USER MOD reduce.3.24.130724 H: found=0, std=0, add=866, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 869 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 22 ASN : amide:sc= 0.759 K(o=0.83,f=-0.84) USER MOD Set 1.2: A 109 SER OG : rot 2:sc= 0.0729! USER MOD Set 2.1: A 12 HIS : no HD1:sc= -0.698 K(o=-3,f=-14!) USER MOD Set 2.2: A 68 CYS SG : rot 120:sc= 0.436 USER MOD Set 2.3: A 70 SER OG : rot 155:sc= 0.011 USER MOD Set 2.4: A 107 THR OG1 : rot -131:sc= 1.27 USER MOD Set 2.5: A 112 HIS :FLIP no HD1:sc= -3.97! C(o=-7.1!,f=-3!) USER MOD Set 3.1: A 7 LYS NZ :NH3+ -160:sc= 1.23 (180deg=-0.00314) USER MOD Set 3.2: A 81 SER OG : rot -142:sc= 2.3 USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 8:sc= 0.307 USER MOD Single : A 16 LYS NZ :NH3+ 142:sc= 0.974 (180deg=0.47) USER MOD Single : A 18 SER OG : rot 39:sc= 0.46 USER MOD Single : A 20 SER OG : rot 111:sc= 0.982 USER MOD Single : A 25 SER OG : rot 170:sc= 0.393 USER MOD Single : A 28 THR OG1 : rot -158:sc= 1.3 USER MOD Single : A 31 SER OG : rot -85:sc= 1.3 USER MOD Single : A 32 THR OG1 : rot -151:sc= -0.794! USER MOD Single : A 36 THR OG1 : rot -88:sc= 1.41 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN :FLIP amide:sc= 0 F(o=-0.93,f=0) USER MOD Single : A 46 LYS NZ :NH3+ -168:sc=-0.00929 (180deg=-0.146) USER MOD Single : A 48 SER OG : rot 180:sc= -0.124 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 SER OG : rot -5:sc= -0.157 USER MOD Single : A 57 SER OG : rot 91:sc= 1.24 USER MOD Single : A 63 SER OG : rot 79:sc= 1.26 USER MOD Single : A 64 GLN : amide:sc= 1.19 K(o=1.2,f=-0.055) USER MOD Single : A 66 SER OG : rot 180:sc= 0.659 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= -0.0713 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 85 MET CE :methyl -143:sc= -0.36 (180deg=-2.12!) USER MOD Single : A 86 MET CE :methyl -127:sc= -0.058 (180deg=-0.881) USER MOD Single : A 87 LYS NZ :NH3+ 165:sc= -0.0271 (180deg=-0.257) USER MOD Single : A 97 LYS NZ :NH3+ -168:sc= -0.0352 (180deg=-0.208) USER MOD Single : A 102 SER OG : rot 130:sc= 1.03 USER MOD Single : A 106 GLN : amide:sc= -0.121 X(o=-0.12,f=0) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 4 -24.196 -1.331 2.638 1.00 4.59 N ATOM 2 CA MET A 4 -25.017 -2.401 2.028 1.00 4.13 C ATOM 3 C MET A 4 -24.470 -2.764 0.650 1.00 3.08 C ATOM 4 O MET A 4 -25.205 -2.783 -0.341 1.00 3.52 O ATOM 5 CB MET A 4 -26.482 -1.960 1.912 1.00 4.92 C ATOM 6 CG MET A 4 -27.167 -1.706 3.249 1.00 5.54 C ATOM 7 SD MET A 4 -26.533 -0.247 4.104 1.00 6.61 S ATOM 8 CE MET A 4 -27.566 -0.241 5.569 1.00 7.23 C ATOM 0 HA MET A 4 -24.969 -3.279 2.672 1.00 4.13 H new ATOM 0 HB2 MET A 4 -26.529 -1.050 1.314 1.00 4.92 H new ATOM 0 HB3 MET A 4 -27.038 -2.726 1.371 1.00 4.92 H new ATOM 0 HG2 MET A 4 -28.238 -1.587 3.085 1.00 5.54 H new ATOM 0 HG3 MET A 4 -27.038 -2.579 3.888 1.00 5.54 H new ATOM 0 HE1 MET A 4 -27.296 0.605 6.201 1.00 7.23 H new ATOM 0 HE2 MET A 4 -28.612 -0.155 5.276 1.00 7.23 H new ATOM 0 HE3 MET A 4 -27.419 -1.169 6.122 1.00 7.23 H new ATOM 20 N SER A 5 -23.172 -3.034 0.595 1.00 2.21 N ATOM 21 CA SER A 5 -22.508 -3.392 -0.647 1.00 1.64 C ATOM 22 C SER A 5 -21.314 -4.287 -0.372 1.00 1.29 C ATOM 23 O SER A 5 -20.725 -4.245 0.710 1.00 1.48 O ATOM 24 CB SER A 5 -22.049 -2.135 -1.388 1.00 2.23 C ATOM 25 OG SER A 5 -23.153 -1.451 -1.946 1.00 2.88 O ATOM 0 H SER A 5 -22.555 -3.011 1.407 1.00 2.21 H new ATOM 0 HA SER A 5 -23.220 -3.933 -1.270 1.00 1.64 H new ATOM 0 HB2 SER A 5 -21.516 -1.477 -0.702 1.00 2.23 H new ATOM 0 HB3 SER A 5 -21.348 -2.408 -2.177 1.00 2.23 H new ATOM 0 HG SER A 5 -23.985 -1.864 -1.634 1.00 2.88 H new ATOM 31 N GLU A 6 -20.972 -5.104 -1.354 1.00 1.02 N ATOM 32 CA GLU A 6 -19.816 -5.979 -1.244 1.00 0.78 C ATOM 33 C GLU A 6 -18.649 -5.391 -2.024 1.00 0.71 C ATOM 34 O GLU A 6 -17.488 -5.635 -1.703 1.00 1.06 O ATOM 35 CB GLU A 6 -20.136 -7.391 -1.756 1.00 0.86 C ATOM 36 CG GLU A 6 -20.370 -7.468 -3.255 1.00 1.37 C ATOM 37 CD GLU A 6 -20.699 -8.868 -3.722 1.00 2.17 C ATOM 38 OE1 GLU A 6 -21.790 -9.371 -3.386 1.00 2.56 O ATOM 39 OE2 GLU A 6 -19.877 -9.469 -4.446 1.00 2.80 O ATOM 0 H GLU A 6 -21.478 -5.180 -2.236 1.00 1.02 H new ATOM 0 HA GLU A 6 -19.546 -6.057 -0.191 1.00 0.78 H new ATOM 0 HB2 GLU A 6 -19.314 -8.057 -1.493 1.00 0.86 H new ATOM 0 HB3 GLU A 6 -21.023 -7.760 -1.241 1.00 0.86 H new ATOM 0 HG2 GLU A 6 -21.185 -6.798 -3.526 1.00 1.37 H new ATOM 0 HG3 GLU A 6 -19.480 -7.115 -3.776 1.00 1.37 H new ATOM 46 N LYS A 7 -18.975 -4.604 -3.045 1.00 0.57 N ATOM 47 CA LYS A 7 -17.966 -3.975 -3.882 1.00 0.51 C ATOM 48 C LYS A 7 -17.312 -2.805 -3.163 1.00 0.42 C ATOM 49 O LYS A 7 -17.959 -1.810 -2.829 1.00 0.60 O ATOM 50 CB LYS A 7 -18.574 -3.519 -5.210 1.00 0.64 C ATOM 51 CG LYS A 7 -18.785 -4.652 -6.205 1.00 0.92 C ATOM 52 CD LYS A 7 -17.458 -5.171 -6.744 1.00 0.87 C ATOM 53 CE LYS A 7 -17.655 -6.255 -7.795 1.00 1.10 C ATOM 54 NZ LYS A 7 -18.194 -7.514 -7.216 1.00 1.19 N ATOM 0 H LYS A 7 -19.936 -4.388 -3.311 1.00 0.57 H new ATOM 0 HA LYS A 7 -17.194 -4.716 -4.093 1.00 0.51 H new ATOM 0 HB2 LYS A 7 -19.531 -3.035 -5.015 1.00 0.64 H new ATOM 0 HB3 LYS A 7 -17.923 -2.769 -5.659 1.00 0.64 H new ATOM 0 HG2 LYS A 7 -19.327 -5.466 -5.723 1.00 0.92 H new ATOM 0 HG3 LYS A 7 -19.404 -4.302 -7.031 1.00 0.92 H new ATOM 0 HD2 LYS A 7 -16.894 -4.345 -7.177 1.00 0.87 H new ATOM 0 HD3 LYS A 7 -16.862 -5.567 -5.922 1.00 0.87 H new ATOM 0 HE2 LYS A 7 -18.336 -5.892 -8.565 1.00 1.10 H new ATOM 0 HE3 LYS A 7 -16.703 -6.461 -8.283 1.00 1.10 H new ATOM 0 HZ1 LYS A 7 -17.999 -8.305 -7.862 1.00 1.19 H new ATOM 0 HZ2 LYS A 7 -17.740 -7.696 -6.298 1.00 1.19 H new ATOM 0 HZ3 LYS A 7 -19.221 -7.422 -7.082 1.00 1.19 H new ATOM 68 N LEU A 8 -16.029 -2.960 -2.917 1.00 0.33 N ATOM 69 CA LEU A 8 -15.222 -1.956 -2.256 1.00 0.26 C ATOM 70 C LEU A 8 -14.175 -1.458 -3.248 1.00 0.22 C ATOM 71 O LEU A 8 -13.887 -2.132 -4.233 1.00 0.22 O ATOM 72 CB LEU A 8 -14.564 -2.596 -1.020 1.00 0.25 C ATOM 73 CG LEU A 8 -14.298 -1.682 0.187 1.00 0.33 C ATOM 74 CD1 LEU A 8 -14.025 -2.521 1.427 1.00 1.18 C ATOM 75 CD2 LEU A 8 -13.119 -0.764 -0.069 1.00 0.81 C ATOM 0 H LEU A 8 -15.509 -3.799 -3.174 1.00 0.33 H new ATOM 0 HA LEU A 8 -15.824 -1.109 -1.927 1.00 0.26 H new ATOM 0 HB2 LEU A 8 -15.198 -3.418 -0.688 1.00 0.25 H new ATOM 0 HB3 LEU A 8 -13.614 -3.031 -1.330 1.00 0.25 H new ATOM 0 HG LEU A 8 -15.186 -1.070 0.345 1.00 0.33 H new ATOM 0 HD11 LEU A 8 -13.838 -1.864 2.277 1.00 1.18 H new ATOM 0 HD12 LEU A 8 -14.890 -3.150 1.638 1.00 1.18 H new ATOM 0 HD13 LEU A 8 -13.152 -3.150 1.255 1.00 1.18 H new ATOM 0 HD21 LEU A 8 -12.956 -0.130 0.802 1.00 0.81 H new ATOM 0 HD22 LEU A 8 -12.227 -1.361 -0.256 1.00 0.81 H new ATOM 0 HD23 LEU A 8 -13.326 -0.140 -0.938 1.00 0.81 H new ATOM 87 N ARG A 9 -13.639 -0.281 -3.011 1.00 0.24 N ATOM 88 CA ARG A 9 -12.559 0.256 -3.823 1.00 0.23 C ATOM 89 C ARG A 9 -11.535 0.895 -2.905 1.00 0.20 C ATOM 90 O ARG A 9 -11.903 1.662 -2.018 1.00 0.21 O ATOM 91 CB ARG A 9 -13.080 1.293 -4.822 1.00 0.25 C ATOM 92 CG ARG A 9 -11.978 1.912 -5.667 1.00 0.26 C ATOM 93 CD ARG A 9 -12.479 3.077 -6.503 1.00 0.34 C ATOM 94 NE ARG A 9 -11.371 3.828 -7.101 1.00 0.49 N ATOM 95 CZ ARG A 9 -11.412 5.130 -7.387 1.00 0.81 C ATOM 96 NH1 ARG A 9 -12.498 5.842 -7.116 1.00 1.06 N ATOM 97 NH2 ARG A 9 -10.360 5.721 -7.940 1.00 0.98 N ATOM 0 H ARG A 9 -13.936 0.333 -2.253 1.00 0.24 H new ATOM 0 HA ARG A 9 -12.105 -0.555 -4.392 1.00 0.23 H new ATOM 0 HB2 ARG A 9 -13.811 0.821 -5.478 1.00 0.25 H new ATOM 0 HB3 ARG A 9 -13.601 2.082 -4.279 1.00 0.25 H new ATOM 0 HG2 ARG A 9 -11.173 2.254 -5.017 1.00 0.26 H new ATOM 0 HG3 ARG A 9 -11.556 1.151 -6.324 1.00 0.26 H new ATOM 0 HD2 ARG A 9 -13.134 2.705 -7.291 1.00 0.34 H new ATOM 0 HD3 ARG A 9 -13.076 3.743 -5.880 1.00 0.34 H new ATOM 0 HE ARG A 9 -10.512 3.321 -7.312 1.00 0.49 H new ATOM 0 HH11 ARG A 9 -13.308 5.394 -6.687 1.00 1.06 H new ATOM 0 HH12 ARG A 9 -12.523 6.837 -7.337 1.00 1.06 H new ATOM 0 HH21 ARG A 9 -9.521 5.179 -8.146 1.00 0.98 H new ATOM 0 HH22 ARG A 9 -10.391 6.717 -8.159 1.00 0.98 H new ATOM 111 N ALA A 10 -10.265 0.568 -3.083 1.00 0.20 N ATOM 112 CA ALA A 10 -9.237 1.119 -2.212 1.00 0.17 C ATOM 113 C ALA A 10 -7.932 1.385 -2.950 1.00 0.16 C ATOM 114 O ALA A 10 -7.644 0.770 -3.979 1.00 0.17 O ATOM 115 CB ALA A 10 -9.001 0.186 -1.036 1.00 0.22 C ATOM 0 H ALA A 10 -9.925 -0.064 -3.808 1.00 0.20 H new ATOM 0 HA ALA A 10 -9.597 2.081 -1.848 1.00 0.17 H new ATOM 0 HB1 ALA A 10 -8.231 0.605 -0.388 1.00 0.22 H new ATOM 0 HB2 ALA A 10 -9.926 0.071 -0.472 1.00 0.22 H new ATOM 0 HB3 ALA A 10 -8.677 -0.788 -1.403 1.00 0.22 H new ATOM 121 N ALA A 11 -7.152 2.312 -2.411 1.00 0.17 N ATOM 122 CA ALA A 11 -5.837 2.629 -2.945 1.00 0.18 C ATOM 123 C ALA A 11 -4.772 2.143 -1.988 1.00 0.17 C ATOM 124 O ALA A 11 -4.866 2.374 -0.786 1.00 0.19 O ATOM 125 CB ALA A 11 -5.694 4.126 -3.186 1.00 0.20 C ATOM 0 H ALA A 11 -7.413 2.863 -1.594 1.00 0.17 H new ATOM 0 HA ALA A 11 -5.716 2.124 -3.903 1.00 0.18 H new ATOM 0 HB1 ALA A 11 -4.702 4.337 -3.585 1.00 0.20 H new ATOM 0 HB2 ALA A 11 -6.450 4.453 -3.900 1.00 0.20 H new ATOM 0 HB3 ALA A 11 -5.828 4.660 -2.245 1.00 0.20 H new ATOM 131 N HIS A 12 -3.759 1.480 -2.515 1.00 0.16 N ATOM 132 CA HIS A 12 -2.778 0.829 -1.667 1.00 0.16 C ATOM 133 C HIS A 12 -1.365 1.007 -2.214 1.00 0.15 C ATOM 134 O HIS A 12 -1.148 0.992 -3.427 1.00 0.19 O ATOM 135 CB HIS A 12 -3.104 -0.661 -1.524 1.00 0.17 C ATOM 136 CG HIS A 12 -2.869 -1.474 -2.764 1.00 0.15 C ATOM 137 ND1 HIS A 12 -3.656 -1.390 -3.891 1.00 0.23 N ATOM 138 CD2 HIS A 12 -1.925 -2.402 -3.041 1.00 0.22 C ATOM 139 CE1 HIS A 12 -3.202 -2.233 -4.798 1.00 0.23 C ATOM 140 NE2 HIS A 12 -2.155 -2.858 -4.309 1.00 0.21 N ATOM 0 H HIS A 12 -3.595 1.379 -3.517 1.00 0.16 H new ATOM 0 HA HIS A 12 -2.821 1.300 -0.685 1.00 0.16 H new ATOM 0 HB2 HIS A 12 -2.503 -1.075 -0.715 1.00 0.17 H new ATOM 0 HB3 HIS A 12 -4.149 -0.764 -1.230 1.00 0.17 H new ATOM 0 HD2 HIS A 12 -1.133 -2.724 -2.381 1.00 0.22 H new ATOM 0 HE1 HIS A 12 -3.622 -2.385 -5.781 1.00 0.23 H new ATOM 0 HE2 HIS A 12 -1.605 -3.566 -4.795 1.00 0.21 H new ATOM 149 N LEU A 13 -0.414 1.165 -1.311 1.00 0.15 N ATOM 150 CA LEU A 13 0.987 1.285 -1.680 1.00 0.14 C ATOM 151 C LEU A 13 1.724 0.041 -1.196 1.00 0.16 C ATOM 152 O LEU A 13 1.496 -0.417 -0.080 1.00 0.24 O ATOM 153 CB LEU A 13 1.582 2.563 -1.065 1.00 0.15 C ATOM 154 CG LEU A 13 2.893 3.070 -1.686 1.00 0.15 C ATOM 155 CD1 LEU A 13 3.106 4.536 -1.345 1.00 0.16 C ATOM 156 CD2 LEU A 13 4.084 2.258 -1.205 1.00 0.18 C ATOM 0 H LEU A 13 -0.588 1.214 -0.307 1.00 0.15 H new ATOM 0 HA LEU A 13 1.091 1.360 -2.762 1.00 0.14 H new ATOM 0 HB2 LEU A 13 0.839 3.357 -1.139 1.00 0.15 H new ATOM 0 HB3 LEU A 13 1.753 2.385 -0.003 1.00 0.15 H new ATOM 0 HG LEU A 13 2.812 2.955 -2.767 1.00 0.15 H new ATOM 0 HD11 LEU A 13 4.038 4.882 -1.791 1.00 0.16 H new ATOM 0 HD12 LEU A 13 2.276 5.125 -1.736 1.00 0.16 H new ATOM 0 HD13 LEU A 13 3.156 4.654 -0.263 1.00 0.16 H new ATOM 0 HD21 LEU A 13 4.995 2.642 -1.663 1.00 0.18 H new ATOM 0 HD22 LEU A 13 4.163 2.335 -0.121 1.00 0.18 H new ATOM 0 HD23 LEU A 13 3.950 1.213 -1.486 1.00 0.18 H new ATOM 168 N LEU A 14 2.565 -0.524 -2.050 1.00 0.13 N ATOM 169 CA LEU A 14 3.299 -1.740 -1.718 1.00 0.14 C ATOM 170 C LEU A 14 4.801 -1.493 -1.713 1.00 0.16 C ATOM 171 O LEU A 14 5.370 -1.059 -2.710 1.00 0.27 O ATOM 172 CB LEU A 14 2.951 -2.848 -2.720 1.00 0.16 C ATOM 173 CG LEU A 14 3.866 -4.083 -2.721 1.00 0.20 C ATOM 174 CD1 LEU A 14 3.862 -4.786 -1.372 1.00 0.18 C ATOM 175 CD2 LEU A 14 3.436 -5.044 -3.816 1.00 0.27 C ATOM 0 H LEU A 14 2.758 -0.159 -2.983 1.00 0.13 H new ATOM 0 HA LEU A 14 3.006 -2.052 -0.716 1.00 0.14 H new ATOM 0 HB2 LEU A 14 1.931 -3.179 -2.522 1.00 0.16 H new ATOM 0 HB3 LEU A 14 2.958 -2.417 -3.721 1.00 0.16 H new ATOM 0 HG LEU A 14 4.885 -3.746 -2.914 1.00 0.20 H new ATOM 0 HD11 LEU A 14 4.520 -5.654 -1.412 1.00 0.18 H new ATOM 0 HD12 LEU A 14 4.214 -4.099 -0.603 1.00 0.18 H new ATOM 0 HD13 LEU A 14 2.849 -5.110 -1.133 1.00 0.18 H new ATOM 0 HD21 LEU A 14 4.089 -5.917 -3.811 1.00 0.27 H new ATOM 0 HD22 LEU A 14 2.407 -5.359 -3.640 1.00 0.27 H new ATOM 0 HD23 LEU A 14 3.503 -4.547 -4.784 1.00 0.27 H new ATOM 187 N VAL A 15 5.434 -1.766 -0.585 1.00 0.13 N ATOM 188 CA VAL A 15 6.883 -1.691 -0.489 1.00 0.13 C