USER MOD reduce.3.24.130724 H: found=0, std=0, add=976, rem=0, adj=27 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 -41:sc= 0.931 USER MOD Set 1.2: A 125 ASN : amide:sc= -1.45! C(o=-0.52!,f=-5.1!) USER MOD Set 2.1: A 66 SER OG : rot 180:sc= -0.255 USER MOD Set 2.2: A 68 ASN : amide:sc= -0.347 K(o=-0.6,f=-4.1!) USER MOD Set 3.1: A 50 GLN :FLIP amide:sc= -3.22! C(o=-4.1!,f=-3.1!) USER MOD Set 3.2: A 52 THR OG1 : rot 35:sc= 0.0803 USER MOD Single : A 21 LYS NZ :NH3+ -149:sc= 1.08 (180deg=0.125) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -128:sc= -0.276 (180deg=-2.68!) USER MOD Single : A 31 MET CE :methyl 140:sc= -4.06! (180deg=-6.85!) USER MOD Single : A 32 SER OG : rot 180:sc=-0.00485 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 62:sc= -0.146! USER MOD Single : A 37 THR OG1 : rot 101:sc= 0.757 USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.0029 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= 0.837 K(o=0.84,f=-0.88) USER MOD Single : A 55 SER OG : rot 180:sc= -0.0648 USER MOD Single : A 58 HIS : no HD1:sc= -0.121 X(o=-0.12,f=-0.088) USER MOD Single : A 60 CYS SG : rot 180:sc= 0 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 80 CYS SG : rot -57:sc= 0.18 USER MOD Single : A 83 LYS NZ :NH3+ -129:sc= 0.00719 (180deg=-1.62) USER MOD Single : A 87 GLN : amide:sc= -5.06! C(o=-5.1!,f=-5.3!) USER MOD Single : A 88 CYS SG : rot -61:sc= -0.855! USER MOD Single : A 90 SER OG : rot -19:sc= 0.547 USER MOD Single : A 94 TYR OH : rot 180:sc= 0.351 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ -116:sc= 0.74 (180deg=-0.439) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 GLN : amide:sc= -5.25! C(o=-5.2!,f=-8.5!) USER MOD Single : A 113 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.156) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 GLN : amide:sc= 0 X(o=0,f=-0.033) USER MOD Single : A 120 HIS : no HD1:sc= -0.367 X(o=-0.37,f=-0.017) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 TYR OH : rot 30:sc= -0.229 USER MOD Single : A 129 ASN : amide:sc= -0.0335 K(o=-0.034,f=-1.8!) USER MOD Single : B 950 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 17 N LYS A 21 99.768 3.829 16.496 1.00 0.00 N ATOM 18 CA LYS A 21 98.961 2.664 16.830 1.00 0.00 C ATOM 19 C LYS A 21 98.263 2.128 15.583 1.00 0.00 C ATOM 20 O LYS A 21 97.168 2.569 15.235 1.00 0.00 O ATOM 21 CB LYS A 21 97.918 3.047 17.883 1.00 0.00 C ATOM 22 CG LYS A 21 97.148 1.799 18.318 