USER MOD reduce.3.24.130724 H: found=0, std=0, add=976, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 975 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 121 CYS SG : rot 180:sc= 0 USER MOD Set 1.2: A 125 ASN : amide:sc= -0.103 K(o=-0.1,f=-2.1!) USER MOD Set 2.1: A 116 GLN : amide:sc=-0.00164 K(o=-3.8,f=-5.2!) USER MOD Set 2.2: A 120 HIS : no HD1:sc= -3.77! X(o=-3.8!,f=-4.1) USER MOD Set 3.1: A 50 GLN :FLIP amide:sc= -3.6! C(o=-14!,f=-7.3!) USER MOD Set 3.2: A 52 THR OG1 : rot -139:sc= -0.363! USER MOD Set 3.3: A 58 HIS : no HE2:sc= -3.37! C(o=-7.3!,f=-17!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 MET CE :methyl 177:sc= -0.17 (180deg=-0.22) USER MOD Single : A 32 SER OG : rot 180:sc= -0.196 USER MOD Single : A 34 LYS NZ :NH3+ 149:sc= -0.187 (180deg=-1.61!) USER MOD Single : A 36 THR OG1 : rot 56:sc= 0.0575! USER MOD Single : A 37 THR OG1 : rot 85:sc= 0.923 USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.366 USER MOD Single : A 42 LYS NZ :NH3+ 159:sc= 0 (180deg=-0.408) USER MOD Single : A 44 LYS NZ :NH3+ 163:sc= -0.031 (180deg=-0.399) USER MOD Single : A 48 TYR OH : rot 180:sc= -0.702 USER MOD Single : A 51 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 55 SER OG : rot 96:sc= -0.466! USER MOD Single : A 60 CYS SG : rot 180:sc= -0.0639 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 92:sc= 0.138 USER MOD Single : A 68 ASN : amide:sc= -0.0149 K(o=-0.015,f=-1.1) USER MOD Single : A 80 CYS SG : rot 53:sc= -2.52! USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 GLN :FLIP amide:sc= -6.8! C(o=-11!,f=-6.8!) USER MOD Single : A 88 CYS SG : rot 180:sc= -0.807 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ -163:sc= -0.0658 (180deg=-0.412) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 LYS NZ :NH3+ 143:sc= 1.39 (180deg=-0.315!) USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 GLN :FLIP amide:sc= -7.69! C(o=-19!,f=-7.7!) USER MOD Single : A 113 LYS NZ :NH3+ 140:sc= 0.0229 (180deg=-0.815) USER MOD Single : A 114 THR OG1 : rot 70:sc= -0.537 USER MOD Single : A 123 LYS NZ :NH3+ -133:sc= -0.402 (180deg=-2.06!) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 129 ASN : amide:sc= -1.48! C(o=-1.5!,f=-3.5!) USER MOD Single : B 950 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 17 N LYS A 21 96.275 -5.395 19.325 1.00 0.00 N ATOM 18 CA LYS A 21 96.155 -4.101 18.667 1.00 0.00 C ATOM 19 C LYS A 21 95.927 -4.291 17.167 1.00 0.00 C ATOM 20 O LYS A 21 95.150 -3.565 16.549 1.00 0.00 O ATOM 21 CB LYS A 21 97.425 -3.278 18.906 1.00 0.00 C ATOM 22 CG LYS A 21 97.565 -2.995 20.405 1.00 0.00 C ATOM 23 CD LYS A 21 98.685 -1.978 20.643 1.00 0.00 C ATOM 24 CE LYS A 21 98.101 -0.564 20.653 1.00 0.00 C ATOM 25 NZ LYS A 21 99.192 0.423 20.899 1.00 0.00 N ATOM 0 HA LYS A 21 95.301 -3.568 19.085 1.00 0.00 H new ATOM 0 HB2 LYS A 21 98.298 -3.820 18.543 1.00 0.00 H new ATOM 0 HB3 LYS A 21 97.377 -2.342 18.350 1.00 0.00 H new ATOM 0 HG2 LYS A 21 96.624 -2.612 20.801 1.00 0.00 H new ATOM 0 HG3 LYS A 21 97.782 -3.920 20.939 1.00 0.00 H new ATOM 0 HD2 LYS A 21 99.181 -2.184 21.591 1.00 0.00 H new ATOM 0 HD3 LYS A 21 99.441 -2.065 19.862 1.00 0.00 H new ATOM 0 HE2 LYS A 21 97.614 -0.354 19.701 1.00 0.00 H new ATOM 0 HE3 LYS A 21 97.338 -0.480 21.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 98.795 1.384 20.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 99.638 0.226 21.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 99.905 0.348 20.145 1.00 0.00 H new ATOM 39 N TYR A 22 96.612 -5.280 16.598 1.00 0.00 N ATOM 40 CA TYR A 22 96.488 -5.582 15.173 1.00 0.00 C ATOM 41 C TYR A 22 95.962 -7.000 14.977 1.00 0.00 C ATOM 42 O TYR A 22 96.694 -7.888 14.540 1.00 0.00 O ATOM 43 CB TYR A 22 97.852 -5.452 14.493 1.00 0.00 C ATOM 44 CG TYR A 22 98.461 -4.118 14.848 1.00 0.00 C ATOM 45 CD1 TYR A 22 99.659 -4.058 15.571 1.00 0.00 C ATOM 46 CD2 TYR A 22 97.819 -2.938 14.457 1.00 0.00 C ATOM 47 CE1 TYR A 22 100.216 -2.817 15.899 1.00 0.00 C ATOM 48 CE2 TYR A 22 98.377 -1.697 14.785 1.00 0.00 C ATOM 49 CZ TYR A 22 99.575 -1.636 15.506 1.00 0.00 C ATOM 50 OH TYR A 22 100.124 -0.412 15.830 1.00 0.00 O ATOM 0 H TYR A 22 97.259 -5.887 17.102 1.00 0.00 H new ATOM 0 HA TYR A 22 95.788 -4.875 14.728 1.00 0.00 H new ATOM 0 HB2 TYR A 22 98.509 -6.261 14.812 1.00 0.00 H new ATOM 0 HB3 TYR A 22 97.742 -5.538 13.412 1.00 0.00 H new ATOM 0 HD1 TYR A 22 100.153 -4.969 15.875 1.00 0.00 H new ATOM 0 HD2 TYR A 22 96.893 -2.985 13.902 1.00 0.00 H new ATOM 0 HE1 TYR A 22 101.140 -2.770 16.455 1.00 0.00 H new ATOM 0 HE2 TYR A 22 97.883 -0.786 14.482 1.00 0.00 H new ATOM 0 HH TYR A 22 99.554 0.305 15.481 1.00 0.00 H new ATOM 60 N LEU A 23 94.692 -7.209 15.310 1.00 0.00 N ATOM 61 CA LEU A 23 94.087 -8.532 15.170 1.00 0.00 C ATOM 62 C LEU A 23 94.073 -8.955 13.705 1.00 0.00 C ATOM 63 O LEU A 23 94.484 -10.063 13.361 1.00 0.00 O ATOM 64 CB LEU A 23 92.652 -8.507 15.719 1.00 0.00 C ATOM 65 CG LEU A 23 91.997 -9.890 15.573 1.00 0.00 C ATOM 66 CD1 LEU A 23 92.790 -10.926 16.372 1.00 0.00 C ATOM 67 CD2 LEU A 23 90.564 -9.830 16.111 1.00 0.00 C ATOM 0 H LEU A 23 94.067 -6.490 15.674 1.00 0.00 H new ATOM 0 HA LEU A 23 94.678 -9.251 15.737 1.00 0.00 H new ATOM 0 HB2 LEU A 23 92.663 -8.212 16.768 1.00 0.00 H new ATOM 0 HB3 LEU A 23 92.064 -7.761 15.184 1.00 0.00 H new ATOM 0 HG LEU A 23 91.987 -10.174 14.521 1.00 0.00 H new ATOM 0 HD11 LEU A 23 92.321 -11.904 16.265 1.00 0.00 H new ATOM 0 HD12 LEU A 23 93.812 -10.970 15.997 1.00 0.00 H new ATOM 0 HD13 LEU A 23 92.802 -10.643 17.424 1.00 0.00 H new ATOM 0 HD21 LEU A 23 90.096 -10.809 16.009 1.00 0.00 H new ATOM 0 HD22 LEU A 23 90.582 -9.544 17.163 1.00 0.00 H new ATOM 0 HD23 LEU A 23 89.993 -9.094 15.544 1.00 0.00 H new ATOM 79 N VAL A 24 93.600 -8.056 12.852 1.00 0.00 N ATOM 80 CA VAL A 24 93.530 -8.323 11.422 1.00 0.00 C ATOM 81 C VAL A 24 93.864 -7.071 10.628 1.00 0.00 C ATOM 82 O VAL A 24 93.468 -5.963 10.988 1.00 0.00 O ATOM 83 CB VAL A 24 92.135 -8.828 11.048 1.00 0.00 C ATOM 84 CG1 VAL A 24 91.847 -8.531 9.576 1.00 0.00 C ATOM 85 CG2 VAL A 24 92.063 -10.339 11.269 1.00 0.00 C ATOM 0 H VAL A 24 93.259 -7.135 13.126 1.00 0.00 H new ATOM 0 HA VAL A 24 94.262 -9.093 11.178 1.00 0.00 H new ATOM 0 HB VAL A 24 91.399 -8.323 11.673 1.00 0.00 H new ATOM 0 HG11 VAL A 24 90.852 -8.894 9.319 1.00 0.00 H new ATOM 0 HG12 VAL A 24 91.896 -7.456 9.405 1.00 0.00 H new ATOM 0 HG13 VAL A 24 92.588 -9.031 8.952 1.00 0.00 H new ATOM 0 HG21 VAL A 24 91.069 -10.699 11.003 1.00 0.00 H new ATOM 0 HG22 VAL A 24 92.807 -10.834 10.645 1.00 0.00 H new ATOM 0 HG23 VAL A 24 92.261 -10.563 12.317 1.00 0.00 H new ATOM 95 N GLU A 25 94.589 -7.258 9.541 1.00 0.00 N ATOM 96 CA GLU A 25 94.971 -6.141 8.689 1.00 0.00 C ATOM 97 C GLU A 25 95.136 -6.604 7.246 1.00 0.00 C ATOM 98 O GLU A 25 95.909 -7.518 6.960 1.00 0.00 O ATOM 99 CB GLU A 25 96.279 -5.530 9.199 1.00 0.00 C ATOM 100 CG GLU A 25 97.207 -6.640 9.700 1.00 0.00 C ATOM 101 CD GLU A 25 98.567 -6.054 10.068 1.00 0.00 C ATOM 102 OE1 GLU A 25 99.269 -5.627 9.167 1.00 0.00 O ATOM 103 OE2 GLU A 25 98.885 -6.039 11.246 1.00 0.00 O ATOM 0 H GLU A 25 94.925 -8.168 9.226 1.00 0.00 H new ATOM 0 HA GLU A 25 94.185 -5.387 8.721 1.00 0.00 H new ATOM 0 HB2 GLU A 25 96.765 -4.969 8.401 1.00 0.00 H new ATOM 0 HB3 GLU A 25 96.072 -4.825 10.004 1.00 0.00 H new ATOM 0 HG2 GLU A 25 96.766 -7.131 10.568 1.00 0.00 H new ATOM 0 HG3 GLU A 25 97.326 -7.402 8.929 1.00 0.00 H new ATOM 110 N PHE A 26 94.402 -5.964 6.338 1.00 0.00 N ATOM 111 CA PHE A 26 94.475 -6.320 4.923 1.00 0.00 C ATOM 112 C PHE A 26 94.485 -5.076 4.035 1.00 0.00 C ATOM 113 O PHE A 26 93.891 -4.051 4.368 1.00 0.00 O ATOM 114 CB PHE A 26 93.296 -7.218 4.541 1.00 0.00 C ATOM 115 CG PHE A 26 93.432 -8.563 5.218 1.00 0.00 C ATOM 116 CD1 PHE A 26 92.525 -8.950 6.214 1.00 0.00 C ATOM 117 CD2 PHE A 26 94.466 -9.429 4.840 1.00 0.00 C ATOM 118 CE1 PHE A 26 92.656 -10.201 6.830 1.00 0.00 C ATOM 119 CE2 PHE A 26 94.596 -10.679 5.459 1.00 0.00 C ATOM 120 CZ PHE A 26 93.690 -11.065 6.453 1.00 0.00 C ATOM 0 H PHE A 26 93.756 -5.204 6.553 1.00 0.00 H new ATOM 0 HA PHE A 26 95.408 -6.860 4.765 1.00 0.00 H new ATOM 0 HB2 PHE A 26 92.358 -6.746 4.835 1.00 0.00 H new ATOM 0 HB3 PHE A 26 93.262 -7.348 3.459 1.00 0.00 H new ATOM 0 HD1 PHE A 26 91.726 -8.284 6.506 1.00 0.00 H new ATOM 0 HD2 PHE A 26 95.164 -9.133 4.071 1.00 0.00 H new ATOM 0 HE1 PHE A 26 91.957 -10.499 7.598 1.00 0.00 H new ATOM 0 HE2 PHE A 26 95.395 -11.345 5.169 1.00 0.00 H new ATOM 0 HZ PHE A 26 93.789 -12.029 6.929 1.00 0.00 H new ATOM 130 N ARG A 27 95.160 -5.178 2.894 1.00 0.00 N ATOM 131 CA ARG A 27 95.233 -4.061 1.957 1.00 0.00 C ATOM 132 C ARG A 27 93.984 -4.023 1.077 1.00 0.00 C ATOM 133 O ARG A 27 93.414 -5.064 0.751 1.00 0.00 O ATOM 134 CB ARG A 27 96.481 -4.191 1.082 1.00 0.00 C ATOM 135 CG ARG A 27 97.731 -4.060 1.956 1.00 0.00 C ATOM 136 CD ARG A 27 98.973 -4.358 1.115 1.00 0.00 C ATOM 137 NE ARG A 27 99.115 -3.369 0.054 1.00 0.00 N ATOM 138 CZ ARG A 27 99.987 -3.542 -0.932 1.00 0.00 C ATOM 139 NH1 ARG A 27 100.105 -2.637 -1.865 1.00 0.00 N ATOM 140 NH2 ARG A 27 100.725 -4.617 -0.969 1.00 0.00 N ATOM 0 H ARG A 27 95.661 -6.016 2.597 1.00 0.00 H new ATOM 0 HA ARG A 27 95.291 -3.133 2.526 1.00 0.00 H new ATOM 0 HB2 ARG A 27 96.481 -5.153 0.570 1.00 0.00 H new ATOM 0 HB3 ARG A 27 96.480 -3.420 0.311 1.00 0.00 H new ATOM 0 HG2 ARG A 27 97.793 -3.055 2.373 1.00 0.00 H new ATOM 0 HG3 ARG A 27 97.674 -4.751 2.797 1.00 0.00 H new ATOM 0 HD2 ARG A 27 99.860 -4.351 1.749 1.00 0.00 H new ATOM 0 HD3 ARG A 27 98.897 -5.356 0.683 1.00 0.00 H new ATOM 0 HE ARG A 27 98.535 -2.530 0.069 1.00 0.00 H new ATOM 0 HH11 ARG A 27 99.527 -1.797 -1.837 1.00 0.00 H new ATOM 0 HH12 ARG A 27 100.775 -2.770 -2.623 1.00 0.00 H new ATOM 0 HH21 ARG A 27 100.632 -5.325 -0.240 1.00 0.00 H new ATOM 0 HH22 ARG A 27 101.395 -4.750 -1.727 1.00 0.00 H new ATOM 154 N ALA A 28 93.567 -2.820 0.693 1.00 0.00 N ATOM 155 CA ALA A 28 92.393 -2.661 -0.149 1.00 0.00 C ATOM 156 C ALA A 28 92.408 -1.289 -0.818 1.00 0.00 C ATOM 157 O ALA A 28 92.957 -0.330 -0.276 1.00 0.00 O ATOM 158 CB ALA A 28 91.117 -2.815 0.673 1.00 0.00 C ATOM 0 H ALA A 28 94.025 -1.946 0.952 1.00 0.00 H new ATOM 0 HA ALA A 28 92.414 -3.436 -0.915 1.00 0.00 H new ATOM 0 HB1 ALA A 28 90.249 -2.693 0.025 1.00 0.00 H new ATOM 0 HB2 ALA A 28 91.094 -3.806 1.127 1.00 0.00 H new ATOM 0 HB3 ALA A 28 91.095 -2.057 1.456 1.00 0.00 H new ATOM 164 N GLY A 29 91.808 -1.209 -1.996 1.00 0.00 N ATOM 165 CA GLY A 29 91.758 0.044 -2.742 1.00 0.00 C ATOM 166 C GLY A 29 90.342 0.603 -2.772 1.00 0.00 C ATOM 167 O GLY A 29 89.372 -0.145 -2.874 1.00 0.00 O ATOM 0 H GLY A 29 91.349 -1.994 -2.457 1.00 0.00 H new ATOM 0 HA2 GLY A 29 92.430 0.771 -2.286 1.00 0.00 H new ATOM 0 HA3 GLY A 29 92.110 -0.120 -3.760 1.00 0.00 H new ATOM 171 N LYS A 30 90.228 1.922 -2.683 1.00 0.00 N ATOM 172 CA LYS A 30 88.921 2.566 -2.702 1.00 0.00 C ATOM 173 C LYS A 30 88.451 2.764 -4.144 1.00 0.00 C ATOM 174 O LYS A 30 88.979 2.145 -5.069 1.00 0.00 O ATOM 175 CB LYS A 30 88.996 3.922 -1.996 1.00 0.00 C ATOM 176 CG LYS A 30 87.727 4.147 -1.170 1.00 0.00 C ATOM 177 CD LYS A 30 87.723 5.575 -0.618 1.00 0.00 C ATOM 178 CE LYS A 30 86.429 5.818 0.161 1.00 0.00 C ATOM 179 NZ LYS A 30 86.406 7.220 0.665 1.00 0.00 N ATOM 0 H LYS A 30 91.017 2.562 -2.598 1.00 0.00 H new ATOM 0 HA LYS A 30 88.209 1.927 -2.180 1.00 0.00 H new ATOM 0 HB2 LYS A 30 89.873 3.958 -1.350 1.00 0.00 H new ATOM 0 HB3 LYS A 30 89.109 4.719 -2.731 1.00 0.00 H new ATOM 0 HG2 LYS A 30 86.844 3.982 -1.788 1.00 0.00 H new ATOM 0 HG3 LYS A 30 87.681 3.429 -0.351 1.00 0.00 H new ATOM 0 HD2 LYS A 30 88.585 5.727 0.032 1.00 0.00 H new ATOM 0 HD3 LYS A 30 87.808 6.292 -1.435 1.00 0.00 H new ATOM 0 HE2 LYS A 30 85.567 5.637 -0.481 1.00 0.00 H new ATOM 0 HE3 LYS A 30 86.358 5.120 0.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 85.526 7.384 1.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 87.221 7.377 1.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 86.455 7.879 -0.138 1.00 0.00 H new ATOM 193 N MET A 31 87.461 3.631 -4.326 1.00 0.00 N ATOM 194 CA MET A 31 86.929 3.915 -5.656 1.00 0.00 C ATOM 195 C MET A 31 86.675 5.413 -5.806 1.00 0.00 C ATOM 196 O MET A 31 86.246 6.072 -4.858 1.00 0.00 O ATOM 197 CB MET A 31 85.624 3.146 -5.870 1.00 0.00 C ATOM 198 CG MET A 31 85.937 1.704 -6.277 1.00 0.00 C ATOM 199 SD MET A 31 85.967 1.581 -8.082 1.00 0.00 S ATOM 200 CE MET A 31 84.720 0.277 -8.239 1.00 0.00 C ATOM 0 H MET A 31 87.011 4.149 -3.572 1.00 0.00 H new ATOM 0 HA MET A 31 87.657 3.599 -6.403 1.00 0.00 H new ATOM 0 HB2 MET A 31 85.031 3.156 -4.956 1.00 0.00 H new ATOM 0 HB3 MET A 31 85.027 3.631 -6.642 1.00 0.00 H new ATOM 0 HG2 MET A 31 86.899 1.399 -5.865 1.00 0.00 H new ATOM 0 HG3 MET A 31 85.186 1.028 -5.868 1.00 0.00 H new ATOM 0 HE1 MET A 31 84.536 0.074 -9.294 1.00 0.00 H new ATOM 0 HE2 MET A 31 85.079 -0.630 -7.752 1.00 0.00 H new ATOM 0 HE3 MET A 31 83.793 0.601 -7.765 1.00 0.00 H new ATOM 210 N SER A 32 86.939 5.953 -6.995 1.00 0.00 N ATOM 211 CA SER A 32 86.731 7.373 -7.231 1.00 0.00 C ATOM 212 C SER A 32 85.246 7.659 -7.452 1.00 0.00 C ATOM 213 O SER A 32 84.604 6.997 -8.264 1.00 0.00 O ATOM 214 CB SER A 32 87.529 7.809 -8.461 1.00 0.00 C ATOM 215 OG SER A 32 88.917 7.619 -8.211 1.00 0.00 O ATOM 0 H SER A 32 87.293 5.433 -7.798 1.00 0.00 H new ATOM 0 HA SER A 32 87.071 7.932 -6.359 1.00 0.00 H new ATOM 0 HB2 SER A 32 87.222 7.230 -9.332 1.00 0.00 H new ATOM 0 HB3 SER A 32 87.328 8.856 -8.687 1.00 0.00 H new ATOM 0 HG SER A 32 89.432 7.896 -8.998 1.00 0.00 H new ATOM 221 N LEU A 33 84.713 8.648 -6.733 1.00 0.00 N ATOM 222 CA LEU A 33 83.300 9.010 -6.870 1.00 0.00 C ATOM 223 C LEU A 33 83.146 10.442 -7.360 1.00 0.00 C ATOM 224 O LEU A 33 83.640 11.383 -6.739 1.00 0.00 O ATOM 225 CB LEU A 33 82.572 8.844 -5.535 1.00 0.00 C ATOM 226 CG LEU A 33 81.656 7.613 -5.594 1.00 0.00 C ATOM 227 CD1 LEU A 33 81.054 7.366 -4.210 1.00 0.00 C ATOM 228 CD2 LEU A 33 80.516 7.842 -6.604 1.00 0.00 C ATOM 0 H LEU A 33 85.231 9.208 -6.056 1.00 0.00 H new ATOM 0 HA LEU A 33 82.857 8.340 -7.607 1.00 0.00 H new ATOM 0 HB2 LEU A 33 83.295 8.733 -4.727 1.00 0.00 H new ATOM 0 HB3 LEU A 33 81.985 9.736 -5.317 1.00 0.00 H new ATOM 0 HG LEU A 33 82.243 6.750 -5.909 1.00 0.00 H new ATOM 0 HD11 LEU A 33 80.403 6.493 -4.247 1.00 0.00 H new ATOM 0 HD12 LEU A 33 81.854 7.192 -3.491 1.00 0.00 H new ATOM 0 HD13 LEU A 33 80.475 8.238 -3.904 1.00 0.00 H new ATOM 0 HD21 LEU A 33 79.875 6.961 -6.635 1.00 0.00 H new ATOM 0 HD22 LEU A 33 79.928 8.708 -6.299 1.00 0.00 H new ATOM 0 HD23 LEU A 33 80.937 8.019 -7.594 1.00 0.00 H new ATOM 240 N LYS A 34 82.471 10.591 -8.493 1.00 0.00 N ATOM 241 CA LYS A 34 82.265 11.899 -9.084 1.00 0.00 C ATOM 242 C LYS A 34 81.021 11.909 -9.974 1.00 0.00 C ATOM 243 O LYS A 34 80.812 10.992 -10.769 1.00 0.00 O ATOM 244 CB LYS A 34 83.510 12.290 -9.895 1.00 0.00 C ATOM 245 CG LYS A 34 84.040 11.084 -10.710 1.00 0.00 C ATOM 246 CD LYS A 34 85.543 11.239 -10.992 1.00 0.00 C ATOM 247 CE LYS A 34 86.108 9.893 -11.462 1.00 0.00 C ATOM 248 NZ LYS A 34 85.443 9.497 -12.734 1.00 0.00 N ATOM 0 H LYS A 34 82.059 9.820 -9.018 1.00 0.00 H new ATOM 0 HA LYS A 34 82.107 12.626 -8.288 1.00 0.00 H new ATOM 0 HB2 LYS A 34 83.267 13.111 -10.569 1.00 0.00 H new ATOM 0 HB3 LYS A 34 84.289 12.650 -9.223 1.00 0.00 H new ATOM 0 HG2 LYS A 34 83.861 10.160 -10.160 1.00 0.00 H new ATOM 0 HG3 LYS A 34 83.494 11.006 -11.650 1.00 0.00 H new ATOM 0 HD2 LYS A 34 85.706 12.001 -11.754 1.00 0.00 H new ATOM 0 HD3 LYS A 34 86.062 11.571 -10.093 1.00 0.00 H new ATOM 0 HE2 LYS A 34 87.185 9.970 -11.610 1.00 0.00 H new ATOM 0 HE3 LYS A 34 85.944 9.131 -10.