ATOM 189 C VAL A 15 7.466 -3.094 -0.384 1.00 0.13 C ATOM 190 O VAL A 15 6.957 -3.934 0.364 1.00 0.15 O ATOM 191 CB VAL A 15 7.344 -0.850 0.723 1.00 0.13 C ATOM 192 CG1 VAL A 15 8.863 -0.801 0.806 1.00 0.13 C ATOM 193 CG2 VAL A 15 6.779 0.557 0.647 1.00 0.15 C ATOM 0 H VAL A 15 4.967 -2.042 0.279 1.00 0.13 H new ATOM 0 HA VAL A 15 7.245 -1.199 -1.392 1.00 0.13 H new ATOM 0 HB VAL A 15 6.965 -1.330 1.625 1.00 0.13 H new ATOM 0 HG11 VAL A 15 9.161 -0.203 1.667 1.00 0.13 H new ATOM 0 HG12 VAL A 15 9.254 -1.813 0.913 1.00 0.13 H new ATOM 0 HG13 VAL A 15 9.263 -0.352 -0.103 1.00 0.13 H new ATOM 0 HG21 VAL A 15 7.116 1.132 1.510 1.00 0.15 H new ATOM 0 HG22 VAL A 15 7.125 1.039 -0.267 1.00 0.15 H new ATOM 0 HG23 VAL A 15 5.690 0.512 0.644 1.00 0.15 H new ATOM 203 N LYS A 16 8.506 -3.347 -1.157 1.00 0.15 N ATOM 204 CA LYS A 16 9.210 -4.617 -1.115 1.00 0.17 C ATOM 205 C LYS A 16 10.550 -4.430 -0.420 1.00 0.16 C ATOM 206 O LYS A 16 11.146 -3.355 -0.499 1.00 0.24 O ATOM 207 CB LYS A 16 9.421 -5.155 -2.533 1.00 0.23 C ATOM 208 CG LYS A 16 8.150 -5.650 -3.203 1.00 0.26 C ATOM 209 CD LYS A 16 7.681 -6.958 -2.593 1.00 0.37 C ATOM 210 CE LYS A 16 6.356 -7.416 -3.177 1.00 0.48 C ATOM 211 NZ LYS A 16 6.444 -7.692 -4.633 1.00 0.62 N ATOM 0 H LYS A 16 8.886 -2.681 -1.830 1.00 0.15 H new ATOM 0 HA LYS A 16 8.613 -5.339 -0.558 1.00 0.17 H new ATOM 0 HB2 LYS A 16 9.860 -4.369 -3.147 1.00 0.23 H new ATOM 0 HB3 LYS A 16 10.142 -5.972 -2.497 1.00 0.23 H new ATOM 0 HG2 LYS A 16 7.367 -4.898 -3.104 1.00 0.26 H new ATOM 0 HG3 LYS A 16 8.328 -5.786 -4.270 1.00 0.26 H new ATOM 0 HD2 LYS A 16 8.436 -7.727 -2.760 1.00 0.37 H new ATOM 0 HD3 LYS A 16 7.580 -6.839 -1.514 1.00 0.37 H new ATOM 0 HE2 LYS A 16 6.026 -8.316 -2.659 1.00 0.48 H new ATOM 0 HE3 LYS A 16 5.600 -6.651 -3.000 1.00 0.48 H new ATOM 0 HZ1 LYS A 16 5.863 -8.523 -4.865 1.00 0.62 H new ATOM 0 HZ2 LYS A 16 6.097 -6.868 -5.164 1.00 0.62 H new ATOM 0 HZ3 LYS A 16 7.434 -7.879 -4.892 1.00 0.62 H new ATOM 225 N PHE A 17 11.030 -5.465 0.247 1.00 0.17 N ATOM 226 CA PHE A 17 12.291 -5.377 0.960 1.00 0.17 C ATOM 227 C PHE A 17 13.107 -6.643 0.768 1.00 0.19 C ATOM 228 O PHE A 17 12.581 -7.672 0.343 1.00 0.21 O ATOM 229 CB PHE A 17 12.072 -5.075 2.448 1.00 0.17 C ATOM 230 CG PHE A 17 11.211 -6.061 3.197 1.00 0.17 C ATOM 231 CD1 PHE A 17 11.762 -7.198 3.770 1.00 0.19 C ATOM 232 CD2 PHE A 17 9.855 -5.826 3.360 1.00 0.20 C ATOM 233 CE1 PHE A 17 10.975 -8.083 4.485 1.00 0.23 C ATOM 234 CE2 PHE A 17 9.065 -6.703 4.078 1.00 0.23 C ATOM 235 CZ PHE A 17 9.624 -7.833 4.642 1.00 0.25 C ATOM 0 H PHE A 17 10.568 -6.372 0.309 1.00 0.17 H new ATOM 0 HA PHE A 17 12.856 -4.545 0.540 1.00 0.17 H new ATOM 0 HB2 PHE A 17 13.045 -5.026 2.937 1.00 0.17 H new ATOM 0 HB3 PHE A 17 11.621 -4.087 2.536 1.00 0.17 H new ATOM 0 HD1 PHE A 17 12.818 -7.395 3.657 1.00 0.19 H new ATOM 0 HD2 PHE A 17 9.410 -4.946 2.920 1.00 0.20 H new ATOM 0 HE1 PHE A 17 11.415 -8.968 4.920 1.00 0.23 H new ATOM 0 HE2 PHE A 17 8.010 -6.505 4.198 1.00 0.23 H new ATOM 0 HZ PHE A 17 9.008 -8.519 5.204 1.00 0.25 H new ATOM 245 N SER A 18 14.400 -6.542 1.033 1.00 0.22 N ATOM 246 CA SER A 18 15.312 -7.660 0.880 1.00 0.26 C ATOM 247 C SER A 18 14.805 -8.891 1.633 1.00 0.30 C ATOM 248 O SER A 18 14.792 -8.917 2.867 1.00 0.30 O ATOM 249 CB SER A 18 16.704 -7.259 1.384 1.00 0.29 C ATOM 250 OG SER A 18 16.658 -6.803 2.726 1.00 1.04 O ATOM 0 H SER A 18 14.844 -5.684 1.359 1.00 0.22 H new ATOM 0 HA SER A 18 15.372 -7.919 -0.177 1.00 0.26 H new ATOM 0 HB2 SER A 18 17.378 -8.112 1.311 1.00 0.29 H new ATOM 0 HB3 SER A 18 17.112 -6.475 0.746 1.00 0.29 H new ATOM 0 HG SER A 18 16.021 -7.347 3.235 1.00 1.04 H new ATOM 256 N GLY A 19 14.377 -9.899 0.882 1.00 0.35 N ATOM 257 CA GLY A 19 13.924 -11.130 1.490 1.00 0.45 C ATOM 258 C GLY A 19 12.415 -11.222 1.635 1.00 0.42 C ATOM 259 O GLY A 19 11.918 -12.133 2.293 1.00 0.53 O ATOM 0 H GLY A 19 14.337 -9.883 -0.137 1.00 0.35 H new ATOM 0 HA2 GLY A 19 14.274 -11.971 0.891 1.00 0.45 H new ATOM 0 HA3 GLY A 19 14.381 -11.228 2.475 1.00 0.45 H new ATOM 263 N SER A 20 11.667 -10.298 1.039 1.00 0.34 N ATOM 264 CA SER A 20 10.215 -10.315 1.185 1.00 0.41 C ATOM 265 C SER A 20 9.562 -11.122 0.059 1.00 0.40 C ATOM 266 O SER A 20 8.617 -10.661 -0.589 1.00 0.45 O ATOM 267 CB SER A 20 9.662 -8.887 1.223 1.00 0.51 C ATOM 268 OG SER A 20 9.855 -8.213 -0.010 1.00 0.70 O ATOM 0 H SER A 20 12.033 -9.542 0.461 1.00 0.34 H new ATOM 0 HA SER A 20 9.973 -10.801 2.130 1.00 0.41 H new ATOM 0 HB2 SER A 20 8.598 -8.916 1.459 1.00 0.51 H new ATOM 0 HB3 SER A 20 10.151 -8.329 2.022 1.00 0.51 H new ATOM 0 HG SER A 20 8.989 -8.084 -0.451 1.00 0.70 H new ATOM 274 N ARG A 21 10.090 -12.326 -0.174 1.00 0.43 N ATOM 275 CA ARG A 21 9.619 -13.228 -1.236 1.00 0.49 C ATOM 276 C ARG A 21 10.005 -12.712 -2.623 1.00 0.51 C ATOM 277 O ARG A 21 10.288 -13.498 -3.526 1.00 0.60 O ATOM 278 CB ARG A 21 8.102 -13.452 -1.161 1.00 0.58 C ATOM 279 CG ARG A 21 7.639 -14.140 0.112 1.00 1.25 C ATOM 280 CD ARG A 21 6.153 -14.452 0.060 1.00 1.25 C ATOM 281 NE ARG A 21 5.670 -15.044 1.307 1.00 2.28 N ATOM 282 CZ ARG A 21 4.454 -15.562 1.470 1.00 2.47 C ATOM 283 NH1 ARG A 21 3.592 -15.577 0.461 1.00 1.89 N ATOM 284 NH2 ARG A 21 4.100 -16.071 2.644 1.00 3.49 N ATOM 0 H ARG A 21 10.862 -12.708 0.371 1.00 0.43 H new ATOM 0 HA ARG A 21 10.113 -14.186 -1.074 1.00 0.49 H new ATOM 0 HB2 ARG A 21 7.599 -12.489 -1.244 1.00 0.58 H new ATOM 0 HB3 ARG A 21 7.791 -14.049 -2.018 1.00 0.58 H new ATOM 0 HG2 ARG A 21 8.202 -15.062 0.255 1.00 1.25 H new ATOM 0 HG3 ARG A 21 7.849 -13.502 0.970 1.00 1.25 H new ATOM 0 HD2 ARG A 21 5.598 -13.536 -0.145 1.00 1.25 H new ATOM 0 HD3 ARG A 21 5.955 -15.136 -0.766 1.00 1.25 H new ATOM 0 HE ARG A 21 6.306 -15.061 2.104 1.00 2.28 H new ATOM 0 HH11 ARG A 21 3.860 -15.191 -0.444 1.00 1.89 H new ATOM 0 HH12 ARG A 21 2.662 -15.975 0.591 1.00 1.89 H new ATOM 0 HH21 ARG A 21 4.760 -16.065 3.422 1.00 3.49 H new ATOM 0 HH22 ARG A 21 3.168 -16.468 2.768 1.00 3.49 H new ATOM 298 N ASN A 22 10.013 -11.395 -2.790 1.00 0.51 N ATOM 299 CA ASN A 22 10.364 -10.779 -4.063 1.00 0.62 C ATOM 300 C ASN A 22 11.154 -9.495 -3.832 1.00 0.58 C ATOM 301 O ASN A 22 10.569 -8.421 -3.679 1.00 0.64 O ATOM 302 CB ASN A 22 9.114 -10.449 -4.881 1.00 0.87 C ATOM 303 CG ASN A 22 8.241 -11.655 -5.171 1.00 0.93 C ATOM 304 OD1 ASN A 22 8.462 -12.380 -6.139 1.00 1.77 O ATOM 305 ND2 ASN A 22 7.221 -11.864 -4.348 1.00 0.80 N ATOM 0 H ASN A 22 9.779 -10.729 -2.054 1.00 0.51 H new ATOM 0 HA ASN A 22 10.973 -11.495 -4.616 1.00 0.62 H new ATOM 0 HB2 ASN A 22 8.525 -9.705 -4.344 1.00 0.87 H new ATOM 0 HB3 ASN A 22 9.417 -9.995 -5.825 1.00 0.87 H new ATOM 0 HD21 ASN A 22 6.589 -12.648 -4.509 1.00 0.80 H new ATOM 0 HD22 ASN A 22 7.070 -11.241 -3.555 1.00 0.80 H new ATOM 312 N PRO A 23 12.487 -9.588 -3.781 1.00 0.55 N ATOM 313 CA PRO A 23 13.371 -8.433 -3.577 1.00 0.61 C ATOM 314 C PRO A 23 13.487 -7.538 -4.818 1.00 0.79 C ATOM 315 O PRO A 23 14.589 -7.256 -5.284 1.00 1.71 O ATOM 316 CB PRO A 23 14.732 -9.074 -3.277 1.00 0.66 C ATOM 317 CG PRO A 23 14.425 -10.509 -3.001 1.00 0.73 C ATOM 318 CD PRO A 23 13.260 -10.829 -3.870 1.00 0.57 C ATOM 0 HA PRO A 23 12.993 -7.782 -2.789 1.00 0.61 H new ATOM 0 HB2 PRO A 23 15.413 -8.971 -4.122 1.00 0.66 H new ATOM 0 HB3 PRO A 23 15.212 -8.600 -2.421 1.00 0.66 H new ATOM 0 HG2 PRO A 23 15.278 -11.147 -3.234 1.00 0.73 H new ATOM 0 HG3 PRO A 23 14.187 -10.666 -1.949 1.00 0.73 H new ATOM 0 HD2 PRO A 23 13.560 -11.054 -4.893 1.00 0.57 H new ATOM 0 HD3 PRO A 23 12.699 -11.690 -3.506 1.00 0.57 H new ATOM 326 N VAL A 24 12.352 -7.082 -5.330 1.00 0.39 N ATOM 327 CA VAL A 24 12.295 -6.215 -6.510 1.00 0.36 C ATOM 328 C VAL A 24 11.121 -5.255 -6.373 1.00 0.32 C ATOM 329 O VAL A 24 9.981 -5.694 -6.270 1.00 0.35 O ATOM 330 CB VAL A 24 12.110 -7.016 -7.826 1.00 0.42 C ATOM 331 CG1 VAL A 24 12.052 -6.077 -9.025 1.00 0.43 C ATOM 332 CG2 VAL A 24 13.215 -8.048 -8.015 1.00 0.48 C ATOM 0 H VAL A 24 11.436 -7.302 -4.939 1.00 0.39 H new ATOM 0 HA VAL A 24 13.245 -5.682 -6.563 1.00 0.36 H new ATOM 0 HB VAL A 24 11.163 -7.550 -7.752 1.00 0.42 H new ATOM 0 HG11 VAL A 24 11.922 -6.659 -9.937 1.00 0.43 H new ATOM 0 HG12 VAL A 24 11.213 -5.391 -8.910 1.00 0.43 H new ATOM 0 HG13 VAL A 24 12.980 -5.508 -9.087 1.00 0.43 H new ATOM 0 HG21 VAL A 24 13.052 -8.589 -8.947 1.00 0.48 H new ATOM 0 HG22 VAL A 24 14.181 -7.544 -8.052 1.00 0.48 H new ATOM 0 HG23 VAL A 24 13.204 -8.750 -7.181 1.00 0.48 H new ATOM 342 N SER A 25 11.397 -3.958 -6.325 1.00 0.32 N ATOM 343 CA SER A 25 10.342 -2.961 -6.221 1.00 0.32 C ATOM 344 C SER A 25 10.163 -2.236 -7.554 1.00 0.32 C ATOM 345 O SER A 25 11.117 -2.109 -8.317 1.00 0.36 O ATOM 346 CB SER A 25 10.688 -1.967 -5.110 1.00 0.42 C ATOM 347 OG SER A 25 9.711 -0.946 -5.010 1.00 1.12 O ATOM 0 H SER A 25 12.341 -3.573 -6.356 1.00 0.32 H new ATOM 0 HA SER A 25 9.402 -3.456 -5.975 1.00 0.32 H new ATOM 0 HB2 SER A 25 10.765 -2.494 -4.159 1.00 0.42 H new ATOM 0 HB3 SER A 25 11.663 -1.522 -5.308 1.00 0.42 H new ATOM 0 HG SER A 25 9.868 -0.422 -4.197 1.00 1.12 H new ATOM 353 N ARG A 26 8.945 -1.749 -7.827 1.00 0.32 N ATOM 354 CA ARG A 26 8.712 -0.870 -8.984 1.00 0.34 C ATOM 355 C ARG A 26 9.451 0.442 -8.793 1.00 0.37 C ATOM 356 O ARG A 26 9.629 1.213 -9.737 1.00 0.44 O ATOM 357 CB ARG A 26 7.222 -0.582 -9.205 1.00 0.39 C ATOM 358 CG ARG A 26 6.518 -1.575 -10.120 1.00 0.52 C ATOM 359 CD ARG A 26 6.824 -3.014 -9.742 1.00 0.82 C ATOM 360 NE ARG A 26 6.137 -3.980 -10.595 1.00 1.21 N ATOM 361 CZ ARG A 26 6.017 -5.275 -10.298 1.00 1.88 C ATOM 362 NH1 ARG A 26 6.540 -5.756 -9.175 1.00 2.47 N ATOM 363 NH2 ARG A 26 5.372 -6.088 -11.125 1.00 2.54 N ATOM 0 H ARG A 26 8.113 -1.945 -7.270 1.00 0.32 H new ATOM 0 HA ARG A 26 9.086 -1.392 -9.865 1.00 0.34 H new ATOM 0 HB2 ARG A 26 6.718 -0.577 -8.238 1.00 0.39 H new ATOM 0 HB3 ARG A 26 7.116 0.418 -9.625 1.00 0.39 H new ATOM 0 HG2 ARG A 26 5.442 -1.409 -10.075 1.00 0.52 H new ATOM 0 HG3 ARG A 26 6.825 -1.398 -11.151 1.00 0.52 H new ATOM 0 HD2 ARG A 26 7.899 -3.181 -9.805 1.00 0.82 H new ATOM 0 HD3 ARG A 26 6.535 -3.182 -8.704 1.00 0.82 H new ATOM 0 HE ARG A 26 5.726 -3.646 -11.467 1.00 1.21 H new ATOM 0 HH11 ARG A 26 7.036 -5.134 -8.536 1.00 2.47 H new ATOM 0 HH12 ARG A 26 6.446 -6.747 -8.952 1.00 2.47 H new ATOM 0 HH21 ARG A 26 4.968 -5.723 -11.987 1.00 2.54 H new ATOM 0 HH22 ARG A 26 5.280 -7.078 -10.898 1.00 2.54 H new ATOM 377 N ARG A 27 9.884 0.678 -7.559 1.00 0.36 N ATOM 378 CA ARG A 27 10.646 1.865 -7.217 1.00 0.44 C ATOM 379 C ARG A 27 12.000 1.812 -7.902 1.00 0.53 C ATOM 380 O ARG A 27 12.511 2.825 -8.376 1.00 0.73 O ATOM 381 CB ARG A 27 10.853 1.947 -5.703 1.00 0.52 C ATOM 382 CG ARG A 27 11.104 3.355 -5.191 1.00 0.55 C ATOM 383 CD ARG A 27 11.823 3.351 -3.849 1.00 0.70 C ATOM 384 NE ARG A 27 13.224 2.951 -3.985 1.00 0.91 N ATOM 385 CZ ARG A 27 13.944 2.384 -3.015 1.00 1.12 C ATOM 386 NH1 ARG A 27 13.403 2.136 -1.827 1.00 1.77 N ATOM 387 NH2 ARG A 27 15.215 2.070 -3.237 1.00 1.63 N ATOM 0 H ARG A 27 9.715 0.051 -6.772 1.00 0.36 H new ATOM 0 HA ARG A 27 10.094 2.744 -7.550 1.00 0.44 H new ATOM 0 HB2 ARG A 27 9.973 1.541 -5.203 1.00 0.52 H new ATOM 0 HB3 ARG A 27 11.697 1.315 -5.427 1.00 0.52 H new ATOM 0 HG2 ARG A 27 11.699 3.906 -5.920 1.00 0.55 H new ATOM 0 HG3 ARG A 27 10.154 3.880 -5.092 1.00 0.55 H new ATOM 0 HD2 ARG A 27 11.770 4.345 -3.405 1.00 0.70 H new ATOM 0 HD3 ARG A 27 11.315 2.670 -3.166 1.00 0.70 H new ATOM 0 HE ARG A 27 13.681 3.117 -4.882 1.00 0.91 H new ATOM 0 HH11 ARG A 27 12.428 2.379 -1.650 1.00 1.77 H new ATOM 0 HH12 ARG A 27 13.962 1.702 -1.092 1.00 1.77 H new ATOM 0 HH21 ARG A 27 15.637 2.262 -4.146 1.00 1.63 H new ATOM 0 HH22 ARG A 27 15.770 1.636 -2.499 1.00 1.63 H new ATOM 401 N THR A 28 12.579 0.617 -7.948 1.00 0.45 N ATOM 402 CA THR A 28 13.903 0.443 -8.511 1.00 0.53 C ATOM 403 C THR A 28 13.830 -0.214 -9.884 1.00 0.55 C ATOM 404 O THR A 28 14.603 0.101 -10.788 1.00 0.67 O ATOM 405 CB THR A 28 14.782 -0.423 -7.585 1.00 0.55 C ATOM 406 OG1 THR A 28 14.310 -1.779 -7.571 1.00 0.55 O ATOM 407 CG2 THR A 28 14.755 0.108 -6.162 1.00 0.53 C ATOM 0 H THR A 28 12.149 -0.241 -7.602 1.00 0.45 H new ATOM 0 HA THR A 28 14.348 1.433 -8.611 1.00 0.53 H new ATOM 0 HB THR A 28 15.801 -0.386 -7.970 1.00 0.55 H new ATOM 0 HG1 THR A 28 14.625 -2.227 -6.758 1.00 0.55 H new ATOM 0 HG21 THR A 28 15.382 -0.519 -5.528 1.00 0.53 H new ATOM 0 HG22 THR A 28 15.132 1.131 -6.148 1.00 0.53 H new ATOM 0 HG23 THR A 28 13.731 0.094 -5.788 1.00 0.53 H new ATOM 415 N GLY A 29 12.868 -1.119 -10.033 1.00 0.47 N ATOM 416 CA GLY A 29 12.707 -1.852 -11.275 1.00 0.52 C ATOM 417 C GLY A 29 13.793 -2.892 -11.467 1.00 0.58 C ATOM 418 O GLY A 29 13.903 -3.503 -12.532 1.00 0.82 O ATOM 0 H GLY A 29 12.191 -1.359 -9.308 1.00 0.47 H new ATOM 0 HA2 GLY A 29 11.732 -2.340 -11.284 1.00 0.52 H new ATOM 0 HA3 GLY A 29 12.722 -1.154 -12.112 1.00 0.52 H new ATOM 422 N ASP A 30 14.598 -3.090 -10.431 1.00 0.53 N ATOM 423 CA ASP A 30 15.705 -4.034 -10.485 1.00 0.58 C ATOM 424 C ASP A 30 15.683 -4.944 -9.266 1.00 0.55 C ATOM 425 O ASP A 30 15.398 -6.135 -9.371 1.00 0.84 O ATOM 426 CB ASP A 30 17.040 -3.288 -10.554 1.00 0.67 C ATOM 427 CG ASP A 30 18.229 -4.225 -10.613 1.00 1.31 C ATOM 428 OD1 ASP A 30 18.621 -4.624 -11.729 1.00 1.69 O ATOM 429 OD2 ASP A 30 18.785 -4.558 -9.543 1.00 2.10 O ATOM 0 H ASP A 30 14.503 -2.606 -9.538 1.00 0.53 H new ATOM 0 HA ASP A 30 15.595 -4.642 -11.383 1.00 0.58 H new ATOM 0 HB2 ASP A 30 17.047 -2.643 -11.433 1.00 0.67 H new ATOM 0 HB3 ASP A 30 17.135 -2.640 -9.683 1.00 0.67 H new ATOM 434 N SER A 31 15.989 -4.378 -8.110 1.00 0.53 N ATOM 435 CA SER A 31 15.956 -5.118 -6.862 1.00 0.50 C ATOM 436 C SER A 31 15.726 -4.178 -5.689 1.00 0.42 C ATOM 437 O SER A 31 15.947 -2.975 -5.802 1.00 0.48 O ATOM 438 CB SER A 31 17.258 -5.895 -6.669 1.00 0.62 C ATOM 439 OG SER A 31 18.386 -5.079 -6.937 1.00 1.08 O ATOM 0 H SER A 31 16.265 -3.401 -8.012 1.00 0.53 H new ATOM 0 HA SER A 31 15.129 -5.827 -6.905 1.00 0.50 H new ATOM 0 HB2 SER A 31 17.312 -6.271 -5.647 1.00 0.62 H new ATOM 0 HB3 SER A 31 17.268 -6.762 -7.329 1.00 0.62 H new ATOM 0 HG SER A 31 18.578 -5.092 -7.898 1.00 1.08 H new ATOM 445 N THR A 32 15.228 -4.721 -4.592 1.00 0.34 N ATOM 446 CA THR A 32 15.107 -3.961 -3.354 1.00 0.29 C ATOM 447 C THR A 32 15.822 -4.705 -2.220 1.00 0.27 C ATOM 448 O THR A 32 15.486 -4.581 -1.044 1.00 0.28 O ATOM 449 CB THR A 32 13.625 -3.670 -3.012 1.00 0.27 C ATOM 450 OG1 THR A 32 13.507 -2.902 -1.818 1.00 0.27 O ATOM 451 CG2 THR A 32 12.827 -4.950 -2.876 1.00 0.29 C ATOM 0 H THR A 32 14.900 -5.685 -4.530 1.00 0.34 H new ATOM 0 HA THR A 32 15.589 -2.992 -3.486 1.00 0.29 H new ATOM 0 HB THR A 32 13.218 -3.091 -3.841 1.00 0.27 H new ATOM 0 HG1 THR A 32 12.656 -3.110 -1.378 1.00 0.27 H new ATOM 0 HG21 THR A 32 11.791 -4.709 -2.636 1.00 0.29 H new ATOM 0 HG22 THR A 32 12.863 -5.503 -3.815 1.00 0.29 H new ATOM 0 HG23 THR A 32 13.252 -5.561 -2.079 1.00 0.29 H new ATOM 459 N ALA A 33 16.834 -5.476 -2.605 1.00 0.31 N ATOM 460 CA ALA A 33 17.650 -6.237 -1.665 1.00 0.32 C ATOM 461 C ALA A 33 18.527 -5.323 -0.798 1.00 0.34 C ATOM 462 O ALA A 33 19.214 -5.778 0.118 1.00 0.37 O ATOM 463 CB ALA A 33 18.509 -7.229 -2.425 1.00 0.37 C ATOM 0 H ALA A 33 17.112 -5.591 -3.580 1.00 0.31 H new ATOM 0 HA ALA A 33 16.980 -6.773 -0.993 1.00 0.32 H new ATOM 0 HB1 ALA A 33 19.118 -7.797 -1.722 1.00 0.37 H new ATOM 0 HB2 ALA A 33 17.869 -7.912 -2.984 1.00 0.37 H new ATOM 0 HB3 ALA A 33 19.159 -6.693 -3.117 1.00 0.37 H new ATOM 469 N ASP A 34 18.498 -4.038 -1.104 1.00 0.35 N ATOM 470 CA ASP A 34 19.305 -3.039 -0.401 1.00 0.40 C ATOM 471 C ASP A 34 18.588 -2.551 0.855 1.00 0.36 C ATOM 472 O ASP A 34 19.215 -2.114 1.821 1.00 0.43 O ATOM 473 CB ASP A 34 19.581 -1.859 -1.339 1.00 0.49 C ATOM 474 CG ASP A 34 20.300 -0.704 -0.670 1.00 1.29 C ATOM 475 OD1 ASP A 34 21.548 -0.693 -0.673 1.00 1.31 O ATOM 476 OD2 ASP A 34 19.617 0.214 -0.164 1.00 2.21 O ATOM 0 H ASP A 34 17.916 -3.651 -1.847 1.00 0.35 H new ATOM 0 HA ASP A 34 20.248 -3.496 -0.099 1.00 0.40 H new ATOM 0 HB2 ASP A 34 20.178 -2.208 -2.182 1.00 0.49 H new ATOM 0 HB3 ASP A 34 18.635 -1.500 -1.745 1.00 0.49 H new ATOM 481 N VAL A 35 17.272 -2.656 0.839 1.00 0.31 N ATOM 482 CA VAL A 35 16.442 -2.148 1.919 1.00 0.28 C ATOM 483 C VAL A 35 15.828 -3.303 2.710 1.00 0.25 C ATOM 484 O VAL A 35 15.343 -4.272 2.133 1.00 0.25 O ATOM 485 CB VAL A 35 15.349 -1.186 1.366 1.00 0.27 C ATOM 486 CG1 VAL A 35 15.234 -1.291 -0.149 1.00 0.28 C ATOM 487 CG2 VAL A 35 13.999 -1.443 2.012 1.00 0.26 C ATOM 0 H VAL A 35 16.749 -3.094 0.081 1.00 0.31 H new ATOM 0 HA VAL A 35 17.069 -1.574 2.602 1.00 0.28 H new ATOM 0 HB VAL A 35 15.660 -0.173 1.620 1.00 0.27 H new ATOM 0 HG11 VAL A 35 14.463 -0.607 -0.504 1.00 0.28 H new ATOM 0 HG12 VAL A 35 16.189 -1.029 -0.605 1.00 0.28 H new ATOM 0 HG13 VAL A 35 14.968 -2.312 -0.424 1.00 0.28 H new ATOM 0 HG21 VAL A 35 13.262 -0.753 1.601 1.00 0.26 H new ATOM 0 HG22 VAL A 35 13.688 -2.468 1.810 1.00 0.26 H new ATOM 0 HG23 VAL A 35 14.076 -1.292 3.089 1.00 0.26 H new ATOM 497 N THR A 36 15.869 -3.197 4.036 1.00 0.25 N ATOM 498 CA THR A 36 15.357 -4.247 4.904 1.00 0.27 C ATOM 499 C THR A 36 13.908 -3.969 5.243 1.00 0.23 C ATOM 500 O THR A 36 13.376 -2.947 4.824 1.00 0.20 O ATOM 501 CB THR A 36 16.159 -4.345 6.217 1.00 0.31 C ATOM 502 OG1 THR A 36 16.196 -3.067 6.872 1.00 0.30 O ATOM 503 CG2 THR A 36 17.573 -4.838 5.961 1.00 0.39 C ATOM 0 H THR A 36 16.253 -2.392 4.531 1.00 0.25 H new ATOM 0 HA THR A 36 15.452 -5.191 4.367 1.00 0.27 H new ATOM 0 HB THR A 36 15.659 -5.066 6.864 1.00 0.31 H new ATOM 0 HG1 THR A 36 16.959 -2.550 6.538 1.00 0.30 H new ATOM 0 HG21 THR A 36 18.114 -4.897 6.905 1.00 0.39 H new ATOM 0 HG22 THR A 36 17.536 -5.826 5.502 1.00 0.39 H new ATOM 0 HG23 THR A 36 18.084 -4.146 5.292 1.00 0.39 H new ATOM 511 N TYR A 37 13.265 -4.840 6.009 1.00 0.26 N ATOM 512 CA TYR A 37 11.890 -4.580 6.405 1.00 0.27 C ATOM 513 C TYR A 37 11.831 -3.303 7.240 1.00 0.23 C ATOM 514 O TYR A 37 10.851 -2.570 7.196 1.00 0.23 O ATOM 515 CB TYR A 37 11.272 -5.773 7.155 1.00 0.38 C ATOM 516 CG TYR A 37 11.673 -5.913 8.609 1.00 0.44 C ATOM 517 CD1 TYR A 37 12.865 -6.525 8.972 1.00 0.68 C ATOM 518 CD2 TYR A 37 10.838 -5.451 9.618 1.00 1.16 C ATOM 519 CE1 TYR A 37 13.215 -6.672 10.301 1.00 0.74 C ATOM 520 CE2 TYR A 37 11.182 -5.589 10.949 1.00 1.53 C ATOM 521 CZ TYR A 37 12.370 -6.201 11.285 1.00 1.12 C ATOM 522 OH TYR A 37 12.713 -6.350 12.611 1.00 1.50 O ATOM 0 H TYR A 37 13.662 -5.711 6.361 1.00 0.26 H new ATOM 0 HA TYR A 37 11.293 -4.441 5.504 1.00 0.27 H new ATOM 0 HB2 TYR A 37 10.187 -5.689 7.103 1.00 0.38 H new ATOM 0 HB3 TYR A 37 11.546 -6.689 6.632 1.00 0.38 H new ATOM 0 HD1 TYR A 37 13.529 -6.892 8.204 1.00 0.68 H new ATOM 0 HD2 TYR A 37 9.904 -4.976 9.358 1.00 1.16 H new ATOM 0 HE1 TYR A 37 14.145 -7.153 10.568 1.00 0.74 H new ATOM 0 HE2 TYR A 37 10.524 -5.219 11.721 1.00 1.53 H new ATOM 0 HH TYR A 37 12.011 -5.964 13.176 1.00 1.50 H new ATOM 532 N GLU A 38 12.917 -3.019 7.953 1.00 0.23 N ATOM 533 CA GLU A 38 13.012 -1.802 8.748 1.00 0.24 C ATOM 534 C GLU A 38 13.179 -0.589 7.845 1.00 0.24 C ATOM 535 O GLU A 38 12.475 0.404 7.999 1.00 0.26 O ATOM 536 CB GLU A 38 14.188 -1.880 9.716 1.00 0.29 C ATOM 537 CG GLU A 38 14.083 -3.015 10.713 1.00 0.35 C ATOM 538 CD GLU A 38 15.222 -3.010 11.705 1.00 0.67 C ATOM 539 OE1 GLU A 38 15.096 -2.350 12.760 1.00 0.93 O ATOM 540 OE2 GLU A 38 16.247 -3.667 11.436 1.00 0.96 O ATOM 0 H GLU A 38 13.743 -3.616 7.996 1.00 0.23 H new ATOM 0 HA GLU A 38 12.089 -1.701 9.319 1.00 0.24 H new ATOM 0 HB2 GLU A 38 15.110 -1.994 9.145 1.00 0.29 H new ATOM 0 HB3 GLU A 38 14.263 -0.938 10.259 1.00 0.29 H new ATOM 0 HG2 GLU A 38 13.137 -2.940 11.249 1.00 0.35 H new ATOM 0 HG3 GLU A 38 14.072 -3.965 10.179 1.00 0.35 H new ATOM 547 N ASP A 39 14.106 -0.678 6.893 1.00 0.24 N ATOM 548 CA ASP A 39 14.330 0.418 5.946 1.00 0.26 C ATOM 549 C ASP A 39 13.088 0.619 5.091 1.00 0.22 C ATOM 550 O ASP A 39 12.807 1.722 4.619 1.00 0.23 O ATOM 551 CB ASP A 39 15.532 0.145 5.032 1.00 0.31 C ATOM 552 CG ASP A 39 16.835 -0.035 5.779 1.00 0.61 C ATOM 553 OD1 ASP A 39 17.287 0.914 6.450 1.00 0.91 O ATOM 554 OD2 ASP A 39 17.418 -1.138 5.695 1.00 0.82 O ATOM 0 H ASP A 39 14.710 -1.488 6.755 1.00 0.24 H new ATOM 0 HA ASP A 39 14.541 1.317 6.525 1.00 0.26 H new ATOM 0 HB2 ASP A 39 15.334 -0.751 4.444 1.00 0.31 H new ATOM 0 HB3 ASP A 39 15.638 0.971 4.329 1.00 0.31 H new ATOM 559 N ALA A 40 12.360 -0.469 4.894 1.00 0.19 N ATOM 560 CA ALA A 40 11.116 -0.450 4.140 1.00 0.18 C ATOM 561 C ALA A 40 10.016 0.227 4.937 1.00 0.16 C ATOM 562 O ALA A 40 9.291 1.068 4.413 1.00 0.17 O ATOM 563 CB ALA A 40 10.700 -1.861 3.759 1.00 0.18 C ATOM 0 H ALA A 40 12.615 -1.390 5.252 1.00 0.19 H new ATOM 0 HA ALA A 40 11.281 0.121 3.226 1.00 0.18 H new ATOM 0 HB1 ALA A 40 9.767 -1.826 3.196 1.00 0.18 H new ATOM 0 HB2 ALA A 40 11.477 -2.316 3.146 1.00 0.18 H new ATOM 0 HB3 ALA A 40 10.556 -2.454 4.662 1.00 0.18 H new ATOM 569 N ILE A 41 9.891 -0.139 6.210 1.00 0.16 N ATOM 570 CA ILE A 41 8.934 0.516 7.091 1.00 0.18 C ATOM 571 C ILE A 41 9.291 1.980 7.231 1.00 0.20 C ATOM 572 O ILE A 41 8.416 2.846 7.245 1.00 0.21 O ATOM 573 CB ILE A 41 8.876 -0.134 8.493 1.00 0.22 C ATOM 574 CG1 ILE A 41 8.345 -1.564 8.406 1.00 0.24 C ATOM 575 CG2 ILE A 41 8.005 0.696 9.429 1.00 0.27 C ATOM 576 CD1 ILE A 41 8.445 -2.335 9.702 1.00 0.30 C ATOM 0 H ILE A 41 10.437 -0.880 6.650 1.00 0.16 H new ATOM 0 HA ILE A 41 7.949 0.404 6.637 1.00 0.18 H new ATOM 0 HB ILE A 41 9.889 -0.167 8.895 1.00 0.22 H new ATOM 0 HG12 ILE A 41 7.302 -1.535 8.092 1.00 0.24 H new ATOM 0 HG13 ILE A 41 8.896 -2.099 7.633 1.00 0.24 H new ATOM 0 HG21 ILE A 41 7.975 0.225 10.411 1.00 0.27 H new ATOM 0 HG22 ILE A 41 8.422 1.699 9.520 1.00 0.27 H new ATOM 0 HG23 ILE A 41 6.994 0.759 9.025 1.00 0.27 H new ATOM 0 HD11 ILE A 41 8.048 -3.340 9.559 1.00 0.30 H new ATOM 0 HD12 ILE A 41 9.489 -2.397 10.009 1.00 0.30 H new ATOM 0 HD13 ILE A 41 7.870 -1.824 10.474 1.00 0.30 H new ATOM 588 N LYS A 42 10.584 2.246 7.292 1.00 0.22 N ATOM 589 CA LYS A 42 11.078 3.603 7.388 1.00 0.28 C ATOM 590 C LYS A 42 10.648 4.405 6.169 1.00 0.28 C ATOM 591 O LYS A 42 10.428 5.612 6.251 1.00 0.37 O ATOM 592 CB LYS A 42 12.599 3.605 7.497 1.00 0.31 C ATOM 593 CG LYS A 42 13.185 4.981 7.751 1.00 0.85 C ATOM 594 CD LYS A 42 14.697 4.967 7.646 1.00 1.14 C ATOM 595 CE LYS A 42 15.275 6.357 7.832 1.00 1.46 C ATOM 596 NZ LYS A 42 16.735 6.391 7.571 1.00 2.32 N ATOM 0 H LYS A 42 11.313 1.533 7.276 1.00 0.22 H new ATOM 0 HA LYS A 42 10.658 4.063 8.283 1.00 0.28 H new ATOM 0 HB2 LYS A 42 12.898 2.936 8.304 1.00 0.31 H new ATOM 0 HB3 LYS A 42 13.022 3.203 6.576 1.00 0.31 H new ATOM 0 HG2 LYS A 42 12.776 5.691 7.032 1.00 0.85 H new ATOM 0 HG3 LYS A 42 12.891 5.326 8.742 1.00 0.85 H new ATOM 0 HD2 LYS A 42 15.110 4.295 8.399 1.00 1.14 H new ATOM 0 HD3 LYS A 42 14.993 4.575 6.673 1.00 1.14 H new ATOM 0 HE2 LYS A 42 14.770 7.052 7.161 1.00 1.46 H new ATOM 0 HE3 LYS A 42 15.080 6.698 8.849 1.00 1.46 H new ATOM 0 HZ1 LYS A 42 17.090 7.359 7.709 1.00 2.32 H new ATOM 0 HZ2 LYS A 42 17.220 5.747 8.228 1.00 2.32 H new ATOM 0 HZ3 LYS A 42 16.920 6.091 6.593 1.00 2.32 H new ATOM 610 N GLU A 43 10.496 3.712 5.050 1.00 0.22 N ATOM 611 CA GLU A 43 10.149 4.356 3.795 1.00 0.25 C ATOM 612 C GLU A 43 8.641 4.468 3.666 1.00 0.18 C ATOM 613 O GLU A 43 8.113 5.537 3.356 1.00 0.18 O ATOM 614 CB GLU A 43 10.738 3.588 2.606 1.00 0.33 C ATOM 615 CG GLU A 43 10.137 3.993 1.267 1.00 0.34 C ATOM 616 CD GLU A 43 10.994 3.604 0.085 1.00 0.55 C ATOM 617 OE1 GLU A 43 11.304 2.402 -0.053 1.00 1.02 O ATOM 618 OE2 GLU A 43 11.353 4.485 -0.718 1.00 0.94 O ATOM 0 H GLU A 43 10.608 2.700 4.987 1.00 0.22 H new ATOM 0 HA GLU A 43 10.576 5.359 3.791 1.00 0.25 H new ATOM 0 HB2 GLU A 43 11.815 3.750 2.576 1.00 0.33 H new ATOM 0 HB3 GLU A 43 10.580 2.520 2.759 1.00 0.33 H new ATOM 0 HG2 GLU A 43 9.155 3.531 1.163 1.00 0.34 H new ATOM 0 HG3 GLU A 43 9.984 5.072 1.257 1.00 0.34 H new ATOM 625 N LEU A 44 7.952 3.365 3.937 1.00 0.16 N ATOM 626 CA LEU A 44 6.501 3.339 3.850 1.00 0.15 C ATOM 627 C LEU A 44 5.911 4.382 4.788 1.00 0.14 C ATOM 628 O LEU A 44 4.941 5.049 4.451 1.00 0.16 O ATOM 629 CB LEU A 44 5.947 1.953 4.195 1.00 0.13 C ATOM 630 CG LEU A 44 4.445 1.779 3.942 1.00 0.15 C ATOM 631 CD1 LEU A 44 4.128 1.948 2.469 1.00 0.17 C ATOM 632 CD2 LEU A 44 3.973 0.421 4.420 1.00 0.14 C ATOM 0 H LEU A 44 8.376 2.481 4.218 1.00 0.16 H new ATOM 0 HA LEU A 44 6.218 3.569 2.823 1.00 0.15 H new ATOM 0 HB2 LEU A 44 6.488 1.206 3.614 1.00 0.13 H new ATOM 0 HB3 