1.00 0.00 C ATOM 23 CD LYS A 21 96.167 2.170 19.432 1.00 0.00 C ATOM 24 CE LYS A 21 95.409 0.919 19.880 1.00 0.00 C ATOM 25 NZ LYS A 21 94.495 1.267 21.004 1.00 0.00 N ATOM 0 HA LYS A 21 99.612 1.886 17.229 1.00 0.00 H new ATOM 0 HB2 LYS A 21 98.406 3.504 18.744 1.00 0.00 H new ATOM 0 HB3 LYS A 21 97.230 3.788 17.476 1.00 0.00 H new ATOM 0 HG2 LYS A 21 96.609 1.376 17.470 1.00 0.00 H new ATOM 0 HG3 LYS A 21 97.841 1.034 18.668 1.00 0.00 H new ATOM 0 HD2 LYS A 21 96.704 2.604 20.275 1.00 0.00 H new ATOM 0 HD3 LYS A 21 95.466 2.926 19.077 1.00 0.00 H new ATOM 0 HE2 LYS A 21 94.838 0.509 19.047 1.00 0.00 H new ATOM 0 HE3 LYS A 21 96.112 0.148 20.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 94.390 0.446 21.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 94.892 2.065 21.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 93.564 1.534 20.625 1.00 0.00 H new ATOM 39 N TYR A 22 98.906 1.172 14.918 1.00 0.00 N ATOM 40 CA TYR A 22 98.342 0.578 13.707 1.00 0.00 C ATOM 41 C TYR A 22 98.001 -0.886 13.964 1.00 0.00 C ATOM 42 O TYR A 22 98.883 -1.694 14.256 1.00 0.00 O ATOM 43 CB TYR A 22 99.359 0.671 12.569 1.00 0.00 C ATOM 44 CG TYR A 22 99.769 2.113 12.388 1.00 0.00 C ATOM 45 CD1 TYR A 22 101.029 2.536 12.831 1.00 0.00 C ATOM 46 CD2 TYR A 22 98.895 3.025 11.787 1.00 0.00 C ATOM 47 CE1 TYR A 22 101.412 3.873 12.672 1.00 0.00 C ATOM 48 CE2 TYR A 22 99.281 4.364 11.628 1.00 0.00 C ATOM 49 CZ TYR A 22 100.540 4.786 12.072 1.00 0.00 C ATOM 50 OH TYR A 22 100.920 6.104 11.917 1.00 0.00 O ATOM 0 H TYR A 22 99.812 0.793 15.194 1.00 0.00 H new ATOM 0 HA TYR A 22 97.436 1.118 13.430 1.00 0.00 H new ATOM 0 HB2 TYR A 22 100.232 0.058 12.794 1.00 0.00 H new ATOM 0 HB3 TYR A 22 98.927 0.284 11.646 1.00 0.00 H new ATOM 0 HD1 TYR A 22 101.704 1.832 13.294 1.00 0.00 H new ATOM 0 HD2 TYR A 22 97.924 2.698 11.446 1.00 0.00 H new ATOM 0 HE1 TYR A 22 102.383 4.200 13.014 1.00 0.00 H new ATOM 0 HE2 TYR A 22 98.608 5.069 11.163 1.00 0.00 H new ATOM 0 HH TYR A 22 100.198 6.603 11.481 1.00 0.00 H new ATOM 60 N LEU A 23 96.720 -1.225 13.850 1.00 0.00 N ATOM 61 CA LEU A 23 96.287 -2.600 14.070 1.00 0.00 C ATOM 62 C LEU A 23 95.994 -3.280 12.742 1.00 0.00 C ATOM 63 O LEU A 23 96.487 -4.376 12.472 1.00 0.00 O ATOM 64 CB LEU A 23 95.037 -2.619 14.955 1.00 0.00 C ATOM 65 CG LEU A 23 95.414 -2.221 16.390 1.00 0.00 C ATOM 66 CD1 LEU A 23 94.142 -2.022 17.216 1.00 0.00 C ATOM 67 CD2 LEU A 23 96.276 -3.313 17.045 1.00 0.00 