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 86.105 8.943 -13.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 84.603 8.921 -12.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 85.156 10.350 -13.256 1.00 0.00 H new ATOM 262 N GLY A 35 80.201 12.955 -9.835 1.00 0.00 N ATOM 263 CA GLY A 35 78.985 13.077 -10.641 1.00 0.00 C ATOM 264 C GLY A 35 78.308 11.723 -10.798 1.00 0.00 C ATOM 265 O GLY A 35 78.082 11.258 -11.915 1.00 0.00 O ATOM 0 H GLY A 35 80.355 13.721 -9.179 1.00 0.00 H new ATOM 0 HA2 GLY A 35 78.299 13.780 -10.169 1.00 0.00 H new ATOM 0 HA3 GLY A 35 79.232 13.482 -11.622 1.00 0.00 H new ATOM 269 N THR A 36 78.013 11.081 -9.676 1.00 0.00 N ATOM 270 CA THR A 36 77.396 9.765 -9.702 1.00 0.00 C ATOM 271 C THR A 36 78.157 8.864 -10.671 1.00 0.00 C ATOM 272 O THR A 36 77.630 8.423 -11.691 1.00 0.00 O ATOM 273 CB THR A 36 75.934 9.865 -10.135 1.00 0.00 C ATOM 274 OG1 THR A 36 75.781 10.957 -11.031 1.00 0.00 O ATOM 275 CG2 THR A 36 75.043 10.076 -8.910 1.00 0.00 C ATOM 0 H THR A 36 78.190 11.449 -8.741 1.00 0.00 H new ATOM 0 HA THR A 36 77.434 9.341 -8.699 1.00 0.00 H new ATOM 0 HB THR A 36 75.641 8.941 -10.633 1.00 0.00 H new ATOM 0 HG1 THR A 36 76.400 10.852 -11.784 1.00 0.00 H new ATOM 0 HG21 THR A 36 74.002 10.147 -9.225 1.00 0.00 H new ATOM 0 HG22 THR A 36 75.159 9.235 -8.226 1.00 0.00 H new ATOM 0 HG23 THR A 36 75.332 10.997 -8.404 1.00 0.00 H new ATOM 283 N THR A 37 79.406 8.597 -10.328 1.00 0.00 N ATOM 284 CA THR A 37 80.257 7.743 -11.144 1.00 0.00 C ATOM 285 C THR A 37 81.316 7.090 -10.265 1.00 0.00 C ATOM 286 O THR A 37 82.172 7.770 -9.705 1.00 0.00 O ATOM 287 CB THR A 37 80.935 8.560 -12.245 1.00 0.00 C ATOM 288 OG1 THR A 37 80.002 9.485 -12.789 1.00 0.00 O ATOM 289 CG2 THR A 37 81.418 7.618 -13.351 1.00 0.00 C ATOM 0 H THR A 37 79.856 8.960 -9.487 1.00 0.00 H new ATOM 0 HA THR A 37 79.641 6.973 -11.609 1.00 0.00 H new ATOM 0 HB THR A 37 81.784 9.101 -11.828 1.00 0.00 H new ATOM 0 HG1 THR A 37 79.985 10.295 -12.237 1.00 0.00 H new ATOM 0 HG21 THR A 37 81.902 8.198 -14.137 1.00 0.00 H new ATOM 0 HG22 THR A 37 82.130 6.904 -12.936 1.00 0.00 H new ATOM 0 HG23 THR A 37 80.567 7.080 -13.768 1.00 0.00 H new ATOM 297 N VAL A 38 81.246 5.775 -10.148 1.00 0.00 N ATOM 298 CA VAL A 38 82.188 5.026 -9.329 1.00 0.00 C ATOM 299 C VAL A 38 83.205 4.327 -10.212 1.00 0.00 C ATOM 300 O VAL A 38 82.844 3.420 -10.955 1.00 0.00 O ATOM 301 CB VAL A 38 81.426 3.961 -8.533 1.00 0.00 C ATOM 302 CG1 VAL A 38 82.381 3.184 -7.628 1.00 0.00 C ATOM 303 CG2 VAL A 38 80.357 4.624 -7.679 1.00 0.00 C ATOM 0 H VAL A 38 80.543 5.200 -10.612 1.00 0.00 H new ATOM 0 HA VAL A 38 82.698 5.716 -8.657 1.00 0.00 H new ATOM 0 HB VAL A 38 80.961 3.271 -9.237 1.00 0.00 H new ATOM 0 HG11 VAL A 38 81.823 2.432 -7.070 1.00 0.00 H new ATOM 0 HG12 VAL A 38 83.141 2.694 -8.236 1.00 0.00 H new ATOM 0 HG13 VAL A 38 82.861 3.871 -6.931 1.00 0.00 H new ATOM 0 HG21 VAL A 38 79.818 3.863 -7.115 1.00 0.00 H new ATOM 0 HG22 VAL A 38 80.826 5.324 -6.987 1.00 0.00 H new ATOM 0 HG23 VAL A 38 79.659 5.161 -8.322 1.00 0.00 H new ATOM 313 N THR A 39 84.471 4.731 -10.114 1.00 0.00 N ATOM 314 CA THR A 39 85.516 4.110 -10.907 1.00 0.00 C ATOM 315 C THR A 39 86.708 3.748 -10.024 1.00 0.00 C ATOM 316 O THR A 39 86.719 4.064 -8.835 1.00 0.00 O ATOM 317 CB THR A 39 85.981 5.066 -11.984 1.00 0.00 C ATOM 318 OG1 THR A 39 87.272 5.555 -11.649 1.00 0.00 O ATOM 319 CG2 THR A 39 85.001 6.240 -12.085 1.00 0.00 C ATOM 0 H THR A 39 84.790 5.479 -9.498 1.00 0.00 H new ATOM 0 HA THR A 39 85.111 3.205 -11.361 1.00 0.00 H new ATOM 0 HB THR A 39 86.022 4.546 -12.941 1.00 0.00 H new ATOM 0 HG1 THR A 39 87.578 6.174 -12.345 1.00 0.00 H new ATOM 0 HG21 THR A 39 85.336 6.928 -12.861 1.00 0.00 H new ATOM 0 HG22 THR A 39 84.009 5.865 -12.337 1.00 0.00 H new ATOM 0 HG23 THR A 39 84.960 6.763 -11.129 1.00 0.00 H new ATOM 327 N PRO A 40 87.710 3.101 -10.572 1.00 0.00 N ATOM 328 CA PRO A 40 88.920 2.709 -9.797 1.00 0.00 C ATOM 329 C PRO A 40 89.668 3.914 -9.229 1.00 0.00 C ATOM 330 O PRO A 40 89.906 4.894 -9.936 1.00 0.00 O ATOM 331 CB PRO A 40 89.803 1.984 -10.818 1.00 0.00 C ATOM 332 CG PRO A 40 88.891 1.604 -11.933 1.00 0.00 C ATOM 333 CD PRO A 40 87.811 2.673 -11.972 1.00 0.00 C ATOM 0 HA PRO A 40 88.652 2.097 -8.936 1.00 0.00 H new ATOM 0 HB2 PRO A 40 90.607 2.630 -11.171 1.00 0.00 H new ATOM 0 HB3 PRO A 40 90.272 1.104 -10.377 1.00 0.00 H new ATOM 0 HG2 PRO A 40 89.430 1.558 -12.880 1.00 0.00 H new ATOM 0 HG3 PRO A 40 88.458 0.618 -11.765 1.00 0.00 H new ATOM 0 HD2 PRO A 40 88.087 3.500 -12.627 1.00 0.00 H new ATOM 0 HD3 PRO A 40 86.865 2.276 -12.341 1.00 0.00 H new ATOM 341 N ASP A 41 90.058 3.833 -7.960 1.00 0.00 N ATOM 342 CA ASP A 41 90.801 4.925 -7.335 1.00 0.00 C ATOM 343 C ASP A 41 92.307 4.703 -7.471 1.00 0.00 C ATOM 344 O ASP A 41 92.800 3.589 -7.294 1.00 0.00 O ATOM 345 CB ASP A 41 90.445 5.036 -5.850 1.00 0.00 C ATOM 346 CG ASP A 41 90.960 3.816 -5.090 1.00 0.00 C ATOM 347 OD1 ASP A 41 91.246 2.818 -5.730 1.00 0.00 O ATOM 348 OD2 ASP A 41 91.066 3.902 -3.878 1.00 0.00 O ATOM 0 H ASP A 41 89.876 3.035 -7.351 1.00 0.00 H new ATOM 0 HA ASP A 41 90.526 5.848 -7.845 1.00 0.00 H new ATOM 0 HB2 ASP A 41 90.879 5.944 -5.432 1.00 0.00 H new ATOM 0 HB3 ASP A 41 89.364 5.117 -5.733 1.00 0.00 H new ATOM 353 N LYS A 42 93.036 5.771 -7.774 1.00 0.00 N ATOM 354 CA LYS A 42 94.485 5.678 -7.912 1.00 0.00 C ATOM 355 C LYS A 42 95.156 5.703 -6.542 1.00 0.00 C ATOM 356 O LYS A 42 96.364 5.492 -6.430 1.00 0.00 O ATOM 357 CB LYS A 42 95.013 6.830 -8.767 1.00 0.00 C ATOM 358 CG LYS A 42 94.926 6.448 -10.245 1.00 0.00 C ATOM 359 CD LYS A 42 93.502 6.010 -10.587 1.00 0.00 C ATOM 360 CE LYS A 42 93.295 6.106 -12.100 1.00 0.00 C ATOM 361 NZ LYS A 42 94.384 5.363 -12.794 1.00 0.00 N ATOM 0 H LYS A 42 92.652 6.703 -7.928 1.00 0.00 H new ATOM 0 HA LYS A 42 94.721 4.734 -8.403 1.00 0.00 H new ATOM 0 HB2 LYS A 42 94.432 7.733 -8.579 1.00 0.00 H new ATOM 0 HB3 LYS A 42 96.045 7.053 -8.498 1.00 0.00 H new ATOM 0 HG2 LYS A 42 95.214 7.296 -10.866 1.00 0.00 H new ATOM 0 HG3 LYS A 42 95.626 5.641 -10.463 1.00 0.00 H new ATOM 0 HD2 LYS A 42 93.332 4.988 -10.249 1.00 0.00 H new ATOM 0 HD3 LYS A 42 92.780 6.641 -10.069 1.00 0.00 H new ATOM 0 HE2 LYS A 42 92.325 5.691 -12.373 1.00 0.00 H new ATOM 0 HE3 LYS A 42 93.295 7.150 -12.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 94.078 5.118 -13.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 95.235 5.959 -12.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 94.600 4.493 -12.268 1.00 0.00 H new ATOM 375 N ARG A 43 94.367 5.964 -5.502 1.00 0.00 N ATOM 376 CA ARG A 43 94.908 6.013 -4.148 1.00 0.00 C ATOM 377 C ARG A 43 94.686 4.691 -3.422 1.00 0.00 C ATOM 378 O ARG A 43 93.551 4.255 -3.235 1.00 0.00 O ATOM 379 CB ARG A 43 94.251 7.152 -3.362 1.00 0.00 C ATOM 380 CG ARG A 43 94.621 7.045 -1.879 1.00 0.00 C ATOM 381 CD ARG A 43 94.245 8.345 -1.171 1.00 0.00 C ATOM 382 NE ARG A 43 95.230 9.378 -1.479 1.00 0.00 N ATOM 383 CZ ARG A 43 95.006 10.327 -2.388 1.00 0.00 C ATOM 384 NH1 ARG A 43 95.918 11.234 -2.601 1.00 0.00 N ATOM 385 NH2 ARG A 43 93.896 10.350 -3.078 1.00 0.00 N ATOM 0 H ARG A 43 93.365 6.142 -5.569 1.00 0.00 H new ATOM 0 HA ARG A 43 95.981 6.191 -4.217 1.00 0.00 H new ATOM 0 HB2 ARG A 43 94.577 8.114 -3.758 1.00 0.00 H new ATOM 0 HB3 ARG A 43 93.168 7.109 -3.479 1.00 0.00 H new ATOM 0 HG2 ARG A 43 94.099 6.204 -1.422 1.00 0.00 H new ATOM 0 HG3 ARG A 43 95.689 6.854 -1.771 1.00 0.00 H new ATOM 0 HD2 ARG A 43 93.254 8.669 -1.488 1.00 0.00 H new ATOM 0 HD3 ARG A 43 94.199 8.183 -0.094 1.00 0.00 H new ATOM 0 HE ARG A 43 96.120 9.373 -0.981 1.00 0.00 H new ATOM 0 HH11 ARG A 43 96.791 11.212 -2.075 1.00 0.00 H new ATOM 0 HH12 ARG A 43 95.758 11.965 -3.294 1.00 0.00 H new ATOM 0 HH21 ARG A 43 93.185 9.635 -2.925 1.00 0.00 H new ATOM 0 HH22 ARG A 43 93.741 11.083 -3.770 1.00 0.00 H new ATOM 399 N LYS A 44 95.781 4.066 -3.001 1.00 0.00 N ATOM 400 CA LYS A 44 95.696 2.804 -2.280 1.00 0.00 C ATOM 401 C LYS A 44 95.525 3.068 -0.789 1.00 0.00 C ATOM 402 O LYS A 44 96.104 4.008 -0.246 1.00 0.00 O ATOM 403 CB LYS A 44 96.958 1.968 -2.516 1.00 0.00 C ATOM 404 CG LYS A 44 97.026 1.552 -3.987 1.00 0.00 C ATOM 405 CD LYS A 44 98.261 0.676 -4.215 1.00 0.00 C ATOM 406 CE LYS A 44 98.306 0.226 -5.678 1.00 0.00 C ATOM 407 NZ LYS A 44 98.486 1.415 -6.559 1.00 0.00 N ATOM 0 H LYS A 44 96.730 4.411 -3.146 1.00 0.00 H new ATOM 0 HA LYS A 44 94.833 2.250 -2.649 1.00 0.00 H new ATOM 0 HB2 LYS A 44 97.844 2.544 -2.248 1.00 0.00 H new ATOM 0 HB3 LYS A 44 96.947 1.085 -1.877 1.00 0.00 H new ATOM 0 HG2 LYS A 44 96.124 1.006 -4.263 1.00 0.00 H new ATOM 0 HG3 LYS A 44 97.071 2.435 -4.624 1.00 0.00 H new ATOM 0 HD2 LYS A 44 99.165 1.232 -3.967 1.00 0.00 H new ATOM 0 HD3 LYS A 44 98.230 -0.193 -3.557 1.00 0.00 H new ATOM 0 HE2 LYS A 44 99.124 -0.478 -5.828 1.00 0.00 H new ATOM 0 HE3 LYS A 44 97.385 -0.296 -5.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 98.802 1.105 -7.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 97.582 1.922 -6.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 99.200 2.048 -6.146 1.00 0.00 H new ATOM 421 N GLY A 45 94.727 2.234 -0.129 1.00 0.00 N ATOM 422 CA GLY A 45 94.490 2.392 1.301 1.00 0.00 C ATOM 423 C GLY A 45 94.709 1.083 2.037 1.00 0.00 C ATOM 424 O GLY A 45 94.959 0.045 1.421 1.00 0.00 O ATOM 0 H GLY A 45 94.237 1.448 -0.558 1.00 0.00 H new ATOM 0 HA2 GLY A 45 95.158 3.155 1.702 1.00 0.00 H new ATOM 0 HA3 GLY A 45 93.471 2.741 1.468 1.00 0.00 H new ATOM 428 N LEU A 46 94.616 1.143 3.360 1.00 0.00 N ATOM 429 CA LEU A 46 94.813 -0.051 4.179 1.00 0.00 C ATOM 430 C LEU A 46 93.688 -0.203 5.192 1.00 0.00 C ATOM 431 O LEU A 46 93.208 0.780 5.758 1.00 0.00 O ATOM 432 CB LEU A 46 96.169 0.026 4.898 1.00 0.00 C ATOM 433 CG LEU A 46 96.706 -1.387 5.189 1.00 0.00 C ATOM 434 CD1 LEU A 46 98.176 -1.295 5.598 1.00 0.00 C ATOM 435 CD2 LEU A 46 95.909 -2.054 6.321 1.00 0.00 C ATOM 0 H LEU A 46 94.408 1.993 3.885 1.00 0.00 H new ATOM 0 HA LEU A 46 94.804 -0.924 3.527 1.00 0.00 H new ATOM 0 HB2 LEU A 46 96.883 0.573 4.283 1.00 0.00 H new ATOM 0 HB3 LEU A 46 96.062 0.580 5.831 1.00 0.00 H new ATOM 0 HG LEU A 46 96.602 -1.989 4.287 1.00 0.00 H new ATOM 0 HD11 LEU A 46 98.559 -2.294 5.805 1.00 0.00 H new ATOM 0 HD12 LEU A 46 98.751 -0.846 4.789 1.00 0.00 H new ATOM 0 HD13 LEU A 46 98.267 -0.679 6.493 1.00 0.00 H new ATOM 0 HD21 LEU A 46 96.307 -3.051 6.508 1.00 0.00 H new ATOM 0 HD22 LEU A 46 95.993 -1.454 7.227 1.00 0.00 H new ATOM 0 HD23 LEU A 46 94.861 -2.130 6.032 1.00 0.00 H new ATOM 447 N VAL A 47 93.269 -1.448 5.409 1.00 0.00 N ATOM 448 CA VAL A 47 92.191 -1.733 6.344 1.00 0.00 C ATOM 449 C VAL A 47 92.729 -2.372 7.619 1.00 0.00 C ATOM 450 O VAL A 47 93.369 -3.424 7.582 1.00 0.00 O ATOM 451 CB VAL A 47 91.177 -2.677 5.696 1.00 0.00 C ATOM 452 CG1 VAL A 47 90.061 -2.989 6.694 1.00 0.00 C ATOM 453 CG2 VAL A 47 90.577 -2.014 4.453 1.00 0.00 C ATOM 0 H VAL A 47 93.660 -2.271 4.950 1.00 0.00 H new ATOM 0 HA VAL A 47 91.708 -0.790 6.602 1.00 0.00 H new ATOM 0 HB VAL A 47 91.678 -3.601 5.407 1.00 0.00 H new ATOM 0 HG11 VAL A 47 89.338 -3.662 6.233 1.00 0.00 H new ATOM 0 HG12 VAL A 47 90.486 -3.464 7.578 1.00 0.00 H new ATOM 0 HG13 VAL A 47 89.563 -2.064 6.983 1.00 0.00 H new ATOM 0 HG21 VAL A 47 89.855 -2.689 3.993 1.00 0.00 H new ATOM 0 HG22 VAL A 47 90.077 -1.089 4.740 1.00 0.00 H new ATOM 0 HG23 VAL A 47 91.371 -1.792 3.740 1.00 0.00 H new ATOM 463 N TYR A 48 92.449 -1.725 8.743 1.00 0.00 N ATOM 464 CA TYR A 48 92.880 -2.219 10.044 1.00 0.00 C ATOM 465 C TYR A 48 91.680 -2.558 10.918 1.00 0.00 C ATOM 466 O TYR A 48 90.755 -1.758 11.057 1.00 0.00 O ATOM 467 CB TYR A 48 93.741 -1.171 10.754 1.00 0.00 C ATOM 468 CG TYR A 48 95.130 -1.171 10.166 1.00 0.00 C ATOM 469 CD1 TYR A 48 95.512 -0.194 9.238 1.00 0.00 C ATOM 470 CD2 TYR A 48 96.042 -2.155 10.561 1.00 0.00 C ATOM 471 CE1 TYR A 48 96.809 -0.204 8.707 1.00 0.00 C ATOM 472 CE2 TYR A 48 97.335 -2.168 10.030 1.00 0.00 C ATOM 473 CZ TYR A 48 97.720 -1.193 9.104 1.00 0.00 C ATOM 474 OH TYR A 48 98.998 -1.204 8.583 1.00 0.00 O ATOM 0 H TYR A 48 91.922 -0.852 8.779 1.00 0.00 H new ATOM 0 HA TYR A 48 93.468 -3.122 9.881 1.00 0.00 H new ATOM 0 HB2 TYR A 48 93.291 -0.184 10.648 1.00 0.00 H new ATOM 0 HB3 TYR A 48 93.788 -1.387 11.821 1.00 0.00 H new ATOM 0 HD1 TYR A 48 94.808 0.566 8.932 1.00 0.00 H new ATOM 0 HD2 TYR A 48 95.747 -2.907 11.278 1.00 0.00 H new ATOM 0 HE1 TYR A 48 97.106 0.549 7.993 1.00 0.00 H new ATOM 0 HE2 TYR A 48 98.036 -2.931 10.335 1.00 0.00 H new ATOM 0 HH TYR A 48 99.500 -1.954 8.964 1.00 0.00 H new ATOM 484 N ILE A 49 91.711 -3.750 11.506 1.00 0.00 N ATOM 485 CA ILE A 49 90.632 -4.201 12.376 1.00 0.00 C ATOM 486 C ILE A 49 91.183 -4.583 13.747 1.00 0.00 C ATOM 487 O ILE