LEU A 44 6.150 1.747 5.246 1.00 0.13 H new ATOM 0 HG LEU A 44 3.918 2.549 4.505 1.00 0.15 H new ATOM 0 HD11 LEU A 44 3.057 1.821 2.310 1.00 0.17 H new ATOM 0 HD12 LEU A 44 4.427 2.945 2.144 1.00 0.17 H new ATOM 0 HD13 LEU A 44 4.672 1.200 1.892 1.00 0.17 H new ATOM 0 HD21 LEU A 44 2.904 0.320 4.230 1.00 0.14 H new ATOM 0 HD22 LEU A 44 4.512 -0.361 3.885 1.00 0.14 H new ATOM 0 HD23 LEU A 44 4.162 0.326 5.489 1.00 0.14 H new ATOM 644 N GLN A 45 6.524 4.523 5.962 1.00 0.14 N ATOM 645 CA GLN A 45 6.090 5.504 6.951 1.00 0.14 C ATOM 646 C GLN A 45 6.216 6.933 6.437 1.00 0.17 C ATOM 647 O GLN A 45 5.372 7.770 6.737 1.00 0.27 O ATOM 648 CB GLN A 45 6.882 5.333 8.245 1.00 0.16 C ATOM 649 CG GLN A 45 6.122 4.553 9.301 1.00 0.22 C ATOM 650 CD GLN A 45 5.100 5.412 10.014 1.00 0.36 C ATOM 651 OE1 GLN A 45 3.894 5.468 9.477 1.00 0.87 O flip ATOM 652 NE2 GLN A 45 5.393 6.027 11.037 1.00 0.44 N flip ATOM 0 H GLN A 45 7.328 3.966 6.251 1.00 0.14 H new ATOM 0 HA GLN A 45 5.033 5.324 7.148 1.00 0.14 H new ATOM 0 HB2 GLN A 45 7.820 4.822 8.027 1.00 0.16 H new ATOM 0 HB3 GLN A 45 7.139 6.316 8.641 1.00 0.16 H new ATOM 0 HG2 GLN A 45 5.621 3.705 8.835 1.00 0.22 H new ATOM 0 HG3 GLN A 45 6.825 4.147 10.028 1.00 0.22 H new ATOM 0 HE21 GLN A 45 6.335 5.958 11.421 1.00 0.44 H new ATOM 0 HE22 GLN A 45 4.694 6.606 11.502 1.00 0.44 H new ATOM 661 N LYS A 46 7.250 7.205 5.653 1.00 0.14 N ATOM 662 CA LYS A 46 7.467 8.550 5.130 1.00 0.17 C ATOM 663 C LYS A 46 6.420 8.896 4.076 1.00 0.18 C ATOM 664 O LYS A 46 5.849 9.985 4.091 1.00 0.21 O ATOM 665 CB LYS A 46 8.875 8.683 4.542 1.00 0.22 C ATOM 666 CG LYS A 46 9.980 8.576 5.580 1.00 0.27 C ATOM 667 CD LYS A 46 11.361 8.618 4.944 1.00 0.39 C ATOM 668 CE LYS A 46 12.460 8.521 5.993 1.00 0.49 C ATOM 669 NZ LYS A 46 12.469 9.694 6.905 1.00 1.31 N ATOM 0 H LYS A 46 7.948 6.519 5.366 1.00 0.14 H new ATOM 0 HA LYS A 46 7.370 9.252 5.958 1.00 0.17 H new ATOM 0 HB2 LYS A 46 9.020 7.909 3.788 1.00 0.22 H new ATOM 0 HB3 LYS A 46 8.958 9.643 4.033 1.00 0.22 H new ATOM 0 HG2 LYS A 46 9.885 9.392 6.297 1.00 0.27 H new ATOM 0 HG3 LYS A 46 9.865 7.647 6.138 1.00 0.27 H new ATOM 0 HD2 LYS A 46 11.461 7.797 4.234 1.00 0.39 H new ATOM 0 HD3 LYS A 46 11.475 9.544 4.380 1.00 0.39 H new ATOM 0 HE2 LYS A 46 12.324 7.610 6.576 1.00 0.49 H new ATOM 0 HE3 LYS A 46 13.427 8.441 5.497 1.00 0.49 H new ATOM 0 HZ1 LYS A 46 13.344 9.691 7.466 1.00 1.31 H new ATOM 0 HZ2 LYS A 46 12.420 10.569 6.345 1.00 1.31 H new ATOM 0 HZ3 LYS A 46 11.649 9.644 7.543 1.00 1.31 H new ATOM 683 N TRP A 47 6.171 7.970 3.160 1.00 0.16 N ATOM 684 CA TRP A 47 5.146 8.176 2.144 1.00 0.19 C ATOM 685 C TRP A 47 3.761 8.187 2.779 1.00 0.19 C ATOM 686 O TRP A 47 2.945 9.052 2.472 1.00 0.22 O ATOM 687 CB TRP A 47 5.249 7.108 1.054 1.00 0.20 C ATOM 688 CG TRP A 47 6.610 7.076 0.437 1.00 0.20 C ATOM 689 CD1 TRP A 47 7.467 6.018 0.390 1.00 0.18 C ATOM 690 CD2 TRP A 47 7.286 8.169 -0.192 1.00 0.30 C ATOM 691 NE1 TRP A 47 8.637 6.387 -0.226 1.00 0.24 N ATOM 692 CE2 TRP A 47 8.548 7.702 -0.592 1.00 0.32 C ATOM 693 CE3 TRP A 47 6.946 9.499 -0.459 1.00 0.41 C ATOM 694 CZ2 TRP A 47 9.471 8.514 -1.235 1.00 0.43 C ATOM 695 CZ3 TRP A 47 7.865 10.306 -1.101 1.00 0.52 C ATOM 696 CH2 TRP A 47 9.116 9.811 -1.484 1.00 0.52 C ATOM 0 H TRP A 47 6.659 7.077 3.099 1.00 0.16 H new ATOM 0 HA TRP A 47 5.308 9.147 1.676 1.00 0.19 H new ATOM 0 HB2 TRP A 47 5.019 6.131 1.479 1.00 0.20 H new ATOM 0 HB3 TRP A 47 4.504 7.303 0.282 1.00 0.20 H new ATOM 0 HD1 TRP A 47 7.257 5.033 0.780 1.00 0.18 H new ATOM 0 HE1 TRP A 47 9.441 5.780 -0.385 1.00 0.24 H new ATOM 0 HE3 TRP A 47 5.982 9.888 -0.168 1.00 0.41 H new ATOM 0 HZ2 TRP A 47 10.438 8.134 -1.529 1.00 0.43 H new ATOM 0 HZ3 TRP A 47 7.614 11.335 -1.311 1.00 0.52 H new ATOM 0 HH2 TRP A 47 9.814 10.465 -1.985 1.00 0.52 H new ATOM 707 N SER A 48 3.515 7.243 3.682 1.00 0.17 N ATOM 708 CA SER A 48 2.276 7.204 4.449 1.00 0.19 C ATOM 709 C SER A 48 2.085 8.515 5.211 1.00 0.20 C ATOM 710 O SER A 48 0.963 8.986 5.391 1.00 0.28 O ATOM 711 CB SER A 48 2.308 6.011 5.419 1.00 0.23 C ATOM 712 OG SER A 48 1.114 5.898 6.177 1.00 0.82 O ATOM 0 H SER A 48 4.165 6.488 3.901 1.00 0.17 H new ATOM 0 HA SER A 48 1.434 7.081 3.768 1.00 0.19 H new ATOM 0 HB2 SER A 48 2.465 5.092 4.855 1.00 0.23 H new ATOM 0 HB3 SER A 48 3.156 6.119 6.096 1.00 0.23 H new ATOM 0 HG SER A 48 1.179 5.126 6.777 1.00 0.82 H new ATOM 718 N GLN A 49 3.193 9.109 5.642 1.00 0.17 N ATOM 719 CA GLN A 49 3.164 10.388 6.336 1.00 0.17 C ATOM 720 C GLN A 49 2.733 11.497 5.383 1.00 0.18 C ATOM 721 O GLN A 49 1.780 12.223 5.654 1.00 0.21 O ATOM 722 CB GLN A 49 4.544 10.715 6.904 1.00 0.19 C ATOM 723 CG GLN A 49 4.509 11.781 7.980 1.00 0.23 C ATOM 724 CD GLN A 49 5.891 12.252 8.375 1.00 0.36 C ATOM 725 OE1 GLN A 49 6.513 11.705 9.285 1.00 0.53 O ATOM 726 NE2 GLN A 49 6.379 13.270 7.688 1.00 0.45 N ATOM 0 H GLN A 49 4.128 8.720 5.521 1.00 0.17 H new ATOM 0 HA GLN A 49 2.447 10.318 7.154 1.00 0.17 H new ATOM 0 HB2 GLN A 49 4.985 9.807 7.315 1.00 0.19 H new ATOM 0 HB3 GLN A 49 5.194 11.046 6.094 1.00 0.19 H new ATOM 0 HG2 GLN A 49 3.927 12.631 7.625 1.00 0.23 H new ATOM 0 HG3 GLN A 49 3.998 11.389 8.859 1.00 0.23 H new ATOM 0 HE21 GLN A 49 5.827 13.693 6.941 1.00 0.45 H new ATOM 0 HE22 GLN A 49 7.307 13.633 7.904 1.00 0.45 H new ATOM 735 N ARG A 50 3.439 11.608 4.262 1.00 0.16 N ATOM 736 CA ARG A 50 3.161 12.637 3.263 1.00 0.16 C ATOM 737 C ARG A 50 1.747 12.514 2.710 1.00 0.14 C ATOM 738 O ARG A 50 1.045 13.509 2.568 1.00 0.15 O ATOM 739 CB ARG A 50 4.163 12.553 2.120 1.00 0.15 C ATOM 740 CG ARG A 50 5.593 12.822 2.533 1.00 0.19 C ATOM 741 CD ARG A 50 6.528 12.694 1.347 1.00 0.20 C ATOM 742 NE ARG A 50 7.904 13.048 1.682 1.00 0.27 N ATOM 743 CZ ARG A 50 8.809 13.440 0.788 1.00 0.33 C ATOM 744 NH1 ARG A 50 8.476 13.544 -0.495 1.00 0.35 N ATOM 745 NH2 ARG A 50 10.042 13.737 1.180 1.00 0.42 N ATOM 0 H ARG A 50 4.215 10.992 4.020 1.00 0.16 H new ATOM 0 HA ARG A 50 3.253 13.604 3.758 1.00 0.16 H new ATOM 0 HB2 ARG A 50 4.106 11.561 1.673 1.00 0.15 H new ATOM 0 HB3 ARG A 50 3.878 13.268 1.348 1.00 0.15 H new ATOM 0 HG2 ARG A 50 5.672 13.823 2.958 1.00 0.19 H new ATOM 0 HG3 ARG A 50 5.889 12.121 3.313 1.00 0.19 H new ATOM 0 HD2 ARG A 50 6.500 11.670 0.974 1.00 0.20 H new ATOM 0 HD3 ARG A 50 6.177 13.337 0.540 1.00 0.20 H new ATOM 0 HE ARG A 50 8.189 12.992 2.660 1.00 0.27 H new ATOM 0 HH11 ARG A 50 7.526 13.323 -0.795 1.00 0.35 H new ATOM 0 HH12 ARG A 50 9.170 13.844 -1.179 1.00 0.35 H new ATOM 0 HH21 ARG A 50 10.295 13.665 2.165 1.00 0.42 H new ATOM 0 HH22 ARG A 50 10.736 14.037 0.496 1.00 0.42 H new ATOM 759 N ILE A 51 1.342 11.297 2.383 1.00 0.13 N ATOM 760 CA ILE A 51 -0.009 11.044 1.902 1.00 0.13 C ATOM 761 C ILE A 51 -1.044 11.473 2.944 1.00 0.16 C ATOM 762 O ILE A 51 -2.071 12.071 2.611 1.00 0.20 O ATOM 763 CB ILE A 51 -0.198 9.550 1.558 1.00 0.13 C ATOM 764 CG1 ILE A 51 0.747 9.142 0.424 1.00 0.12 C ATOM 765 CG2 ILE A 51 -1.638 9.264 1.170 1.00 0.15 C ATOM 766 CD1 ILE A 51 0.743 7.656 0.137 1.00 0.13 C ATOM 0 H ILE A 51 1.931 10.466 2.442 1.00 0.13 H new ATOM 0 HA ILE A 51 -0.157 11.633 0.997 1.00 0.13 H new ATOM 0 HB ILE A 51 0.041 8.963 2.444 1.00 0.13 H new ATOM 0 HG12 ILE A 51 0.467 9.679 -0.482 1.00 0.12 H new ATOM 0 HG13 ILE A 51 1.761 9.452 0.678 1.00 0.12 H new ATOM 0 HG21 ILE A 51 -1.747 8.206 0.932 1.00 0.15 H new ATOM 0 HG22 ILE A 51 -2.296 9.519 2.001 1.00 0.15 H new ATOM 0 HG23 ILE A 51 -1.906 9.861 0.298 1.00 0.15 H new ATOM 0 HD11 ILE A 51 1.435 7.441 -0.677 1.00 0.13 H new ATOM 0 HD12 ILE A 51 1.052 7.112 1.030 1.00 0.13 H new ATOM 0 HD13 ILE A 51 -0.261 7.343 -0.148 1.00 0.13 H new ATOM 778 N ALA A 52 -0.753 11.190 4.210 1.00 0.16 N ATOM 779 CA ALA A 52 -1.657 11.528 5.302 1.00 0.20 C ATOM 780 C ALA A 52 -1.693 13.033 5.557 1.00 0.22 C ATOM 781 O ALA A 52 -2.750 13.593 5.854 1.00 0.27 O ATOM 782 CB ALA A 52 -1.253 10.791 6.568 1.00 0.21 C ATOM 0 H ALA A 52 0.106 10.725 4.505 1.00 0.16 H new ATOM 0 HA ALA A 52 -2.660 11.216 5.010 1.00 0.20 H new ATOM 0 HB1 ALA A 52 -1.937 11.053 7.375 1.00 0.21 H new ATOM 0 HB2 ALA A 52 -1.294 9.716 6.392 1.00 0.21 H new ATOM 0 HB3 ALA A 52 -0.238 11.075 6.846 1.00 0.21 H new ATOM 788 N SER A 53 -0.540 13.682 5.449 1.00 0.22 N ATOM 789 CA SER A 53 -0.453 15.117 5.688 1.00 0.26 C ATOM 790 C SER A 53 -0.967 15.902 4.486 1.00 0.28 C ATOM 791 O SER A 53 -1.530 16.989 4.630 1.00 0.35 O ATOM 792 CB SER A 53 0.996 15.508 5.991 1.00 0.28 C ATOM 793 OG SER A 53 1.866 15.093 4.950 1.00 0.26 O ATOM 0 H SER A 53 0.344 13.240 5.199 1.00 0.22 H new ATOM 0 HA SER A 53 -1.079 15.361 6.547 1.00 0.26 H new ATOM 0 HB2 SER A 53 1.065 16.588 6.118 1.00 0.28 H new ATOM 0 HB3 SER A 53 1.309 15.056 6.932 1.00 0.28 H new ATOM 0 HG SER A 53 1.362 14.572 4.291 1.00 0.26 H new ATOM 799 N GLY A 54 -0.799 15.330 3.303 1.00 0.25 N ATOM 800 CA GLY A 54 -1.228 15.988 2.090 1.00 0.28 C ATOM 801 C GLY A 54 -0.053 16.511 1.296 1.00 0.26 C ATOM 802 O GLY A 54 -0.229 17.162 0.266 1.00 0.30 O ATOM 0 H GLY A 54 -0.370 14.415 3.163 1.00 0.25 H new ATOM 0 HA2 GLY A 54 -1.799 15.289 1.479 1.00 0.28 H new ATOM 0 HA3 GLY A 54 -1.896 16.813 2.339 1.00 0.28 H new ATOM 806 N GLU A 55 1.149 16.233 1.795 1.00 0.23 N ATOM 807 CA GLU A 55 2.381 16.620 1.137 1.00 0.23 C ATOM 808 C GLU A 55 2.424 16.082 -0.295 1.00 0.20 C ATOM 809 O GLU A 55 2.747 16.811 -1.231 1.00 0.24 O ATOM 810 CB GLU A 55 3.561 16.107 1.955 1.00 0.24 C ATOM 811 CG GLU A 55 4.682 17.113 2.052 1.00 0.42 C ATOM 812 CD GLU A 55 5.774 16.683 3.002 1.00 0.46 C ATOM 813 OE1 GLU A 55 6.672 15.928 2.576 1.00 0.54 O ATOM 814 OE2 GLU A 55 5.741 17.090 4.177 1.00 0.65 O ATOM 0 H GLU A 55 1.290 15.730 2.671 1.00 0.23 H new ATOM 0 HA GLU A 55 2.436 17.707 1.075 1.00 0.23 H new ATOM 0 HB2 GLU A 55 3.219 15.852 2.958 1.00 0.24 H new ATOM 0 HB3 GLU A 55 3.939 15.190 1.504 1.00 0.24 H new ATOM 0 HG2 GLU A 55 5.109 17.270 1.062 1.00 0.42 H new ATOM 0 HG3 GLU A 55 4.277 18.070 2.380 1.00 0.42 H new ATOM 821 N VAL A 56 2.086 14.809 -0.453 1.00 0.17 N ATOM 822 CA VAL A 56 1.896 14.221 -1.773 1.00 0.15 C ATOM 823 C VAL A 56 0.630 13.390 -1.778 1.00 0.15 C ATOM 824 O VAL A 56 0.185 12.918 -0.730 1.00 0.19 O ATOM 825 CB VAL A 56 3.072 13.327 -2.238 1.00 0.15 C ATOM 826 CG1 VAL A 56 4.290 14.162 -2.586 1.00 0.18 C ATOM 827 CG2 VAL A 56 3.427 12.284 -1.193 1.00 0.15 C ATOM 0 H VAL A 56 1.937 14.161 0.320 1.00 0.17 H new ATOM 0 HA VAL A 56 1.834 15.057 -2.470 1.00 0.15 H new ATOM 0 HB VAL A 56 2.744 12.805 -3.137 1.00 0.15 H new ATOM 0 HG11 VAL A 56 5.100 13.508 -2.909 1.00 0.18 H new ATOM 0 HG12 VAL A 56 4.039 14.853 -3.390 1.00 0.18 H new ATOM 0 HG13 VAL A 56 4.607 14.726 -1.709 1.00 0.18 H new ATOM 0 HG21 VAL A 56 4.256 11.675 -1.554 1.00 0.15 H new ATOM 0 HG22 VAL A 56 3.717 12.781 -0.267 1.00 0.15 H new ATOM 0 HG23 VAL A 56 2.563 11.646 -1.007 1.00 0.15 H new ATOM 837 N SER A 57 0.051 13.214 -2.950 1.00 0.13 N ATOM 838 CA SER A 57 -1.143 12.412 -3.081 1.00 0.15 C ATOM 839 C SER A 57 -0.765 10.941 -3.047 1.00 0.15 C ATOM 840 O SER A 57 0.378 10.593 -3.367 1.00 0.18 O ATOM 841 CB SER A 57 -1.864 12.737 -4.389 1.00 0.22 C ATOM 842 OG SER A 57 -1.894 14.138 -4.619 1.00 0.97 O ATOM 0 H SER A 57 0.390 13.617 -3.823 1.00 0.13 H new ATOM 0 HA SER A 57 -1.816 12.635 -2.253 1.00 0.15 H new ATOM 0 HB2 SER A 57 -1.362 12.239 -5.219 1.00 0.22 H new ATOM 0 HB3 SER A 57 -2.882 12.349 -4.354 1.00 0.22 H new ATOM 0 HG SER A 57 -1.105 14.401 -5.137 1.00 0.97 H new ATOM 848 N PHE A 58 -1.700 10.084 -2.665 1.00 0.16 N ATOM 849 CA PHE A 58 -1.449 8.651 -2.649 1.00 0.16 C ATOM 850 C PHE A 58 -0.959 8.212 -4.027 1.00 0.18 C ATOM 851 O PHE A 58 -0.025 7.418 -4.152 1.00 0.19 O ATOM 852 CB PHE A 58 -2.723 7.894 -2.270 1.00 0.18 C ATOM 853 CG PHE A 58 -2.473 6.559 -1.631 1.00 0.17 C ATOM 854 CD1 PHE A 58 -1.872 5.535 -2.340 1.00 0.18 C ATOM 855 CD2 PHE A 58 -2.840 6.332 -0.315 1.00 0.19 C ATOM 856 CE1 PHE A 58 -1.640 4.312 -1.751 1.00 0.20 C ATOM 857 CE2 PHE A 58 -2.613 5.109 0.281 1.00 0.21 C ATOM 858 CZ PHE A 58 -2.010 4.099 -0.438 1.00 0.22 C ATOM 0 H PHE A 58 -2.636 10.355 -2.363 1.00 0.16 H new ATOM 0 HA PHE A 58 -0.685 8.425 -1.906 1.00 0.16 H new ATOM 0 HB2 PHE A 58 -3.309 8.509 -1.586 1.00 0.18 H new ATOM 0 HB3 PHE A 58 -3.327 7.749 -3.166 1.00 0.18 H new ATOM 0 HD1 PHE A 58 -1.581 