C ATOM 0 H LEU A 23 95.972 -0.575 13.609 1.00 0.00 H new ATOM 0 HA LEU A 23 97.087 -3.143 14.572 1.00 0.00 H new ATOM 0 HB2 LEU A 23 94.290 -1.931 14.561 1.00 0.00 H new ATOM 0 HB3 LEU A 23 94.590 -3.613 14.948 1.00 0.00 H new ATOM 0 HG LEU A 23 95.985 -1.293 16.355 1.00 0.00 H new ATOM 0 HD11 LEU A 23 94.410 -1.740 18.234 1.00 0.00 H new ATOM 0 HD12 LEU A 23 93.537 -1.234 16.768 1.00 0.00 H new ATOM 0 HD13 LEU A 23 93.572 -2.951 17.235 1.00 0.00 H new ATOM 0 HD21 LEU A 23 96.533 -3.013 18.061 1.00 0.00 H new ATOM 0 HD22 LEU A 23 95.718 -4.249 17.073 1.00 0.00 H new ATOM 0 HD23 LEU A 23 97.189 -3.452 16.466 1.00 0.00 H new ATOM 79 N VAL A 24 95.201 -2.615 11.910 1.00 0.00 N ATOM 80 CA VAL A 24 94.863 -3.158 10.606 1.00 0.00 C ATOM 81 C VAL A 24 95.023 -2.085 9.538 1.00 0.00 C ATOM 82 O VAL A 24 94.471 -0.991 9.651 1.00 0.00 O ATOM 83 CB VAL A 24 93.429 -3.678 10.615 1.00 0.00 C ATOM 84 CG1 VAL A 24 93.081 -4.275 9.252 1.00 0.00 C ATOM 85 CG2 VAL A 24 93.276 -4.748 11.700 1.00 0.00 C ATOM 0 H VAL A 24 94.785 -1.707 12.115 1.00 0.00 H new ATOM 0 HA VAL A 24 95.537 -3.984 10.380 1.00 0.00 H new ATOM 0 HB VAL A 24 92.752 -2.850 10.824 1.00 0.00 H new ATOM 0 HG11 VAL A 24 92.055 -4.644 9.267 1.00 0.00 H new ATOM 0 HG12 VAL A 24 93.179 -3.509 8.483 1.00 0.00 H new ATOM 0 HG13 VAL A 24 93.760 -5.099 9.032 1.00 0.00 H new ATOM 0 HG21 VAL A 24 92.251 -5.118 11.704 1.00 0.00 H new ATOM 0 HG22 VAL A 24 93.958 -5.573 11.496 1.00 0.00 H new ATOM 0 HG23 VAL A 24 93.510 -4.316 12.673 1.00 0.00 H new ATOM 95 N GLU A 25 95.774 -2.408 8.500 1.00 0.00 N ATOM 96 CA GLU A 25 95.990 -1.464 7.413 1.00 0.00 C ATOM 97 C GLU A 25 96.514 -2.188 6.176 1.00 0.00 C ATOM 98 O GLU A 25 97.344 -3.090 6.283 1.00 0.00 O ATOM 99 CB GLU A 25 96.988 -0.390 7.859 1.00 0.00 C ATOM 100 CG GLU A 25 98.368 -1.017 8.074 1.00 0.00 C ATOM 101 CD GLU A 25 99.305 0.004 8.712 1.00 0.00 C ATOM 102 OE1 GLU A 25 98.820 1.045 9.124 1.00 0.00 O ATOM 103 OE2 GLU A 25 100.493 -0.267 8.772 1.00 0.00 O ATOM 0 H GLU A 25 96.241 -3.307 8.385 1.00 0.00 H new ATOM 0 HA GLU A 25 95.042 -0.991 7.158 1.00 0.00 H new ATOM 0 HB2 GLU A 25 97.050 0.396 7.107 1.00 0.00 H new ATOM 0 HB3 GLU A 25 96.644 0.078 8.781 1.00 0.00 H new ATOM 0 HG2 GLU A 25 98.283 -1.896 8.713 1.00 0.00 H new ATOM 0 HG3 GLU A 25 98.777 -1.354 7.122 1.00 0.00 H new ATOM 110 N PHE A 26 96.035 -1.784 5.004 1.00 0.00 N ATOM 111 CA PHE A 26 96.477 -2.408 3.755 1.00 0.00 C ATOM 112 C PHE A 26 