A 49 92.117 -5.379 13.854 1.00 0.00 O ATOM 488 CB ILE A 49 89.933 -5.406 11.744 1.00 0.00 C ATOM 489 CG1 ILE A 49 89.336 -5.017 10.384 1.00 0.00 C ATOM 490 CG2 ILE A 49 88.822 -5.895 12.672 1.00 0.00 C ATOM 491 CD1 ILE A 49 87.937 -4.418 10.571 1.00 0.00 C ATOM 0 H ILE A 49 92.472 -4.420 11.395 1.00 0.00 H new ATOM 0 HA ILE A 49 89.915 -3.390 12.500 1.00 0.00 H new ATOM 0 HB ILE A 49 90.661 -6.203 11.595 1.00 0.00 H new ATOM 0 HG12 ILE A 49 89.985 -4.296 9.887 1.00 0.00 H new ATOM 0 HG13 ILE A 49 89.281 -5.894 9.739 1.00 0.00 H new ATOM 0 HG21 ILE A 49 88.324 -6.754 12.222 1.00 0.00 H new ATOM 0 HG22 ILE A 49 89.251 -6.186 13.631 1.00 0.00 H new ATOM 0 HG23 ILE A 49 88.098 -5.095 12.826 1.00 0.00 H new ATOM 0 HD11 ILE A 49 87.525 -4.146 9.599 1.00 0.00 H new ATOM 0 HD12 ILE A 49 87.288 -5.152 11.048 1.00 0.00 H new ATOM 0 HD13 ILE A 49 88.003 -3.529 11.199 1.00 0.00 H new ATOM 503 N GLN A 50 90.600 -4.006 14.792 1.00 0.00 N ATOM 504 CA GLN A 50 91.040 -4.287 16.156 1.00 0.00 C ATOM 505 C GLN A 50 89.836 -4.505 17.066 1.00 0.00 C ATOM 506 O GLN A 50 88.843 -3.784 16.972 1.00 0.00 O ATOM 507 CB GLN A 50 91.879 -3.124 16.686 1.00 0.00 C ATOM 508 CG GLN A 50 92.140 -3.322 18.180 1.00 0.00 C ATOM 509 CD GLN A 50 91.110 -2.559 19.010 1.00 0.00 C ATOM 510 OE1 GLN A 50 89.960 -2.235 18.481 1.00 0.00 O flip ATOM 511 NE2 GLN A 50 91.359 -2.255 20.176 1.00 0.00 N flip ATOM 0 H GLN A 50 89.826 -3.345 14.723 1.00 0.00 H new ATOM 0 HA GLN A 50 91.646 -5.193 16.145 1.00 0.00 H new ATOM 0 HB2 GLN A 50 92.824 -3.067 16.145 1.00 0.00 H new ATOM 0 HB3 GLN A 50 91.359 -2.181 16.519 1.00 0.00 H new ATOM 0 HG2 GLN A 50 92.098 -4.383 18.425 1.00 0.00 H new ATOM 0 HG3 GLN A 50 93.144 -2.977 18.429 1.00 0.00 H new ATOM 0 HE21 GLN A 50 92.257 -2.508 20.588 1.00 0.00 H new ATOM 0 HE22 GLN A 50 90.668 -1.750 20.730 1.00 0.00 H new ATOM 520 N GLN A 51 89.923 -5.504 17.939 1.00 0.00 N ATOM 521 CA GLN A 51 88.821 -5.802 18.848 1.00 0.00 C ATOM 522 C GLN A 51 89.084 -5.219 20.234 1.00 0.00 C ATOM 523 O GLN A 51 90.148 -5.429 20.817 1.00 0.00 O ATOM 524 CB GLN A 51 88.629 -7.313 18.955 1.00 0.00 C ATOM 525 CG GLN A 51 87.320 -7.612 19.686 1.00 0.00 C ATOM 526 CD GLN A 51 87.045 -9.112 19.648 1.00 0.00 C ATOM 527 OE1 GLN A 51 87.899 -9.888 19.220 1.00 0.00 O ATOM 528 NE2 GLN A 51 85.896 -9.570 20.063 1.00 0.00 N ATOM 0 H GLN A 51 90.734 -6.114 18.036 1.00 0.00 H new ATOM 0 HA GLN A 51 87.916 -5.346 18.447 1.00 0.00 H new ATOM 0 HB2 GLN A 51 88.612 -7.759 17.961 1.00 0.00 H new ATOM 0 HB3 GLN A 51 89.467 -7.759 19.491 1.00 0.00 H new ATOM 0 HG2 GLN A 51 87.382 -7.269 20.719 1.00 0.00 H new ATOM 0 HG3 GLN A 51 86.498 -7.069 19.219 1.00 0.00 H new ATOM 0 HE21 GLN A 51 85.189 -8.927 20.418 1.00 0.00 H new ATOM 0 HE22 GLN A 51 85.705 -10.572 20.033 1.00 0.00 H new ATOM 537 N THR A 52 88.106 -4.482 20.751 1.00 0.00 N ATOM 538 CA THR A 52 88.235 -3.865 22.068 1.00 0.00 C ATOM 539 C THR A 52 87.634 -4.767 23.145 1.00 0.00 C ATOM 540 O THR A 52 86.774 -5.600 22.865 1.00 0.00 O ATOM 541 CB THR A 52 87.528 -2.508 22.087 1.00 0.00 C ATOM 542 OG1 THR A 52 87.848 -1.794 20.902 1.00 0.00 O ATOM 543 CG2 THR A 52 87.997 -1.705 23.302 1.00 0.00 C ATOM 0 H THR A 52 87.219 -4.298 20.282 1.00 0.00 H new ATOM 0 HA THR A 52 89.296 -3.723 22.276 1.00 0.00 H new ATOM 0 HB THR A 52 86.450 -2.661 22.144 1.00 0.00 H new ATOM 0 HG1 THR A 52 88.000 -0.851 21.119 1.00 0.00 H new ATOM 0 HG21 THR A 52 87.494 -0.738 23.316 1.00 0.00 H new ATOM 0 HG22 THR A 52 87.758 -2.252 24.214 1.00 0.00 H new ATOM 0 HG23 THR A 52 89.075 -1.552 23.243 1.00 0.00 H new ATOM 551 N ASP A 53 88.093 -4.595 24.377 1.00 0.00 N ATOM 552 CA ASP A 53 87.592 -5.402 25.485 1.00 0.00 C ATOM 553 C ASP A 53 86.100 -5.170 25.698 1.00 0.00 C ATOM 554 O ASP A 53 85.394 -6.041 26.205 1.00 0.00 O ATOM 555 CB ASP A 53 88.350 -5.063 26.772 1.00 0.00 C ATOM 556 CG ASP A 53 89.774 -5.606 26.703 1.00 0.00 C ATOM 557 OD1 ASP A 53 90.039 -6.405 25.822 1.00 0.00 O ATOM 558 OD2 ASP A 53 90.576 -5.215 27.536 1.00 0.00 O ATOM 0 H ASP A 53 88.805 -3.911 24.635 1.00 0.00 H new ATOM 0 HA ASP A 53 87.751 -6.451 25.235 1.00 0.00 H new ATOM 0 HB2 ASP A 53 88.371 -3.983 26.916 1.00 0.00 H new ATOM 0 HB3 ASP A 53 87.832 -5.489 27.631 1.00 0.00 H new ATOM 563 N ASP A 54 85.625 -3.996 25.303 1.00 0.00 N ATOM 564 CA ASP A 54 84.213 -3.665 25.452 1.00 0.00 C ATOM 565 C ASP A 54 83.360 -4.507 24.511 1.00 0.00 C ATOM 566 O ASP A 54 82.135 -4.409 24.521 1.00 0.00 O ATOM 567 CB ASP A 54 83.989 -2.177 25.172 1.00 0.00 C ATOM 568 CG ASP A 54 84.563 -1.343 26.313 1.00 0.00 C ATOM 569 OD1 ASP A 54 84.240 -1.634 27.453 1.00 0.00 O ATOM 570 OD2 ASP A 54 85.321 -0.430 26.031 1.00 0.00 O ATOM 0 H ASP A 54 86.192 -3.261 24.880 1.00 0.00 H new ATOM 0 HA ASP A 54 83.915 -3.884 26.477 1.00 0.00 H new ATOM 0 HB2 ASP A 54 84.465 -1.899 24.232 1.00 0.00 H new ATOM 0 HB3 ASP A 54 82.924 -1.975 25.062 1.00 0.00 H new ATOM 575 N SER A 55 84.022 -5.328 23.695 1.00 0.00 N ATOM 576 CA SER A 55 83.328 -6.189 22.741 1.00 0.00 C ATOM 577 C SER A 55 82.983 -5.405 21.484 1.00 0.00 C ATOM 578 O SER A 55 82.029 -5.733 20.780 1.00 0.00 O ATOM 579 CB SER A 55 82.043 -6.748 23.358 1.00 0.00 C ATOM 580 OG SER A 55 82.219 -6.901 24.761 1.00 0.00 O ATOM 0 H SER A 55 85.038 -5.414 23.677 1.00 0.00 H new ATOM 0 HA SER A 55 83.989 -7.017 22.484 1.00 0.00 H new ATOM 0 HB2 SER A 55 81.208 -6.077 23.156 1.00 0.00 H new ATOM 0 HB3 SER A 55 81.797 -7.708 22.905 1.00 0.00 H new ATOM 0 HG SER A 55 81.867 -6.112 25.223 1.00 0.00 H new ATOM 586 N LEU A 56 83.771 -4.367 21.213 1.00 0.00 N ATOM 587 CA LEU A 56 83.551 -3.532 20.040 1.00 0.00 C ATOM 588 C LEU A 56 84.763 -3.575 19.123 1.00 0.00 C ATOM 589 O LEU A 56 85.903 -3.619 19.585 1.00 0.00 O ATOM 590 CB LEU A 56 83.289 -2.084 20.463 1.00 0.00 C ATOM 591 CG LEU A 56 81.818 -1.915 20.859 1.00 0.00 C ATOM 592 CD1 LEU A 56 81.510 -2.733 22.117 1.00 0.00 C ATOM 593 CD2 LEU A 56 81.532 -0.436 21.131 1.00 0.00 C ATOM 0 H LEU A 56 84.565 -4.087 21.789 1.00 0.00 H new ATOM 0 HA LEU A 56 82.683 -3.917 19.505 1.00 0.00 H new ATOM 0 HB2 LEU A 56 83.933 -1.818 21.301 1.00 0.00 H new ATOM 0 HB3 LEU A 56 83.535 -1.407 19.645 1.00 0.00 H new ATOM 0 HG LEU A 56 81.188 -2.270 20.043 1.00 0.00 H new ATOM 0 HD11 LEU A 56 80.462 -2.604 22.387 1.00 0.00 H new ATOM 0 HD12 LEU A 56 81.708 -3.787 21.923 1.00 0.00 H new ATOM 0 HD13 LEU A 56 82.141 -2.391 22.937 1.00 0.00 H new ATOM 0 HD21 LEU A 56 80.486 -0.313 21.413 1.00 0.00 H new ATOM 0 HD22 LEU A 56 82.170 -0.085 21.942 1.00 0.00 H new ATOM 0 HD23 LEU A 56 81.736 0.145 20.232 1.00 0.00 H new ATOM 605 N ILE A 57 84.509 -3.563 17.820 1.00 0.00 N ATOM 606 CA ILE A 57 85.587 -3.600 16.850 1.00 0.00 C ATOM 607 C ILE A 57 85.861 -2.199 16.314 1.00 0.00 C ATOM 608 O ILE A 57 84.949 -1.379 16.203 1.00 0.00 O ATOM 609 CB ILE A 57 85.216 -4.549 15.703 1.00 0.00 C ATOM 610 CG1 ILE A 57 86.472 -5.230 15.179 1.00 0.00 C ATOM 611 CG2 ILE A 57 84.563 -3.771 14.565 1.00 0.00 C ATOM 612 CD1 ILE A 57 86.777 -6.467 16.020 1.00 0.00 C ATOM 0 H ILE A 57 83.573 -3.528 17.417 1.00 0.00 H new ATOM 0 HA ILE A 57 86.492 -3.966 17.334 1.00 0.00 H new ATOM 0 HB ILE A 57 84.516 -5.295 16.079 1.00 0.00 H new ATOM 0 HG12 ILE A 57 86.335 -5.513 14.135 1.00 0.00 H new ATOM 0 HG13 ILE A 57 87.314 -4.538 15.214 1.00 0.00 H new ATOM 0 HG21 ILE A 57 84.305 -4.456 13.757 1.00 0.00 H new ATOM 0 HG22 ILE A 57 83.659 -3.283 14.930 1.00 0.00 H new ATOM 0 HG23 ILE A 57 85.258 -3.018 14.194 1.00 0.00 H new ATOM 0 HD11 ILE A 57 87.677 -6.952 15.641 1.00 0.00 H new ATOM 0 HD12 ILE A 57 86.933 -6.172 17.058 1.00 0.00 H new ATOM 0 HD13 ILE A 57 85.939 -7.162 15.962 1.00 0.00 H new ATOM 624 N HIS A 58 87.120 -1.933 15.984 1.00 0.00 N ATOM 625 CA HIS A 58 87.504 -0.628 15.459 1.00 0.00 C ATOM 626 C HIS A 58 87.974 -0.748 14.016 1.00 0.00 C ATOM 627 O HIS A 58 88.892 -1.513 13.714 1.00 0.00 O ATOM 628 CB HIS A 58 88.627 -0.027 16.309 1.00 0.00 C ATOM 629 CG HIS A 58 88.150 0.140 17.723 1.00 0.00 C ATOM 630 ND1 HIS A 58 86.809 0.069 18.062 1.00 0.00 N ATOM 631 CD2 HIS A 58 88.821 0.392 18.894 1.00 0.00 C ATOM 632 CE1 HIS A 58 86.714 0.274 19.388 1.00 0.00 C ATOM 633 NE2 HIS A 58 87.911 0.477 19.944 1.00 0.00 N ATOM 0 H HIS A 58 87.888 -2.599 16.070 1.00 0.00 H new ATOM 0 HA HIS A 58 86.631 0.024 15.496 1.00 0.00 H new ATOM 0 HB2 HIS A 58 89.503 -0.675 16.284 1.00 0.00 H new ATOM 0 HB3 HIS A 58 88.931 0.937 15.900 1.00 0.00 H new ATOM 0 HD1 HIS A 58 86.034 -0.107 17.422 1.00 0.00 H new ATOM 0 HD2 HIS A 58 89.891 0.507 18.986 1.00 0.00 H new ATOM 0 HE1 HIS A 58 85.783 0.274 19.936 1.00 0.00 H new ATOM 641 N PHE A 59 87.344 0.023 13.135 1.00 0.00 N ATOM 642 CA PHE A 59 87.702 0.014 11.721 1.00 0.00 C ATOM 643 C PHE A 59 88.397 1.315 11.339 1.00 0.00 C ATOM 644 O PHE A 59 87.784 2.384 11.340 1.00 0.00 O ATOM 645 CB PHE A 59 86.448 -0.182 10.863 1.00 0.00 C ATOM 646 CG PHE A 59 86.730 0.263 9.447 1.00 0.00 C ATOM 647 CD1 PHE A 59 87.596 -0.479 8.634 1.00 0.00 C ATOM 648 CD2 PHE A 59 86.124 1.423 8.946 1.00 0.00 C ATOM 649 CE1 PHE A 59 87.856 -0.059 7.322 1.00 0.00 C ATOM 650 CE2 PHE A 59 86.383 1.841 7.636 1.00 0.00 C ATOM 651 CZ PHE A 59 87.249 1.100 6.824 1.00 0.00 C ATOM 0 H PHE A 59 86.585 0.661 13.375 1.00 0.00 H new ATOM 0 HA PHE A 59 88.389 -0.813 11.542 1.00 0.00 H new ATOM 0 HB2 PHE A 59 86.148 -1.230 10.873 1.00 0.00 H new ATOM 0 HB3 PHE A 59 85.618 0.391 11.277 1.00 0.00 H new ATOM 0 HD1 PHE A 59 88.063 -1.374 9.018 1.00 0.00 H new ATOM 0 HD2 PHE A 59 85.456 1.995 9.572 1.00 0.00 H new ATOM 0 HE1 PHE A 59 88.525 -0.630 6.695 1.00 0.00 H new ATOM 0 HE2 PHE A 59 85.915 2.735 7.252 1.00 0.00 H new ATOM 0 HZ PHE A 59 87.449 1.422 5.813 1.00 0.00 H new ATOM 661 N CYS A 60 89.683 1.211 11.012 1.00 0.00 N ATOM 662 CA CYS A 60 90.469 2.380 10.629 1.00 0.00 C ATOM 663 C CYS A 60 91.030 2.215 9.225 1.00 0.00 C ATOM 664 O CYS A 60 91.624 1.187 8.895 1.00 0.00 O ATOM 665 CB CYS A 60 91.612 2.595 11.617 1.00 0.00 C ATOM 666 SG CYS A 60 92.563 4.057 11.134 1.00 0.00 S ATOM 0 H CYS A 60 90.201 0.332 11.005 1.00 0.00 H new ATOM 0 HA CYS A 60 89.813 3.250 10.644 1.00 0.00 H new ATOM 0 HB2 CYS A 60 91.216 2.722 12.625 1.00 0.00 H new ATOM 0 HB3 CYS A 60 92.259 1.718 11.637 1.00 0.00 H new ATOM 0 HG CYS A 60 93.535 4.241 11.978 1.00 0.00 H new ATOM 672 N TRP A 61 90.834 3.239 8.404 1.00 0.00 N ATOM 673 CA TRP A 61 91.319 3.214 7.031 1.00 0.00 C ATOM 674 C TRP A 61 92.486 4.174 6.870 1.00 0.00 C ATOM 675 O TRP A 61 92.322 5.395 6.972 1.00 0.00 O ATOM 676 CB TRP A 61 90.195 3.606 6.071 1.00 0.00 C ATOM 677 CG TRP A 61 90.656 3.387 4.668 1.00 0.00 C ATOM 678 CD1 TRP A 61 91.086 2.204 4.173 1.00 0.00 C ATOM 679 CD2 TRP A 61 90.748 4.346 3.574 1.00 0.00 C ATOM 680 NE1 TRP A 61 91.438 2.375 2.850 1.00 0.00 N ATOM 681 CE2 TRP A 61 91.248 3.677 2.433 1.00 0.00 C ATOM 682 CE3 TRP A 61 90.452 5.717 3.461 1.00 0.00 C ATOM 683 CZ2 TRP A 61 91.446 4.341 1.225 1.00 0.00 C ATOM 684 CZ3 TRP A 61 90.650 6.390 2.244 1.00 0.00 C ATOM 685 CH2 TRP A 61 91.146 5.702 1.127 1.00 0.00 C ATOM 0 H TRP A 61 90.344 4.095 8.665 1.00 0.00 H new ATOM 0 HA TRP A 61 91.654 2.203 6.798 1.00 0.00 H new ATOM 0 HB2 TRP A 61 89.304 3.011 6.272 1.00 0.00 H new ATOM 0 HB3 TRP A 61 89.921 4.651 6.219 1.00 0.00 H new ATOM 0 HD1 TRP A 61 91.144 1.277 4.724 1.00 0.00 H new ATOM 0 HE1 TRP A 61 91.795 1.630 2.252 1.00 0.00 H new ATOM 0 HE3 TRP A 61 90.070 6.255 4.316 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 91.829 3.807 0.368 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 90.419 7.442 2.168 1.00 0.00 H new ATOM 0 HH2 TRP A 61 91.296 6.223 0.193 1.00 0.00 H new ATOM 696 N LYS A 62 93.667 3.611 6.632 1.00 0.00 N ATOM 697 CA LYS A 62 94.871 4.413 6.474 1.00 0.00 C ATOM 698 C LYS A 62 95.322 4.457 5.019 1.00 0.00 C ATOM 699 O LYS A 62 95.284 3.454 4.306 1.00 0.00 O ATOM 700 CB LYS A 62 95.997 3.843 7.338 1.00 0.00 C ATOM 701 CG LYS A 62 97.134 4.868 7.432 1.00 0.00 C ATOM 702 CD LYS A 62 98.239 4.350 8.361 1.00 0.00 C ATOM 703 CE LYS A 62 99.127 3.340 7.624 1.00 0.00 C ATOM 704 NZ LYS A 62 100.259 2.938 8.506 1.00 0.00 N ATOM 0 H LYS A 62 93.814 2.605 6.545 1.00 0.00 H new ATOM 0 HA LYS A 62 94.639 5.429 6.793 1.00 0.00 H new ATOM 0 HB2 LYS A 62 95.622 3.606 8.334 1.00 0.00 H new ATOM 0 HB3 LYS A 62 96.366 2.912 6.907 1.00 0.00 H new ATOM 0 HG2 LYS A 62 97.543 5.060 6.440 1.00 0.00 H new ATOM 0 HG3 LYS A 62 96.749 5.816 7.807 1.00 0.00 H new ATOM 0 HD2 LYS A 62 98.844 5.184 8.717 1.00 0.00 H new ATOM 0 HD3 LYS A 62 97.795 3.881 9.239 1.00 0.00 H new ATOM 0 HE2 LYS A 62 98.543 2.464 7.342 1.00 0.00 H new ATOM 0 HE3 LYS A 62 99.508 3.779 6.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 100.862 2.253 8.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 100.821 3.777 8.