5.696 -3.368 1.00 0.18 H new ATOM 0 HD2 PHE A 58 -3.310 7.122 0.252 1.00 0.19 H new ATOM 0 HE1 PHE A 58 -1.169 3.521 -2.315 1.00 0.20 H new ATOM 0 HE2 PHE A 58 -2.907 4.943 1.307 1.00 0.21 H new ATOM 0 HZ PHE A 58 -1.827 3.141 0.026 1.00 0.22 H new ATOM 868 N GLU A 59 -1.577 8.791 -5.051 1.00 0.20 N ATOM 869 CA GLU A 59 -1.246 8.497 -6.440 1.00 0.22 C ATOM 870 C GLU A 59 0.223 8.779 -6.741 1.00 0.24 C ATOM 871 O GLU A 59 0.898 7.966 -7.375 1.00 0.31 O ATOM 872 CB GLU A 59 -2.126 9.337 -7.368 1.00 0.27 C ATOM 873 CG GLU A 59 -3.609 9.208 -7.071 1.00 0.36 C ATOM 874 CD GLU A 59 -4.472 10.058 -7.976 1.00 0.87 C ATOM 875 OE1 GLU A 59 -4.577 11.276 -7.730 1.00 0.96 O ATOM 876 OE2 GLU A 59 -5.059 9.509 -8.930 1.00 1.72 O ATOM 0 H GLU A 59 -2.323 9.478 -4.941 1.00 0.20 H new ATOM 0 HA GLU A 59 -1.428 7.436 -6.609 1.00 0.22 H new ATOM 0 HB2 GLU A 59 -1.836 10.384 -7.283 1.00 0.27 H new ATOM 0 HB3 GLU A 59 -1.942 9.038 -8.400 1.00 0.27 H new ATOM 0 HG2 GLU A 59 -3.904 8.164 -7.173 1.00 0.36 H new ATOM 0 HG3 GLU A 59 -3.792 9.491 -6.034 1.00 0.36 H new ATOM 883 N GLU A 60 0.719 9.922 -6.272 1.00 0.23 N ATOM 884 CA GLU A 60 2.080 10.350 -6.581 1.00 0.24 C ATOM 885 C GLU A 60 3.104 9.386 -5.997 1.00 0.23 C ATOM 886 O GLU A 60 4.049 8.984 -6.673 1.00 0.26 O ATOM 887 CB GLU A 60 2.328 11.764 -6.053 1.00 0.25 C ATOM 888 CG GLU A 60 1.391 12.797 -6.653 1.00 0.29 C ATOM 889 CD GLU A 60 1.534 14.157 -6.010 1.00 1.18 C ATOM 890 OE1 GLU A 60 2.532 14.850 -6.292 1.00 1.24 O ATOM 891 OE2 GLU A 60 0.650 14.536 -5.215 1.00 2.09 O ATOM 0 H GLU A 60 0.199 10.567 -5.677 1.00 0.23 H new ATOM 0 HA GLU A 60 2.193 10.352 -7.665 1.00 0.24 H new ATOM 0 HB2 GLU A 60 2.215 11.766 -4.969 1.00 0.25 H new ATOM 0 HB3 GLU A 60 3.358 12.049 -6.266 1.00 0.25 H new ATOM 0 HG2 GLU A 60 1.587 12.882 -7.722 1.00 0.29 H new ATOM 0 HG3 GLU A 60 0.362 12.455 -6.544 1.00 0.29 H new ATOM 898 N ALA A 61 2.907 9.005 -4.745 1.00 0.22 N ATOM 899 CA ALA A 61 3.833 8.101 -4.085 1.00 0.23 C ATOM 900 C ALA A 61 3.726 6.695 -4.664 1.00 0.22 C ATOM 901 O ALA A 61 4.735 6.050 -4.939 1.00 0.26 O ATOM 902 CB ALA A 61 3.582 8.081 -2.585 1.00 0.24 C ATOM 0 H ALA A 61 2.120 9.305 -4.170 1.00 0.22 H new ATOM 0 HA ALA A 61 4.845 8.464 -4.261 1.00 0.23 H new ATOM 0 HB1 ALA A 61 4.285 7.398 -2.108 1.00 0.24 H new ATOM 0 HB2 ALA A 61 3.718 9.084 -2.180 1.00 0.24 H new ATOM 0 HB3 ALA A 61 2.563 7.746 -2.391 1.00 0.24 H new ATOM 908 N ALA A 62 2.497 6.239 -4.875 1.00 0.20 N ATOM 909 CA ALA A 62 2.248 4.880 -5.338 1.00 0.20 C ATOM 910 C ALA A 62 2.843 4.622 -6.723 1.00 0.21 C ATOM 911 O ALA A 62 3.489 3.603 -6.942 1.00 0.24 O ATOM 912 CB ALA A 62 0.756 4.596 -5.348 1.00 0.20 C ATOM 0 H ALA A 62 1.653 6.794 -4.732 1.00 0.20 H new ATOM 0 HA ALA A 62 2.743 4.204 -4.641 1.00 0.20 H new ATOM 0 HB1 ALA A 62 0.582 3.578 -5.696 1.00 0.20 H new ATOM 0 HB2 ALA A 62 0.357 4.708 -4.340 1.00 0.20 H new ATOM 0 HB3 ALA A 62 0.256 5.298 -6.016 1.00 0.20 H new ATOM 918 N SER A 63 2.629 5.549 -7.644 1.00 0.21 N ATOM 919 CA SER A 63 3.089 5.399 -9.024 1.00 0.23 C ATOM 920 C SER A 63 4.609 5.225 -9.131 1.00 0.24 C ATOM 921 O SER A 63 5.114 4.741 -10.146 1.00 0.27 O ATOM 922 CB SER A 63 2.646 6.608 -9.849 1.00 0.26 C ATOM 923 OG SER A 63 1.242 6.799 -9.755 1.00 1.00 O ATOM 0 H SER A 63 2.135 6.423 -7.462 1.00 0.21 H new ATOM 0 HA SER A 63 2.637 4.488 -9.415 1.00 0.23 H new ATOM 0 HB2 SER A 63 3.163 7.501 -9.499 1.00 0.26 H new ATOM 0 HB3 SER A 63 2.928 6.465 -10.892 1.00 0.26 H new ATOM 0 HG SER A 63 1.028 7.241 -8.907 1.00 1.00 H new ATOM 929 N GLN A 64 5.340 5.621 -8.098 1.00 0.24 N ATOM 930 CA GLN A 64 6.791 5.531 -8.126 1.00 0.27 C ATOM 931 C GLN A 64 7.288 4.472 -7.162 1.00 0.26 C ATOM 932 O GLN A 64 8.159 3.671 -7.484 1.00 0.29 O ATOM 933 CB GLN A 64 7.397 6.875 -7.742 1.00 0.31 C ATOM 934 CG GLN A 64 6.784 8.035 -8.494 1.00 0.35 C ATOM 935 CD GLN A 64 7.286 9.382 -8.013 1.00 0.42 C ATOM 936 OE1 GLN A 64 8.309 9.884 -8.481 1.00 0.61 O ATOM 937 NE2 GLN A 64 6.554 9.984 -7.093 1.00 0.35 N ATOM 0 H GLN A 64 4.954 6.005 -7.236 1.00 0.24 H new ATOM 0 HA GLN A 64 7.094 5.258 -9.137 1.00 0.27 H new ATOM 0 HB2 GLN A 64 7.267 7.034 -6.671 1.00 0.31 H new ATOM 0 HB3 GLN A 64 8.470 6.852 -7.933 1.00 0.31 H new ATOM 0 HG2 GLN A 64 7.004 7.929 -9.556 1.00 0.35 H new ATOM 0 HG3 GLN A 64 5.700 7.998 -8.388 1.00 0.35 H new ATOM 0 HE21 GLN A 64 5.714 9.531 -6.733 1.00 0.35 H new ATOM 0 HE22 GLN A 64 6.829 10.902 -6.742 1.00 0.35 H new ATOM 946 N ARG A 65 6.732 4.502 -5.971 1.00 0.26 N ATOM 947 CA ARG A 65 7.230 3.691 -4.873 1.00 0.28 C ATOM 948 C ARG A 65 6.534 2.337 -4.759 1.00 0.27 C ATOM 949 O ARG A 65 7.176 1.337 -4.441 1.00 0.32 O ATOM 950 CB ARG A 65 7.080 4.477 -3.579 1.00 0.33 C ATOM 951 CG ARG A 65 7.719 5.856 -3.651 1.00 0.37 C ATOM 952 CD ARG A 65 9.178 5.767 -4.084 1.00 0.43 C ATOM 953 NE ARG A 65 9.891 7.036 -3.957 1.00 0.58 N ATOM 954 CZ ARG A 65 10.529 7.648 -4.960 1.00 0.66 C ATOM 955 NH1 ARG A 65 10.526 7.126 -6.182 1.00 0.59 N ATOM 956 NH2 ARG A 65 11.185 8.781 -4.734 1.00 0.86 N ATOM 0 H ARG A 65 5.928 5.083 -5.733 1.00 0.26 H new ATOM 0 HA ARG A 65 8.279 3.471 -5.071 1.00 0.28 H new ATOM 0 HB2 ARG A 65 6.021 4.584 -3.345 1.00 0.33 H new ATOM 0 HB3 ARG A 65 7.532 3.914 -2.762 1.00 0.33 H new ATOM 0 HG2 ARG A 65 7.166 6.479 -4.354 1.00 0.37 H new ATOM 0 HG3 ARG A 65 7.655 6.340 -2.677 1.00 0.37 H new ATOM 0 HD2 ARG A 65 9.684 5.011 -3.483 1.00 0.43 H new ATOM 0 HD3 ARG A 65 9.224 5.433 -5.121 1.00 0.43 H new ATOM 0 HE ARG A 65 9.903 7.485 -3.041 1.00 0.58 H new ATOM 0 HH11 ARG A 65 10.034 6.251 -6.361 1.00 0.59 H new ATOM 0 HH12 ARG A 65 11.016 7.601 -6.941 1.00 0.59 H new ATOM 0 HH21 ARG A 65 11.201 9.183 -3.797 1.00 0.86 H new ATOM 0 HH22 ARG A 65 11.672 9.249 -5.498 1.00 0.86 H new ATOM 970 N SER A 66 5.232 2.309 -4.999 1.00 0.25 N ATOM 971 CA SER A 66 4.466 1.070 -4.888 1.00 0.25 C ATOM 972 C SER A 66 4.944 0.043 -5.906 1.00 0.23 C ATOM 973 O SER A 66 4.982 0.310 -7.106 1.00 0.24 O ATOM 974 CB SER A 66 2.968 1.325 -5.086 1.00 0.24 C ATOM 975 OG SER A 66 2.199 0.165 -4.797 1.00 0.82 O ATOM 0 H SER A 66 4.683 3.124 -5.271 1.00 0.25 H new ATOM 0 HA SER A 66 4.626 0.679 -3.883 1.00 0.25 H new ATOM 0 HB2 SER A 66 2.649 2.144 -4.441 1.00 0.24 H new ATOM 0 HB3 SER A 66 2.784 1.638 -6.114 1.00 0.24 H new ATOM 0 HG SER A 66 1.248 0.361 -4.931 1.00 0.82 H new ATOM 981 N ASP A 67 5.312 -1.127 -5.412 1.00 0.25 N ATOM 982 CA ASP A 67 5.743 -2.223 -6.264 1.00 0.28 C ATOM 983 C ASP A 67 4.547 -2.964 -6.853 1.00 0.31 C ATOM 984 O ASP A 67 4.685 -3.781 -7.757 1.00 0.48 O ATOM 985 CB ASP A 67 6.637 -3.181 -5.479 1.00 0.39 C ATOM 986 CG ASP A 67 6.978 -4.425 -6.267 1.00 1.59 C ATOM 987 OD1 ASP A 67 7.793 -4.331 -7.203 1.00 1.91 O ATOM 988 OD2 ASP A 67 6.446 -5.499 -5.941 1.00 2.28 O ATOM 0 H ASP A 67 5.321 -1.344 -4.415 1.00 0.25 H new ATOM 0 HA ASP A 67 6.317 -1.807 -7.092 1.00 0.28 H new ATOM 0 HB2 ASP A 67 7.557 -2.668 -5.198 1.00 0.39 H new ATOM 0 HB3 ASP A 67 6.136 -3.466 -4.554 1.00 0.39 H new ATOM 993 N CYS A 68 3.364 -2.666 -6.359 1.00 0.24 N ATOM 994 CA CYS A 68 2.175 -3.311 -6.879 1.00 0.26 C ATOM 995 C CYS A 68 1.754 -2.637 -8.171 1.00 0.27 C ATOM 996 O CYS A 68 2.099 -1.480 -8.426 1.00 0.38 O ATOM 997 CB CYS A 68 1.039 -3.265 -5.863 1.00 0.29 C ATOM 998 SG CYS A 68 -0.425 -4.210 -6.347 1.00 1.52 S ATOM 0 H CYS A 68 3.200 -1.993 -5.610 1.00 0.24 H new ATOM 0 HA CYS A 68 2.405 -4.358 -7.076 1.00 0.26 H new ATOM 0 HB2 CYS A 68 1.404 -3.645 -4.909 1.00 0.29 H new ATOM 0 HB3 CYS A 68 0.751 -2.226 -5.703 1.00 0.29 H new ATOM 0 HG CYS A 68 -0.658 -5.133 -5.462 1.00 1.52 H new ATOM 1004 N GLY A 69 0.985 -3.373 -8.963 1.00 0.26 N ATOM 1005 CA GLY A 69 0.582 -2.923 -10.286 1.00 0.25 C ATOM 1006 C GLY A 69 -0.216 -1.635 -10.259 1.00 0.22 C ATOM 1007 O GLY A 69 -0.428 -1.006 -11.298 1.00 0.25 O ATOM 0 H GLY A 69 0.626 -4.293 -8.707 1.00 0.26 H new ATOM 0 HA2 GLY A 69 1.471 -2.780 -10.901 1.00 0.25 H new ATOM 0 HA3 GLY A 69 -0.013 -3.702 -10.762 1.00 0.25 H new ATOM 1011 N SER A 70 -0.647 -1.235 -9.071 1.00 0.21 N ATOM 1012 CA SER A 70 -1.365 0.010 -8.897 1.00 0.24 C ATOM 1013 C SER A 70 -0.440 1.212 -9.115 1.00 0.22 C ATOM 1014 O SER A 70 -0.909 2.344 -9.199 1.00 0.25 O ATOM 1015 CB SER A 70 -1.997 0.052 -7.505 1.00 0.31 C ATOM 1016 OG SER A 70 -1.011 -0.097 -6.495 1.00 0.32 O ATOM 0 H SER A 70 -0.508 -1.763 -8.209 1.00 0.21 H new ATOM 0 HA SER A 70 -2.157 0.065 -9.644 1.00 0.24 H new ATOM 0 HB2 SER A 70 -2.523 0.997 -7.369 1.00 0.31 H new ATOM 0 HB3 SER A 70 -2.739 -0.741 -7.414 1.00 0.31 H new ATOM 0 HG SER A 70 -1.327 0.318 -5.665 1.00 0.32 H new ATOM 1022 N TYR A 71 0.872 0.967 -9.213 1.00 0.20 N ATOM 1023 CA TYR A 71 1.827 2.031 -9.551 1.00 0.20 C ATOM 1024 C TYR A 71 1.442 2.660 -10.892 1.00 0.22 C ATOM 1025 O TYR A 71 1.662 3.844 -11.122 1.00 0.29 O ATOM 1026 CB TYR A 71 3.277 1.497 -9.624 1.00 0.21 C ATOM 1027 CG TYR A 71 3.616 0.776 -10.914 1.00 0.25 C ATOM 1028 CD1 TYR A 71 3.175 -0.518 -11.147 1.00 0.27 C ATOM 1029 CD2 TYR A 71 4.382 1.396 -11.894 1.00 0.35 C ATOM 1030 CE1 TYR A 71 3.484 -1.175 -12.320 1.00 0.36 C ATOM 1031 CE2 TYR A 71 4.694 0.745 -13.070 1.00 0.44 C ATOM 1032 CZ TYR A 71 4.244 -0.540 -13.278 1.00 0.43 C ATOM 1033 OH TYR A 71 4.554 -1.193 -14.447 1.00 0.54 O ATOM 0 H TYR A 71 1.295 0.051 -9.065 1.00 0.20 H new ATOM 0 HA TYR A 71 1.786 2.781 -8.761 1.00 0.20 H new ATOM 0 HB2 TYR A 71 3.965 2.333 -9.498 1.00 0.21 H new ATOM 0 HB3 TYR A 71 3.443 0.818 -8.788 1.00 0.21 H new ATOM 0 HD1 TYR A 71 2.580 -1.019 -10.398 1.00 0.27 H new ATOM 0 HD2 TYR A 71 4.738 2.403 -11.733 1.00 0.35 H new ATOM 0 HE1 TYR A 71 3.132 -2.182 -12.487 1.00 0.36 H new ATOM 0 HE2 TYR A 71 5.288 1.241 -13.824 1.00 0.44 H new ATOM 0 HH TYR A 71 5.095 -0.606 -15.016 1.00 0.54 H new ATOM 1043 N ALA A 72 0.850 1.856 -11.768 1.00 0.24 N ATOM 1044 CA ALA A 72 0.426 2.331 -13.077 1.00 0.30 C ATOM 1045 C ALA A 72 -1.043 2.733 -13.052 1.00 0.36 C ATOM 1046 O ALA A 72 -1.613 3.121 -14.069 1.00 0.49 O ATOM 1047 CB ALA A 72 0.669 1.255 -14.125 1.00 0.38 C ATOM 0 H ALA A 72 0.653 0.871 -11.594 1.00 0.24 H new ATOM 0 HA ALA A 72 1.014 3.212 -13.337 1.00 0.30 H new ATOM 0 HB1 ALA A 72 0.349 1.619 -15.101 1.00 0.38 H new ATOM 0 HB2 ALA A 72 1.731 1.013 -14.158 1.00 0.38 H new ATOM 0 HB3 ALA A 72 0.101 0.361 -13.867 1.00 0.38 H new ATOM 1053 N SER A 73 -1.649 2.640 -11.877 1.00 0.32 N ATOM 1054 CA SER A 73 -3.072 2.901 -11.728 1.00 0.44 C ATOM 1055 C SER A 73 -3.323 4.109 -10.826 1.00 0.49 C ATOM 1056 O SER A 73 -4.465 4.506 -10.617 1.00 0.71 O ATOM 1057 CB SER A 73 -3.755 1.665 -11.142 1.00 0.47 C ATOM 1058 OG SER A 73 -3.309 0.485 -11.795 1.00 0.62 O ATOM 0 H SER A 73 -1.175 2.385 -11.011 1.00 0.32 H new ATOM 0 HA SER A 73 -3.487 3.124 -12.711 1.00 0.44 H new ATOM 0 HB2 SER A 73 -3.542 1.598 -10.075 1.00 0.47 H new ATOM 0 HB3 SER A 73 -4.836 1.757 -11.246 1.00 0.47 H new ATOM 0 HG SER A 73 -3.757 -0.294 -11.404 1.00 0.62 H new ATOM 1064 N GLY A 74 -2.253 4.691 -10.299 1.00 0.41 N ATOM 1065 CA GLY A 74 -2.392 5.809 -9.385 1.00 0.54 C ATOM 1066 C GLY A 74 -2.590 5.357 -7.952 1.00 0.45 C ATOM 1067 O GLY A 74 -3.093 6.104 -7.114 1.00 0.49 O ATOM 0 H GLY A 74 -1.291 4.409 -10.488 1.00 0.41 H new ATOM 0 HA2 GLY A 74 -1.504 6.438 -9.446 1.00 0.54 H new ATOM 0 HA3 GLY A 74 -3.239 6.423 -9.691 1.00 0.54 H new ATOM 1071 N GLY A 75 -2.207 4.120 -7.673 1.00 0.35 N ATOM 1072 CA GLY A 75 -2.326 3.584 -6.331 1.00 0.32 C ATOM 1073 C GLY A 75 -3.687 2.983 -6.063 1.00 0.20 C ATOM 1074 O GLY A 75 -3.815 2.037 -5.279 1.00 0.21 O ATOM 0 H GLY A 75 -1.813 3.473 -8.356 1.00 0.35 H new ATOM 0 HA2 GLY A 75 -1.561 2.823 -6.179 1.00 0.32 H new ATOM 0 HA3 GLY A 75 -2.135 4.378 -5.609 1.00 0.32 H new ATOM 1078 N ASP A 76 -4.700 3.509 -6.731 1.00 0.35 N ATOM 1079 CA ASP A 76 -6.070 3.089 -6.496 1.00 0.39 C ATOM 1080 C ASP A 76 -6.450 1.928 -7.383 1.00 0.32 C ATOM 1081 O ASP A 76 -5.999 1.813 -8.523 1.00 0.36 O ATOM 1082 CB ASP A 76 -7.064 4.236 -6.690 1.00 0.63 C ATOM 1083 CG ASP A 76 -7.063 4.807 -8.092 1.00 0.77 C ATOM 1084 OD1 ASP A 76 -6.127 5.553 -8.435 1.00 1.65 O ATOM 1085 OD2 ASP A 76 -8.026 4.543 -8.844 1.00 0.80 O ATOM 0 H ASP A 76 -4.598 4.231 -7.444 1.00 0.35 H new ATOM 0 HA ASP A 76 -6.120 2.769 -5.455 1.00 0.39 H new ATOM 0 HB2 ASP A 76 -8.067 3.881 -6.452 1.00 0.63 H