95.763 -1.786 2.554 1.00 0.00 C ATOM 113 O PHE A 26 94.855 -0.970 2.712 1.00 0.00 O ATOM 114 CB PHE A 26 96.195 -3.913 3.794 1.00 0.00 C ATOM 115 CG PHE A 26 97.497 -4.675 3.947 1.00 0.00 C ATOM 116 CD1 PHE A 26 97.760 -5.388 5.124 1.00 0.00 C ATOM 117 CD2 PHE A 26 98.440 -4.669 2.911 1.00 0.00 C ATOM 118 CE1 PHE A 26 98.963 -6.091 5.265 1.00 0.00 C ATOM 119 CE2 PHE A 26 99.643 -5.373 3.052 1.00 0.00 C ATOM 120 CZ PHE A 26 99.904 -6.084 4.228 1.00 0.00 C ATOM 0 H PHE A 26 95.350 -1.037 4.889 1.00 0.00 H new ATOM 0 HA PHE A 26 97.549 -2.239 3.650 1.00 0.00 H new ATOM 0 HB2 PHE A 26 95.527 -4.146 4.623 1.00 0.00 H new ATOM 0 HB3 PHE A 26 95.688 -4.221 2.880 1.00 0.00 H new ATOM 0 HD1 PHE A 26 97.034 -5.396 5.924 1.00 0.00 H new ATOM 0 HD2 PHE A 26 98.239 -4.121 2.002 1.00 0.00 H new ATOM 0 HE1 PHE A 26 99.165 -6.639 6.174 1.00 0.00 H new ATOM 0 HE2 PHE A 26 100.369 -5.367 2.253 1.00 0.00 H new ATOM 0 HZ PHE A 26 100.831 -6.627 4.336 1.00 0.00 H new ATOM 130 N ARG A 27 96.184 -2.176 1.354 1.00 0.00 N ATOM 131 CA ARG A 27 95.580 -1.651 0.135 1.00 0.00 C ATOM 132 C ARG A 27 94.274 -2.379 -0.170 1.00 0.00 C ATOM 133 O ARG A 27 94.034 -3.478 0.330 1.00 0.00 O ATOM 134 CB ARG A 27 96.540 -1.802 -1.046 1.00 0.00 C ATOM 135 CG ARG A 27 97.777 -0.914 -0.839 1.00 0.00 C ATOM 136 CD ARG A 27 98.643 -1.449 0.310 1.00 0.00 C ATOM 137 NE ARG A 27 100.025 -1.017 0.138 1.00 0.00 N ATOM 138 CZ ARG A 27 100.863 -1.701 -0.631 1.00 0.00 C ATOM 139 NH1 ARG A 27 102.098 -1.304 -0.762 1.00 0.00 N ATOM 140 NH2 ARG A 27 100.450 -2.770 -1.256 1.00 0.00 N ATOM 0 H ARG A 27 96.935 -2.849 1.201 1.00 0.00 H new ATOM 0 HA ARG A 27 95.370 -0.593 0.289 1.00 0.00 H new ATOM 0 HB2 ARG A 27 96.844 -2.844 -1.147 1.00 0.00 H new ATOM 0 HB3 ARG A 27 96.036 -1.526 -1.972 1.00 0.00 H new ATOM 0 HG2 ARG A 27 98.363 -0.879 -1.757 1.00 0.00 H new ATOM 0 HG3 ARG A 27 97.465 0.107 -0.621 1.00 0.00 H new ATOM 0 HD2 ARG A 27 98.257 -1.090 1.264 1.00 0.00 H new ATOM 0 HD3 ARG A 27 98.595 -2.538 0.336 1.00 0.00 H new ATOM 0 HE ARG A 27 100.352 -0.177 0.615 1.00 0.00 H new ATOM 0 HH11 ARG A 27 102.420 -0.468 -0.274 1.00 0.00 H new ATOM 0 HH12 ARG A 27 102.743 -1.829 -1.353 1.00 0.00 H new ATOM 0 HH21 ARG A 27 99.483 -3.079 -1.153 1.00 0.00 H new ATOM 0 HH22 ARG A 27 101.094 -3.296 -1.847 1.00 0.00 H new ATOM 154 N ALA A 28 93.432 -1.759 -0.989 1.00 0.00 N ATOM 155 CA ALA A 28 92.154 -2.351 -1.351 1.00 0.00 C ATOM 156 C ALA A 28 91.649 -1.758 -2.662 