55.966 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -64.520 24.309 -56.339 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -63.270 23.695 -55.231 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -64.838 24.239 -54.590 1.00 0.00 H new ATOM 1427 N ASN A 83 -65.166 26.917 -56.582 1.00 0.00 N ATOM 1428 CA ASN A 83 -66.203 27.881 -56.908 1.00 0.00 C ATOM 1429 C ASN A 83 -66.865 27.484 -58.229 1.00 0.00 C ATOM 1430 O ASN A 83 -66.268 26.777 -59.039 1.00 0.00 O ATOM 1431 CB ASN A 83 -65.616 29.284 -57.077 1.00 0.00 C ATOM 1432 CG ASN A 83 -66.397 30.308 -56.251 1.00 0.00 C ATOM 1433 OD1 ASN A 83 -66.383 30.301 -55.031 1.00 0.00 O ATOM 1434 ND2 ASN A 83 -67.079 31.186 -56.981 1.00 0.00 N ATOM 0 H ASN A 83 -64.930 26.273 -57.337 1.00 0.00 H new ATOM 0 HA ASN A 83 -66.926 27.888 -56.093 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -64.570 29.284 -56.769 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -65.638 29.567 -58.129 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -67.633 31.909 -56.523 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -67.048 31.136 -57.999 1.00 0.00 H new ATOM 1441 N THR A 84 -68.091 27.956 -58.405 1.00 0.00 N ATOM 1442 CA THR A 84 -68.841 27.659 -59.613 1.00 0.00 C ATOM 1443 C THR A 84 -67.930 27.740 -60.840 1.00 0.00 C ATOM 1444 O THR A 84 -67.458 26.718 -61.336 1.00 0.00 O ATOM 1445 CB THR A 84 -70.033 28.615 -59.677 1.00 0.00 C ATOM 1446 OG1 THR A 84 -70.856 28.217 -58.584 1.00 0.00 O ATOM 1447 CG2 THR A 84 -70.909 28.378 -60.909 1.00 0.00 C ATOM 0 H THR A 84 -68.583 28.542 -57.731 1.00 0.00 H new ATOM 0 HA THR A 84 -69.225 26.639 -59.599 1.00 0.00 H new ATOM 0 HB THR A 84 -69.673 29.644 -59.681 1.00 0.00 H new ATOM 0 HG1 THR A 84 -71.653 28.787 -58.550 1.00 0.00 H new ATOM 0 HG21 THR A 84 -71.740 29.083 -60.905 1.00 0.00 H new ATOM 0 HG22 THR A 84 -70.315 28.522 -61.811 1.00 0.00 H new ATOM 0 HG23 THR A 84 -71.297 27.360 -60.889 1.00 0.00 H new ATOM 1455 N LEU A 85 -67.711 28.965 -61.294 1.00 0.00 N ATOM 1456 CA LEU A 85 -66.865 29.194 -62.453 1.00 0.00 C ATOM 1457 C LEU A 85 -66.438 30.663 -62.486 1.00 0.00 C ATOM 1458 O LEU A 85 -65.275 30.969 -62.741 1.00 0.00 O ATOM 1459 CB LEU A 85 -67.569 28.729 -63.730 1.00 0.00 C ATOM 1460 CG LEU A 85 -69.071 29.008 -63.806 1.00 0.00 C ATOM 1461 CD1 LEU A 85 -69.355 30.257 -64.643 1.00 0.00 C ATOM 1462 CD2 LEU A 85 -69.829 27.785 -64.327 1.00 0.00 C ATOM 0 H LEU A 85 -68.105 29.810 -60.880 1.00 0.00 H new ATOM 0 HA LEU A 85 -65.954 28.599 -62.383 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -67.087 29.208 -64.582 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -67.413 27.656 -63.837 1.00 0.00 H new ATOM 0 HG LEU A 85 -69.433 29.207 -62.797 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -70.430 30.433 -64.681 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -68.862 31.118 -64.191 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -68.975 30.111 -65.654 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -70.895 28.009 -64.372 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -69.469 27.532 -65.324 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -69.663 26.942 -63.657 1.00 0.00 H new ATOM 1474 N VAL A 86 -67.403 31.532 -62.224 1.00 0.00 N ATOM 1475 CA VAL A 86 -67.142 32.962 -62.221 1.00 0.00 C ATOM 1476 C VAL A 86 -68.403 33.705 -61.777 1.00 0.00 C ATOM 1477 O VAL A 86 -68.927 34.540 -62.513 1.00 0.00 O ATOM 1478 CB VAL A 86 -66.639 33.405 -63.596 1.00 0.00 C ATOM 1479 CG1 VAL A 86 -67.670 33.096 -64.683 1.00 0.00 C ATOM 1480 CG2 VAL A 86 -66.273 34.891 -63.593 1.00 0.00 C ATOM 0 H VAL A 86 -68.367 31.274 -62.012 1.00 0.00 H new ATOM 0 HA VAL A 86 -66.354 33.205 -61.508 1.00 0.00 H new ATOM 0 HB VAL A 86 -65.736 32.838 -63.821 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -67.287 33.421 -65.650 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -67.860 32.023 -64.710 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -68.598 33.623 -64.464 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -65.918 35.180 -64.582 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -67.152 35.482 -63.336 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -65.487 35.071 -62.859 1.00 0.00 H new ATOM 1490 N ASP A 87 -68.855 33.375 -60.576 1.00 0.00 N ATOM 1491 CA ASP A 87 -70.045 34.002 -60.026 1.00 0.00 C ATOM 1492 C ASP A 87 -69.765 34.443 -58.588 1.00 0.00 C ATOM 1493 O ASP A 87 -70.407 33.968 -57.653 1.00 0.00 O ATOM 1494 CB ASP A 87 -71.220 33.023 -60.000 1.00 0.00 C ATOM 1495 CG ASP A 87 -72.603 33.673 -59.923 1.00 0.00 C ATOM 1496 OD1 ASP A 87 -72.829 34.759 -60.478 1.00 0.00 O ATOM 1497 OD2 ASP A 87 -73.481 33.010 -59.251 1.00 0.00 O ATOM 0 H ASP A 87 -68.419 32.682 -59.968 1.00 0.00 H new ATOM 0 HA ASP A 87 -70.299 34.855 -60.656 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -71.176 32.403 -60.895 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -71.100 32.358 -59.145 1.00 0.00 H new ATOM 1503 N LEU A 88 -68.806 35.348 -58.457 1.00 0.00 N ATOM 1504 CA LEU A 88 -68.433 35.859 -57.149 1.00 0.00 C ATOM 1505 C LEU A 88 -69.650 36.520 -56.499 1.00 0.00 C ATOM 1506 O LEU A 88 -69.736 36.604 -55.275 1.00 0.00 O ATOM 1507 CB LEU A 88 -67.218 36.782 -57.260 1.00 0.00 C ATOM 1508 CG LEU A 88 -67.511 38.233 -57.648 1.00 0.00 C ATOM 1509 CD1 LEU A 88 -66.623 39.200 -56.863 1.00 0.00 C ATOM 1510 CD2 LEU A 88 -67.381 38.434 -59.159 1.00 0.00 C ATOM 0 H LEU A 88 -68.276 35.740 -59.235 1.00 0.00 H new ATOM 0 HA LEU A 88 -68.125 35.043 -56.495 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -66.697 36.781 -56.303 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -66.533 36.361 -57.996 1.00 0.00 H new ATOM 0 HG LEU A 88 -68.544 38.456 -57.382 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -66.851 40.224 -57.158 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -66.808 39.079 -55.796 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -65.576 38.986 -57.076 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -67.594 39.474 -59.407 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -66.367 38.187 -59.473 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -68.089 37.785 -59.675 1.00 0.00 H new ATOM 1522 N ALA A 89 -70.561 36.973 -57.347 1.00 0.00 N ATOM 1523 CA ALA A 89 -71.770 37.624 -56.871 1.00 0.00 C ATOM 1524 C ALA A 89 -72.489 36.699 -55.888 1.00 0.00 C ATOM 1525 O ALA A 89 -72.662 37.042 -54.720 1.00 0.00 O ATOM 1526 CB ALA A 89 -72.650 38.004 -58.064 1.00 0.00 C ATOM 0 H ALA A 89 -70.486 36.902 -58.362 1.00 0.00 H new ATOM 0 HA ALA A 89 -71.526 38.544 -56.340 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -73.557 38.492 -57.706 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -72.104 38.685 -58.716 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -72.917 37.105 -58.620 1.00 0.00 H new ATOM 1532 N LYS A 90 -72.888 35.542 -56.397 1.00 0.00 N ATOM 1533 CA LYS A 90 -73.585 34.565 -55.578 1.00 0.00 C ATOM 1534 C LYS A 90 -75.040 35.002 -55.396 1.00 0.00 C ATOM 1535 O LYS A 90 -75.442 36.053 -55.893 1.00 0.00 O ATOM 1536 CB LYS A 90 -72.840 34.342 -54.260 1.00 0.00 C ATOM 1537 CG LYS A 90 -72.901 32.873 -53.837 1.00 0.00 C ATOM 1538 CD LYS A 90 -71.591 32.153 -54.166 1.00 0.00 C ATOM 1539 CE LYS A 90 -71.640 30.692 -53.715 1.00 0.00 C ATOM 1540 NZ LYS A 90 -70.970 30.531 -52.406 1.00 0.00 N ATOM 0 H LYS A 90 -72.742 35.260 -57.366 1.00 0.00 H new ATOM 0 HA LYS A 90 -73.604 33.595 -56.075 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -71.800 34.650 -54.370 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -73.277 34.967 -53.481 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -73.098 32.807 -52.767 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -73.729 32.379 -54.345 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -71.406 32.200 -55.239 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -70.760 32.661 -53.676 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -72.676 30.362 -53.643 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -71.155 30.059 -54.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -71.012 29.534 -52.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -69.976 30.826 -52.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -71.450 31.120 -51.696 1.00 0.00 H new ATOM 1553 N THR A 91 -75.788 34.173 -54.684 1.00 0.00 N ATOM 1554 CA THR A 91 -77.190 34.461 -54.430 1.00 0.00 C ATOM 1555 C THR A 91 -77.326 35.578 -53.394 1.00 0.00 C ATOM 1556 O THR A 91 -77.908 35.374 -52.329 1.00 0.00 O ATOM 1557 CB THR A 91 -77.872 33.157 -54.012 1.00 0.00 C ATOM 1558 OG1 THR A 91 -76.962 32.571 -53.085 1.00 0.00 O ATOM 1559 CG2 THR A 91 -77.946 32.142 -55.154 1.00 0.00 C ATOM 0 H THR A 91 -75.450 33.302 -54.275 1.00 0.00 H new ATOM 0 HA THR A 91 -77.687 34.831 -55.327 1.00 0.00 H new ATOM 0 HB THR A 91 -78.878 33.373 -53.653 1.00 0.00 H new ATOM 0 HG1 THR A 91 -77.327 31.721 -52.762 1.00 0.00 H new ATOM 0 HG21 THR A 91 -78.439 31.235 -54.803 1.00 0.00 H new ATOM 0 HG22 THR A 91 -78.514 32.567 -55.982 1.00 0.00 H new ATOM 0 HG23 THR A 91 -76.938 31.900 -55.491 1.00 0.00 H new ATOM 1567 N GLN A 92 -76.780 36.734 -53.742 1.00 0.00 N ATOM 1568 CA GLN A 92 -76.833 37.883 -52.855 1.00 0.00 C ATOM 1569 C GLN A 92 -77.956 38.832 -53.281 1.00 0.00 C ATOM 1570 O GLN A 92 -78.883 39.087 -52.514 1.00 0.00 O ATOM 1571 CB GLN A 92 -75.487 38.609 -52.816 1.00 0.00 C ATOM 1572 CG GLN A 92 -75.301 39.349 -51.490 1.00 0.00 C ATOM 1573 CD GLN A 92 -75.218 40.861 -51.713 1.00 0.00 C ATOM 1574 OE1 GLN A 92 -75.722 41.400 -52.684 1.00 0.00 O ATOM 1575 NE2 GLN A 92 -74.554 41.512 -50.761 1.00 0.00 N ATOM 0 H GLN A 92 -76.299 36.899 -54.626 1.00 0.00 H new ATOM 0 HA GLN A 92 -77.046 37.529 -51.847 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -74.678 37.891 -52.952 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -75.427 39.317 -53.643 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -76.132 39.121 -50.823 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -74.393 39.000 -50.999 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -74.157 40.999 -49.974 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -74.442 42.524 -50.818 1.00 0.00 H new TER 1584 GLN A 92