new ATOM 0 HB3 ASP A 76 -6.831 5.032 -5.982 1.00 0.63 H new ATOM 1090 N LEU A 77 -7.266 1.058 -6.828 1.00 0.32 N ATOM 1091 CA LEU A 77 -7.761 -0.102 -7.536 1.00 0.30 C ATOM 1092 C LEU A 77 -9.220 0.095 -7.906 1.00 0.32 C ATOM 1093 O LEU A 77 -9.822 1.108 -7.551 1.00 0.35 O ATOM 1094 CB LEU A 77 -7.584 -1.348 -6.668 1.00 0.32 C ATOM 1095 CG LEU A 77 -6.417 -2.259 -7.054 1.00 0.54 C ATOM 1096 CD1 LEU A 77 -5.161 -1.447 -7.343 1.00 0.94 C ATOM 1097 CD2 LEU A 77 -6.162 -3.272 -5.947 1.00 0.94 C ATOM 0 H LEU A 77 -7.606 1.136 -5.869 1.00 0.32 H new ATOM 0 HA LEU A 77 -7.192 -0.234 -8.456 1.00 0.30 H new ATOM 0 HB2 LEU A 77 -7.449 -1.033 -5.633 1.00 0.32 H new ATOM 0 HB3 LEU A 77 -8.505 -1.930 -6.706 1.00 0.32 H new ATOM 0 HG LEU A 77 -6.682 -2.794 -7.966 1.00 0.54 H new ATOM 0 HD11 LEU A 77 -4.347 -2.120 -7.615 1.00 0.94 H new ATOM 0 HD12 LEU A 77 -5.354 -0.759 -8.166 1.00 0.94 H new ATOM 0 HD13 LEU A 77 -4.882 -0.880 -6.455 1.00 0.94 H new ATOM 0 HD21 LEU A 77 -5.330 -3.917 -6.229 1.00 0.94 H new ATOM 0 HD22 LEU A 77 -5.918 -2.748 -5.023 1.00 0.94 H new ATOM 0 HD23 LEU A 77 -7.055 -3.878 -5.795 1.00 0.94 H new ATOM 1109 N GLY A 78 -9.767 -0.857 -8.633 1.00 0.37 N ATOM 1110 CA GLY A 78 -11.157 -0.785 -9.034 1.00 0.39 C ATOM 1111 C GLY A 78 -12.098 -1.274 -7.953 1.00 0.34 C ATOM 1112 O GLY A 78 -11.823 -1.117 -6.762 1.00 0.44 O ATOM 0 H GLY A 78 -9.272 -1.688 -8.958 1.00 0.37 H new ATOM 0 HA2 GLY A 78 -11.405 0.245 -9.289 1.00 0.39 H new ATOM 0 HA3 GLY A 78 -11.303 -1.380 -9.935 1.00 0.39 H new ATOM 1116 N PHE A 79 -13.206 -1.874 -8.361 1.00 0.47 N ATOM 1117 CA PHE A 79 -14.200 -2.358 -7.416 1.00 0.46 C ATOM 1118 C PHE A 79 -14.043 -3.856 -7.185 1.00 0.45 C ATOM 1119 O PHE A 79 -14.075 -4.651 -8.124 1.00 0.61 O ATOM 1120 CB PHE A 79 -15.609 -2.041 -7.913 1.00 0.61 C ATOM 1121 CG PHE A 79 -15.835 -0.579 -8.166 1.00 1.69 C ATOM 1122 CD1 PHE A 79 -15.999 0.301 -7.110 1.00 2.78 C ATOM 1123 CD2 PHE A 79 -15.876 -0.085 -9.460 1.00 1.73 C ATOM 1124 CE1 PHE A 79 -16.202 1.648 -7.339 1.00 3.87 C ATOM 1125 CE2 PHE A 79 -16.079 1.261 -9.695 1.00 2.78 C ATOM 1126 CZ PHE A 79 -16.243 2.128 -8.632 1.00 3.85 C ATOM 0 H PHE A 79 -13.439 -2.037 -9.340 1.00 0.47 H new ATOM 0 HA PHE A 79 -14.043 -1.847 -6.466 1.00 0.46 H new ATOM 0 HB2 PHE A 79 -15.795 -2.595 -8.833 1.00 0.61 H new ATOM 0 HB3 PHE A 79 -16.333 -2.392 -7.178 1.00 0.61 H new ATOM 0 HD1 PHE A 79 -15.968 -0.070 -6.096 1.00 2.78 H new ATOM 0 HD2 PHE A 79 -15.748 -0.760 -10.294 1.00 1.73 H new ATOM 0 HE1 PHE A 79 -16.328 2.325 -6.507 1.00 3.87 H new ATOM 0 HE2 PHE A 79 -16.109 1.635 -10.708 1.00 2.78 H new ATOM 0 HZ PHE A 79 -16.403 3.181 -8.813 1.00 3.85 H new ATOM 1136 N PHE A 80 -13.880 -4.222 -5.928 1.00 0.40 N ATOM 1137 CA PHE A 80 -13.652 -5.606 -5.538 1.00 0.45 C ATOM 1138 C PHE A 80 -14.528 -5.974 -4.350 1.00 0.46 C ATOM 1139 O PHE A 80 -14.697 -5.182 -3.427 1.00 0.55 O ATOM 1140 CB PHE A 80 -12.172 -5.816 -5.188 1.00 0.45 C ATOM 1141 CG PHE A 80 -11.522 -4.620 -4.537 1.00 0.62 C ATOM 1142 CD1 PHE A 80 -11.882 -4.244 -3.255 1.00 0.89 C ATOM 1143 CD2 PHE A 80 -10.544 -3.884 -5.192 1.00 1.01 C ATOM 1144 CE1 PHE A 80 -11.286 -3.159 -2.647 1.00 1.19 C ATOM 1145 CE2 PHE A 80 -9.946 -2.798 -4.577 1.00 1.28 C ATOM 1146 CZ PHE A 80 -10.333 -2.400 -3.371 1.00 1.31 C ATOM 0 H PHE A 80 -13.901 -3.569 -5.145 1.00 0.40 H new ATOM 0 HA PHE A 80 -13.914 -6.252 -6.376 1.00 0.45 H new ATOM 0 HB2 PHE A 80 -12.085 -6.673 -4.520 1.00 0.45 H new ATOM 0 HB3 PHE A 80 -11.625 -6.064 -6.098 1.00 0.45 H new ATOM 0 HD1 PHE A 80 -12.637 -4.806 -2.725 1.00 0.89 H new ATOM 0 HD2 PHE A 80 -10.247 -4.162 -6.192 1.00 1.01 H new ATOM 0 HE1 PHE A 80 -11.542 -2.891 -1.633 1.00 1.19 H new ATOM 0 HE2 PHE A 80 -9.154 -2.267 -5.085 1.00 1.28 H new ATOM 0 HZ PHE A 80 -9.922 -1.498 -2.942 1.00 1.31 H new ATOM 1156 N SER A 81 -15.098 -7.165 -4.379 1.00 0.50 N ATOM 1157 CA SER A 81 -15.910 -7.633 -3.272 1.00 0.55 C ATOM 1158 C SER A 81 -15.026 -7.870 -2.049 1.00 0.52 C ATOM 1159 O SER A 81 -13.987 -8.524 -2.141 1.00 0.54 O ATOM 1160 CB SER A 81 -16.655 -8.906 -3.670 1.00 0.69 C ATOM 1161 OG SER A 81 -17.384 -8.707 -4.872 1.00 1.17 O ATOM 0 H SER A 81 -15.014 -7.823 -5.154 1.00 0.50 H new ATOM 0 HA SER A 81 -16.651 -6.875 -3.018 1.00 0.55 H new ATOM 0 HB2 SER A 81 -15.945 -9.723 -3.801 1.00 0.69 H new ATOM 0 HB3 SER A 81 -17.335 -9.200 -2.871 1.00 0.69 H new ATOM 0 HG SER A 81 -18.240 -9.182 -4.818 1.00 1.17 H new ATOM 1167 N SER A 82 -15.441 -7.308 -0.917 1.00 0.59 N ATOM 1168 CA SER A 82 -14.657 -7.333 0.314 1.00 0.63 C ATOM 1169 C SER A 82 -14.164 -8.745 0.647 1.00 0.59 C ATOM 1170 O SER A 82 -14.960 -9.675 0.804 1.00 0.63 O ATOM 1171 CB SER A 82 -15.496 -6.780 1.466 1.00 0.77 C ATOM 1172 OG SER A 82 -16.029 -5.503 1.140 1.00 1.19 O ATOM 0 H SER A 82 -16.333 -6.821 -0.828 1.00 0.59 H new ATOM 0 HA SER A 82 -13.776 -6.708 0.167 1.00 0.63 H new ATOM 0 HB2 SER A 82 -16.309 -7.470 1.693 1.00 0.77 H new ATOM 0 HB3 SER A 82 -14.882 -6.704 2.364 1.00 0.77 H new ATOM 0 HG SER A 82 -16.563 -5.170 1.891 1.00 1.19 H new ATOM 1178 N GLY A 83 -12.847 -8.890 0.748 1.00 0.58 N ATOM 1179 CA GLY A 83 -12.253 -10.188 1.012 1.00 0.62 C ATOM 1180 C GLY A 83 -11.485 -10.719 -0.183 1.00 0.64 C ATOM 1181 O GLY A 83 -10.951 -11.825 -0.148 1.00 0.79 O ATOM 0 H GLY A 83 -12.177 -8.127 0.651 1.00 0.58 H new ATOM 0 HA2 GLY A 83 -11.583 -10.112 1.868 1.00 0.62 H new ATOM 0 HA3 GLY A 83 -13.036 -10.896 1.282 1.00 0.62 H new ATOM 1185 N GLU A 84 -11.415 -9.915 -1.234 1.00 0.58 N ATOM 1186 CA GLU A 84 -10.797 -10.330 -2.488 1.00 0.62 C ATOM 1187 C GLU A 84 -9.307 -9.960 -2.525 1.00 0.58 C ATOM 1188 O GLU A 84 -8.729 -9.769 -3.594 1.00 0.87 O ATOM 1189 CB GLU A 84 -11.542 -9.672 -3.653 1.00 0.73 C ATOM 1190 CG GLU A 84 -11.313 -10.327 -5.003 1.00 1.17 C ATOM 1191 CD GLU A 84 -12.117 -9.664 -6.100 1.00 1.26 C ATOM 1192 OE1 GLU A 84 -13.332 -9.942 -6.207 1.00 1.43 O ATOM 1193 OE2 GLU A 84 -11.537 -8.870 -6.868 1.00 1.55 O ATOM 0 H GLU A 84 -11.782 -8.963 -1.244 1.00 0.58 H new ATOM 0 HA GLU A 84 -10.865 -11.415 -2.573 1.00 0.62 H new ATOM 0 HB2 GLU A 84 -12.610 -9.683 -3.436 1.00 0.73 H new ATOM 0 HB3 GLU A 84 -11.240 -8.627 -3.716 1.00 0.73 H new ATOM 0 HG2 GLU A 84 -10.253 -10.281 -5.253 1.00 1.17 H new ATOM 0 HG3 GLU A 84 -11.581 -11.382 -4.944 1.00 1.17 H new ATOM 1200 N MET A 85 -8.687 -9.856 -1.357 1.00 0.47 N ATOM 1201 CA MET A 85 -7.278 -9.520 -1.280 1.00 0.44 C ATOM 1202 C MET A 85 -6.528 -10.619 -0.537 1.00 0.47 C ATOM 1203 O MET A 85 -6.704 -11.803 -0.821 1.00 0.73 O ATOM 1204 CB MET A 85 -7.103 -8.173 -0.574 1.00 0.39 C ATOM 1205 CG MET A 85 -7.777 -7.017 -1.295 1.00 0.37 C ATOM 1206 SD MET A 85 -7.042 -6.681 -2.908 1.00 0.39 S ATOM 1207 CE MET A 85 -8.060 -5.315 -3.458 1.00 0.39 C ATOM 0 H MET A 85 -9.139 -10.000 -0.454 1.00 0.47 H new ATOM 0 HA MET A 85 -6.868 -9.438 -2.287 1.00 0.44 H new ATOM 0 HB2 MET A 85 -7.507 -8.246 0.436 1.00 0.39 H new ATOM 0 HB3 MET A 85 -6.039 -7.959 -0.476 1.00 0.39 H new ATOM 0 HG2 MET A 85 -8.836 -7.241 -1.422 1.00 0.37 H new ATOM 0 HG3 MET A 85 -7.713 -6.121 -0.677 1.00 0.37 H new ATOM 0 HE1 MET A 85 -8.232 -5.399 -4.531 1.00 0.39 H new ATOM 0 HE2 MET A 85 -9.016 -5.339 -2.934 1.00 0.39 H new ATOM 0 HE3 MET A 85 -7.553 -4.374 -3.244 1.00 0.39 H new ATOM 1217 N MET A 86 -5.706 -10.224 0.420 1.00 0.33 N ATOM 1218 CA MET A 86 -4.970 -11.177 1.241 1.00 0.35 C ATOM 1219 C MET A 86 -5.767 -11.505 2.496 1.00 0.40 C ATOM 1220 O MET A 86 -6.634 -12.380 2.485 1.00 0.76 O ATOM 1221 CB MET A 86 -3.583 -10.630 1.619 1.00 0.33 C ATOM 1222 CG MET A 86 -2.550 -10.743 0.504 1.00 0.43 C ATOM 1223 SD MET A 86 -2.862 -9.617 -0.873 1.00 1.16 S ATOM 1224 CE MET A 86 -2.382 -8.052 -0.151 1.00 1.39 C ATOM 0 H MET A 86 -5.529 -9.246 0.650 1.00 0.33 H new ATOM 0 HA MET A 86 -4.825 -12.088 0.660 1.00 0.35 H new ATOM 0 HB2 MET A 86 -3.682 -9.583 1.905 1.00 0.33 H new ATOM 0 HB3 MET A 86 -3.218 -11.166 2.495 1.00 0.33 H new ATOM 0 HG2 MET A 86 -1.560 -10.541 0.913 1.00 0.43 H new ATOM 0 HG3 MET A 86 -2.538 -11.767 0.131 1.00 0.43 H new ATOM 0 HE1 MET A 86 -3.194 -7.334 -0.267 1.00 1.39 H new ATOM 0 HE2 MET A 86 -2.169 -8.190 0.909 1.00 1.39 H new ATOM 0 HE3 MET A 86 -1.491 -7.677 -0.655 1.00 1.39 H new ATOM 1234 N LYS A 87 -5.491 -10.772 3.563 1.00 0.32 N ATOM 1235 CA LYS A 87 -6.241 -10.901 4.805 1.00 0.32 C ATOM 1236 C LYS A 87 -5.987 -9.684 5.700 1.00 0.27 C ATOM 1237 O LYS A 87 -6.935 -8.987 6.059 1.00 0.27 O ATOM 1238 CB LYS A 87 -5.902 -12.208 5.537 1.00 0.37 C ATOM 1239 CG LYS A 87 -6.756 -12.453 6.772 1.00 0.97 C ATOM 1240 CD LYS A 87 -6.403 -13.764 7.458 1.00 1.46 C ATOM 1241 CE LYS A 87 -5.008 -13.731 8.066 1.00 2.00 C ATOM 1242 NZ LYS A 87 -4.894 -12.707 9.137 1.00 2.37 N ATOM 0 H LYS A 87 -4.747 -10.075 3.594 1.00 0.32 H new ATOM 0 HA LYS A 87 -7.302 -10.939 4.560 1.00 0.32 H new ATOM 0 HB2 LYS A 87 -6.026 -13.043 4.848 1.00 0.37 H new ATOM 0 HB3 LYS A 87 -4.852 -12.189 5.829 1.00 0.37 H new ATOM 0 HG2 LYS A 87 -6.623 -11.629 7.474 1.00 0.97 H new ATOM 0 HG3 LYS A 87 -7.808 -12.464 6.489 1.00 0.97 H new ATOM 0 HD2 LYS A 87 -7.134 -13.973 8.239 1.00 1.46 H new ATOM 0 HD3 LYS A 87 -6.465 -14.579 6.737 1.00 1.46 H new ATOM 0 HE2 LYS A 87 -4.767 -14.712 8.475 1.00 2.00 H new ATOM 0 HE3 LYS A 87 -4.277 -13.523 7.285 1.00 2.00 H new ATOM 0 HZ1 LYS A 87 -4.032 -12.880 9.693 1.00 2.37 H new ATOM 0 HZ2 LYS A 87 -4.845 -11.761 8.709 1.00 2.37 H new ATOM 0 HZ3 LYS A 87 -5.725 -12.763 9.760 1.00 2.37 H new ATOM 1256 N PRO A 88 -4.710 -9.373 6.045 1.00 0.26 N ATOM 1257 CA PRO A 88 -4.392 -8.200 6.871 1.00 0.25 C ATOM 1258 C PRO A 88 -4.626 -6.908 6.101 1.00 0.22 C ATOM 1259 O PRO A 88 -4.961 -5.869 6.671 1.00 0.25 O ATOM 1260 CB PRO A 88 -2.907 -8.378 7.187 1.00 0.27 C ATOM 1261 CG PRO A 88 -2.377 -9.168 6.047 1.00 0.27 C ATOM 1262 CD PRO A 88 -3.481 -10.115 5.671 1.00 0.27 C ATOM 0 HA PRO A 88 -5.015 -8.132 7.763 1.00 0.25 H new ATOM 0 HB2 PRO A 88 -2.401 -7.416 7.273 1.00 0.27 H new ATOM 0 HB3 PRO A 88 -2.762 -8.900 8.133 1.00 0.27 H new ATOM 0 HG2 PRO A 88 -2.112 -8.521 5.210 1.00 0.27 H new ATOM 0 HG3 PRO A 88 -1.474 -9.709 6.330 1.00 0.27 H new ATOM 0 HD2 PRO A 88 -3.462 -10.352 4.607 1.00 0.27 H new ATOM 0 HD3 PRO A 88 -3.402 -11.059 6.210 1.00 0.27 H new ATOM 1270 N PHE A 89 -4.446 -7.005 4.792 1.00 0.19 N ATOM 1271 CA PHE A 89 -4.694 -5.900 3.878 1.00 0.17 C ATOM 1272 C PHE A 89 -6.163 -5.497 3.943 1.00 0.18 C ATOM 1273 O PHE A 89 -6.491 -4.356 4.251 1.00 0.17 O ATOM 1274 CB PHE A 89 -4.315 -6.356 2.459 1.00 0.19 C ATOM 1275 CG PHE A 89 -4.542 -5.358 1.349 1.00 0.18 C ATOM 1276 CD1 PHE A 89 -5.814 -5.135 0.841 1.00 0.22 C ATOM 1277 CD2 PHE A 89 -3.476 -4.679 0.783 1.00 0.19 C ATOM 1278 CE1 PHE A 89 -6.019 -4.250 -0.200 1.00 0.22 C ATOM 1279 CE2 PHE A 89 -3.674 -3.801 -0.267 1.00 0.20 C ATOM 1280 CZ PHE A 89 -4.949 -3.584 -0.758 1.00 0.19 C ATOM 0 H PHE A 89 -4.122 -7.856 4.332 1.00 0.19 H new ATOM 0 HA PHE A 89 -4.095 -5.032 4.154 1.00 0.17 H new ATOM 0 HB2 PHE A 89 -3.261 -6.632 2.459 1.00 0.19 H new ATOM 0 HB3 PHE A 89 -4.881 -7.258 2.228 1.00 0.19 H new ATOM 0 HD1 PHE A 89 -6.656 -5.661 1.266 1.00 0.22 H new ATOM 0 HD2 PHE A 89 -2.479 -4.837 1.166 1.00 0.19 H new ATOM 0 HE1 PHE A 89 -7.017 -4.080 -0.576 1.00 0.22 H new ATOM 0 HE2 PHE A 89 -2.832 -3.284 -0.704 1.00 0.20 H new ATOM 0 HZ PHE A 89 -5.105 -2.896 -1.575 1.00 0.19 H new ATOM 1290 N GLU A 90 -7.034 -6.468 3.691 1.00 0.21 N ATOM 1291 CA GLU A 90 -8.479 -6.256 3.697 1.00 0.24 C ATOM 1292 C GLU A 90 -8.948 -5.876 5.095 1.00 0.25 C ATOM 1293 O GLU A 90 -9.839 -5.044 5.260 1.00 0.27 O ATOM 1294 CB GLU A 90 -9.166 -7.535 3.218 1.00 0.29 C ATOM 1295 CG GLU A 90 -10.653 -7.400 2.922 1.00 0.34 C ATOM 1296 CD GLU A 90 -11.521 -7.581 4.154 1.00 1.41 C ATOM 1297 OE1 GLU A 90 -11.263 -8.528 4.930 1.00 2.12 O ATOM 1298 OE2 GLU A 90 -12.474 -6.803 4.336 1.00 1.78 O ATOM 0 H GLU A 90 -6.759 -7.426 3.476 1.00 0.21 H new ATOM 0 HA GLU A 90 -8.738 -5.437 3.026 1.00 0.24 H new ATOM 0 HB2 GLU A 90 -8.662 -7.883 2.316 1.00 0.29 H new ATOM 0 HB3 GLU A 90 -9.031 -8.307 3.976 1.00 0.29 H new ATOM 0 HG2 GLU A 90 -10.844 -6.418 2.490 1.00 0.34 H new ATOM 0 HG3 GLU A 90 -10.937 -8.138 2.172 1.00 0.34 H new ATOM 1305 N ASP A 91 -8.322 -6.489 6.090 1.00 0.25 N ATOM 1306 CA ASP A 91 -8.586 -6.175 7.494 1.00 