1.00 0.00 C ATOM 157 O ALA A 28 92.054 -0.665 -3.058 1.00 0.00 O ATOM 158 CB ALA A 28 91.131 -2.104 -0.244 1.00 0.00 C ATOM 0 H ALA A 28 93.613 -0.849 -1.413 1.00 0.00 H new ATOM 0 HA ALA A 28 92.291 -3.425 -1.479 1.00 0.00 H new ATOM 0 HB1 ALA A 28 90.177 -2.551 -0.524 1.00 0.00 H new ATOM 0 HB2 ALA A 28 91.484 -2.553 0.684 1.00 0.00 H new ATOM 0 HB3 ALA A 28 91.001 -1.031 -0.101 1.00 0.00 H new ATOM 164 N GLY A 29 90.762 -2.488 -3.326 1.00 0.00 N ATOM 165 CA GLY A 29 90.197 -2.033 -4.592 1.00 0.00 C ATOM 166 C GLY A 29 88.702 -1.774 -4.452 1.00 0.00 C ATOM 167 O GLY A 29 87.951 -2.642 -4.009 1.00 0.00 O ATOM 0 H GLY A 29 90.418 -3.395 -3.011 1.00 0.00 H new ATOM 0 HA2 GLY A 29 90.701 -1.121 -4.914 1.00 0.00 H new ATOM 0 HA3 GLY A 29 90.371 -2.783 -5.364 1.00 0.00 H new ATOM 171 N LYS A 30 88.277 -0.577 -4.839 1.00 0.00 N ATOM 172 CA LYS A 30 86.866 -0.212 -4.753 1.00 0.00 C ATOM 173 C LYS A 30 86.166 -0.493 -6.077 1.00 0.00 C ATOM 174 O LYS A 30 86.714 -1.170 -6.947 1.00 0.00 O ATOM 175 CB LYS A 30 86.729 1.270 -4.408 1.00 0.00 C ATOM 176 CG LYS A 30 85.627 1.449 -3.365 1.00 0.00 C ATOM 177 CD LYS A 30 85.359 2.941 -3.155 1.00 0.00 C ATOM 178 CE LYS A 30 84.217 3.385 -4.071 1.00 0.00 C ATOM 179 NZ LYS A 30 82.944 2.757 -3.619 1.00 0.00 N ATOM 0 H LYS A 30 88.883 0.153 -5.213 1.00 0.00 H new ATOM 0 HA LYS A 30 86.400 -0.810 -3.970 1.00 0.00 H new ATOM 0 HB2 LYS A 30 87.674 1.654 -4.024 1.00 0.00 H new ATOM 0 HB3 LYS A 30 86.493 1.843 -5.305 1.00 0.00 H new ATOM 0 HG2 LYS A 30 84.716 0.948 -3.693 1.00 0.00 H new ATOM 0 HG3 LYS A 30 85.924 0.986 -2.424 1.00 0.00 H new ATOM 0 HD2 LYS A 30 85.100 3.132 -2.114 1.00 0.00 H new ATOM 0 HD3 LYS A 30 86.259 3.517 -3.371 1.00 0.00 H new ATOM 0 HE2 LYS A 30 84.125 4.471 -4.055 1.00 0.00 H new ATOM 0 HE3 LYS A 30 84.430 3.099 -5.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 82.487 2.282 -4.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 83.146 2.060 -2.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 82.309 3.490 -3.244 1.00 0.00 H new ATOM 193 N MET A 31 84.950 0.026 -6.225 1.00 0.00 N ATOM 194 CA MET A 31 84.196 -0.184 -7.454 1.00 0.00 C ATOM 195 C MET A 31 83.579 1.135 -7.927 1.00 0.00 C ATOM 196 O MET A 31 83.169 1.960 -7.113 1.00 0.00 O ATOM 197 CB MET A 31 83.099 -1.211 -7.198 1.00 0.00 C ATOM 198 CG MET A 31 83.730 -2.509 -6.695 1.00 0.00 C ATOM 199 SD MET A 31 82.451 -3.787 -6.580 1.00 0.00 S ATOM 200 CE MET A 31 82.242 -4.101 -8.355 1.00 0.00 C ATOM 0 H MET A 31 84.472 0.587 -5.519 1.00 0.00 H new ATOM 0 HA MET A 31 84.866 -0.551 -8.232 1.00 0.00 H new ATOM 0 HB2 MET A 31 82.391 -0.828 -6.463 1.00 0.00 H new ATOM 0 HB3 MET A 31 82.538 -1.397 -8.114 1.00 0.00 H new ATOM 0 HG2 MET A 31 84.521 -2.829 -7.373 1.00 0.00 H new ATOM 0 HG3 MET A 31 84.191 -2.350 -5.720 1.00 0.00 H new ATOM 0 HE1 MET A 31 82.119 -5.171 -8.523 1.00 0.00 H new ATOM 0 HE2 MET A 31 81.359 -3.573 -8.716 1.00 0.00 H new ATOM 0 HE3 MET A 31 83.122 -3.748 -8.893 1.00 0.00 H new ATOM 210 N SER A 32 83.530 1.341 -9.243 1.00 0.00 N ATOM 211 CA SER A 32 82.975 2.569 -9.781 1.00 0.00 C ATOM 212 C SER A 32 81.455 2.523 -9.707 1.00 0.00 C ATOM 213 O SER A 32 80.855 1.480 -9.954 1.00 0.00 O ATOM 214 CB SER A 32 83.413 2.724 -11.231 1.00 0.00 C ATOM 215 OG SER A 32 84.833 2.752 -11.287 1.00 0.00 O ATOM 0 H SER A 32 83.865 0.679 -9.943 1.00 0.00 H new ATOM 0 HA SER A 32 83.334 3.417 -9.198 1.00 0.00 H new ATOM 0 HB2 SER A 32 83.029 1.898 -11.830 1.00 0.00 H new ATOM 0 HB3 SER A 32 83.002 3.641 -11.652 1.00 0.00 H new ATOM 0 HG SER A 32 85.122 2.850 -12.218 1.00 0.00 H new ATOM 221 N LEU A 33 80.837 3.653 -9.367 1.00 0.00 N ATOM 222 CA LEU A 33 79.382 3.715 -9.265 1.00 0.00 C ATOM 223 C LEU A 33 78.842 4.820 -10.161 1.00 0.00 C ATOM 224 O LEU A 33 79.029 6.003 -9.880 1.00 0.00 O ATOM 225 CB LEU A 33 78.972 4.001 -7.820 1.00 0.00 C ATOM 226 CG LEU A 33 77.456 3.810 -7.661 1.00 0.00 C ATOM 227 CD1 LEU A 33 77.082 2.339 -7.891 1.00 0.00 C ATOM 228 CD2 LEU A 33 77.037 4.226 -6.248 1.00 0.00 C ATOM 0 H LEU A 33 81.316 4.529 -9.160 1.00 0.00 H new ATOM 0 HA LEU A 33 78.971 2.756 -9.580 1.00 0.00 H new ATOM 0 HB2 LEU A 33 79.505 3.334 -7.142 1.00 0.00 H new ATOM 0 HB3 LEU A 33 79.250 5.019 -7.548 1.00 0.00 H new ATOM 0 HG LEU A 33 76.940 4.428 -8.396 1.00 0.00 H new ATOM 0 HD11 LEU A 33 76.005 2.215 -7.776 1.00 0.00 H new ATOM 0 HD12 LEU A 33 77.376 2.042 -8.898 1.00 0.00 H new ATOM 0 HD13 LEU A 33 77.599 1.714 -7.163 1.00 0.00 H new ATOM 0 HD21 LEU A 33 75.961 4.091 -6.133 1.00 0.00 H new ATOM 0 HD22 LEU A 33 77.560 3.610 -5.517 1.00 0.00 H new ATOM 0 HD23 LEU A 33 77.291 5.274 -6.087 1.00 0.00 H new ATOM 240 N LYS A 34 78.179 4.427 -11.241 1.00 0.00 N ATOM 241 CA LYS A 34 77.625 5.397 -12.177 1.00 0.00 C ATOM 242 C LYS A 34 76.177 5.038 -12.505 1.00 0.00 C ATOM 243 O LYS A 34 75.894 3.902 -12.875 1.00 0.00 O ATOM 244 CB LYS A 34 78.456 5.375 -13.460 1.00 0.00 C ATOM 