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 99.886 2.503 9.374 1.00 0.00 H new ATOM 718 N ASP A 63 95.747 5.637 4.595 1.00 0.00 N ATOM 719 CA ASP A 63 96.214 5.844 3.230 1.00 0.00 C ATOM 720 C ASP A 63 97.662 5.400 3.090 1.00 0.00 C ATOM 721 O ASP A 63 98.546 5.938 3.743 1.00 0.00 O ATOM 722 CB ASP A 63 96.101 7.317 2.845 1.00 0.00 C ATOM 723 CG ASP A 63 96.497 7.499 1.384 1.00 0.00 C ATOM 724 OD1 ASP A 63 96.692 6.496 0.715 1.00 0.00 O ATOM 725 OD2 ASP A 63 96.603 8.635 0.955 1.00 0.00 O ATOM 0 H ASP A 63 95.779 6.472 5.180 1.00 0.00 H new ATOM 0 HA ASP A 63 95.588 5.248 2.565 1.00 0.00 H new ATOM 0 HB2 ASP A 63 95.080 7.666 3.001 1.00 0.00 H new ATOM 0 HB3 ASP A 63 96.746 7.920 3.484 1.00 0.00 H new ATOM 730 N ARG A 64 97.893 4.416 2.236 1.00 0.00 N ATOM 731 CA ARG A 64 99.238 3.908 2.013 1.00 0.00 C ATOM 732 C ARG A 64 100.095 4.955 1.308 1.00 0.00 C ATOM 733 O ARG A 64 101.284 5.095 1.595 1.00 0.00 O ATOM 734 CB ARG A 64 99.184 2.630 1.172 1.00 0.00 C ATOM 735 CG ARG A 64 98.423 1.538 1.934 1.00 0.00 C ATOM 736 CD ARG A 64 99.003 0.177 1.562 1.00 0.00 C ATOM 737 NE ARG A 64 100.351 0.057 2.105 1.00 0.00 N ATOM 738 CZ ARG A 64 101.229 -0.791 1.587 1.00 0.00 C ATOM 739 NH1 ARG A 64 102.428 -0.877 2.094 1.00 0.00 N ATOM 740 NH2 ARG A 64 100.896 -1.532 0.568 1.00 0.00 N ATOM 0 H ARG A 64 97.169 3.954 1.687 1.00 0.00 H new ATOM 0 HA ARG A 64 99.687 3.682 2.980 1.00 0.00 H new ATOM 0 HB2 ARG A 64 98.693 2.831 0.220 1.00 0.00 H new ATOM 0 HB3 ARG A 64 100.194 2.291 0.944 1.00 0.00 H new ATOM 0 HG2 ARG A 64 98.506 1.701 3.009 1.00 0.00 H new ATOM 0 HG3 ARG A 64 97.362 1.576 1.686 1.00 0.00 H new ATOM 0 HD2 ARG A 64 98.370 -0.619 1.953 1.00 0.00 H new ATOM 0 HD3 ARG A 64 99.025 0.063 0.478 1.00 0.00 H new ATOM 0 HE ARG A 64 100.624 0.637 2.899 1.00 0.00 H new ATOM 0 HH11 ARG A 64 102.689 -0.292 2.888 1.00 0.00 H new ATOM 0 HH12 ARG A 64 103.104 -1.529 1.696 1.00 0.00 H new ATOM 0 HH21 ARG A 64 99.960 -1.460 0.169 1.00 0.00 H new ATOM 0 HH22 ARG A 64 101.571 -2.184 0.169 1.00 0.00 H new ATOM 754 N THR A 65 99.484 5.685 0.379 1.00 0.00 N ATOM 755 CA THR A 65 100.202 6.713 -0.369 1.00 0.00 C ATOM 756 C THR A 65 100.742 7.789 0.569 1.00 0.00 C ATOM 757 O THR A 65 101.895 8.203 0.452 1.00 0.00 O ATOM 758 CB THR A 65 99.269 7.358 -1.399 1.00 0.00 C ATOM 759 OG1 THR A 65 98.823 6.371 -2.318 1.00 0.00 O ATOM 760 CG2 THR A 65 100.017 8.458 -2.153 1.00 0.00 C ATOM 0 H THR A 65 98.501 5.585 0.127 1.00 0.00 H new ATOM 0 HA THR A 65 101.041 6.239 -0.879 1.00 0.00 H new ATOM 0 HB THR A 65 98.410 7.792 -0.887 1.00 0.00 H new ATOM 0 HG1 THR A 65 98.225 6.783 -2.976 1.00 0.00 H new ATOM 0 HG21 THR A 65 99.351 8.915 -2.885 1.00 0.00 H new ATOM 0 HG22 THR A 65 100.356 9.217 -1.448 1.00 0.00 H new ATOM 0 HG23 THR A 65 100.878 8.028 -2.665 1.00 0.00 H new ATOM 768 N SER A 66 99.904 8.239 1.499 1.00 0.00 N ATOM 769 CA SER A 66 100.316 9.267 2.447 1.00 0.00 C ATOM 770 C SER A 66 100.824 8.631 3.732 1.00 0.00 C ATOM 771 O SER A 66 101.619 9.222 4.463 1.00 0.00 O ATOM 772 CB SER A 66 99.140 10.194 2.752 1.00 0.00 C ATOM 773 OG SER A 66 98.727 10.833 1.550 1.00 0.00 O ATOM 0 H SER A 66 98.945 7.911 1.615 1.00 0.00 H new ATOM 0 HA SER A 66 101.124 9.848 2.004 1.00 0.00 H new ATOM 0 HB2 SER A 66 98.314 9.625 3.179 1.00 0.00 H new ATOM 0 HB3 SER A 66 99.431 10.939 3.493 1.00 0.00 H new ATOM 0 HG SER A 66 98.025 10.300 1.121 1.00 0.00 H new ATOM 779 N GLY A 67 100.356 7.421 4.001 1.00 0.00 N ATOM 780 CA GLY A 67 100.762 6.704 5.199 1.00 0.00 C ATOM 781 C GLY A 67 100.105 7.314 6.428 1.00 0.00 C ATOM 782 O GLY A 67 100.508 7.044 7.559 1.00 0.00 O ATOM 0 H GLY A 67 99.697 6.917 3.408 1.00 0.00 H new ATOM 0 HA2 GLY A 67 100.485 5.653 5.114 1.00 0.00 H new ATOM 0 HA3 GLY A 67 101.846 6.740 5.302 1.00 0.00 H new ATOM 786 N ASN A 68 99.099 8.149 6.190 1.00 0.00 N ATOM 787 CA ASN A 68 98.388 8.816 7.282 1.00 0.00 C ATOM 788 C ASN A 68 96.936 8.355 7.356 1.00 0.00 C ATOM 789 O ASN A 68 96.363 7.921 6.357 1.00 0.00 O ATOM 790 CB ASN A 68 98.432 10.328 7.077 1.00 0.00 C ATOM 791 CG ASN A 68 99.867 10.829 7.197 1.00 0.00 C ATOM 792 OD1 ASN A 68 100.645 10.303 7.992 1.00 0.00 O ATOM 793 ND2 ASN A 68 100.264 11.823 6.451 1.00 0.00 N ATOM 0 H ASN A 68 98.757 8.381 5.258 1.00 0.00 H new ATOM 0 HA ASN A 68 98.881 8.554 8.218 1.00 0.00 H new ATOM 0 HB2 ASN A 68 98.030 10.582 6.096 1.00 0.00 H new ATOM 0 HB3 ASN A 68 97.803 10.822 7.817 1.00 0.00 H new ATOM 0 HD21 ASN A 68 101.222 12.166 6.526 1.00 0.00 H new ATOM 0 HD22 ASN A 68 99.617 12.257 5.793 1.00 0.00 H new ATOM 800 N VAL A 69 96.347 8.453 8.547 1.00 0.00 N ATOM 801 CA VAL A 69 94.962 8.043 8.734 1.00 0.00 C ATOM 802 C VAL A 69 94.019 8.943 7.941 1.00 0.00 C ATOM 803 O VAL A 69 94.012 10.162 8.120 1.00 0.00 O ATOM 804 CB VAL A 69 94.592 8.094 10.215 1.00 0.00 C ATOM 805 CG1 VAL A 69 95.095 6.830 10.912 1.00 0.00 C ATOM 806 CG2 VAL A 69 95.233 9.326 10.862 1.00 0.00 C ATOM 0 H VAL A 69 96.804 8.809 9.387 1.00 0.00 H new ATOM 0 HA VAL A 69 94.860 7.020 8.371 1.00 0.00 H new ATOM 0 HB VAL A 69 93.508 8.156 10.315 1.00 0.00 H new ATOM 0 HG11 VAL A 69 94.830 6.867 11.969 1.00 0.00 H new ATOM 0 HG12 VAL A 69 94.635 5.954 10.454 1.00 0.00 H new ATOM 0 HG13 VAL A 69 96.178 6.766 10.811 1.00 0.00 H new ATOM 0 HG21 VAL A 69 94.968 9.361 11.919 1.00 0.00 H new ATOM 0 HG22 VAL A 69 96.317 9.268 10.761 1.00 0.00 H new ATOM 0 HG23 VAL A 69 94.871 10.227 10.367 1.00 0.00 H new ATOM 816 N GLU A 70 93.221 8.330 7.072 1.00 0.00 N ATOM 817 CA GLU A 70 92.269 9.081 6.261 1.00 0.00 C ATOM 818 C GLU A 70 90.916 9.164 6.956 1.00 0.00 C ATOM 819 O GLU A 70 90.295 10.227 7.000 1.00 0.00 O ATOM 820 CB GLU A 70 92.098 8.415 4.892 1.00 0.00 C ATOM 821 CG GLU A 70 92.936 9.155 3.847 1.00 0.00 C ATOM 822 CD GLU A 70 92.332 10.529 3.570 1.00 0.00 C ATOM 823 OE1 GLU A 70 91.124 10.658 3.687 1.00 0.00 O ATOM 824 OE2 GLU A 70 93.086 11.431 3.244 1.00 0.00 O ATOM 0 H GLU A 70 93.214 7.323 6.912 1.00 0.00 H new ATOM 0 HA GLU A 70 92.660 10.090 6.127 1.00 0.00 H new ATOM 0 HB2 GLU A 70 92.405 7.371 4.945 1.00 0.00 H new ATOM 0 HB3 GLU A 70 91.047 8.424 4.602 1.00 0.00 H new ATOM 0 HG2 GLU A 70 93.961 9.264 4.202 1.00 0.00 H new ATOM 0 HG3 GLU A 70 92.978 8.575 2.925 1.00 0.00 H new ATOM 831 N ASP A 71 90.461 8.039 7.500 1.00 0.00 N ATOM 832 CA ASP A 71 89.174 8.007 8.190 1.00 0.00 C ATOM 833 C ASP A 71 89.096 6.805 9.126 1.00 0.00 C ATOM 834 O ASP A 71 89.706 5.767 8.868 1.00 0.00 O ATOM 835 CB ASP A 71 88.041 7.937 7.164 1.00 0.00 C ATOM 836 CG ASP A 71 86.734 8.397 7.797 1.00 0.00 C ATOM 837 OD1 ASP A 71 86.706 8.548 9.007 1.00 0.00 O ATOM 838 OD2 ASP A 71 85.780 8.594 7.062 1.00 0.00 O ATOM 0 H ASP A 71 90.956 7.148 7.478 1.00 0.00 H new ATOM 0 HA ASP A 71 89.074 8.916 8.783 1.00 0.00 H new ATOM 0 HB2 ASP A 71 88.279 8.564 6.305 1.00 0.00 H new ATOM 0 HB3 ASP A 71 87.936 6.917 6.795 1.00 0.00 H new ATOM 843 N ASP A 72 88.339 6.942 10.212 1.00 0.00 N ATOM 844 CA ASP A 72 88.196 5.852 11.162 1.00 0.00 C ATOM 845 C ASP A 72 86.852 5.945 11.872 1.00 0.00 C ATOM 846 O ASP A 72 86.330 7.040 12.083 1.00 0.00 O ATOM 847 CB ASP A 72 89.340 5.897 12.178 1.00 0.00 C ATOM 848 CG ASP A 72 89.042 6.930 13.259 1.00 0.00 C ATOM 849 OD1 ASP A 72 88.445 6.560 14.256 1.00 0.00 O ATOM 850 OD2 ASP A 72 89.418 8.076 13.075 1.00 0.00 O ATOM 0 H ASP A 72 87.822 7.788 10.451 1.00 0.00 H new ATOM 0 HA ASP A 72 88.237 4.904 10.625 1.00 0.00 H new ATOM 0 HB2 ASP A 72 89.474 4.914 12.630 1.00 0.00 H new ATOM 0 HB3 ASP A 72 90.274 6.146 11.674 1.00 0.00 H new ATOM 855 N LEU A 73 86.291 4.796 12.238 1.00 0.00 N ATOM 856 CA LEU A 73 85.013 4.782 12.916 1.00 0.00 C ATOM 857 C LEU A 73 84.818 3.453 13.634 1.00 0.00 C ATOM 858 O LEU A 73 85.208 2.399 13.130 1.00 0.00 O ATOM 859 CB LEU A 73 83.884 5.002 11.907 1.00 0.00 C ATOM 860 CG LEU A 73 82.703 5.667 12.612 1.00 0.00 C ATOM 861 CD1 LEU A 73 82.987 7.159 12.838 1.00 0.00 C ATOM 862 CD2 LEU A 73 81.441 5.515 11.760 1.00 0.00 C ATOM 0 H LEU A 73 86.701 3.876 12.076 1.00 0.00 H new ATOM 0 HA LEU A 73 84.993 5.587 13.651 1.00 0.00 H new ATOM 0 HB2 LEU A 73 84.232 5.628 11.085 1.00 0.00 H new ATOM 0 HB3 LEU A 73 83.576 4.050 11.475 1.00 0.00 H new ATOM 0 HG LEU A 73 82.555 5.183 13.577 1.00 0.00 H new ATOM 0 HD11 LEU A 73 82.137 7.619 13.341 1.00 0.00 H new ATOM 0 HD12 LEU A 73 83.878 7.270 13.456 1.00 0.00 H new ATOM 0 HD13 LEU A 73 83.148 7.648 11.877 1.00 0.00 H new ATOM 0 HD21 LEU A 73 80.601 5.991 12.266 1.00 0.00 H new ATOM 0 HD22 LEU A 73 81.597 5.990 10.791 1.00 0.00 H new ATOM 0 HD23 LEU A 73 81.225 4.456 11.615 1.00 0.00 H new ATOM 874 N ILE A 74 84.212 3.509 14.808 1.00 0.00 N ATOM 875 CA ILE A 74 83.963 2.306 15.586 1.00 0.00 C ATOM 876 C ILE A 74 82.695 1.614 15.114 1.00 0.00 C ATOM 877 O ILE A 74 81.677 2.263 14.872 1.00 0.00 O ATOM 878 CB ILE A 74 83.815 2.656 17.056 1.00 0.00 C ATOM 879 CG1 ILE A 74 85.166 3.094 17.625 1.00 0.00 C ATOM 880 CG2 ILE A 74 83.296 1.429 17.814 1.00 0.00 C ATOM 881 CD1 ILE A 74 84.957 3.693 19.017 1.00 0.00 C ATOM 0 H ILE A 74 83.884 4.371 15.243 1.00 0.00 H new ATOM 0 HA ILE A 74 84.811 1.635 15.449 1.00 0.00 H new ATOM 0 HB ILE A 74 83.107 3.477 17.168 1.00 0.00 H new ATOM 0 HG12 ILE A 74 85.844 2.242 17.681 1.00 0.00 H new ATOM 0 HG13 ILE A 74 85.630 3.828 16.966 1.00 0.00 H new ATOM 0 HG21 ILE A 74 83.187 1.673 18.871 1.00 0.00 H new ATOM 0 HG22 ILE A 74 82.328 1.133 17.409 1.00 0.00 H new ATOM 0 HG23 ILE A 74 84.003 0.607 17.703 1.00 0.00 H new ATOM 0 HD11 ILE A 74 85.917 4.006 19.426 1.00 0.00 H new ATOM 0 HD12 ILE A 74 84.294 4.555 18.946 1.00 0.00 H new ATOM 0 HD13 ILE A 74 84.511 2.945 19.672 1.00 0.00 H new ATOM 893 N ILE A 75 82.765 0.295 14.986 1.00 0.00 N ATOM 894 CA ILE A 75 81.621 -0.489 14.547 1.00 0.00 C ATOM 895 C ILE A 75 81.224 -1.503 15.617 1.00 0.00 C ATOM 896 O ILE A 75 82.064 -2.236 16.147 1.00 0.00 O ATOM 897 CB ILE A 75 81.965 -1.200 13.244 1.00 0.00 C ATOM 898 CG1 ILE A 75 82.258 -0.149 12.174 1.00 0.00 C ATOM 899 CG2 ILE A 75 80.781 -2.060 12.811 1.00 0.00 C ATOM 900 CD1 ILE A 75 82.949 -0.807 10.983 1.00 0.00 C ATOM 0 H ILE A 75 83.603 -0.253 15.180 1.00 0.00 H new ATOM 0 HA ILE A 75 80.774 0.177 14.381 1.00 0.00 H new ATOM 0 HB ILE A 75 82.838 -1.837 13.383 1.00 0.00 H new ATOM 0 HG12 ILE A 75 81.331 0.325 11.852 1.00 0.00 H new ATOM 0 HG13 ILE A 75 82.891 0.637 12.586 1.00 0.00 H new ATOM 0 HG21 ILE A 75 81.024 -2.570 11.879 1.00 0.00 H new ATOM 0 HG22 ILE A 75 80.566 -2.798 13.583 1.00 0.00 H new ATOM 0 HG23 ILE A 75 79.907 -1.427 12.661 1.00 0.00 H new ATOM 0 HD11 ILE A 75 83.157 -0.055 10.222 1.00 0.00 H new ATOM 0 HD12 ILE A 75 83.885 -1.260 11.310 1.00 0.00 H new ATOM 0 HD13 ILE A 75 82.300 -1.577 10.565 1.00 0.00 H new ATOM 912 N PHE A 76 79.940 -1.522 15.952 1.00 0.00 N ATOM 913 CA PHE A 76 79.448 -2.434 16.975 1.00 0.00 C ATOM 914 C PHE A 76 79.146 -3.803 16.353 1.00 0.00 C ATOM 915 O PHE A 76 78.835 -3.884 15.165 1.00 0.00 O ATOM 916 CB PHE A 76 78.165 -1.866 17.583 1.00 0.00 C ATOM 917 CG PHE A 76 78.371 -0.401 17.885 1.00 0.00 C ATOM 918 CD1 PHE A 76 78.091 0.549 16.894 1.00 0.00 C ATOM 919 CD2 PHE A 76 78.845 0.012 19.137 1.00 0.00 C ATOM 920 CE1 PHE A 76 78.283 1.910 17.153 1.00 0.00 C ATOM 921 CE2 PHE A 76 79.037 1.377 19.395 1.00 0.00 C ATOM 922 CZ PHE A 76 78.756 2.325 18.403 1.00 0.00 C ATOM 0 H PHE A 76 79.228 -0.923 15.535 1.00 0.00 H new ATOM 0 HA PHE A 76 80.208 -2.548 17.748 1.00 0.00 H new ATOM 0 HB2 PHE A 76 77.332 -1.994 16.892 1.00 0.00 H new ATOM 0 HB3 PHE A 76 77.909 -2.406 18.495 1.00 0.00 H new ATOM 0 HD1 PHE A 76 77.726 0.230 15.929 1.00 0.00 H new ATOM 0 HD2 PHE A 76 79.062 -0.719 19.902 1.00 0.00 H new ATOM 0 HE1 PHE A 76 78.066 2.641 16.388 1.00 0.00 H new ATOM 0 HE2 PHE A 76 79.402 1.698 20.360 1.00 0.00 H new ATOM 0 HZ PHE A 76 78.904 3.376 18.603 1.00 0.00 H new ATOM 932 N PRO A 77 79.201 -4.878 17.109 1.00 0.00 N ATOM 933 CA PRO A 77 78.887 -6.233 16.564 1.00 0.00 C ATOM 934 C PRO A 77 77.544 -6.261 15.833 1.00 0.00 C ATOM 935 O PRO A 77 76.588 -5.608 16.249 1.00 0.00 O ATOM 936 CB PRO A 77 78.809 -7.114 17.812 1.00 0.00 C ATOM 937 CG PRO A 77 79.669 -6.441 18.822 1.00 0.00 C ATOM 938 CD PRO A 77 79.584 -4.942 18.537 1.00 0.00 C ATOM 0 HA PRO A 77 79.631 -6.557 15.837 1.00 0.00 H new ATOM 0 HB2 PRO A 77 77.782 -7.204 18.167 1.00 0.00 H new ATOM 0 HB3 PRO A 77 79.163 -8.123 17.604 1.00 0.00 H new ATOM 0 HG2 PRO A 77 79.327 -6.663 19.833 1.00 0.00 H new ATOM 0 HG3 PRO A 77 80.699 -6.792 18.750 1.00 0.00 H new ATOM 0 HD2 PRO A 77 78.844 -4.455 19.172 1.00 0.00 H new ATOM 0 HD3 PRO A 77 80.537 -4.445 18.719 1.00 0.00 H new ATOM 946 N ASP A 78 77.489 -7.027 14.745 1.00 0.00 N ATOM 947 CA ASP A 78 76.266 -7.160 13.951 1.00 0.00 C ATOM 948 C ASP A 78 75.936 -5.859 13.222 1.00 0.00 C ATOM 949 O ASP A 78 75.088 -5.840 12.330 1.00 0.00 O ATOM 950 CB ASP A 78 75.084 -7.554 14.846 1.00 0.00 C ATOM 951 CG ASP A 78 75.514 -8.624 15.843 1.00 0.00 C ATOM 952 OD1 ASP A 78 76.085 -9.612 15.412 1.00 0.00 O ATOM 953 OD2 ASP A 78 75.265 -8.439 17.023 1.00 0.00 O ATOM 0 H ASP A 78 78.279 -7.567 14.391 1.00 0.00 H new ATOM 0 HA ASP A 78 76.439 -7.942 13.212 1.00 0.00 H new ATOM 0 HB2 ASP A 78 74.713 -6.678 15.378 1.00 0.00 H new ATOM 0 HB3 ASP A 78 74.263 -7.926 14.234 1.00 0.00 H new ATOM 958 N ASP A 79 76.604 -4.772 13.602 1.00 0.00 N ATOM 959 CA ASP A 79 76.357 -3.485 12.965 1.00 0.00 C ATOM 960 C ASP A 79 77.280 -3.312 11.758 1.00 0.00 C ATOM 961 O ASP A 79 78.285 -2.604 11.830 1.00 0.00 O ATOM 962 CB ASP A 79 76.602 -2.358 13.971 1.00 0.00 C ATOM 963 CG ASP A 79 75.913 -1.081 13.505 1.00 0.00 C ATOM 964 OD1 ASP A 79 74.727 -0.947 13.759 1.00 0.00 O ATOM 965 OD2 ASP A 79 76.579 -0.257 12.902 1.00 0.00 O ATOM 0 H ASP A 79 77.310 -4.757 14.338 1.00 0.00 H new ATOM 0 HA ASP A 79 75.322 -3.448 12.626 1.00 0.00 H new ATOM 0 HB2 ASP A 79 76.224 -2.647 14.952 1.00 0.00 H new ATOM 0 HB3 ASP A 79 77.672 -2.184 14.080 1.00 0.00 H new ATOM 970 N CYS A 80 76.939 -3.968 10.651 1.00 0.00 N ATOM 971 CA CYS A 80 77.749 -3.880 9.441 1.00 0.00 C ATOM 972 C CYS A 80 77.209 -4.823 8.370 1.00 0.00 C ATOM 973 O CYS A 80 77.445 -6.030 8.417 1.00 0.00 O ATOM 974 CB CYS A 80 79.203 -4.241 9.758 1.00 0.00 C ATOM 975 SG CYS A 80 79.244 -5.508 11.050 1.00 0.00 S ATOM 0 H CYS A 80 76.114 -4.562 10.568 1.00 0.00 H new ATOM 0 HA CYS A 80 77.704 -2.857 9.067 1.00 0.00 H new ATOM 0 HB2 CYS A 80 79.702 -4.606 8.860 1.00 0.00 H new ATOM 0 HB3 CYS A 80 79.746 -3.354 10.086 1.00 0.00 H new ATOM 0 HG CYS A 80 78.489 -6.507 10.702 1.00 0.00 H new ATOM 981 N GLU A 81 76.484 -4.263 7.408 1.00 0.00 N ATOM 982 CA GLU A 81 75.916 -5.063 6.329 1.00 0.00 C ATOM 983 C GLU A 81 76.739 -4.903 5.060 1.00 0.00 C ATOM 984 O GLU A 81 77.082 -3.787 4.668 1.00 0.00 O ATOM 985 CB GLU A 81 74.467 -4.641 6.069 1.00 0.00 C ATOM 986 CG GLU A 81 73.875 -5.500 4.948 1.00 0.00 C ATOM 987 CD GLU A 81 72.391 -5.193 4.782 1.00 0.00 C ATOM 988 OE1 GLU A 81 71.890 -4.370 5.529 1.00 0.00 O ATOM 989 OE2 GLU A 81 71.778 -5.787 3.910 1.00 0.00 O ATOM 0 H GLU A 81 76.277 -3.266 7.353 1.00 0.00 H new ATOM 0 HA GLU A 81 75.934 -6.111 6.627 1.00 0.00 H new ATOM 0 HB2 GLU A 81 73.876 -4.754 6.978 1.00 0.00 H new ATOM 0 HB3 GLU A 81 74.428 -3.587 5.792 1.00 0.00 H new ATOM 0 HG2 GLU A 81 74.401 -5.306 4.014 1.00 0.00 H new ATOM 0 HG3 GLU A 81 74.012 -6.557 5.178 1.00 0.00 H new ATOM 996 N PHE A 82 77.057 -6.025 4.422 1.00 0.00 N ATOM 997 CA PHE A 82 77.845 -5.992 3.197 1.00 0.00 C ATOM 998 C PHE A 82 76.954 -6.249 1.990 1.00 0.00 C ATOM 999 O PHE A 82 76.091 -7.128 2.023 1.00 0.00 O ATOM 1000 CB PHE A 82 78.944 -7.057 3.252 1.00 0.00 C ATOM 1001 CG PHE A 82 78.333 -8.430 3.090 1.00 0.00 C ATOM 1002 CD1 PHE A 82 78.266 -9.020 1.821 1.00 0.00 C ATOM 1003 CD2 PHE A 82 77.833 -9.113 4.205 1.00 0.00 C ATOM 1004 CE1 PHE A 82 77.702 -10.292 1.668 1.00 0.00 C ATOM 1005 CE2 PHE A 82 77.269 -10.385 4.052 1.00 0.00 C ATOM 1006 CZ PHE A 82 77.203 -10.975 2.783 1.00 0.00 C ATOM 0 H PHE A 82 76.784 -6.959 4.729 1.00 0.00 H new ATOM 0 HA PHE A 82 78.299 -5.006 3.104 1.00 0.00 H new ATOM 0 HB2 PHE A 82 79.676 -6.879 2.464 1.00 0.00 H new ATOM 0 HB3 PHE A 82 79.476 -6.995 4.201 1.00 0.00 H new ATOM 0 HD1 PHE A 82 78.650 -8.493 0.960 1.00 0.00 H new ATOM 0 HD2 PHE A 82 77.882 -8.658 5.183 1.00 0.00 H new ATOM 0 HE1 PHE A 82 77.652 -10.746 0.689 1.00 0.00 H new ATOM 0 HE2 PHE A 82 76.884 -10.912 4.913 1.00 0.00 H new ATOM 0 HZ PHE A 82 76.767 -11.956 2.665 1.00 0.00 H new ATOM 1016 N LYS A 83 77.173 -5.482 0.926 1.00 0.00 N ATOM 1017 CA LYS A 83 76.389 -5.644 -0.288 1.00 0.00 C ATOM 1018 C LYS A 83 77.294 -5.753 -1.506 1.00 0.00 C ATOM 1019 O LYS A 83 78.375 -5.163 -1.549 1.00 0.00 O ATOM 1020 CB LYS A 83 75.410 -4.475 -0.470 1.00 0.00 C ATOM 1021 CG LYS A 83 74.428 -4.437 0.702 1.00 0.00 C ATOM 1022 CD LYS A 83 73.369 -3.359 0.449 1.00 0.00 C ATOM 1023 CE LYS A 83 72.372 -3.334 1.611 1.00 0.00 C ATOM 1024 NZ LYS A 83 71.309 -2.328 1.332 1.00 0.00 N ATOM 0 H LYS A 83 77.881 -4.749 0.882 1.00 0.00 H new ATOM 0 HA LYS A 83 75.817 -6.567 -0.191 1.00 0.00 H new ATOM 0 HB2 LYS A 83 75.958 -3.535 -0.528 1.00 0.00 H new ATOM 0 HB3 LYS A 83 74.867 -4.586 -1.409 1.00 0.00 H new ATOM 0 HG2 LYS A 83 73.950 -5.410 0.821 1.00 0.00 H new ATOM 0 HG3 LYS A 83 74.961 -4.227 1.630 1.00 0.00 H new ATOM 0 HD2 LYS A 83 73.846 -2.384 0.345 1.00 0.00 H new ATOM 0 HD3 LYS A 83 72.847 -3.560 -0.487 1.00 0.00 H new ATOM 0 HE2 LYS A 83 71.928 -4.320 1.744 1.00 0.00 H new ATOM 0 HE3 LYS A 83 72.886 -3.087 2.