0.29 C ATOM 1307 C ASP A 91 -8.434 -4.679 7.757 1.00 0.25 C ATOM 1308 O ASP A 91 -9.147 -4.112 8.584 1.00 0.30 O ATOM 1309 CB ASP A 91 -7.637 -6.969 8.400 1.00 0.35 C ATOM 1310 CG ASP A 91 -7.755 -6.590 9.864 1.00 0.48 C ATOM 1311 OD1 ASP A 91 -8.712 -7.047 10.523 1.00 0.61 O ATOM 1312 OD2 ASP A 91 -6.900 -5.827 10.362 1.00 0.54 O ATOM 0 H ASP A 91 -7.619 -7.215 5.952 1.00 0.25 H new ATOM 0 HA ASP A 91 -9.614 -6.458 7.719 1.00 0.29 H new ATOM 0 HB2 ASP A 91 -7.844 -8.033 8.289 1.00 0.35 H new ATOM 0 HB3 ASP A 91 -6.610 -6.808 8.071 1.00 0.35 H new ATOM 1317 N ALA A 92 -7.510 -4.046 7.044 1.00 0.20 N ATOM 1318 CA ALA A 92 -7.303 -2.611 7.170 1.00 0.19 C ATOM 1319 C ALA A 92 -8.274 -1.831 6.287 1.00 0.18 C ATOM 1320 O ALA A 92 -8.732 -0.756 6.663 1.00 0.21 O ATOM 1321 CB ALA A 92 -5.868 -2.248 6.825 1.00 0.22 C ATOM 0 H ALA A 92 -6.893 -4.505 6.373 1.00 0.20 H new ATOM 0 HA ALA A 92 -7.496 -2.336 8.207 1.00 0.19 H new ATOM 0 HB1 ALA A 92 -5.731 -1.171 6.925 1.00 0.22 H new ATOM 0 HB2 ALA A 92 -5.189 -2.764 7.503 1.00 0.22 H new ATOM 0 HB3 ALA A 92 -5.653 -2.548 5.799 1.00 0.22 H new ATOM 1327 N VAL A 93 -8.602 -2.393 5.125 1.00 0.18 N ATOM 1328 CA VAL A 93 -9.483 -1.734 4.159 1.00 0.19 C ATOM 1329 C VAL A 93 -10.871 -1.524 4.755 1.00 0.19 C ATOM 1330 O VAL A 93 -11.468 -0.456 4.629 1.00 0.20 O ATOM 1331 CB VAL A 93 -9.626 -2.554 2.855 1.00 0.21 C ATOM 1332 CG1 VAL A 93 -10.428 -1.784 1.823 1.00 0.25 C ATOM 1333 CG2 VAL A 93 -8.266 -2.936 2.293 1.00 0.21 C ATOM 0 H VAL A 93 -8.269 -3.310 4.827 1.00 0.18 H new ATOM 0 HA VAL A 93 -9.026 -0.773 3.922 1.00 0.19 H new ATOM 0 HB VAL A 93 -10.161 -3.472 3.097 1.00 0.21 H new ATOM 0 HG11 VAL A 93 -10.517 -2.378 0.914 1.00 0.25 H new ATOM 0 HG12 VAL A 93 -11.422 -1.574 2.218 1.00 0.25 H new ATOM 0 HG13 VAL A 93 -9.922 -0.846 1.595 1.00 0.25 H new ATOM 0 HG21 VAL A 93 -8.399 -3.511 1.377 1.00 0.21 H new ATOM 0 HG22 VAL A 93 -7.696 -2.033 2.075 1.00 0.21 H new ATOM 0 HG23 VAL A 93 -7.726 -3.538 3.024 1.00 0.21 H new ATOM 1343 N ARG A 94 -11.374 -2.557 5.411 1.00 0.23 N ATOM 1344 CA ARG A 94 -12.674 -2.499 6.060 1.00 0.27 C ATOM 1345 C ARG A 94 -12.608 -1.652 7.328 1.00 0.25 C ATOM 1346 O ARG A 94 -13.634 -1.306 7.909 1.00 0.32 O ATOM 1347 CB ARG A 94 -13.120 -3.910 6.426 1.00 0.41 C ATOM 1348 CG ARG A 94 -12.237 -4.531 7.490 1.00 0.59 C ATOM 1349 CD ARG A 94 -12.549 -5.991 7.711 1.00 1.03 C ATOM 1350 NE ARG A 94 -11.711 -6.552 8.765 1.00 0.98 N ATOM 1351 CZ ARG A 94 -11.867 -7.775 9.265 1.00 1.69 C ATOM 1352 NH1 ARG A 94 -12.838 -8.557 8.815 1.00 2.59 N ATOM 1353 NH2 ARG A 94 -11.047 -8.218 10.206 1.00 1.70 N ATOM 0 H ARG A 94 -10.897 -3.453 5.509 1.00 0.23 H new ATOM 0 HA ARG A 94 -13.386 -2.046 5.370 1.00 0.27 H new ATOM 0 HB2 ARG A 94 -14.150 -3.883 6.781 1.00 0.41 H new ATOM 0 HB3 ARG A 94 -13.107 -4.536 5.534 1.00 0.41 H new ATOM 0 HG2 ARG A 94 -11.192 -4.425 7.199 1.00 0.59 H new ATOM 0 HG3 ARG A 94 -12.364 -3.988 8.427 1.00 0.59 H new ATOM 0 HD2 ARG A 94 -13.600 -6.105 7.978 1.00 1.03 H new ATOM 0 HD3 ARG A 94 -12.393 -6.544 6.785 1.00 1.03 H new ATOM 0 HE ARG A 94 -10.961 -5.972 9.141 1.00 0.98 H new ATOM 0 HH11 ARG A 94 -13.466 -8.221 8.085 1.00 2.59 H new ATOM 0 HH12 ARG A 94 -12.957 -9.495 9.199 1.00 2.59 H new ATOM 0 HH21 ARG A 94 -10.294 -7.621 10.549 1.00 1.70 H new ATOM 0 HH22 ARG A 94 -11.168 -9.156 10.588 1.00 1.70 H new ATOM 1367 N ALA A 95 -11.396 -1.320 7.751 1.00 0.23 N ATOM 1368 CA ALA A 95 -11.193 -0.643 9.023 1.00 0.25 C ATOM 1369 C ALA A 95 -11.063 0.869 8.847 1.00 0.26 C ATOM 1370 O ALA A 95 -10.628 1.577 9.759 1.00 0.47 O ATOM 1371 CB ALA A 95 -9.973 -1.217 9.725 1.00 0.26 C ATOM 0 H ALA A 95 -10.539 -1.509 7.231 1.00 0.23 H new ATOM 0 HA ALA A 95 -12.073 -0.816 9.643 1.00 0.25 H new ATOM 0 HB1 ALA A 95 -9.827 -0.706 10.677 1.00 0.26 H new ATOM 0 HB2 ALA A 95 -10.124 -2.282 9.904 1.00 0.26 H new ATOM 0 HB3 ALA A 95 -9.093 -1.076 9.098 1.00 0.26 H new ATOM 1377 N LEU A 96 -11.444 1.359 7.675 1.00 0.19 N ATOM 1378 CA LEU A 96 -11.424 2.789 7.397 1.00 0.19 C ATOM 1379 C LEU A 96 -12.538 3.169 6.434 1.00 0.21 C ATOM 1380 O LEU A 96 -13.031 2.336 5.674 1.00 0.28 O ATOM 1381 CB LEU A 96 -10.062 3.215 6.837 1.00 0.28 C ATOM 1382 CG LEU A 96 -9.339 2.183 5.976 1.00 0.15 C ATOM 1383 CD1 LEU A 96 -9.866 2.198 4.557 1.00 0.27 C ATOM 1384 CD2 LEU A 96 -7.847 2.436 5.988 1.00 0.28 C ATOM 0 H LEU A 96 -11.772 0.785 6.899 1.00 0.19 H new ATOM 0 HA LEU A 96 -11.589 3.317 8.336 1.00 0.19 H new ATOM 0 HB2 LEU A 96 -10.202 4.119 6.244 1.00 0.28 H new ATOM 0 HB3 LEU A 96 -9.414 3.479 7.673 1.00 0.28 H new ATOM 0 HG LEU A 96 -9.529 1.196 6.398 1.00 0.15 H new ATOM 0 HD11 LEU A 96 -9.335 1.454 3.964 1.00 0.27 H new ATOM 0 HD12 LEU A 96 -10.931 1.965 4.562 1.00 0.27 H new ATOM 0 HD13 LEU A 96 -9.712 3.186 4.122 1.00 0.27 H new ATOM 0 HD21 LEU A 96 -7.347 1.691 5.369 1.00 0.28 H new ATOM 0 HD22 LEU A 96 -7.644 3.432 5.593 1.00 0.28 H new ATOM 0 HD23 LEU A 96 -7.475 2.368 7.010 1.00 0.28 H new ATOM 1396 N LYS A 97 -12.941 4.428 6.488 1.00 0.24 N ATOM 1397 CA LYS A 97 -13.986 4.947 5.621 1.00 0.31 C ATOM 1398 C LYS A 97 -13.357 5.539 4.362 1.00 0.28 C ATOM 1399 O LYS A 97 -12.148 5.760 4.326 1.00 0.25 O ATOM 1400 CB LYS A 97 -14.796 6.014 6.375 1.00 0.42 C ATOM 1401 CG LYS A 97 -15.986 6.576 5.607 1.00 0.62 C ATOM 1402 CD LYS A 97 -17.096 5.552 5.454 1.00 0.97 C ATOM 1403 CE LYS A 97 -18.258 6.100 4.639 1.00 1.02 C ATOM 1404 NZ LYS A 97 -18.846 7.324 5.248 1.00 1.61 N ATOM 0 H LYS A 97 -12.554 5.117 7.132 1.00 0.24 H new ATOM 0 HA LYS A 97 -14.658 4.140 5.329 1.00 0.31 H new ATOM 0 HB2 LYS A 97 -15.156 5.583 7.310 1.00 0.42 H new ATOM 0 HB3 LYS A 97 -14.131 6.836 6.638 1.00 0.42 H new ATOM 0 HG2 LYS A 97 -16.371 7.454 6.126 1.00 0.62 H new ATOM 0 HG3 LYS A 97 -15.659 6.906 4.621 1.00 0.62 H new ATOM 0 HD2 LYS A 97 -16.702 4.658 4.971 1.00 0.97 H new ATOM 0 HD3 LYS A 97 -17.452 5.251 6.439 1.00 0.97 H new ATOM 0 HE2 LYS A 97 -17.916 6.327 3.629 1.00 1.02 H new ATOM 0 HE3 LYS A 97 -19.029 5.335 4.549 1.00 1.02 H new ATOM 0 HZ1 LYS A 97 -19.749 7.544 4.781 1.00 1.61 H new ATOM 0 HZ2 LYS A 97 -19.011 7.162 6.262 1.00 1.61 H new ATOM 0 HZ3 LYS A 97 -18.190 8.122 5.127 1.00 1.61 H new ATOM 1418 N ILE A 98 -14.164 5.732 3.321 1.00 0.32 N ATOM 1419 CA ILE A 98 -13.734 6.455 2.125 1.00 0.32 C ATOM 1420 C ILE A 98 -12.932 7.703 2.491 1.00 0.32 C ATOM 1421 O ILE A 98 -13.455 8.636 3.098 1.00 0.37 O ATOM 1422 CB ILE A 98 -14.942 6.877 1.263 1.00 0.38 C ATOM 1423 CG1 ILE A 98 -15.754 5.647 0.853 1.00 0.41 C ATOM 1424 CG2 ILE A 98 -14.481 7.654 0.034 1.00 0.50 C ATOM 1425 CD1 ILE A 98 -16.988 5.972 0.041 1.00 0.90 C ATOM 0 H ILE A 98 -15.126 5.395 3.282 1.00 0.32 H new ATOM 0 HA ILE A 98 -13.103 5.774 1.555 1.00 0.32 H new ATOM 0 HB ILE A 98 -15.581 7.531 1.856 1.00 0.38 H new ATOM 0 HG12 ILE A 98 -15.116 4.978 0.275 1.00 0.41 H new ATOM 0 HG13 ILE A 98 -16.053 5.105 1.750 1.00 0.41 H new ATOM 0 HG21 ILE A 98 -15.348 7.942 -0.560 1.00 0.50 H new ATOM 0 HG22 ILE A 98 -13.944 8.548 0.349 1.00 0.50 H new ATOM 0 HG23 ILE A 98 -13.822 7.027 -0.566 1.00 0.50 H new ATOM 0 HD11 ILE A 98 -17.511 5.049 -0.212 1.00 0.90 H new ATOM 0 HD12 ILE A 98 -17.648 6.615 0.623 1.00 0.90 H new ATOM 0 HD13 ILE A 98 -16.696 6.486 -0.875 1.00 0.90 H new ATOM 1437 N GLY A 99 -11.661 7.699 2.132 1.00 0.30 N ATOM 1438 CA GLY A 99 -10.811 8.846 2.394 1.00 0.32 C ATOM 1439 C GLY A 99 -9.872 8.646 3.570 1.00 0.32 C ATOM 1440 O GLY A 99 -8.990 9.475 3.809 1.00 0.46 O ATOM 0 H GLY A 99 -11.198 6.921 1.662 1.00 0.30 H new ATOM 0 HA2 GLY A 99 -10.223 9.064 1.502 1.00 0.32 H new ATOM 0 HA3 GLY A 99 -11.438 9.717 2.583 1.00 0.32 H new ATOM 1444 N ASP A 100 -10.054 7.563 4.315 1.00 0.21 N ATOM 1445 CA ASP A 100 -9.189 7.277 5.454 1.00 0.19 C ATOM 1446 C ASP A 100 -8.098 6.297 5.057 1.00 0.15 C ATOM 1447 O ASP A 100 -8.361 5.311 4.366 1.00 0.15 O ATOM 1448 CB ASP A 100 -9.986 6.711 6.636 1.00 0.22 C ATOM 1449 CG ASP A 100 -10.889 7.738 7.288 1.00 0.32 C ATOM 1450 OD1 ASP A 100 -10.386 8.580 8.062 1.00 0.46 O ATOM 1451 OD2 ASP A 100 -12.108 7.718 7.023 1.00 0.37 O ATOM 0 H ASP A 100 -10.787 6.872 4.153 1.00 0.21 H new ATOM 0 HA ASP A 100 -8.735 8.218 5.766 1.00 0.19 H new ATOM 0 HB2 ASP A 100 -10.590 5.872 6.291 1.00 0.22 H new ATOM 0 HB3 ASP A 100 -9.293 6.320 7.381 1.00 0.22 H new ATOM 1456 N ILE A 101 -6.878 6.583 5.486 1.00 0.18 N ATOM 1457 CA ILE A 101 -5.731 5.739 5.181 1.00 0.16 C ATOM 1458 C ILE A 101 -5.350 4.914 6.411 1.00 0.16 C ATOM 1459 O ILE A 101 -5.552 5.346 7.547 1.00 0.18 O ATOM 1460 CB ILE A 101 -4.517 6.588 4.740 1.00 0.19 C ATOM 1461 CG1 ILE A 101 -4.918 7.592 3.653 1.00 0.23 C ATOM 1462 CG2 ILE A 101 -3.404 5.688 4.223 1.00 0.19 C ATOM 1463 CD1 ILE A 101 -4.106 8.866 3.684 1.00 0.21 C ATOM 0 H ILE A 101 -6.655 7.402 6.052 1.00 0.18 H new ATOM 0 HA ILE A 101 -6.009 5.076 4.362 1.00 0.16 H new ATOM 0 HB ILE A 101 -4.158 7.141 5.608 1.00 0.19 H new ATOM 0 HG12 ILE A 101 -4.806 7.122 2.676 1.00 0.23 H new ATOM 0 HG13 ILE A 101 -5.973 7.839 3.769 1.00 0.23 H new ATOM 0 HG21 ILE A 101 -2.555 6.299 3.916 1.00 0.19 H new ATOM 0 HG22 ILE A 101 -3.092 5.005 5.013 1.00 0.19 H new ATOM 0 HG23 ILE A 101 -3.766 5.115 3.370 1.00 0.19 H new ATOM 0 HD11 ILE A 101 -4.442 9.531 2.889 1.00 0.21 H new ATOM 0 HD12 ILE A 101 -4.237 9.358 4.648 1.00 0.21 H new ATOM 0 HD13 ILE A 101 -3.052 8.629 3.538 1.00 0.21 H new ATOM 1475 N SER A 102 -4.807 3.731 6.173 1.00 0.16 N ATOM 1476 CA SER A 102 -4.447 2.804 7.234 1.00 0.19 C ATOM 1477 C SER A 102 -3.004 3.015 7.674 1.00 0.18 C ATOM 1478 O SER A 102 -2.200 3.599 6.943 1.00 0.22 O ATOM 1479 CB SER A 102 -4.615 1.364 6.737 1.00 0.25 C ATOM 1480 OG SER A 102 -3.703 1.075 5.688 1.00 0.92 O ATOM 0 H SER A 102 -4.603 3.385 5.235 1.00 0.16 H new ATOM 0 HA SER A 102 -5.103 2.986 8.085 1.00 0.19 H new ATOM 0 HB2 SER A 102 -4.456 0.670 7.563 1.00 0.25 H new ATOM 0 HB3 SER A 102 -5.636 1.214 6.387 1.00 0.25 H new ATOM 0 HG SER A 102 -3.232 0.238 5.885 1.00 0.92 H new ATOM 1486 N PRO A 103 -2.659 2.553 8.885 1.00 0.21 N ATOM 1487 CA PRO A 103 -1.270 2.507 9.339 1.00 0.23 C ATOM 1488 C PRO A 103 -0.479 1.425 8.602 1.00 0.20 C ATOM 1489 O PRO A 103 -1.064 0.586 7.911 1.00 0.27 O ATOM 1490 CB PRO A 103 -1.389 2.163 10.824 1.00 0.31 C ATOM 1491 CG PRO A 103 -2.687 1.445 10.941 1.00 0.34 C ATOM 1492 CD PRO A 103 -3.594 2.066 9.917 1.00 0.28 C ATOM 0 HA PRO A 103 -0.740 3.441 9.153 1.00 0.23 H new ATOM 0 HB2 PRO A 103 -0.559 1.538 11.154 1.00 0.31 H new ATOM 0 HB3 PRO A 103 -1.376 3.061 11.441 1.00 0.31 H new ATOM 0 HG2 PRO A 103 -2.561 0.378 10.756 1.00 0.34 H new ATOM 0 HG3 PRO A 103 -3.101 1.548 11.944 1.00 0.34 H new ATOM 0 HD2 PRO A 103 -4.299 1.340 9.511 1.00 0.28 H new ATOM 0 HD3 PRO A 103 -4.183 2.879 10.342 1.00 0.28 H new ATOM 1500 N ILE A 104 0.845 1.478 8.731 1.00 0.17 N ATOM 1501 CA ILE A 104 1.734 0.470 8.145 1.00 0.15 C ATOM 1502 C ILE A 104 1.255 -0.953 8.444 1.00 0.14 C ATOM 1503 O ILE A 104 1.268 -1.395 9.596 1.00 0.20 O ATOM 1504 CB ILE A 104 3.181 0.601 8.677 1.00 0.15 C ATOM 1505 CG1 ILE A 104 3.658 2.057 8.623 1.00 0.17 C ATOM 1506 CG2 ILE A 104 4.119 -0.301 7.880 1.00 0.15 C ATOM 1507 CD1 ILE A 104 3.638 2.657 7.234 1.00 0.17 C ATOM 0 H ILE A 104 1.332 2.215 9.241 1.00 0.17 H new ATOM 0 HA ILE A 104 1.716 0.650 7.070 1.00 0.15 H new ATOM 0 HB ILE A 104 3.192 0.284 9.720 1.00 0.15 H new ATOM 0 HG12 ILE A 104 3.029 2.660 9.278 1.00 0.17 H new ATOM 0 HG13 ILE A 104 4.673 2.112 9.017 1.00 0.17 H new ATOM 0 HG21 ILE A 104 5.134 -0.200 8.264 1.00 0.15 H new ATOM 0 HG22 ILE A 104 3.796 -1.338 7.976 1.00 0.15 H new ATOM 0 HG23 ILE A 104 4.098 -0.011 6.830 1.00 0.15 H new ATOM 0 HD11 ILE A 104 3.989 3.688 7.278 1.00 0.17 H new ATOM 0 HD12 ILE A 104 4.290 2.079 6.579 1.00 0.17 H new ATOM 0 HD13 ILE A 104 2.621 2.636 6.843 1.00 0.17 H new ATOM 1519 N VAL A 105 0.832 -1.657 7.405 1.00 0.13 N ATOM 1520 CA VAL A 105 0.430 -3.051 7.525 1.00 0.15 C ATOM 1521 C VAL A 105 1.333 -3.931 6.660 1.00 0.15 C ATOM 1522 O VAL A 105 1.492 -3.687 5.462 1.00 0.17 O ATOM 1523 CB VAL A 105 -1.064 -3.248 7.136 1.00 0.21 C ATOM 1524 CG1 VAL A 105 -1.402 -2.503 5.859 1.00 1.04 C ATOM 1525 CG2 VAL A 105 -1.416 -4.723 6.979 1.00 1.04 C ATOM 0 H VAL A 105 0.758 -1.281 6.460 1.00 0.13 H new ATOM 0 HA VAL A 105 0.538 -3.348 8.568 1.00 