245 CG LYS A 34 79.925 5.672 -13.134 1.00 0.00 C ATOM 246 CD LYS A 34 80.795 5.392 -14.363 1.00 0.00 C ATOM 247 CE LYS A 34 81.197 3.908 -14.392 1.00 0.00 C ATOM 248 NZ LYS A 34 82.033 3.649 -15.597 1.00 0.00 N ATOM 0 H LYS A 34 78.013 3.452 -11.489 1.00 0.00 H new ATOM 0 HA LYS A 34 77.651 6.391 -11.730 1.00 0.00 H new ATOM 0 HB2 LYS A 34 78.371 4.401 -13.942 1.00 0.00 H new ATOM 0 HB3 LYS A 34 78.074 6.114 -14.164 1.00 0.00 H new ATOM 0 HG2 LYS A 34 80.036 6.712 -12.828 1.00 0.00 H new ATOM 0 HG3 LYS A 34 80.253 5.056 -12.297 1.00 0.00 H new ATOM 0 HD2 LYS A 34 80.250 5.648 -15.271 1.00 0.00 H new ATOM 0 HD3 LYS A 34 81.686 6.019 -14.339 1.00 0.00 H new ATOM 0 HE2 LYS A 34 81.751 3.651 -13.489 1.00 0.00 H new ATOM 0 HE3 LYS A 34 80.307 3.278 -14.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 82.307 2.646 -15.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 81.489 3.879 -16.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 82.888 4.241 -15.560 1.00 0.00 H new ATOM 262 N GLY A 35 75.272 6.012 -12.379 1.00 0.00 N ATOM 263 CA GLY A 35 73.854 5.781 -12.681 1.00 0.00 C ATOM 264 C GLY A 35 73.449 4.350 -12.360 1.00 0.00 C ATOM 265 O GLY A 35 73.130 3.569 -13.257 1.00 0.00 O ATOM 0 H GLY A 35 75.491 6.960 -12.073 1.00 0.00 H new ATOM 0 HA2 GLY A 35 73.239 6.473 -12.106 1.00 0.00 H new ATOM 0 HA3 GLY A 35 73.666 5.987 -13.735 1.00 0.00 H new ATOM 269 N THR A 36 73.510 3.997 -11.085 1.00 0.00 N ATOM 270 CA THR A 36 73.190 2.645 -10.660 1.00 0.00 C ATOM 271 C THR A 36 73.967 1.640 -11.513 1.00 0.00 C ATOM 272 O THR A 36 73.386 0.849 -12.252 1.00 0.00 O ATOM 273 CB THR A 36 71.690 2.377 -10.797 1.00 0.00 C ATOM 274 OG1 THR A 36 71.170 3.154 -11.865 1.00 0.00 O ATOM 275 CG2 THR A 36 70.967 2.736 -9.496 1.00 0.00 C ATOM 0 H THR A 36 73.778 4.627 -10.329 1.00 0.00 H new ATOM 0 HA THR A 36 73.471 2.535 -9.613 1.00 0.00 H new ATOM 0 HB THR A 36 71.533 1.318 -11.004 1.00 0.00 H new ATOM 0 HG1 THR A 36 71.607 2.893 -12.702 1.00 0.00 H new ATOM 0 HG21 THR A 36 69.900 2.541 -9.607 1.00 0.00 H new ATOM 0 HG22 THR A 36 71.364 2.131 -8.680 1.00 0.00 H new ATOM 0 HG23 THR A 36 71.121 3.792 -9.273 1.00 0.00 H new ATOM 283 N THR A 37 75.284 1.675 -11.386 1.00 0.00 N ATOM 284 CA THR A 37 76.149 0.754 -12.124 1.00 0.00 C ATOM 285 C THR A 37 77.425 0.506 -11.333 1.00 0.00 C ATOM 286 O THR A 37 78.287 1.374 -11.253 1.00 0.00 O ATOM 287 CB THR A 37 76.504 1.339 -13.493 1.00 0.00 C ATOM 288 OG1 THR A 37 75.342 