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 70.632 -2.311 2.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 71.740 -1.388 1.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 70.812 -2.582 0.455 1.00 0.00 H new ATOM 1038 N ARG A 84 76.839 -6.523 -2.489 1.00 0.00 N ATOM 1039 CA ARG A 84 77.601 -6.724 -3.713 1.00 0.00 C ATOM 1040 C ARG A 84 76.815 -6.222 -4.916 1.00 0.00 C ATOM 1041 O ARG A 84 75.623 -6.501 -5.049 1.00 0.00 O ATOM 1042 CB ARG A 84 77.904 -8.213 -3.896 1.00 0.00 C ATOM 1043 CG ARG A 84 78.848 -8.688 -2.789 1.00 0.00 C ATOM 1044 CD ARG A 84 78.999 -10.210 -2.865 1.00 0.00 C ATOM 1045 NE ARG A 84 79.570 -10.605 -4.149 1.00 0.00 N ATOM 1046 CZ ARG A 84 80.883 -10.585 -4.357 1.00 0.00 C ATOM 1047 NH1 ARG A 84 81.363 -10.937 -5.518 1.00 0.00 N ATOM 1048 NH2 ARG A 84 81.692 -10.226 -3.397 1.00 0.00 N ATOM 0 H ARG A 84 75.947 -7.017 -2.461 1.00 0.00 H new ATOM 0 HA ARG A 84 78.533 -6.165 -3.636 1.00 0.00 H new ATOM 0 HB2 ARG A 84 76.978 -8.788 -3.869 1.00 0.00 H new ATOM 0 HB3 ARG A 84 78.358 -8.384 -4.872 1.00 0.00 H new ATOM 0 HG2 ARG A 84 79.821 -8.209 -2.896 1.00 0.00 H new ATOM 0 HG3 ARG A 84 78.457 -8.399 -1.814 1.00 0.00 H new ATOM 0 HD2 ARG A 84 79.638 -10.559 -2.054 1.00 0.00 H new ATOM 0 HD3 ARG A 84 78.027 -10.685 -2.731 1.00 0.00 H new ATOM 0 HE ARG A 84 78.949 -10.902 -4.902 1.00 0.00 H new ATOM 0 HH11 ARG A 84 80.731 -11.227 -6.264 1.00 0.00 H new ATOM 0 HH12 ARG A 84 82.370 -10.922 -5.679 1.00 0.00 H new ATOM 0 HH21 ARG A 84 81.317 -9.961 -2.486 1.00 0.00 H new ATOM 0 HH22 ARG A 84 82.699 -10.211 -3.558 1.00 0.00 H new ATOM 1062 N VAL A 85 77.494 -5.495 -5.796 1.00 0.00 N ATOM 1063 CA VAL A 85 76.858 -4.973 -7.000 1.00 0.00 C ATOM 1064 C VAL A 85 77.506 -5.595 -8.240 1.00 0.00 C ATOM 1065 O VAL A 85 78.484 -5.062 -8.762 1.00 0.00 O ATOM 1066 CB VAL A 85 77.008 -3.446 -7.047 1.00 0.00 C ATOM 1067 CG1 VAL A 85 76.218 -2.817 -5.900 1.00 0.00 C ATOM 1068 CG2 VAL A 85 78.478 -3.062 -6.892 1.00 0.00 C ATOM 0 H VAL A 85 78.480 -5.254 -5.699 1.00 0.00 H new ATOM 0 HA VAL A 85 75.798 -5.228 -6.984 1.00 0.00 H new ATOM 0 HB VAL A 85 76.631 -3.086 -8.004 1.00 0.00 H new ATOM 0 HG11 VAL A 85 76.326 -1.733 -5.935 1.00 0.00 H new ATOM 0 HG12 VAL A 85 75.165 -3.080 -5.996 1.00 0.00 H new ATOM 0 HG13 VAL A 85 76.599 -3.189 -4.949 1.00 0.00 H new ATOM 0 HG21 VAL A 85 78.576 -1.977 -6.926 1.00 0.00 H new ATOM 0 HG22 VAL A 85 78.851 -3.430 -5.936 1.00 0.00 H new ATOM 0 HG23 VAL A 85 79.057 -3.505 -7.703 1.00 0.00 H new ATOM 1078 N PRO A 86 76.986 -6.703 -8.722 1.00 0.00 N ATOM 1079 CA PRO A 86 77.545 -7.386 -9.929 1.00 0.00 C ATOM 1080 C PRO A 86 77.655 -6.448 -11.128 1.00 0.00 C ATOM 1081 O PRO A 86 76.646 -6.017 -11.685 1.00 0.00 O ATOM 1082 CB PRO A 86 76.532 -8.502 -10.212 1.00 0.00 C ATOM 1083 CG PRO A 86 75.870 -8.771 -8.905 1.00 0.00 C ATOM 1084 CD PRO A 86 75.833 -7.436 -8.169 1.00 0.00 C ATOM 0 HA PRO A 86 78.559 -7.748 -9.757 1.00 0.00 H new ATOM 0 HB2 PRO A 86 75.806 -8.193 -10.964 1.00 0.00 H new ATOM 0 HB3 PRO A 86 77.027 -9.395 -10.594 1.00 0.00 H new ATOM 0 HG2 PRO A 86 74.864 -9.164 -9.051 1.00 0.00 H new ATOM 0 HG3 PRO A 86 76.423 -9.516 -8.334 1.00 0.00 H new ATOM 0 HD2 PRO A 86 74.898 -6.906 -8.348 1.00 0.00 H new ATOM 0 HD3 PRO A 86 75.923 -7.570 -7.091 1.00 0.00 H new ATOM 1092 N GLN A 87 78.890 -6.151 -11.526 1.00 0.00 N ATOM 1093 CA GLN A 87 79.137 -5.279 -12.671 1.00 0.00 C ATOM 1094 C GLN A 87 79.785 -6.060 -13.806 1.00 0.00 C ATOM 1095 O GLN A 87 79.495 -5.826 -14.980 1.00 0.00 O ATOM 1096 CB GLN A 87 80.046 -4.123 -12.258 1.00 0.00 C ATOM 1097 CG GLN A 87 79.365 -3.317 -11.152 1.00 0.00 C ATOM 1098 CD GLN A 87 80.346 -3.055 -10.015 1.00 0.00 C ATOM 1099 OE1 GLN A 87 80.680 -4.035 -9.221 1.00 0.00 O flip ATOM 1100 NE2 GLN A 87 80.820 -1.934 -9.848 1.00 0.00 N flip ATOM 0 H GLN A 87 79.734 -6.501 -11.073 1.00 0.00 H new ATOM 0 HA GLN A 87 78.182 -4.883 -13.017 1.00 0.00 H new ATOM 0 HB2 GLN A 87 81.004 -4.506 -11.908 1.00 0.00 H new ATOM 0 HB3 GLN A 87 80.253 -3.483 -13.116 1.00 0.00 H new ATOM 0 HG2 GLN A 87 79.000 -2.371 -11.553 1.00 0.00 H new ATOM 0 HG3 GLN A 87 78.498 -3.860 -10.777 1.00 0.00 H new ATOM 0 HE21 GLN A 87 80.556 -1.171 -10.471 1.00 0.00 H new ATOM 0 HE22 GLN A 87 81.477 -1.767 -9.086 1.00 0.00 H new ATOM 1109 N CYS A 88 80.665 -6.988 -13.448 1.00 0.00 N ATOM 1110 CA CYS A 88 81.351 -7.799 -14.446 1.00 0.00 C ATOM 1111 C CYS A 88 81.619 -9.205 -13.911 1.00 0.00 C ATOM 1112 O CYS A 88 81.644 -9.423 -12.699 1.00 0.00 O ATOM 1113 CB CYS A 88 82.673 -7.135 -14.842 1.00 0.00 C ATOM 1114 SG CYS A 88 82.997 -5.735 -13.741 1.00 0.00 S ATOM 0 H CYS A 88 80.919 -7.196 -12.482 1.00 0.00 H new ATOM 0 HA CYS A 88 80.709 -7.878 -15.323 1.00 0.00 H new ATOM 0 HB2 CYS A 88 83.488 -7.856 -14.780 1.00 0.00 H new ATOM 0 HB3 CYS A 88 82.626 -6.795 -15.877 1.00 0.00 H new ATOM 0 HG CYS A 88 84.120 -5.172 -14.074 1.00 0.00 H new ATOM 1120 N PRO A 89 81.810 -10.158 -14.789 1.00 0.00 N ATOM 1121 CA PRO A 89 82.073 -11.575 -14.395 1.00 0.00 C ATOM 1122 C PRO A 89 83.433 -11.746 -13.720 1.00 0.00 C ATOM 1123 O PRO A 89 83.612 -12.629 -12.881 1.00 0.00 O ATOM 1124 CB PRO A 89 82.018 -12.336 -15.721 1.00 0.00 C ATOM 1125 CG PRO A 89 82.336 -11.324 -16.769 1.00 0.00 C ATOM 1126 CD PRO A 89 81.803 -9.991 -16.251 1.00 0.00 C ATOM 0 HA PRO A 89 81.351 -11.936 -13.662 1.00 0.00 H new ATOM 0 HB2 PRO A 89 82.737 -13.155 -15.734 1.00 0.00 H new ATOM 0 HB3 PRO A 89 81.033 -12.774 -15.883 1.00 0.00 H new ATOM 0 HG2 PRO A 89 83.410 -11.271 -16.946 1.00 0.00 H new ATOM 0 HG3 PRO A 89 81.869 -11.587 -17.718 1.00 0.00 H new ATOM 0 HD2 PRO A 89 82.435 -9.159 -16.562 1.00 0.00 H new ATOM 0 HD3 PRO A 89 80.800 -9.788 -16.626 1.00 0.00 H new ATOM 1134 N SER A 90 84.387 -10.899 -14.098 1.00 0.00 N ATOM 1135 CA SER A 90 85.729 -10.968 -13.526 1.00 0.00 C ATOM 1136 C SER A 90 85.956 -9.831 -12.535 1.00 0.00 C ATOM 1137 O SER A 90 87.007 -9.751 -11.898 1.00 0.00 O ATOM 1138 CB SER A 90 86.772 -10.886 -14.641 1.00 0.00 C ATOM 1139 OG SER A 90 86.591 -11.980 -15.530 1.00 0.00 O ATOM 0 H SER A 90 84.258 -10.163 -14.792 1.00 0.00 H new ATOM 0 HA SER A 90 85.828 -11.916 -12.998 1.00 0.00 H new ATOM 0 HB2 SER A 90 86.673 -9.944 -15.180 1.00 0.00 H new ATOM 0 HB3 SER A 90 87.776 -10.907 -14.218 1.00 0.00 H new ATOM 0 HG SER A 90 87.256 -11.932 -16.248 1.00 0.00 H new ATOM 1145 N GLY A 91 84.971 -8.950 -12.412 1.00 0.00 N ATOM 1146 CA GLY A 91 85.083 -7.818 -11.500 1.00 0.00 C ATOM 1147 C GLY A 91 84.365 -8.093 -10.186 1.00 0.00 C ATOM 1148 O GLY A 91 83.359 -8.803 -10.152 1.00 0.00 O ATOM 0 H GLY A 91 84.092 -8.996 -12.928 1.00 0.00 H new ATOM 0 HA2 GLY A 91 86.135 -7.608 -11.305 1.00 0.00 H new ATOM 0 HA3 GLY A 91 84.662 -6.928 -11.968 1.00 0.00 H new ATOM 1152 N ARG A 92 84.888 -7.522 -9.107 1.00 0.00 N ATOM 1153 CA ARG A 92 84.290 -7.704 -7.791 1.00 0.00 C ATOM 1154 C ARG A 92 84.343 -6.407 -6.990 1.00 0.00 C ATOM 1155 O ARG A 92 85.389 -5.766 -6.889 1.00 0.00 O ATOM 1156 CB ARG A 92 85.031 -8.805 -7.031 1.00 0.00 C ATOM 1157 CG ARG A 92 86.535 -8.670 -7.278 1.00 0.00 C ATOM 1158 CD ARG A 92 87.294 -9.578 -6.310 1.00 0.00 C ATOM 1159 NE ARG A 92 86.728 -10.922 -6.330 1.00 0.00 N ATOM 1160 CZ ARG A 92 87.056 -11.796 -7.275 1.00 0.00 C ATOM 1161 NH1 ARG A 92 86.534 -12.992 -7.264 1.00 0.00 N ATOM 1162 NH2 ARG A 92 87.897 -11.460 -8.215 1.00 0.00 N ATOM 0 H ARG A 92 85.720 -6.932 -9.117 1.00 0.00 H new ATOM 0 HA ARG A 92 83.247 -7.990 -7.924 1.00 0.00 H new ATOM 0 HB2 ARG A 92 84.819 -8.732 -5.964 1.00 0.00 H new ATOM 0 HB3 ARG A 92 84.684 -9.785 -7.359 1.00 0.00 H new ATOM 0 HG2 ARG A 92 86.771 -8.940 -8.307 1.00 0.00 H new ATOM 0 HG3 ARG A 92 86.845 -7.634 -7.141 1.00 0.00 H new ATOM 0 HD2 ARG A 92 88.348 -9.615 -6.586 1.00 0.00 H new ATOM 0 HD3 ARG A 92 87.243 -9.169 -5.301 1.00 0.00 H new ATOM 0 HE ARG A 92 86.067 -11.196 -5.603 1.00 0.00 H new ATOM 0 HH11 ARG A 92 85.875 -13.254 -6.531 1.00 0.00 H new ATOM 0 HH12 ARG A 92 86.785 -13.665 -7.989 1.00 0.00 H new ATOM 0 HH21 ARG A 92 88.304 -10.525 -8.225 1.00 0.00 H new ATOM 0 HH22 ARG A 92 88.147 -12.133 -8.940 1.00 0.00 H new ATOM 1176 N VAL A 93 83.201 -6.032 -6.423 1.00 0.00 N ATOM 1177 CA VAL A 93 83.107 -4.813 -5.625 1.00 0.00 C ATOM 1178 C VAL A 93 82.414 -5.092 -4.297 1.00 0.00 C ATOM 1179 O VAL A 93 81.371 -5.746 -4.258 1.00 0.00 O ATOM 1180 CB VAL A 93 82.329 -3.743 -6.392 1.00 0.00 C ATOM 1181 CG1 VAL A 93 82.125 -2.516 -5.500 1.00 0.00 C ATOM 1182 CG2 VAL A 93 83.121 -3.335 -7.637 1.00 0.00 C ATOM 0 H VAL A 93 82.328 -6.554 -6.501 1.00 0.00 H new ATOM 0 HA VAL A 93 84.117 -4.455 -5.427 1.00 0.00 H new ATOM 0 HB VAL A 93 81.359 -4.143 -6.687 1.00 0.00 H new ATOM 0 HG11 VAL A 93 81.570 -1.755 -6.049 1.00 0.00 H new ATOM 0 HG12 VAL A 93 81.564 -2.802 -4.610 1.00 0.00 H new ATOM 0 HG13 VAL A 93 83.095 -2.116 -5.205 1.00 0.00 H new ATOM 0 HG21 VAL A 93 82.569 -2.572 -8.186 1.00 0.00 H new ATOM 0 HG22 VAL A 93 84.090 -2.936 -7.337 1.00 0.00 H new ATOM 0 HG23 VAL A 93 83.269 -4.206 -8.276 1.00 0.00 H new ATOM 1192 N TYR A 94 82.998 -4.590 -3.214 1.00 0.00 N ATOM 1193 CA TYR A 94 82.425 -4.790 -1.888 1.00 0.00 C ATOM 1194 C TYR A 94 81.854 -3.482 -1.358 1.00 0.00 C ATOM 1195 O TYR A 94 82.527 -2.450 -1.383 1.00 0.00 O ATOM 1196 CB TYR A 94 83.507 -5.294 -0.932 1.00 0.00 C ATOM 1197 CG TYR A 94 84.027 -6.622 -1.420 1.00 0.00 C ATOM 1198 CD1 TYR A 94 85.134 -6.665 -2.276 1.00 0.00 C ATOM 1199 CD2 TYR A 94 83.404 -7.810 -1.020 1.00 0.00 C ATOM 1200 CE1 TYR A 94 85.617 -7.896 -2.733 1.00 0.00 C ATOM 1201 CE2 TYR A 94 83.888 -9.041 -1.477 1.00 0.00 C ATOM 1202 CZ TYR A 94 84.995 -9.084 -2.334 1.00 0.00 C ATOM 1203 OH TYR A 94 85.473 -10.297 -2.784 1.00 0.00 O ATOM 0 H TYR A 94 83.861 -4.046 -3.227 1.00 0.00 H new ATOM 0 HA TYR A 94 81.624 -5.526 -1.959 1.00 0.00 H new ATOM 0 HB2 TYR A 94 84.321 -4.572 -0.873 1.00 0.00 H new ATOM 0 HB3 TYR A 94 83.100 -5.398 0.074 1.00 0.00 H new ATOM 0 HD1 TYR A 94 85.615 -5.748 -2.583 1.00 0.00 H new ATOM 0 HD2 TYR A 94 82.550 -7.777 -0.359 1.00 0.00 H new ATOM 0 HE1 TYR A 94 86.470 -7.929 -3.394 1.00 0.00 H new ATOM 0 HE2 TYR A 94 83.408 -9.958 -1.169 1.00 0.00 H new ATOM 0 HH TYR A 94 84.928 -11.022 -2.412 1.00 0.00 H new ATOM 1213 N VAL A 95 80.609 -3.529 -0.878 1.00 0.00 N ATOM 1214 CA VAL A 95 79.964 -2.336 -0.345 1.00 0.00 C ATOM 1215 C VAL A 95 79.573 -2.542 1.115 1.00 0.00 C ATOM 1216 O VAL A 95 78.821 -3.456 1.437 1.00 0.00 O ATOM 1217 CB VAL A 95 78.715 -2.016 -1.172 1.00 0.00 C ATOM 1218 CG1 VAL A 95 77.984 -0.822 -0.561 1.00 0.00 C ATOM 1219 CG2 VAL A 95 79.112 -1.683 -2.616 1.00 0.00 C ATOM 0 H VAL A 95 80.036 -4.372 -0.849 1.00 0.00 H new ATOM 0 HA VAL A 95 80.666 -1.504 -0.402 1.00 0.00 H new ATOM 0 HB VAL A 95 78.059 -2.886 -1.171 1.00 0.00 H new ATOM 0 HG11 VAL A 95 77.096 -0.598 -1.152 1.00 0.00 H new ATOM 0 HG12 VAL A 95 77.689 -1.060 0.461 1.00 0.00 H new ATOM 0 HG13 VAL A 95 78.645 0.045 -0.555 1.00 0.00 H new ATOM 0 HG21 VAL A 95 78.217 -1.457 -3.196 1.00 0.00 H new ATOM 0 HG22 VAL A 95 79.776 -0.818 -2.621 1.00 0.00 H new ATOM 0 HG23 VAL A 95 79.625 -2.537 -3.058 1.00 0.00 H new ATOM 1229 N LEU A 96 80.079 -1.674 1.989 1.00 0.00 N ATOM 1230 CA LEU A 96 79.763 -1.762 3.414 1.00 0.00 C ATOM 1231 C LEU A 96 78.814 -0.647 3.815 1.00 0.00 C ATOM 1232 O LEU A 96 79.054 0.519 3.509 1.00 0.00 O ATOM 1233 CB LEU A 96 81.040 -1.670 4.255 1.00 0.00 C ATOM 1234 CG LEU A 96 81.801 -2.997 4.187 1.00 0.00 C ATOM 1235 CD1 LEU A 96 83.186 -2.824 4.815 1.00 0.00 C ATOM 1236 CD2 LEU A 96 81.035 -4.085 4.954 1.00 0.00 C ATOM 0 H LEU A 96 80.704 -0.908 1.739 1.00 0.00 H new ATOM 0 HA LEU A 96 79.285 -2.725 3.596 1.00 0.00 H new ATOM 0 HB2 LEU A 96 81.670 -0.859 3.889 1.00 0.00 H new ATOM 0 HB3 LEU A 96 80.789 -1.436 5.290 1.00 0.00 H new ATOM 0 HG LEU A 96 81.900 -3.294 3.143 1.00 0.00 H new ATOM 0 HD11 LEU A 96 83.728 -3.769 4.767 1.00 0.00 H new ATOM 0 HD12 LEU A 96 83.740 -2.060 4.270 1.00 0.00 H new ATOM 0 HD13 LEU A 96 83.078 -2.520 5.856 1.00 0.00 H new ATOM 0 HD21 LEU A 96 81.585 -5.024 4.899 1.00 0.00 H new ATOM 0 HD22 LEU A 96 80.928 -3.788 5.997 1.00 0.00 H new ATOM 0 HD23 LEU A 96 80.048 -4.216 4.511 1.00 0.00 H new ATOM 1248 N LYS A 97 77.735 -1.019 4.497 1.00 0.00 N ATOM 1249 CA LYS A 97 76.747 -0.051 4.931 1.00 0.00 C ATOM 1250 C LYS A 97 76.675 -0.013 6.450 1.00 0.00 C ATOM 1251 O LYS A 97 76.593 -1.054 7.105 1.00 0.00 O ATOM 1252 CB LYS A 97 75.383 -0.423 4.359 1.00 0.00 C ATOM 1253 CG LYS A 97 74.361 0.652 4.731 1.00 0.00 C ATOM 1254 CD LYS A 97 73.017 0.318 4.089 1.00 0.00 C ATOM 1255 CE LYS A 97 72.017 1.439 4.391 1.00 0.00 C ATOM 1256 NZ LYS A 97 71.784 1.518 5.861 1.00 0.00 N ATOM 0 H LYS A 97 77.527 -1.983 4.758 1.00 0.00 H new ATOM 0 HA LYS A 97 77.037 0.936 4.570 1.00 0.00 H new ATOM 0 HB2 LYS A 97 75.446 -0.520 3.275 1.00 0.00 H new ATOM 0 HB3 LYS A 97 75.066 -1.391 4.748 1.00 0.00 H new ATOM 0 HG2 LYS A 97 74.255 0.709 5.814 1.00 0.00 H new ATOM 0 HG3 LYS A 97 74.705 1.629 4.393 1.00 0.00 H new ATOM 0 HD2 LYS A 97 73.135 0.201 3.012 1.00 0.00 H new ATOM 0 HD3 LYS A 97 72.644 -0.631 4.474 1.00 0.00 H new ATOM 0 HE2 LYS A 97 72.399 2.391 4.021 1.00 0.00 H new ATOM 0 HE3 LYS A 97 71.077 1.251 3.