0.15 H new ATOM 0 HB VAL A 105 -1.658 -2.837 7.952 1.00 0.21 H new ATOM 0 HG11 VAL A 105 -2.452 -2.660 5.613 1.00 1.04 H new ATOM 0 HG12 VAL A 105 -1.217 -1.438 5.999 1.00 1.04 H new ATOM 0 HG13 VAL A 105 -0.780 -2.875 5.045 1.00 1.04 H new ATOM 0 HG21 VAL A 105 -2.467 -4.819 6.707 1.00 1.04 H new ATOM 0 HG22 VAL A 105 -0.797 -5.163 6.197 1.00 1.04 H new ATOM 0 HG23 VAL A 105 -1.236 -5.242 7.920 1.00 1.04 H new ATOM 1535 N GLN A 106 1.951 -4.933 7.272 1.00 0.18 N ATOM 1536 CA GLN A 106 2.807 -5.848 6.536 1.00 0.20 C ATOM 1537 C GLN A 106 1.979 -6.967 5.923 1.00 0.23 C ATOM 1538 O GLN A 106 0.925 -7.335 6.444 1.00 0.29 O ATOM 1539 CB GLN A 106 3.889 -6.447 7.438 1.00 0.24 C ATOM 1540 CG GLN A 106 4.887 -5.434 7.976 1.00 0.25 C ATOM 1541 CD GLN A 106 6.046 -6.097 8.698 1.00 0.30 C ATOM 1542 OE1 GLN A 106 5.976 -6.344 9.900 1.00 0.55 O ATOM 1543 NE2 GLN A 106 7.123 -6.379 7.973 1.00 0.28 N ATOM 0 H GLN A 106 1.875 -5.130 8.270 1.00 0.18 H new ATOM 0 HA GLN A 106 3.295 -5.279 5.744 1.00 0.20 H new ATOM 0 HB2 GLN A 106 3.408 -6.948 8.279 1.00 0.24 H new ATOM 0 HB3 GLN A 106 4.430 -7.211 6.879 1.00 0.24 H new ATOM 0 HG2 GLN A 106 5.271 -4.832 7.152 1.00 0.25 H new ATOM 0 HG3 GLN A 106 4.378 -4.753 8.658 1.00 0.25 H new ATOM 0 HE21 GLN A 106 7.140 -6.157 6.978 1.00 0.28 H new ATOM 0 HE22 GLN A 106 7.933 -6.817 8.412 1.00 0.28 H new ATOM 1552 N THR A 107 2.455 -7.495 4.814 1.00 0.22 N ATOM 1553 CA THR A 107 1.771 -8.561 4.114 1.00 0.27 C ATOM 1554 C THR A 107 2.731 -9.692 3.779 1.00 0.34 C ATOM 1555 O THR A 107 3.883 -9.690 4.222 1.00 0.37 O ATOM 1556 CB THR A 107 1.136 -8.037 2.821 1.00 0.26 C ATOM 1557 OG1 THR A 107 2.073 -7.193 2.140 1.00 0.22 O ATOM 1558 CG2 THR A 107 -0.147 -7.272 3.112 1.00 0.27 C ATOM 0 H THR A 107 3.326 -7.197 4.374 1.00 0.22 H new ATOM 0 HA THR A 107 0.989 -8.941 4.772 1.00 0.27 H new ATOM 0 HB THR A 107 0.881 -8.886 2.187 1.00 0.26 H new ATOM 0 HG1 THR A 107 1.636 -6.351 1.894 1.00 0.22 H new ATOM 0 HG21 THR A 107 -0.576 -6.912 2.177 1.00 0.27 H new ATOM 0 HG22 THR A 107 -0.859 -7.931 3.608 1.00 0.27 H new ATOM 0 HG23 THR A 107 0.074 -6.424 3.760 1.00 0.27 H new ATOM 1566 N ASP A 108 2.249 -10.648 2.998 1.00 0.40 N ATOM 1567 CA ASP A 108 3.042 -11.802 2.595 1.00 0.49 C ATOM 1568 C ASP A 108 4.345 -11.389 1.915 1.00 0.45 C ATOM 1569 O ASP A 108 5.417 -11.887 2.261 1.00 0.53 O ATOM 1570 CB ASP A 108 2.234 -12.695 1.649 1.00 0.60 C ATOM 1571 CG ASP A 108 1.067 -13.374 2.334 1.00 1.37 C ATOM 1572 OD1 ASP A 108 1.262 -14.455 2.923 1.00 2.16 O ATOM 1573 OD2 ASP A 108 -0.055 -12.827 2.283 1.00 1.67 O ATOM 0 H ASP A 108 1.299 -10.646 2.626 1.00 0.40 H new ATOM 0 HA ASP A 108 3.293 -12.354 3.501 1.00 0.49 H new ATOM 0 HB2 ASP A 108 1.862 -12.094 0.819 1.00 0.60 H new ATOM 0 HB3 ASP A 108 2.891 -13.454 1.224 1.00 0.60 H new ATOM 1578 N SER A 109 4.261 -10.473 0.959 1.00 0.39 N ATOM 1579 CA SER A 109 5.422 -10.144 0.148 1.00 0.43 C ATOM 1580 C SER A 109 6.019 -8.778 0.494 1.00 0.53 C ATOM 1581 O SER A 109 7.036 -8.399 -0.075 1.00 1.09 O ATOM 1582 CB SER A 109 5.062 -10.199 -1.339 1.00 0.47 C ATOM 1583 OG SER A 109 6.228 -10.344 -2.141 1.00 0.60 O ATOM 0 H SER A 109 3.414 -9.953 0.730 1.00 0.39 H new ATOM 0 HA SER A 109 6.184 -10.891 0.370 1.00 0.43 H new ATOM 0 HB2 SER A 109 4.384 -11.033 -1.522 1.00 0.47 H new ATOM 0 HB3 SER A 109 4.532 -9.290 -1.622 1.00 0.47 H new ATOM 0 HG SER A 109 7.016 -10.415 -1.563 1.00 0.60 H new ATOM 1589 N GLY A 110 5.408 -8.023 1.395 1.00 0.22 N ATOM 1590 CA GLY A 110 6.036 -6.801 1.822 1.00 0.19 C ATOM 1591 C GLY A 110 5.164 -5.953 2.712 1.00 0.16 C ATOM 1592 O GLY A 110 4.592 -6.429 3.688 1.00 0.24 O ATOM 0 H GLY A 110 4.508 -8.232 1.827 1.00 0.22 H new ATOM 0 HA2 GLY A 110 6.957 -7.042 2.353 1.00 0.19 H new ATOM 0 HA3 GLY A 110 6.317 -6.221 0.943 1.00 0.19 H new ATOM 1596 N LEU A 111 5.045 -4.700 2.340 1.00 0.12 N ATOM 1597 CA LEU A 111 4.420 -3.676 3.174 1.00 0.11 C ATOM 1598 C LEU A 111 3.319 -2.957 2.417 1.00 0.11 C ATOM 1599 O LEU A 111 3.378 -2.840 1.194 1.00 0.13 O ATOM 1600 CB LEU A 111 5.462 -2.647 3.604 1.00 0.12 C ATOM 1601 CG LEU A 111 6.102 -2.854 4.976 1.00 0.14 C ATOM 1602 CD1 LEU A 111 6.769 -4.213 5.083 1.00 0.15 C ATOM 1603 CD2 LEU A 111 7.105 -1.749 5.227 1.00 0.19 C ATOM 0 H LEU A 111 5.380 -4.350 1.442 1.00 0.12 H new ATOM 0 HA LEU A 111 3.994 -4.171 4.047 1.00 0.11 H new ATOM 0 HB2 LEU A 111 6.255 -2.633 2.857 1.00 0.12 H new ATOM 0 HB3 LEU A 111 4.994 -1.663 3.591 1.00 0.12 H new ATOM 0 HG LEU A 111 5.319 -2.820 5.734 1.00 0.14 H new ATOM 0 HD11 LEU A 111 7.213 -4.324 6.072 1.00 0.15 H new ATOM 0 HD12 LEU A 111 6.026 -4.996 4.929 1.00 0.15 H new ATOM 0 HD13 LEU A 111 7.548 -4.297 4.325 1.00 0.15 H new ATOM 0 HD21 LEU A 111 7.565 -1.891 6.205 1.00 0.19 H new ATOM 0 HD22 LEU A 111 7.875 -1.775 4.456 1.00 0.19 H new ATOM 0 HD23 LEU A 111 6.598 -0.785 5.201 1.00 0.19 H new ATOM 1615 N HIS A 112 2.318 -2.471 3.142 1.00 0.11 N ATOM 1616 CA HIS A 112 1.227 -1.732 2.526 1.00 0.12 C ATOM 1617 C HIS A 112 0.684 -0.635 3.428 1.00 0.14 C ATOM 1618 O HIS A 112 0.752 -0.721 4.653 1.00 0.22 O ATOM 1619 CB HIS A 112 0.062 -2.659 2.172 1.00 0.14 C ATOM 1620 CG HIS A 112 0.332 -3.586 1.039 1.00 0.16 C ATOM 1621 ND1 HIS A 112 0.856 -4.827 1.026 1.00 0.19 N flip ATOM 1622 CD2 HIS A 112 0.024 -3.286 -0.268 1.00 0.18 C flip ATOM 1623 CE1 HIS A 112 0.848 -5.258 -0.274 1.00 0.22 C flip ATOM 1624 NE2 HIS A 112 0.341 -4.311 -1.036 1.00 0.21 N flip ATOM 0 H HIS A 112 2.241 -2.576 4.154 1.00 0.11 H new ATOM 0 HA HIS A 112 1.649 -1.283 1.627 1.00 0.12 H new ATOM 0 HB2 HIS A 112 -0.198 -3.247 3.052 1.00 0.14 H new ATOM 0 HB3 HIS A 112 -0.808 -2.050 1.927 1.00 0.14 H new ATOM 0 HD2 HIS A 112 -0.409 -2.358 -0.611 1.00 0.18 H new ATOM 0 HE1 HIS A 112 1.200 -6.219 -0.619 1.00 0.22 H new ATOM 0 HE2 HIS A 112 0.215 -4.361 -2.047 1.00 0.21 H new ATOM 1633 N ILE A 113 0.191 0.412 2.792 1.00 0.12 N ATOM 1634 CA ILE A 113 -0.758 1.328 3.398 1.00 0.13 C ATOM 1635 C ILE A 113 -1.937 1.453 2.448 1.00 0.12 C ATOM 1636 O ILE A 113 -1.742 1.506 1.230 1.00 0.14 O ATOM 1637 CB ILE A 113 -0.162 2.725 3.671 1.00 0.14 C ATOM 1638 CG1 ILE A 113 0.687 3.182 2.486 1.00 0.15 C ATOM 1639 CG2 ILE A 113 0.661 2.703 4.951 1.00 0.15 C ATOM 1640 CD1 ILE A 113 0.761 4.677 2.330 1.00 0.17 C ATOM 0 H ILE A 113 0.440 0.652 1.833 1.00 0.12 H new ATOM 0 HA ILE A 113 -1.054 0.929 4.368 1.00 0.13 H new ATOM 0 HB ILE A 113 -0.977 3.437 3.799 1.00 0.14 H new ATOM 0 HG12 ILE A 113 1.697 2.788 2.602 1.00 0.15 H new ATOM 0 HG13 ILE A 113 0.279 2.751 1.572 1.00 0.15 H new ATOM 0 HG21 ILE A 113 1.077 3.694 5.133 1.00 0.15 H new ATOM 0 HG22 ILE A 113 0.024 2.417 5.788 1.00 0.15 H new ATOM 0 HG23 ILE A 113 1.472 1.982 4.849 1.00 0.15 H new ATOM 0 HD11 ILE A 113 1.381 4.923 1.468 1.00 0.17 H new ATOM 0 HD12 ILE A 113 -0.242 5.077 2.182 1.00 0.17 H new ATOM 0 HD13 ILE A 113 1.198 5.115 3.227 1.00 0.17 H new ATOM 1652 N ILE A 114 -3.148 1.443 2.974 1.00 0.11 N ATOM 1653 CA ILE A 114 -4.326 1.454 2.125 1.00 0.11 C ATOM 1654 C ILE A 114 -5.308 2.526 2.575 1.00 0.11 C ATOM 1655 O ILE A 114 -5.442 2.788 3.764 1.00 0.12 O ATOM 1656 CB ILE A 114 -5.063 0.088 2.119 1.00 0.12 C ATOM 1657 CG1 ILE A 114 -4.087 -1.091 2.038 1.00 0.15 C ATOM 1658 CG2 ILE A 114 -6.034 0.027 0.955 1.00 0.12 C ATOM 1659 CD1 ILE A 114 -3.650 -1.616 3.388 1.00 0.18 C ATOM 0 H ILE A 114 -3.342 1.427 3.975 1.00 0.11 H new ATOM 0 HA ILE A 114 -3.971 1.665 1.116 1.00 0.11 H new ATOM 0 HB ILE A 114 -5.607 0.007 3.060 1.00 0.12 H new ATOM 0 HG12 ILE A 114 -4.555 -1.900 1.478 1.00 0.15 H new ATOM 0 HG13 ILE A 114 -3.206 -0.783 1.476 1.00 0.15 H new ATOM 0 HG21 ILE A 114 -6.547 -0.935 0.959 1.00 0.12 H new ATOM 0 HG22 ILE A 114 -6.766 0.829 1.050 1.00 0.12 H new ATOM 0 HG23 ILE A 114 -5.488 0.143 0.019 1.00 0.12 H new ATOM 0 HD11 ILE A 114 -2.961 -2.449 3.249 1.00 0.18 H new ATOM 0 HD12 ILE A 114 -3.152 -0.821 3.943 1.00 0.18 H new ATOM 0 HD13 ILE A 114 -4.522 -1.956 3.946 1.00 0.18 H new ATOM 1671 N LYS A 115 -5.975 3.150 1.622 1.00 0.13 N ATOM 1672 CA LYS A 115 -7.053 4.074 1.928 1.00 0.14 C ATOM 1673 C LYS A 115 -8.289 3.660 1.138 1.00 0.15 C ATOM 1674 O LYS A 115 -8.174 3.212 -0.005 1.00 0.16 O ATOM 1675 CB LYS A 115 -6.658 5.519 1.590 1.00 0.16 C ATOM 1676 CG LYS A 115 -6.821 5.891 0.126 1.00 0.22 C ATOM 1677 CD LYS A 115 -6.477 7.349 -0.126 1.00 0.24 C ATOM 1678 CE LYS A 115 -7.089 7.844 -1.428 1.00 0.35 C ATOM 1679 NZ LYS A 115 -6.748 9.264 -1.708 1.00 0.61 N ATOM 0 H LYS A 115 -5.789 3.034 0.626 1.00 0.13 H new ATOM 0 HA LYS A 115 -7.265 4.037 2.996 1.00 0.14 H new ATOM 0 HB2 LYS A 115 -7.261 6.198 2.193 1.00 0.16 H new ATOM 0 HB3 LYS A 115 -5.618 5.675 1.878 1.00 0.16 H new ATOM 0 HG2 LYS A 115 -6.180 5.255 -0.484 1.00 0.22 H new ATOM 0 HG3 LYS A 115 -7.848 5.701 -0.186 1.00 0.22 H new ATOM 0 HD2 LYS A 115 -6.838 7.958 0.703 1.00 0.24 H new ATOM 0 HD3 LYS A 115 -5.394 7.468 -0.162 1.00 0.24 H new ATOM 0 HE2 LYS A 115 -6.741 7.220 -2.251 1.00 0.35 H new ATOM 0 HE3 LYS A 115 -8.173 7.735 -1.382 1.00 0.35 H new ATOM 0 HZ1 LYS A 115 -7.187 9.556 -2.604 1.00 0.61 H new ATOM 0 HZ2 LYS A 115 -7.103 9.865 -0.937 1.00 0.61 H new ATOM 0 HZ3 LYS A 115 -5.715 9.366 -1.779 1.00 0.61 H new ATOM 1693 N ARG A 116 -9.465 3.781 1.738 1.00 0.15 N ATOM 1694 CA ARG A 116 -10.685 3.402 1.044 1.00 0.17 C ATOM 1695 C ARG A 116 -11.130 4.494 0.083 1.00 0.19 C ATOM 1696 O ARG A 116 -11.125 5.678 0.415 1.00 0.22 O ATOM 1697 CB ARG A 116 -11.820 3.060 2.019 1.00 0.21 C ATOM 1698 CG ARG A 116 -13.176 3.038 1.339 1.00 0.28 C ATOM 1699 CD ARG A 116 -14.145 2.049 1.943 1.00 0.49 C ATOM 1700 NE ARG A 116 -14.436 2.289 3.343 1.00 0.79 N ATOM 1701 CZ ARG A 116 -15.676 2.318 3.836 1.00 0.88 C ATOM 1702 NH1 ARG A 116 -16.724 2.294 3.013 1.00 0.97 N ATOM 1703 NH2 ARG A 116 -15.875 2.394 5.144 1.00 1.87 N ATOM 0 H ARG A 116 -9.599 4.132 2.686 1.00 0.15 H new ATOM 0 HA ARG A 116 -10.456 2.503 0.472 1.00 0.17 H new ATOM 0 HB2 ARG A 116 -11.627 2.087 2.471 1.00 0.21 H new ATOM 0 HB3 ARG A 116 -11.833 3.790 2.828 1.00 0.21 H new ATOM 0 HG2 ARG A 116 -13.612 4.036 1.387 1.00 0.28 H new ATOM 0 HG3 ARG A 116 -13.039 2.800 0.284 1.00 0.28 H new ATOM 0 HD2 ARG A 116 -15.077 2.078 1.379 1.00 0.49 H new ATOM 0 HD3 ARG A 116 -13.738 1.044 1.834 1.00 0.49 H new ATOM 0 HE ARG A 116 -13.656 2.443 3.982 1.00 0.79 H new ATOM 0 HH11 ARG A 116 -16.579 2.253 2.004 1.00 0.97 H new ATOM 0 HH12 ARG A 116 -17.671 2.316 3.392 1.00 0.97 H new ATOM 0 HH21 ARG A 116 -15.078 2.431 5.780 1.00 1.87 H new ATOM 0 HH22 ARG A 116 -16.825 2.416 5.515 1.00 1.87 H new ATOM 1717 N LEU A 117 -11.495 4.073 -1.115 1.00 0.22 N ATOM 1718 CA LEU A 117 -11.986 4.967 -2.154 1.00 0.27 C ATOM 1719 C LEU A 117 -13.506 4.860 -2.257 1.00 0.29 C ATOM 1720 O LEU A 117 -14.186 5.829 -2.584 1.00 0.37 O ATOM 1721 CB LEU A 117 -11.352 4.601 -3.504 1.00 0.32 C ATOM 1722 CG LEU A 117 -9.960 5.178 -3.804 1.00 0.39 C ATOM 1723 CD1 LEU A 117 -10.062 6.622 -4.246 1.00 0.89 C ATOM 1724 CD2 LEU A 117 -9.036 5.060 -2.605 1.00 0.80 C ATOM 0 H LEU A 117 -11.459 3.094 -1.398 1.00 0.22 H new ATOM 0 HA LEU A 117 -11.714 5.990 -1.896 1.00 0.27 H new ATOM 0 HB2 LEU A 117 -11.288 3.515 -3.564 1.00 0.32 H new ATOM 0 HB3 LEU A 117 -12.029 4.924 -4.294 1.00 0.32 H new ATOM 0 HG LEU A 117 -9.532 4.591 -4.617 1.00 0.39 H new ATOM 0 HD11 LEU A 117 -9.065 7.010 -4.453 1.00 0.89 H new ATOM 0 HD12 LEU A 117 -10.670 6.684 -5.148 1.00 0.89 H new ATOM 0 HD13 LEU A 117 -10.524 7.213 -3.455 1.00 0.89 H new ATOM 0 HD21 LEU A 117 -8.061 5.478 -2.855 1.00 0.80 H new ATOM 0 HD22 LEU A 117 -9.461 5.607 -1.763 1.00 0.80 H new ATOM 0 HD23 LEU A 117 -8.922 4.010 -2.335 1.00 0.80 H new ATOM 1736 N ALA A 118 -14.024 3.664 -1.987 1.00 0.26 N ATOM 1737 CA ALA A 118 -15.461 3.417 -2.011 1.00 0.30 C ATOM 1738 C ALA A 118 -15.821 2.278 -1.061 1.00 0.30 C ATOM 1739 O ALA A 118 -15.487 1.119 -1.373 1.00 1.10 O ATOM 1740 CB ALA A 118 -15.931 3.099 -3.425 1.00 0.39 C ATOM 1741 OXT ALA A 118 -16.427 2.550 -0.001 1.00 1.09 O ATOM 0 H ALA A 118 -13.464 2.846 -1.747 1.00 0.26 H new ATOM 0 HA ALA A 118 -15.969 4.322 -1.678 1.00 0.30 H new ATOM 0 HB1 ALA A 118 -17.006 2.918 -3.419 1.00 0.39 H new ATOM 0 HB2 ALA A 118 -15.708 3.941 -4.080 1.00 0.39 H new ATOM 0 HB3 ALA A 118 -15.416 2.210 -3.788 1.00 0.39 H new TER 1747 ALA A 118