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 70.916 2.060 6.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 71.682 0.558 6.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 72.591 1.991 6.316 1.00 0.00 H new ATOM 1270 N PHE A 98 76.703 1.191 7.006 1.00 0.00 N ATOM 1271 CA PHE A 98 76.638 1.348 8.448 1.00 0.00 C ATOM 1272 C PHE A 98 75.180 1.391 8.885 1.00 0.00 C ATOM 1273 O PHE A 98 74.456 2.336 8.575 1.00 0.00 O ATOM 1274 CB PHE A 98 77.345 2.643 8.854 1.00 0.00 C ATOM 1275 CG PHE A 98 78.827 2.517 8.577 1.00 0.00 C ATOM 1276 CD1 PHE A 98 79.316 2.766 7.290 1.00 0.00 C ATOM 1277 CD2 PHE A 98 79.711 2.161 9.603 1.00 0.00 C ATOM 1278 CE1 PHE A 98 80.685 2.657 7.025 1.00 0.00 C ATOM 1279 CE2 PHE A 98 81.084 2.053 9.337 1.00 0.00 C ATOM 1280 CZ PHE A 98 81.569 2.302 8.048 1.00 0.00 C ATOM 0 H PHE A 98 76.770 2.065 6.484 1.00 0.00 H new ATOM 0 HA PHE A 98 77.133 0.506 8.932 1.00 0.00 H new ATOM 0 HB2 PHE A 98 76.931 3.485 8.300 1.00 0.00 H new ATOM 0 HB3 PHE A 98 77.178 2.845 9.912 1.00 0.00 H new ATOM 0 HD1 PHE A 98 78.635 3.043 6.499 1.00 0.00 H new ATOM 0 HD2 PHE A 98 79.336 1.970 10.598 1.00 0.00 H new ATOM 0 HE1 PHE A 98 81.059 2.847 6.030 1.00 0.00 H new ATOM 0 HE2 PHE A 98 81.767 1.778 10.127 1.00 0.00 H new ATOM 0 HZ PHE A 98 82.626 2.220 7.844 1.00 0.00 H new ATOM 1290 N LYS A 99 74.755 0.355 9.597 1.00 0.00 N ATOM 1291 CA LYS A 99 73.377 0.270 10.065 1.00 0.00 C ATOM 1292 C LYS A 99 73.062 1.431 10.997 1.00 0.00 C ATOM 1293 O LYS A 99 71.933 1.919 11.039 1.00 0.00 O ATOM 1294 CB LYS A 99 73.139 -1.056 10.792 1.00 0.00 C ATOM 1295 CG LYS A 99 73.192 -2.207 9.780 1.00 0.00 C ATOM 1296 CD LYS A 99 72.861 -3.540 10.466 1.00 0.00 C ATOM 1297 CE LYS A 99 71.340 -3.715 10.585 1.00 0.00 C ATOM 1298 NZ LYS A 99 71.041 -5.060 11.154 1.00 0.00 N ATOM 0 H LYS A 99 75.342 -0.436 9.862 1.00 0.00 H new ATOM 0 HA LYS A 99 72.718 0.321 9.198 1.00 0.00 H new ATOM 0 HB2 LYS A 99 73.894 -1.201 11.564 1.00 0.00 H new ATOM 0 HB3 LYS A 99 72.171 -1.041 11.292 1.00 0.00 H new ATOM 0 HG2 LYS A 99 72.485 -2.021 8.972 1.00 0.00 H new ATOM 0 HG3 LYS A 99 74.184 -2.259 9.330 1.00 0.00 H new ATOM 0 HD2 LYS A 99 73.285 -4.366 9.895 1.00 0.00 H new ATOM 0 HD3 LYS A 99 73.316 -3.570 11.456 1.00 0.00 H new ATOM 0 HE2 LYS A 99 70.922 -2.937 11.223 1.00 0.00 H new ATOM 0 HE3 LYS A 99 70.873 -3.610 9.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 70.011 -5.181 11.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 71.428 -5.795 10.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 71.475 -5.143 12.095 1.00 0.00 H new ATOM 1312 N ALA A 100 74.066 1.863 11.747 1.00 0.00 N ATOM 1313 CA ALA A 100 73.885 2.964 12.683 1.00 0.00 C ATOM 1314 C ALA A 100 73.527 4.242 11.934 1.00 0.00 C ATOM 1315 O ALA A 100 72.849 5.118 12.471 1.00 0.00 O ATOM 1316 CB ALA A 100 75.170 3.183 13.482 1.00 0.00 C ATOM 0 H ALA A 100 75.008 1.472 11.727 1.00 0.00 H new ATOM 0 HA ALA A 100 73.072 2.712 13.364 1.00 0.00 H new ATOM 0 HB1 ALA A 100 75.028 4.008 14.180 1.00 0.00 H new ATOM 0 HB2 ALA A 100 75.413 2.276 14.036 1.00 0.00 H new ATOM 0 HB3 ALA A 100 75.986 3.421 12.800 1.00 0.00 H new ATOM 1322 N GLY A 101 73.983 4.335 10.688 1.00 0.00 N ATOM 1323 CA GLY A 101 73.705 5.503 9.861 1.00 0.00 C ATOM 1324 C GLY A 101 73.166 5.078 8.500 1.00 0.00 C ATOM 1325 O GLY A 101 72.228 4.284 8.413 1.00 0.00 O ATOM 0 H GLY A 101 74.545 3.617 10.231 1.00 0.00 H new ATOM 0 HA2 GLY A 101 72.980 6.146 10.361 1.00 0.00 H new ATOM 0 HA3 GLY A 101 74.615 6.089 9.731 1.00 0.00 H new ATOM 1329 N SER A 102 73.765 5.608 7.440 1.00 0.00 N ATOM 1330 CA SER A 102 73.340 5.273 6.086 1.00 0.00 C ATOM 1331 C SER A 102 74.469 5.520 5.093 1.00 0.00 C ATOM 1332 O SER A 102 74.228 5.761 3.910 1.00 0.00 O ATOM 1333 CB SER A 102 72.123 6.105 5.696 1.00 0.00 C ATOM 1334 OG SER A 102 72.423 7.483 5.868 1.00 0.00 O ATOM 0 H SER A 102 74.542 6.267 7.491 1.00 0.00 H new ATOM 0 HA SER A 102 73.076 4.216 6.062 1.00 0.00 H new ATOM 0 HB2 SER A 102 71.849 5.907 4.660 1.00 0.00 H new ATOM 0 HB3 SER A 102 71.266 5.828 6.310 1.00 0.00 H new ATOM 0 HG SER A 102 71.644 8.021 5.617 1.00 0.00 H new ATOM 1340 N LYS A 103 75.701 5.468 5.580 1.00 0.00 N ATOM 1341 CA LYS A 103 76.859 5.694 4.726 1.00 0.00 C ATOM 1342 C LYS A 103 77.290 4.400 4.044 1.00 0.00 C ATOM 1343 O LYS A 103 77.268 3.331 4.652 1.00 0.00 O ATOM 1344 CB LYS A 103 78.020 6.258 5.553 1.00 0.00 C ATOM 1345 CG LYS A 103 79.184 6.655 4.629 1.00 0.00 C ATOM 1346 CD LYS A 103 80.319 5.626 4.730 1.00 0.00 C ATOM 1347 CE LYS A 103 81.176 5.917 5.967 1.00 0.00 C ATOM 1348 NZ LYS A 103 82.312 4.952 6.022 1.00 0.00 N ATOM 0 H LYS A 103 75.924 5.273 6.556 1.00 0.00 H new ATOM 0 HA LYS A 103 76.581 6.415 3.957 1.00 0.00 H new ATOM 0 HB2 LYS A 103 77.684 7.126 6.121 1.00 0.00 H new ATOM 0 HB3 LYS A 103 78.357 5.515 6.276 1.00 0.00 H new ATOM 0 HG2 LYS A 103 78.834 6.720 3.599 1.00 0.00 H new ATOM 0 HG3 LYS A 103 79.554 7.643 4.903 1.00 0.00 H new ATOM 0 HD2 LYS A 103 79.905 4.620 4.792 1.00 0.00 H new ATOM 0 HD3 LYS A 103 80.936 5.662 3.832 1.00 0.00 H new ATOM 0 HE2 LYS A 103 81.554 6.939 5.929 1.00 0.00 H new ATOM 0 HE3 LYS A 103 80.571 5.835 6.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 83.161 5.435 6.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 82.069 4.166 6.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 82.499 4.581 5.069 1.00 0.00 H new ATOM 1362 N ARG A 104 77.675 4.508 2.776 1.00 0.00 N ATOM 1363 CA ARG A 104 78.112 3.342 2.017 1.00 0.00 C ATOM 1364 C ARG A 104 79.527 3.555 1.488 1.00 0.00 C ATOM 1365 O ARG A 104 79.823 4.581 0.875 1.00 0.00 O ATOM 1366 CB ARG A 104 77.159 3.080 0.844 1.00 0.00 C ATOM 1367 CG ARG A 104 75.753 2.758 1.368 1.00 0.00 C ATOM 1368 CD ARG A 104 74.922 4.040 1.459 1.00 0.00 C ATOM 1369 NE ARG A 104 73.582 3.736 1.951 1.00 0.00 N ATOM 1370 CZ ARG A 104 72.677 4.693 2.111 1.00 0.00 C ATOM 1371 NH1 ARG A 104 71.488 4.400 2.563 1.00 0.00 N ATOM 1372 NH2 ARG A 104 72.978 5.930 1.822 1.00 0.00 N ATOM 0 H ARG A 104 77.693 5.385 2.256 1.00 0.00 H new ATOM 0 HA ARG A 104 78.105 2.478 2.682 1.00 0.00 H new ATOM 0 HB2 ARG A 104 77.122 3.954 0.194 1.00 0.00 H new ATOM 0 HB3 ARG A 104 77.530 2.250 0.242 1.00 0.00 H new ATOM 0 HG2 ARG A 104 75.264 2.044 0.706 1.00 0.00 H new ATOM 0 HG3 ARG A 104 75.820 2.288 2.349 1.00 0.00 H new ATOM 0 HD2 ARG A 104 75.409 4.752 2.125 1.00 0.00 H new ATOM 0 HD3 ARG A 104 74.859 4.512 0.479 1.00 0.00 H new ATOM 0 HE ARG A 104 73.337 2.772 2.176 1.00 0.00 H new ATOM 0 HH11 ARG A 104 71.254 3.434 2.794 1.00 0.00 H new ATOM 0 HH12 ARG A 104 70.793 5.137 2.686 1.00 0.00 H new ATOM 0 HH21 ARG A 104 73.908 6.160 1.473 1.00 0.00 H new ATOM 0 HH22 ARG A 104 72.283 6.666 1.945 1.00 0.00 H new ATOM 1386 N LEU A 105 80.395 2.576 1.731 1.00 0.00 N ATOM 1387 CA LEU A 105 81.781 2.655 1.279 1.00 0.00 C ATOM 1388 C LEU A 105 82.023 1.643 0.164 1.00 0.00 C ATOM 1389 O LEU A 105 81.638 0.482 0.282 1.00 0.00 O ATOM 1390 CB LEU A 105 82.727 2.368 2.450 1.00 0.00 C ATOM 1391 CG LEU A 105 84.022 3.172 2.288 1.00 0.00 C ATOM 1392 CD1 LEU A 105 84.930 2.925 3.493 1.00 0.00 C ATOM 1393 CD2 LEU A 105 84.747 2.742 1.008 1.00 0.00 C ATOM 0 H LEU A 105 80.164 1.721 2.237 1.00 0.00 H new ATOM 0 HA LEU A 105 81.973 3.658 0.899 1.00 0.00 H new ATOM 0 HB2 LEU A 105 82.243 2.629 3.391 1.00 0.00 H new ATOM 0 HB3 LEU A 105 82.954 1.303 2.492 1.00 0.00 H new ATOM 0 HG LEU A 105 83.778 4.232 2.224 1.00 0.00 H new ATOM 0 HD11 LEU A 105 85.851 3.497 3.378 1.00 0.00 H new ATOM 0 HD12 LEU A 105 84.420 3.239 4.404 1.00 0.00 H new ATOM 0 HD13 LEU A 105 85.168 1.863 3.558 1.00 0.00 H new ATOM 0 HD21 LEU A 105 85.666 3.318 0.900 1.00 0.00 H new ATOM 0 HD22 LEU A 105 84.988 1.681 1.066 1.00 0.00 H new ATOM 0 HD23 LEU A 105 84.103 2.922 0.147 1.00 0.00 H new ATOM 1405 N PHE A 106 82.650 2.096 -0.918 1.00 0.00 N ATOM 1406 CA PHE A 106 82.924 1.225 -2.058 1.00 0.00 C ATOM 1407 C PHE A 106 84.426 0.992 -2.186 1.00 0.00 C ATOM 1408 O PHE A 106 85.191 1.941 -2.355 1.00 0.00 O ATOM 1409 CB PHE A 106 82.408 1.898 -3.329 1.00 0.00 C ATOM 1410 CG PHE A 106 80.983 2.342 -3.108 1.00 0.00 C ATOM 1411 CD1 PHE A 106 80.741 3.573 -2.490 1.00 0.00 C ATOM 1412 CD2 PHE A 106 79.912 1.538 -3.513 1.00 0.00 C ATOM 1413 CE1 PHE A 106 79.428 4.004 -2.275 1.00 0.00 C ATOM 1414 CE2 PHE A 106 78.595 1.970 -3.297 1.00 0.00 C ATOM 1415 CZ PHE A 106 78.355 3.204 -2.678 1.00 0.00 C ATOM 0 H PHE A 106 82.977 3.056 -1.030 1.00 0.00 H new ATOM 0 HA PHE A 106 82.426 0.267 -1.911 1.00 0.00 H new ATOM 0 HB2 PHE A 106 83.034 2.754 -3.582 1.00 0.00 H new ATOM 0 HB3 PHE A 106 82.460 1.205 -4.169 1.00 0.00 H new ATOM 0 HD1 PHE A 106 81.569 4.192 -2.178 1.00 0.00 H new ATOM 0 HD2 PHE A 106 80.099 0.587 -3.991 1.00 0.00 H new ATOM 0 HE1 PHE A 106 79.243 4.955 -1.798 1.00 0.00 H new ATOM 0 HE2 PHE A 106 77.766 1.351 -3.608 1.00 0.00 H new ATOM 0 HZ PHE A 106 77.341 3.537 -2.512 1.00 0.00 H new ATOM 1425 N PHE A 107 84.852 -0.264 -2.107 1.00 0.00 N ATOM 1426 CA PHE A 107 86.275 -0.568 -2.219 1.00 0.00 C ATOM 1427 C PHE A 107 86.481 -1.968 -2.787 1.00 0.00 C ATOM 1428 O PHE A 107 85.551 -2.776 -2.833 1.00 0.00 O ATOM 1429 CB PHE A 107 86.945 -0.459 -0.848 1.00 0.00 C ATOM 1430 CG PHE A 107 86.536 -1.636 -0.005 1.00 0.00 C ATOM 1431 CD1 PHE A 107 87.434 -2.690 0.203 1.00 0.00 C ATOM 1432 CD2 PHE A 107 85.253 -1.687 0.546 1.00 0.00 C ATOM 1433 CE1 PHE A 107 87.048 -3.795 0.967 1.00 0.00 C ATOM 1434 CE2 PHE A 107 84.867 -2.790 1.311 1.00 0.00 C ATOM 1435 CZ PHE A 107 85.763 -3.845 1.523 1.00 0.00 C ATOM 0 H PHE A 107 84.247 -1.074 -1.969 1.00 0.00 H new ATOM 0 HA PHE A 107 86.729 0.154 -2.898 1.00 0.00 H new ATOM 0 HB2 PHE A 107 88.029 -0.435 -0.960 1.00 0.00 H new ATOM 0 HB3 PHE A 107 86.655 0.472 -0.361 1.00 0.00 H new ATOM 0 HD1 PHE A 107 88.424 -2.649 -0.227 1.00 0.00 H new ATOM 0 HD2 PHE A 107 84.561 -0.875 0.381 1.00 0.00 H new ATOM 0 HE1 PHE A 107 87.739 -4.609 1.128 1.00 0.00 H new ATOM 0 HE2 PHE A 107 83.876 -2.829 1.739 1.00 0.00 H new ATOM 0 HZ PHE A 107 85.464 -4.697 2.115 1.00 0.00 H new ATOM 1445 N TRP A 108 87.701 -2.242 -3.228 1.00 0.00 N ATOM 1446 CA TRP A 108 88.025 -3.536 -3.806 1.00 0.00 C ATOM 1447 C TRP A 108 89.444 -3.958 -3.421 1.00 0.00 C ATOM 1448 O TRP A 108 90.292 -3.128 -3.098 1.00 0.00 O ATOM 1449 CB TRP A 108 87.857 -3.471 -5.335 1.00 0.00 C ATOM 1450 CG TRP A 108 88.615 -2.303 -5.895 1.00 0.00 C ATOM 1451 CD1 TRP A 108 88.383 -1.000 -5.593 1.00 0.00 C ATOM 1452 CD2 TRP A 108 89.693 -2.303 -6.879 1.00 0.00 C ATOM 1453 NE1 TRP A 108 89.273 -0.211 -6.293 1.00 0.00 N ATOM 1454 CE2 TRP A 108 90.098 -0.963 -7.102 1.00 0.00 C ATOM 1455 CE3 TRP A 108 90.362 -3.321 -7.581 1.00 0.00 C ATOM 1456 CZ2 TRP A 108 91.126 -0.647 -7.987 1.00 0.00 C ATOM 1457 CZ3 TRP A 108 91.396 -3.005 -8.477 1.00 0.00 C ATOM 1458 CH2 TRP A 108 91.777 -1.669 -8.677 1.00 0.00 C ATOM 0 H TRP A 108 88.481 -1.585 -3.196 1.00 0.00 H new ATOM 0 HA TRP A 108 87.342 -4.289 -3.412 1.00 0.00 H new ATOM 0 HB2 TRP A 108 88.216 -4.396 -5.786 1.00 0.00 H new ATOM 0 HB3 TRP A 108 86.800 -3.382 -5.588 1.00 0.00 H new ATOM 0 HD1 TRP A 108 87.624 -0.639 -4.914 1.00 0.00 H new ATOM 0 HE1 TRP A 108 89.315 0.806 -6.221 1.00 0.00 H new ATOM 0 HE3 TRP A 108 90.079 -4.352 -7.430 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 91.417 0.382 -8.138 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 91.901 -3.794 -9.015 1.00 0.00 H new ATOM 0 HH2 TRP A 108 92.575 -1.432 -9.366 1.00 0.00 H new ATOM 1469 N MET A 109 89.676 -5.264 -3.435 1.00 0.00 N ATOM 1470 CA MET A 109 90.972 -5.828 -3.062 1.00 0.00 C ATOM 1471 C MET A 109 91.965 -5.735 -4.218 1.00 0.00 C ATOM 1472 O MET A 109 92.422 -6.753 -4.739 1.00 0.00 O ATOM 1473 CB MET A 109 90.803 -7.289 -2.627 1.00 0.00 C ATOM 1474 CG MET A 109 89.537 -7.430 -1.769 1.00 0.00 C ATOM 1475 SD MET A 109 89.679 -6.407 -0.278 1.00 0.00 S ATOM 1476 CE MET A 109 90.272 -7.698 0.845 1.00 0.00 C ATOM 0 H MET A 109 88.979 -5.959 -3.702 1.00 0.00 H new ATOM 0 HA MET A 109 91.368 -5.249 -2.228 1.00 0.00 H new ATOM 0 HB2 MET A 109 90.734 -7.934 -3.503 1.00 0.00 H new ATOM 0 HB3 MET A 109 91.676 -7.613 -2.061 1.00 0.00 H new ATOM 0 HG2 MET A 109 88.662 -7.128 -2.345 1.00 0.00 H new ATOM 0 HG3 MET A 109 89.391 -8.474 -1.491 1.00 0.00 H new ATOM 0 HE1 MET A 109 90.427 -7.274 1.837 1.00 0.00 H new ATOM 0 HE2 MET A 109 89.533 -8.497 0.903 1.00 0.00 H new ATOM 0 HE3 MET A 109 91.213 -8.101 0.471 1.00 0.00 H new ATOM 1486 N GLN A 110 92.288 -4.509 -4.622 1.00 0.00 N ATOM 1487 CA GLN A 110 93.226 -4.303 -5.734 1.00 0.00 C ATOM 1488 C GLN A 110 94.607 -4.803 -5.356 1.00 0.00 C ATOM 1489 O GLN A 110 95.567 -4.644 -6.107 1.00 0.00 O ATOM 1490 CB GLN A 110 93.319 -2.811 -6.098 1.00 0.00 C ATOM 1491 CG GLN A 110 94.399 -2.102 -5.260 1.00 0.00 C ATOM 1492 CD GLN A 110 94.333 -2.542 -3.803 1.00 0.00 C ATOM 1493 OE1 GLN A 110 93.180 -2.693 -3.237 1.00 0.00 O flip ATOM 1494 NE2 GLN A 110 95.365 -2.773 -3.172 1.00 0.00 N flip ATOM 0 H GLN A 110 91.923 -3.652 -4.207 1.00 0.00 H new ATOM 0 HA GLN A 110 92.855 -4.861 -6.593 1.00 0.00 H new ATOM 0 HB2 GLN A 110 93.550 -2.706 -7.158 1.00 0.00 H new ATOM 0 HB3 GLN A 110 92.354 -2.332 -5.933 1.00 0.00 H new ATOM 0 HG2 GLN A 110 95.385 -2.325 -5.667 1.00 0.00 H new ATOM 0 HG3 GLN A 110 94.264 -1.022 -5.324 1.00 0.00 H new ATOM 0 HE21 GLN A 110 96.274 -2.654 -3.619 1.00 0.00 H new ATOM 0 HE22 GLN A 110 95.311 -3.084 -2.202 1.00 0.00 H new ATOM 1503 N GLU A 111 94.706 -5.369 -4.166 1.00 0.00 N ATOM 1504 CA GLU A 111 95.983 -5.841 -3.675 1.00 0.00 C ATOM 1505 C GLU A 111 96.551 -6.932 -4.593 1.00 0.00 C ATOM 1506 O GLU A 111 95.786 -7.666 -5.217 1.00 0.00 O ATOM 1507 CB GLU A 111 95.799 -6.376 -2.253 1.00 0.00 C ATOM 1508 CG GLU A 111 94.948 -7.651 -2.270 1.00 0.00 C ATOM 1509 CD GLU A 111 94.658 -8.094 -0.839 1.00 0.00 C ATOM 1510 OE1 GLU A 111 95.289 -7.566 0.062 1.00 0.00 O ATOM 1511 OE2 GLU A 111 93.803 -8.948 -0.665 1.00 0.00 O ATOM 0 H GLU A 111 93.923 -5.511 -3.528 1.00 0.00 H new ATOM 0 HA GLU A 111 96.694 -5.015 -3.666 1.00 0.00 H new ATOM 0 HB2 GLU A 111 96.771 -6.586 -1.807 1.00 0.00 H new ATOM 0 HB3 GLU A 111 95.320 -5.619 -1.632 1.00 0.00 H new ATOM 0 HG2 GLU A 111 94.014 -7.469 -2.801 1.00 0.00 H new ATOM 0 HG3 GLU A 111 95.471 -8.442 -2.807 1.00 0.00 H new ATOM 1518 N PRO A 112 97.863 -7.066 -4.692 1.00 0.00 N ATOM 1519 CA PRO A 112 98.490 -8.113 -5.564 1.00 0.00 C ATOM 1520 C PRO A 112 98.025 -9.526 -5.215 1.00 0.00 C ATOM 1521 O PRO A 112 97.998 -10.406 -6.076 1.00 0.00 O ATOM 1522 CB PRO A 112 99.989 -7.977 -5.286 1.00 0.00 C ATOM 1523 CG PRO A 112 100.169 -6.590 -4.785 1.00 0.00 C ATOM 1524 CD PRO A 112 98.899 -6.250 -4.015 1.00 0.00 C ATOM 0 HA PRO A 112 98.219 -7.968 -6.610 1.00 0.00 H new ATOM 0 HB2 PRO A 112 100.320 -8.708 -4.548 1.00 0.00 H new ATOM 0 HB3 PRO A 112 100.574 -8.148 -6.190 1.00 0.00 H new ATOM 0 HG2 PRO A 112 101.046 -6.519 -4.141 1.00 0.00 H new ATOM 0 HG3 PRO A 112 100.322 -5.895 -5.610 1.00 0.00 H new ATOM 0 HD2 PRO A 112 98.987 -6.507 -2.959 1.00 0.00 H new ATOM 0 HD3 PRO A 112 98.670 -5.186 -4.066 1.00 0.00 H new ATOM 1532 N LYS A 113 97.683 -9.745 -3.948 1.00 0.00 N ATOM 1533 CA LYS A 113 97.249 -11.064 -3.504 1.00 0.00 C ATOM 1534 C LYS A 113 95.959 -11.484 -4.197 1.00 0.00 C ATOM 1535 O LYS A 113 95.961 -12.371 -5.050 1.00 0.00 O ATOM 1536 CB LYS A 113 97.023 -11.045 -1.994 1.00 0.00 C ATOM 1537 CG LYS A 113 98.218 -11.688 -1.287 1.00 0.00 C ATOM 1538 CD LYS A 113 98.005 -11.642 0.227 1.00 0.00 C ATOM 1539 CE LYS A 113 97.240 -12.886 0.675 1.00 0.00 C ATOM 1540 NZ LYS A 113 98.095 -14.090 0.478 1.00 0.00 N ATOM 0 H LYS A 113 97.698 -9.033 -3.218 1.00 0.00 H new ATOM 0 HA LYS A 113 98.029 -11.781 -3.761 1.00 0.00 H new ATOM 0 HB2 LYS A 113 96.892 -10.019 -1.649 1.00 0.00 H new ATOM 0 HB3 LYS A 113 96.108 -11.584 -1.746 1.00 0.00 H new ATOM 0 HG2 LYS A 113 98.336 -12.720 -1.616 1.00 0.00 H new ATOM 0 HG3 LYS A 113 99.136 -11.162 -1.551 1.00 0.00 H new ATOM 0 HD2 LYS A 113 98.966 -11.590 0.738 1.00 0.00 H new ATOM 0 HD3 LYS A 113 97.450 -10.744 0.499 1.00 0.00 H new ATOM 0 HE2 LYS A 113 96.957 -12.795 1.724 1.00 0.00 H new ATOM 0 HE3 LYS A 113 96.317 -12.984 0.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 97.974 -14.737 1.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 97.817 -14.574 -0.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 99.092 -13.801 0.413 1.00 0.00 H new ATOM 1554 N THR A 114 94.859 -10.844 -3.822 1.00 0.00 N ATOM 1555 CA THR A 114 93.567 -11.163 -4.412 1.00 0.00 C ATOM 1556 C THR A 114 93.382 -12.675 -4.511 1.00 0.00 C ATOM 1557 O THR A 114 92.661 -13.161 -5.382 1.00 0.00 O ATOM 1558 CB THR A 114 93.467 -10.543 -5.807 1.00 0.00 C ATOM 1559 OG1 THR A 114 94.102 -9.272 -5.805 1.00 0.00 O ATOM 1560 CG2 THR A 114 91.997 -10.382 -6.192 1.00 0.00 C ATOM 0 H THR A 114 94.836 -10.107 -3.118 1.00 0.00 H new ATOM 0 HA THR A 114 92.784 -10.754 -3.774 1.00 0.00 H new ATOM 0 HB THR A 114 93.959 -11.193 -6.530 1.00 0.00 H new ATOM 0 HG1 THR A 114 95.071 -9.390 -5.713 1.00 0.00 H new ATOM 0 HG21 THR A 114 91.928 -9.940 -7.186 1.00 0.00 H new ATOM 0 HG22 THR A 114 91.512 -11.358 -6.194 1.00 0.00 H new ATOM 0 HG23 THR A 114 91.501 -9.732 -5.471 1.00 0.00 H new ATOM 1568 N ASP A 115 94.043 -13.412 -3.618 1.00 0.00 N ATOM 1569 CA ASP A 115 93.946 -14.870 -3.620 1.00 0.00 C ATOM 1570 C ASP A 115 93.222 -15.373 -2.375 1.00 0.00 C ATOM 1571 O ASP A 115 92.920 -16.562 -2.261 1.00 0.00 O ATOM 1572 CB ASP A 115 95.350 -15.478 -3.664 1.00 0.00 C ATOM 1573 CG ASP A 115 96.087 -15.178 -2.364 1.00 0.00 C ATOM 1574 OD1 ASP A 115 95.534 -14.467 -1.543 1.00 0.00 O ATOM 1575 OD2 ASP A 115 97.192 -15.671 -2.205 1.00 0.00 O ATOM 0 H ASP A 115 94.646 -13.027 -2.891 1.00 0.00 H new ATOM 0 HA ASP A 115 93.378 -15.172 -4.500 1.00 0.00 H new ATOM 0 HB2 ASP A 115 95.284 -16.556 -3.815 1.00 0.00 H new ATOM 0 HB3 ASP A 115 95.905 -15.071 -4.509 1.00 0.00 H new ATOM 1580 N GLN A 116 92.944 -14.466 -1.447 1.00 0.00 N ATOM 1581 CA GLN A 116 92.253 -14.830 -0.216 1.00 0.00 C ATOM 1582 C GLN A 116 91.197 -13.789 0.118 1.00 0.00 C ATOM 1583 O GLN A 116 90.845 -13.599 1.281 1.00 0.00 O ATOM 1584 CB GLN A 116 93.251 -14.936 0.938 1.00 0.00 C ATOM 1585 CG GLN A 116 94.128 -16.174 0.741 1.00 0.00 C ATOM 1586 CD GLN A 116 95.261 -16.177 1.761 1.00 0.00 C ATOM 1587 OE1 GLN A 116 95.547 -15.148 2.375 1.00 0.00 O ATOM 1588 NE2 GLN A 116 95.930 -17.275 1.976 1.00 0.00 N ATOM 0 H GLN A 116 93.185 -13.478 -1.522 1.00 0.00 H new ATOM 0 HA GLN A 116 91.771 -15.797 -0.361 1.00 0.00 H new ATOM 0 HB2 GLN A 116 93.871 -14.041 0.980 1.00 0.00 H new ATOM 0 HB3 GLN A 116 92.720 -15.001 1.888 1.00 0.00 H new ATOM 0 HG2 GLN A 116 93.527 -17.077 0.850 1.00 0.00 H new ATOM 0 HG3 GLN A 116 94.537 -16.183 -0.269 1.00 0.00 H new ATOM 0 HE21 GLN A 116 95.691 -18.126 1.466 1.00 0.00 H new ATOM 0 HE22 GLN A 116 96.692 -17.283 2.654 1.00 0.00 H new ATOM 1597 N ASP A 117 90.708 -13.104 -0.907 1.00 0.00 N ATOM 1598 CA ASP A 117 89.710 -12.067 -0.701 1.00 0.00 C ATOM 1599 C ASP A 117 88.446 -12.640 -0.069 1.00 0.00 C ATOM 1600 O ASP A 117 87.854 -12.023 0.815 1.00 0.00 O ATOM 1601 CB ASP A 117 89.349 -11.422 -2.039 1.00 0.00 C ATOM 1602 CG ASP A 117 90.510 -10.575 -2.542 1.00 0.00 C ATOM 1603 OD1 ASP A 117 91.399 -10.295 -1.757 1.00 0.00 O ATOM 1604 OD2 ASP A 117 90.493 -10.226 -3.711 1.00 0.00 O ATOM 0 H ASP A 117 90.983 -13.246 -1.879 1.00 0.00 H new ATOM 0 HA ASP A 117 90.133 -11.322 -0.028 1.00 0.00 H new ATOM 0 HB2 ASP A 117 89.108 -12.194 -2.770 1.00 0.00 H new ATOM 0 HB3 ASP A 117 88.460 -10.802 -1.925 1.00 0.00 H new ATOM 1609 N GLU A 118 88.038 -13.817 -0.530 1.00 0.00 N ATOM 1610 CA GLU A 118 86.842 -14.457 -0.005 1.00 0.00 C ATOM 1611 C GLU A 118 87.034 -14.851 1.451 1.00 0.00 C ATOM 1612 O GLU A 118 86.128 -14.702 2.272 1.00 0.00 O ATOM 1613 CB GLU A 118 86.512 -15.702 -0.832 1.00 0.00 C ATOM 1614 CG GLU A 118 86.042 -15.283 -2.227 1.00 0.00 C ATOM 1615 CD GLU A 118 85.761 -16.518 -3.077 1.00 0.00 C ATOM 1616 OE1 GLU A 118 86.082 -17.608 -2.630 1.00 0.00 O ATOM 1617 OE2 GLU A 118 85.228 -16.358 -4.162 1.00 0.00 O ATOM 0 H GLU A 118 88.516 -14.343 -1.262 1.00 0.00 H new ATOM 0 HA GLU A 118 86.018 -13.746 -0.068 1.00 0.00 H new ATOM 0 HB2 GLU A 118 87.391 -16.342 -0.910 1.00 0.00 H new ATOM 0 HB3 GLU A 118 85.736 -16.285 -0.336 1.00 0.00 H new ATOM 0 HG2 GLU A 118 85.142 -14.673 -2.148 1.00 0.00 H new ATOM 0 HG3 GLU A 118 86.803 -14.667 -2.706 1.00 0.00 H new ATOM 1624 N GLU A 119 88.221 -15.359 1.762 1.00 0.00 N ATOM 1625 CA GLU A 119 88.528 -15.783 3.112 1.00 0.00 C ATOM 1626 C GLU A 119 88.657 -14.584 4.038 1.00 0.00 C ATOM 1627 O GLU A 119 88.211 -14.623 5.182 1.00 0.00 O ATOM 1628 CB GLU A 119 89.835 -16.580 3.125 1.00 0.00 C ATOM 1629 CG GLU A 119 89.659 -17.869 2.319 1.00 0.00 C ATOM 1630 CD GLU A 119 90.936 -18.702 2.380 1.00 0.00 C ATOM 1631 OE1 GLU A 119 91.326 -19.073 3.476 1.00 0.00 O ATOM 1632 OE2 GLU A 119 91.506 -18.954 1.331 1.00 0.00 O ATOM 0 H GLU A 119 88.982 -15.485 1.095 1.00 0.00 H new ATOM 0 HA GLU A 119 87.712 -16.413 3.466 1.00 0.00 H new ATOM 0 HB2 GLU A 119 90.642 -15.982 2.701 1.00 0.00 H new ATOM 0 HB3 GLU A 119 90.118 -16.816 4.151 1.00 0.00 H new ATOM 0 HG2 GLU A 119 88.821 -18.443 2.715 1.00 0.00 H new ATOM 0 HG3 GLU A 119 89.420 -17.630 1.283 1.00 0.00 H new ATOM 1639 N HIS A 120 89.275 -13.523 3.535 1.00 0.00 N ATOM 1640 CA HIS A 120 89.471 -12.317 4.329 1.00 0.00 C ATOM 1641 C HIS A 120 88.130 -11.697 4.694 1.00 0.00 C ATOM 1642 O HIS A 120 87.913 -11.289 5.833 1.00 0.00 O ATOM 1643 CB HIS A 120 90.300 -11.303 3.537 1.00 0.00 C ATOM 1644 CG HIS A 120 91.719 -11.793 3.412 1.00 0.00 C ATOM 1645 ND1 HIS A 120 92.690 -11.073 2.735 1.00 0.00 N ATOM 1646 CD2 HIS A 120 92.342 -12.931 3.862 1.00 0.00 C ATOM 1647 CE1 HIS A 120 93.835 -11.780 2.795 1.00 0.00 C ATOM 1648 NE2 HIS A 120 93.678 -12.920 3.470 1.00 0.00 N ATOM 0 H HIS A 120 89.647 -13.473 2.587 1.00 0.00 H new ATOM 0 HA HIS A 120 89.998 -12.587 5.244 1.00 0.00 H new ATOM 0 HB2 HIS A 120 89.867 -11.159 2.547 1.00 0.00 H new ATOM 0 HB3 HIS A 120 90.282 -10.335 4.037 1.00 0.00 H new ATOM 0 HD2 HIS A 120 91.868 -13.715 4.433 1.00 0.00 H new ATOM 0 HE1 HIS A 120 94.767 -11.463 2.351 1.00 0.00 H new ATOM 0 HE2 HIS A 120 94.385 -13.631 3.658 1.00 0.00 H new ATOM 1656 N CYS A 121 87.230 -11.644 3.722 1.00 0.00 N ATOM 1657 CA CYS A 121 85.909 -11.083 3.954 1.00 0.00 C ATOM 1658 C CYS A 121 85.160 -11.918 4.981 1.00 0.00 C ATOM 1659 O CYS A 121 84.557 -11.387 5.914 1.00 0.00 O ATOM 1660 CB CYS A 121 85.118 -11.041 2.646 1.00 0.00 C ATOM 1661 SG CYS A 121 83.492 -10.306 2.950 1.00 0.00 S ATOM 0 H CYS A 121 87.390 -11.980 2.772 1.00 0.00 H new ATOM 0 HA CYS A 121 86.022 -10.068 4.334 1.00 0.00 H new ATOM 0 HB2 CYS A 121 85.659 -10.459 1.900 1.00 0.00 H new ATOM 0 HB3 CYS A 121 85.005 -12.048 2.244 1.00 0.00 H new ATOM 0 HG CYS A 121 82.818 -10.268 1.839 1.00 0.00 H new ATOM 1667 N ARG A 122 85.206 -13.233 4.799 1.00 0.00 N ATOM 1668 CA ARG A 122 84.530 -14.140 5.714 1.00 0.00 C ATOM 1669 C ARG A 122 85.103 -14.017 7.115 1.00 0.00 C ATOM 1670 O ARG A 122 84.366 -13.980 8.091 1.00 0.00 O ATOM 1671 CB ARG A 122 84.703 -15.586 5.240 1.00 0.00 C ATOM 1672 CG ARG A 122 83.774 -15.871 4.059 1.00 0.00 C ATOM 1673 CD ARG A 122 82.415 -16.353 4.580 1.00 0.00 C ATOM 1674 NE ARG A 122 82.581 -17.593 5.334 1.00 0.00 N ATOM 1675 CZ ARG A 122 81.557 -18.161 5.963 1.00 0.00 C ATOM 1676 NH1 ARG A 122 81.740 -19.260 6.643 1.00 0.00 N ATOM 1677 NH2 ARG A 122 80.369 -17.625 5.897 1.00 0.00 N ATOM 0 H ARG A 122 85.700 -13.690 4.033 1.00 0.00 H new ATOM 0 HA ARG A 122 83.473 -13.875 5.732 1.00 0.00 H new ATOM 0 HB2 ARG A 122 85.739 -15.759 4.947 1.00 0.00 H new ATOM 0 HB3 ARG A 122 84.484 -16.273 6.058 1.00 0.00 H new ATOM 0 HG2 ARG A 122 83.646 -14.971 3.458 1.00 0.00 H new ATOM 0 HG3 ARG A 122 84.215 -16.627 3.410 1.00 0.00 H new ATOM 0 HD2 ARG A 122 81.968 -15.588 5.215 1.00 0.00 H new ATOM 0 HD3 ARG A 122 81.732 -16.514 3.746 1.00 0.00 H new ATOM 0 HE ARG A 122 83.501 -18.032 5.379 1.00 0.00 H new ATOM 0 HH11 ARG A 122 82.668 -19.681 6.691 1.00 0.00 H new ATOM 0 HH12 ARG A 122 80.955 -19.697 7.126 1.00 0.00 H new ATOM 0 HH21 ARG A 122 80.225 -16.769 5.362 1.00 0.00 H new ATOM 0 HH22 ARG A 122 79.585 -18.062 6.380 1.00 0.00 H new ATOM 1691 N LYS A 123 86.421 -13.951 7.210 1.00 0.00 N ATOM 1692 CA LYS A 123 87.069 -13.846 8.513 1.00 0.00 C ATOM 1693 C LYS A 123 86.746 -12.511 9.150 1.00 0.00 C ATOM 1694 O LYS A 123 86.517 -12.427 10.355 1.00 0.00 O ATOM 1695 CB LYS A 123 88.582 -14.012 8.359 1.00 0.00 C ATOM 1696 CG LYS A 123 89.150 -14.819 9.537 1.00 0.00 C ATOM 1697 CD LYS A 123 88.886 -16.332 9.360 1.00 0.00 C ATOM 1698 CE LYS A 123 89.552 -16.859 8.088 1.00 0.00 C ATOM 1699 NZ LYS A 123 88.583 -16.829 6.955 1.00 0.00 N ATOM 0 H LYS A 123 87.058 -13.968 6.414 1.00 0.00 H new ATOM 0 HA LYS A 123 86.694 -14.639 9.161 1.00 0.00 H new ATOM 0 HB2 LYS A 123 88.806 -14.519 7.420 1.00 0.00 H new ATOM 0 HB3 LYS A 123 89.060 -13.033 8.315 1.00 0.00 H new ATOM 0 HG2 LYS A 123 90.222 -14.642 9.619 1.00 0.00 H new ATOM 0 HG3 LYS A 123 88.698 -14.475 10.468 1.00 0.00 H new ATOM 0 HD2 LYS A 123 89.266 -16.875 10.225 1.00 0.00 H new ATOM 0 HD3 LYS A 123 87.812 -16.515 9.315 1.00 0.00 H new ATOM 0 HE2 LYS A 123 90.425 -16.253 7.847 1.00 0.00 H new ATOM 0 HE3 LYS A 123 89.906 -17.878 8.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 88.613 -17.737 6.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 87.624 -16.669 7.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 88.836 -16.060 6.302 1.00 0.00 H new ATOM 1713 N VAL A 124 86.689 -11.473 8.334 1.00 0.00 N ATOM 1714 CA VAL A 124 86.345 -10.169 8.843 1.00 0.00 C ATOM 1715 C VAL A 124 84.945 -10.241 9.420 1.00 0.00 C ATOM 1716 O VAL A 124 84.674 -9.721 10.502 1.00 0.00 O ATOM 1717 CB VAL A 124 86.419 -9.138 7.723 1.00 0.00 C ATOM 1718 CG1 VAL A 124 85.812 -7.817 8.196 1.00 0.00 C ATOM 1719 CG2 VAL A 124 87.887 -8.919 7.358 1.00 0.00 C ATOM 0 H VAL A 124 86.874 -11.511 7.332 1.00 0.00 H new ATOM 0 HA VAL A 124 87.045 -9.866 9.621 1.00 0.00 H new ATOM 0 HB VAL A 124 85.864 -9.495 6.855 1.00 0.00 H new ATOM 0 HG11 VAL A 124 85.867 -7.083 7.392 1.00 0.00 H new ATOM 0 HG12 VAL A 124 84.770 -7.974 8.473 1.00 0.00 H new ATOM 0 HG13 VAL A 124 86.366 -7.451 9.060 1.00 0.00 H new ATOM 0 HG21 VAL A 124 87.957 -8.183 6.557 1.00 0.00 H new ATOM 0 HG22 VAL A 124 88.429 -8.557 8.232 1.00 0.00 H new ATOM 0 HG23 VAL A 124 88.323 -9.861 7.025 1.00 0.00 H new ATOM 1729 N ASN A 125 84.053 -10.906 8.693 1.00 0.00 N ATOM 1730 CA ASN A 125 82.686 -11.050 9.158 1.00 0.00 C ATOM 1731 C ASN A 125 82.623 -11.893 10.434 1.00 0.00 C ATOM 1732 O ASN A 125 81.827 -11.614 11.329 1.00 0.00 O ATOM 1733 CB ASN A 125 81.805 -11.665 8.076 1.00 0.00 C ATOM 1734 CG ASN A 125 81.599 -10.650 6.959 1.00 0.00 C ATOM 1735 OD1 ASN A 125 81.775 -9.449 7.171 1.00 0.00 O ATOM 1736 ND2 ASN A 125 81.239 -11.060 5.777 1.00 0.00 N ATOM 0 H ASN A 125 84.251 -11.346 7.794 1.00 0.00 H new ATOM 0 HA ASN A 125 82.309 -10.053 9.387 1.00 0.00 H new ATOM 0 HB2 ASN A 125 82.271 -12.568 7.681 1.00 0.00 H new ATOM 0 HB3 ASN A 125 80.844 -11.960 8.497 1.00 0.00 H new ATOM 0 HD21 ASN A 125 81.102 -10.386 5.023 1.00 0.00 H new ATOM 0 HD22 ASN A 125 81.094 -12.055 5.605 1.00 0.00 H new ATOM 1743 N GLU A 126 83.461 -12.926 10.513 1.00 0.00 N ATOM 1744 CA GLU A 126 83.479 -13.800 11.689 1.00 0.00 C ATOM 1745 C GLU A 126 83.796 -13.010 12.954 1.00 0.00 C ATOM 1746 O GLU A 126 83.168 -13.211 13.990 1.00 0.00 O ATOM 1747 CB GLU A 126 84.535 -14.896 11.511 1.00 0.00 C ATOM 1748 CG GLU A 126 84.048 -15.943 10.507 1.00 0.00 C ATOM 1749 CD GLU A 126 82.951 -16.794 11.135 1.00 0.00 C ATOM 1750 OE1 GLU A 126 82.941 -16.912 12.349 1.00 0.00 O ATOM 1751 OE2 GLU A 126 82.131 -17.311 10.393 1.00 0.00 O ATOM 0 H GLU A 126 84.130 -13.178 9.786 1.00 0.00 H new ATOM 0 HA GLU A 126 82.490 -14.247 11.789 1.00 0.00 H new ATOM 0 HB2 GLU A 126 85.470 -14.457 11.164 1.00 0.00 H new ATOM 0 HB3 GLU A 126 84.742 -15.370 12.470 1.00 0.00 H new ATOM 0 HG2 GLU A 126 83.670 -15.451 9.610 1.00 0.00 H new ATOM 0 HG3 GLU A 126 84.879 -16.577 10.197 1.00 0.00 H new ATOM 1758 N TYR A 127 84.767 -12.112 12.870 1.00 0.00 N ATOM 1759 CA TYR A 127 85.130 -11.307 14.032 1.00 0.00 C ATOM 1760 C TYR A 127 84.041 -10.281 14.343 1.00 0.00 C ATOM 1761 O TYR A 127 83.798 -9.953 15.505 1.00 0.00 O ATOM 1762 CB TYR A 127 86.465 -10.599 13.797 1.00 0.00 C ATOM 1763 CG TYR A 127 87.584 -11.610 13.883 1.00 0.00 C ATOM 1764 CD1 TYR A 127 88.328 -11.936 12.741 1.00 0.00 C ATOM 1765 CD2 TYR A 127 87.874 -12.227 15.106 1.00 0.00 C ATOM 1766 CE1 TYR A 127 89.361 -12.878 12.825 1.00 0.00 C ATOM 1767 CE2 TYR A 127 88.907 -13.168 15.190 1.00 0.00 C ATOM 1768 CZ TYR A 127 89.650 -13.493 14.049 1.00 0.00 C ATOM 1769 OH TYR A 127 90.669 -14.420 14.130 1.00 0.00 O ATOM 0 H TYR A 127 85.310 -11.923 12.027 1.00 0.00 H new ATOM 0 HA TYR A 127 85.231 -11.975 14.887 1.00 0.00 H new ATOM 0 HB2 TYR A 127 86.468 -10.117 12.819 1.00 0.00 H new ATOM 0 HB3 TYR A 127 86.610 -9.814 14.539 1.00 0.00 H new ATOM 0 HD1 TYR A 127 88.105 -11.461 11.797 1.00 0.00 H new ATOM 0 HD2 TYR A 127 87.300 -11.977 15.986 1.00 0.00 H new ATOM 0 HE1 TYR A 127 89.935 -13.130 11.945 1.00 0.00 H new ATOM 0 HE2 TYR A 127 89.130 -13.643 16.134 1.00 0.00 H new ATOM 0 HH TYR A 127 90.739 -14.750 15.050 1.00 0.00 H new ATOM 1779 N LEU A 128 83.398 -9.773 13.298 1.00 0.00 N ATOM 1780 CA LEU A 128 82.343 -8.777 13.462 1.00 0.00 C ATOM 1781 C LEU A 128 81.002 -9.428 13.809 1.00 0.00 C ATOM 1782 O LEU A 128 80.127 -8.786 14.391 1.00 0.00 O ATOM 1783 CB LEU A 128 82.202 -7.962 12.174 1.00 0.00 C ATOM 1784 CG LEU A 128 82.977 -6.652 12.310 1.00 0.00 C ATOM 1785 CD1 LEU A 128 84.448 -6.958 12.591 1.00 0.00 C ATOM 1786 CD2 LEU A 128 82.859 -5.849 11.012 1.00 0.00 C ATOM 0 H LEU A 128 83.587 -10.033 12.330 1.00 0.00 H new ATOM 0 HA LEU A 128 82.622 -8.123 14.288 1.00 0.00 H new ATOM 0 HB2 LEU A 128 82.580 -8.534 11.326 1.00 0.00 H new ATOM 0 HB3 LEU A 128 81.150 -7.755 11.976 1.00 0.00 H new ATOM 0 HG LEU A 128 82.564 -6.069 13.133 1.00 0.00 H new ATOM 0 HD11 LEU A 128 85.002 -6.024 12.688 1.00 0.00 H new ATOM 0 HD12 LEU A 128 84.531 -7.527 13.517 1.00 0.00 H new ATOM 0 HD13 LEU A 128 84.862 -7.541 11.768 1.00 0.00 H new ATOM 0 HD21 LEU A 128 83.412 -4.915 11.110 1.00 0.00 H new ATOM 0 HD22 LEU A 128 83.271 -6.429 10.186 1.00 0.00 H new ATOM 0 HD23 LEU A 128 81.810 -5.630 10.814 1.00 0.00 H new ATOM 1798 N ASN A 129 80.842 -10.695 13.441 1.00 0.00 N ATOM 1799 CA ASN A 129 79.597 -11.409 13.711 1.00 0.00 C ATOM 1800 C ASN A 129 79.751 -12.355 14.898 1.00 0.00 C ATOM 1801 O ASN A 129 78.891 -12.407 15.777 1.00 0.00 O ATOM 1802 CB ASN A 129 79.189 -12.212 12.475 1.00 0.00 C ATOM 1803 CG ASN A 129 77.886 -12.958 12.742 1.00 0.00 C ATOM 1804 OD1 ASN A 129 77.369 -12.928 13.858 1.00 0.00 O ATOM 1805 ND2 ASN A 129 77.324 -13.633 11.776 1.00 0.00 N ATOM 0 H ASN A 129 81.552 -11.246 12.959 1.00 0.00 H new ATOM 0 HA ASN A 129 78.828 -10.675 13.952 1.00 0.00 H new ATOM 0 HB2 ASN A 129 79.067 -11.544 11.622 1.00 0.00 H new ATOM 0 HB3 ASN A 129 79.976 -12.920 12.216 1.00 0.00 H new ATOM 0 HD21 ASN A 129 76.454 -14.137 11.945 1.00 0.00 H new ATOM 0 HD22 ASN A 129 77.755 -13.656 10.852 1.00 0.00 H new ATOM 1862 N PRO B 942 96.450 -6.981 -10.661 1.00 0.00 N ATOM 1863 CA PRO B 942 94.976 -6.869 -10.473 1.00 0.00 C ATOM 1864 C PRO B 942 94.295 -6.285 -11.702 1.00 0.00 C ATOM 1865 O PRO B 942 94.945 -5.655 -12.538 1.00 0.00 O ATOM 1866 CB PRO B 942 94.835 -5.934 -9.270 1.00 0.00 C ATOM 1867 CG PRO B 942 96.057 -5.088 -9.299 1.00 0.00 C ATOM 1868 CD PRO B 942 97.172 -5.968 -9.861 1.00 0.00 C ATOM 0 HA PRO B 942 94.502 -7.838 -10.317 1.00 0.00 H new ATOM 0 HB2 PRO B 942 93.932 -5.327 -9.345 1.00 0.00 H new ATOM 0 HB3 PRO B 942 94.765 -6.496 -8.339 1.00 0.00 H new ATOM 0 HG2 PRO B 942 95.905 -4.207 -9.922 1.00 0.00 H new ATOM 0 HG3 PRO B 942 96.308 -4.733 -8.300 1.00 0.00 H new ATOM 0 HD2 PRO B 942 97.865 -5.393 -10.475 1.00 0.00 H new ATOM 0 HD3 PRO B 942 97.758 -6.429 -9.066 1.00 0.00 H new ATOM 1876 N GLU B 943 92.986 -6.494 -11.804 1.00 0.00 N ATOM 1877 CA GLU B 943 92.222 -5.972 -12.931 1.00 0.00 C ATOM 1878 C GLU B 943 91.236 -4.916 -12.426 1.00 0.00 C ATOM 1879 O GLU B 943 90.137 -5.254 -11.987 1.00 0.00 O ATOM 1880 CB GLU B 943 91.454 -7.111 -13.614 1.00 0.00 C ATOM 1881 CG GLU B 943 90.675 -6.561 -14.813 1.00 0.00 C ATOM 1882 CD GLU B 943 90.577 -7.623 -15.905 1.00 0.00 C ATOM 1883 OE1 GLU B 943 89.897 -8.611 -15.685 1.00 0.00 O ATOM 1884 OE2 GLU B 943 91.186 -7.431 -16.945 1.00 0.00 O ATOM 0 H GLU B 943 92.435 -7.018 -11.124 1.00 0.00 H new ATOM 0 HA GLU B 943 92.903 -5.522 -13.653 1.00 0.00 H new ATOM 0 HB2 GLU B 943 92.148 -7.885 -13.943 1.00 0.00 H new ATOM 0 HB3 GLU B 943 90.769 -7.577 -12.906 1.00 0.00 H new ATOM 0 HG2 GLU B 943 89.676 -6.257 -14.500 1.00 0.00 H new ATOM 0 HG3 GLU B 943 91.171 -5.672 -15.203 1.00 0.00 H new ATOM 1891 N PRO B 944 91.600 -3.654 -12.469 1.00 0.00 N ATOM 1892 CA PRO B 944 90.716 -2.548 -11.987 1.00 0.00 C ATOM 1893 C PRO B 944 89.312 -2.591 -12.610 1.00 0.00 C ATOM 1894 O PRO B 944 89.169 -2.919 -13.787 1.00 0.00 O ATOM 1895 CB PRO B 944 91.457 -1.282 -12.430 1.00 0.00 C ATOM 1896 CG PRO B 944 92.890 -1.679 -12.504 1.00 0.00 C ATOM 1897 CD PRO B 944 92.896 -3.134 -12.957 1.00 0.00 C ATOM 0 HA PRO B 944 90.546 -2.610 -10.912 1.00 0.00 H new ATOM 0 HB2 PRO B 944 91.095 -0.930 -13.396 1.00 0.00 H new ATOM 0 HB3 PRO B 944 91.309 -0.469 -11.719 1.00 0.00 H new ATOM 0 HG2 PRO B 944 93.434 -1.049 -13.207 1.00 0.00 H new ATOM 0 HG3 PRO B 944 93.376 -1.569 -11.535 1.00 0.00 H new ATOM 0 HD2 PRO B 944 92.979 -3.216 -14.041 1.00 0.00 H new ATOM 0 HD3 PRO B 944 93.735 -3.684 -12.530 1.00 0.00 H new ATOM 1905 N PRO B 945 88.281 -2.262 -11.856 1.00 0.00 N ATOM 1906 CA PRO B 945 86.878 -2.262 -12.370 1.00 0.00 C ATOM 1907 C PRO B 945 86.641 -1.142 -13.378 1.00 0.00 C ATOM 1908 O PRO B 945 87.560 -0.395 -13.715 1.00 0.00 O ATOM 1909 CB PRO B 945 86.021 -2.066 -11.118 1.00 0.00 C ATOM 1910 CG PRO B 945 86.909 -1.376 -10.142 1.00 0.00 C ATOM 1911 CD PRO B 945 88.328 -1.856 -10.436 1.00 0.00 C ATOM 0 HA PRO B 945 86.640 -3.181 -12.905 1.00 0.00 H new ATOM 0 HB2 PRO B 945 85.136 -1.468 -11.336 1.00 0.00 H new ATOM 0 HB3 PRO B 945 85.672 -3.021 -10.726 1.00 0.00 H new ATOM 0 HG2 PRO B 945 86.835 -0.294 -10.248 1.00 0.00 H new ATOM 0 HG3 PRO B 945 86.622 -1.616 -9.118 1.00 0.00 H new ATOM 0 HD2 PRO B 945 89.059 -1.065 -10.271 1.00 0.00 H new ATOM 0 HD3 PRO B 945 88.609 -2.689 -9.792 1.00 0.00 H new ATOM 1919 N GLU B 946 85.407 -1.040 -13.861 1.00 0.00 N ATOM 1920 CA GLU B 946 85.049 -0.023 -14.838 1.00 0.00 C ATOM 1921 C GLU B 946 84.125 1.023 -14.210 1.00 0.00 C ATOM 1922 O GLU B 946 83.358 0.707 -13.300 1.00 0.00 O ATOM 1923 CB GLU B 946 84.349 -0.689 -16.028 1.00 0.00 C ATOM 1924 CG GLU B 946 85.369 -1.504 -16.826 1.00 0.00 C ATOM 1925 CD GLU B 946 84.687 -2.191 -18.005 1.00 0.00 C ATOM 1926 OE1 GLU B 946 83.469 -2.153 -18.064 1.00 0.00 O ATOM 1927 OE2 GLU B 946 85.393 -2.742 -18.834 1.00 0.00 O ATOM 0 H GLU B 946 84.638 -1.652 -13.590 1.00 0.00 H new ATOM 0 HA GLU B 946 85.955 0.478 -15.178 1.00 0.00 H new ATOM 0 HB2 GLU B 946 83.545 -1.336 -15.676 1.00 0.00 H new ATOM 0 HB3 GLU B 946 83.893 0.068 -16.666 1.00 0.00 H new ATOM 0 HG2 GLU B 946 86.165 -0.852 -17.186 1.00 0.00 H new ATOM 0 HG3 GLU B 946 85.835 -2.249 -16.181 1.00 0.00 H new ATOM 1934 N PRO B 947 84.177 2.254 -14.666 1.00 0.00 N ATOM 1935 CA PRO B 947 83.316 3.341 -14.113 1.00 0.00 C ATOM 1936 C PRO B 947 81.824 3.054 -14.273 1.00 0.00 C ATOM 1937 O PRO B 947 81.369 2.726 -15.368 1.00 0.00 O ATOM 1938 CB PRO B 947 83.704 4.579 -14.933 1.00 0.00 C ATOM 1939 CG PRO B 947 84.431 4.075 -16.129 1.00 0.00 C ATOM 1940 CD PRO B 947 85.056 2.746 -15.737 1.00 0.00 C ATOM 0 HA PRO B 947 83.472 3.457 -13.041 1.00 0.00 H new ATOM 0 HB2 PRO B 947 82.819 5.145 -15.225 1.00 0.00 H new ATOM 0 HB3 PRO B 947 84.334 5.251 -14.349 1.00 0.00 H new ATOM 0 HG2 PRO B 947 83.750 3.948 -16.970 1.00 0.00 H new ATOM 0 HG3 PRO B 947 85.197 4.784 -16.443 1.00 0.00 H new ATOM 0 HD2 PRO B 947 85.088 2.054 -16.579 1.00 0.00 H new ATOM 0 HD3 PRO B 947 86.081 2.872 -15.388 1.00 0.00 H new ATOM 1948 N PHE B 948 81.056 3.203 -13.188 1.00 0.00 N ATOM 1949 CA PHE B 948 79.616 2.976 -13.269 1.00 0.00 C ATOM 1950 C PHE B 948 78.893 3.921 -12.319 1.00 0.00 C ATOM 1951 O PHE B 948 79.453 4.351 -11.321 1.00 0.00 O ATOM 1952 CB PHE B 948 79.281 1.524 -12.918 1.00 0.00 C ATOM 1953 CG PHE B 948 79.530 1.283 -11.449 1.00 0.00 C ATOM 1954 CD1 PHE B 948 78.486 1.451 -10.532 1.00 0.00 C ATOM 1955 CD2 PHE B 948 80.799 0.892 -11.001 1.00 0.00 C ATOM 1956 CE1 PHE B 948 78.708 1.229 -9.170 1.00 0.00 C ATOM 1957 CE2 PHE B 948 81.021 0.669 -9.638 1.00 0.00 C ATOM 1958 CZ PHE B 948 79.974 0.838 -8.722 1.00 0.00 C ATOM 0 H PHE B 948 81.400 3.473 -12.266 1.00 0.00 H new ATOM 0 HA PHE B 948 79.287 3.170 -14.290 1.00 0.00 H new ATOM 0 HB2 PHE B 948 78.239 1.313 -13.159 1.00 0.00 H new ATOM 0 HB3 PHE B 948 79.890 0.846 -13.516 1.00 0.00 H new ATOM 0 HD1 PHE B 948 77.508 1.752 -10.877 1.00 0.00 H new ATOM 0 HD2 PHE B 948 81.605 0.763 -11.708 1.00 0.00 H new ATOM 0 HE1 PHE B 948 77.902 1.359 -8.463 1.00 0.00 H new ATOM 0 HE2 PHE B 948 81.998 0.367 -9.292 1.00 0.00 H new ATOM 0 HZ PHE B 948 80.145 0.666 -7.670 1.00 0.00 H new ATOM 1968 N GLU B 949 77.651 4.244 -12.635 1.00 0.00 N ATOM 1969 CA GLU B 949 76.882 5.151 -11.802 1.00 0.00 C ATOM 1970 C GLU B 949 76.176 4.395 -10.690 1.00 0.00 C ATOM 1971 O GLU B 949 75.443 3.437 -10.937 1.00 0.00 O ATOM 1972 CB GLU B 949 75.862 5.899 -12.667 1.00 0.00 C ATOM 1973 CG GLU B 949 74.895 4.898 -13.302 1.00 0.00 C ATOM 1974 CD GLU B 949 74.130 5.559 -14.444 1.00 0.00 C ATOM 1975 OE1 GLU B 949 74.447 6.691 -14.770 1.00 0.00 O ATOM 1976 OE2 GLU B 949 73.238 4.921 -14.978 1.00 0.00 O ATOM 0 H GLU B 949 77.157 3.895 -13.456 1.00 0.00 H new ATOM 0 HA GLU B 949 77.562 5.869 -11.343 1.00 0.00 H new ATOM 0 HB2 GLU B 949 75.311 6.616 -12.059 1.00 0.00 H new ATOM 0 HB3 GLU B 949 76.375 6.467 -13.443 1.00 0.00 H new ATOM 0 HG2 GLU B 949 75.446 4.035 -13.675 1.00 0.00 H new ATOM 0 HG3 GLU B 949 74.196 4.530 -12.551 1.00 0.00 H new ATOM 1983 N TYR B 950 76.399 4.838 -9.462 1.00 0.00 N ATOM 1984 CA TYR B 950 75.774 4.210 -8.316 1.00 0.00 C ATOM 1985 C TYR B 950 74.544 4.990 -7.911 1.00 0.00 C ATOM 1986 O TYR B 950 74.630 5.990 -7.198 1.00 0.00 O ATOM 1987 CB TYR B 950 76.754 4.148 -7.152 1.00 0.00 C ATOM 1988 CG TYR B 950 75.988 3.959 -5.870 1.00 0.00 C ATOM 1989 CD1 TYR B 950 75.390 2.727 -5.583 1.00 0.00 C ATOM 1990 CD2 TYR B 950 75.891 5.016 -4.960 1.00 0.00 C ATOM 1991 CE1 TYR B 950 74.693 2.553 -4.386 1.00 0.00 C ATOM 1992 CE2 TYR B 950 75.191 4.845 -3.765 1.00 0.00 C ATOM 1993 CZ TYR B 950 74.591 3.612 -3.474 1.00 0.00 C ATOM 1994 OH TYR B 950 73.902 3.443 -2.290 1.00 0.00 O ATOM 0 H TYR B 950 77.006 5.627 -9.238 1.00 0.00 H new ATOM 0 HA TYR B 950 75.482 3.195 -8.585 1.00 0.00 H new ATOM 0 HB2 TYR B 950 77.456 3.326 -7.295 1.00 0.00 H new ATOM 0 HB3 TYR B 950 77.342 5.065 -7.107 1.00 0.00 H new ATOM 0 HD1 TYR B 950 75.468 1.911 -6.287 1.00 0.00 H new ATOM 0 HD2 TYR B 950 76.358 5.964 -5.182 1.00 0.00 H new ATOM 0 HE1 TYR B 950 74.232 1.602 -4.163 1.00 0.00 H new ATOM 0 HE2 TYR B 950 75.111 5.663 -3.064 1.00 0.00 H new ATOM 0 HH TYR B 950 73.930 4.276 -1.774 1.00 0.00 H new ATOM 2004 N ILE B 951 73.400 4.514 -8.374 1.00 0.00 N ATOM 2005 CA ILE B 951 72.139 5.149 -8.074 1.00 0.00 C ATOM 2006 C ILE B 951 71.256 4.179 -7.319 1.00 0.00 C ATOM 2007 O ILE B 951 70.970 3.077 -7.791 1.00 0.00 O ATOM 2008 CB ILE B 951 71.465 5.581 -9.379 1.00 0.00 C ATOM 2009 CG1 ILE B 951 72.169 6.814 -9.946 1.00 0.00 C ATOM 2010 CG2 ILE B 951 69.998 5.914 -9.120 1.00 0.00 C ATOM 2011 CD1 ILE B 951 71.615 8.096 -9.304 1.00 0.00 C ATOM 0 H ILE B 951 73.325 3.684 -8.962 1.00 0.00 H new ATOM 0 HA ILE B 951 72.305 6.030 -7.454 1.00 0.00 H new ATOM 0 HB ILE B 951 71.531 4.763 -10.096 1.00 0.00 H new ATOM 0 HG12 ILE B 951 73.241 6.743 -9.763 1.00 0.00 H new ATOM 0 HG13 ILE B 951 72.032 6.853 -11.027 1.00 0.00 H new ATOM 0 HG21 ILE B 951 69.524 6.221 -10.053 1.00 0.00 H new ATOM 0 HG22 ILE B 951 69.489 5.034 -8.727 1.00 0.00 H new ATOM 0 HG23 ILE B 951 69.932 6.726 -8.395 1.00 0.00 H new ATOM 0 HD11 ILE B 951 72.128 8.963 -9.720 1.00 0.00 H new ATOM 0 HD12 ILE B 951 70.547 8.174 -9.509 1.00 0.00 H new ATOM 0 HD13 ILE B 951 71.776 8.062 -8.226 1.00 0.00 H new ATOM 2023 N ASP B 952 70.842 4.590 -6.137 1.00 0.00 N ATOM 2024 CA ASP B 952 70.013 3.740 -5.312 1.00 0.00 C ATOM 2025 C ASP B 952 68.702 3.451 -6.022 1.00 0.00 C ATOM 2026 O ASP B 952 67.674 4.064 -5.737 1.00 0.00 O ATOM 2027 CB ASP B 952 69.736 4.445 -3.988 1.00 0.00 C ATOM 2028 CG ASP B 952 69.182 3.458 -2.968 1.00 0.00 C ATOM 2029 OD1 ASP B 952 69.126 2.280 -3.282 1.00 0.00 O ATOM 2030 OD2 ASP B 952 68.824 3.893 -1.886 1.00 0.00 O ATOM 0 H ASP B 952 71.064 5.499 -5.731 1.00 0.00 H new ATOM 0 HA ASP B 952 70.529 2.798 -5.126 1.00 0.00 H new ATOM 0 HB2 ASP B 952 70.654 4.894 -3.608 1.00 0.00 H new ATOM 0 HB3 ASP B 952 69.025 5.256 -4.142 1.00 0.00 H new ATOM 2035 N ASP B 953 68.753 2.503 -6.947 1.00 0.00 N ATOM 2036 CA ASP B 953 67.561 2.122 -7.699 1.00 0.00 C ATOM 2037 C ASP B 953 66.674 1.202 -6.863 1.00 0.00 C ATOM 2038 O ASP B 953 67.185 0.612 -5.925 1.00 0.00 O ATOM 2039 CB ASP B 953 67.954 1.409 -8.992 1.00 0.00 C ATOM 2040 CG ASP B 953 68.631 0.081 -8.670 1.00 0.00 C ATOM 2041 OD1 ASP B 953 68.827 -0.192 -7.497 1.00 0.00 O ATOM 2042 OD2 ASP B 953 68.937 -0.645 -9.600 1.00 0.00 O ATOM 2043 OXT ASP B 953 65.498 1.102 -7.174 1.00 0.00 O ATOM 0 H ASP B 953 69.597 1.987 -7.195 1.00 0.00 H new ATOM 0 HA ASP B 953 67.008 3.029 -7.942 1.00 0.00 H new ATOM 0 HB2 ASP B 953 67.069 1.236 -9.605 1.00 0.00 H new ATOM 0 HB3 ASP B 953 68.627 2.038 -9.574 1.00 0.00 H new