1.912 -14.074 1.00 0.00 O ATOM 289 CG2 THR A 37 77.027 0.227 -14.401 1.00 0.00 C ATOM 0 H THR A 37 75.781 2.328 -10.781 1.00 0.00 H new ATOM 0 HA THR A 37 75.618 -0.187 -12.268 1.00 0.00 H new ATOM 0 HB THR A 37 77.271 2.104 -13.375 1.00 0.00 H new ATOM 0 HG1 THR A 37 75.368 2.886 -13.965 1.00 0.00 H new ATOM 0 HG21 THR A 37 77.280 0.643 -15.376 1.00 0.00 H new ATOM 0 HG22 THR A 37 77.916 -0.219 -13.955 1.00 0.00 H new ATOM 0 HG23 THR A 37 76.259 -0.537 -14.520 1.00 0.00 H new ATOM 297 N VAL A 38 77.528 -0.669 -10.730 1.00 0.00 N ATOM 298 CA VAL A 38 78.695 -0.992 -9.921 1.00 0.00 C ATOM 299 C VAL A 38 79.689 -1.813 -10.719 1.00 0.00 C ATOM 300 O VAL A 38 79.382 -2.925 -11.134 1.00 0.00 O ATOM 301 CB VAL A 38 78.263 -1.809 -8.708 1.00 0.00 C ATOM 302 CG1 VAL A 38 79.433 -1.933 -7.735 1.00 0.00 C ATOM 303 CG2 VAL A 38 77.088 -1.125 -8.024 1.00 0.00 C ATOM 0 H VAL A 38 76.827 -1.408 -10.784 1.00 0.00 H new ATOM 0 HA VAL A 38 79.163 -0.059 -9.608 1.00 0.00 H new ATOM 0 HB VAL A 38 77.957 -2.805 -9.029 1.00 0.00 H new ATOM 0 HG11 VAL A 38 79.125 -2.517 -6.868 1.00 0.00 H new ATOM 0 HG12 VAL A 38 80.267 -2.431 -8.230 1.00 0.00 H new ATOM 0 HG13 VAL A 38 79.744 -0.940 -7.412 1.00 0.00 H new ATOM 0 HG21 VAL A 38 76.781 -1.710 -7.157 1.00 0.00 H new ATOM 0 HG22 VAL A 38 77.385 -0.127 -7.701 1.00 0.00 H new ATOM 0 HG23 VAL A 38 76.255 -1.047 -8.723 1.00 0.00 H new ATOM 313 N THR A 39 80.880 -1.269 -10.931 1.00 0.00 N ATOM 314 CA THR A 39 81.893 -1.988 -11.680 1.00 0.00 C ATOM 315 C THR A 39 83.275 -1.813 -11.053 1.00 0.00 C ATOM 316 O THR A 39 83.465 -0.959 -10.194 1.00 0.00 O ATOM 317 CB THR A 39 81.933 -1.487 -13.111 1.00 0.00 C ATOM 318 OG1 THR A 39 83.137 -0.764 -13.318 1.00 0.00 O ATOM 319 CG2 THR A 39 80.735 -0.570 -13.391 1.00 0.00 C ATOM 0 H THR A 39 81.163 -0.347 -10.600 1.00 0.00 H new ATOM 0 HA THR A 39 81.631 -3.046 -11.661 1.00 0.00 H new ATOM 0 HB THR A 39 81.888 -2.341 -13.787 1.00 0.00 H new ATOM 0 HG1 THR A 39 83.169 -0.439 -14.242 1.00 0.00 H new ATOM 0 HG21 THR A 39 80.779 -0.219 -14.422 1.00 0.00 H new ATOM 0 HG22 THR A 39 79.809 -1.123 -13.235 1.00 0.00 H new ATOM 0 HG23 THR A 39 80.765 0.285 -12.715 1.00 0.00 H new ATOM 327 N PRO A 40 84.246 -2.595 -11.466 1.00 0.00 N ATOM 328 CA PRO A 40 85.626 -2.494 -10.912 1.00 0.00 C ATOM 329 C PRO A 40 86.197 -1.078 -11.002 1.00 0.00 C ATOM 330 O PRO A 40 86.164 -0.452 -12.061 1.00 0.00 O ATOM 331 CB PRO A 40 86.448 -3.436 -11.792 1.00 0.00 C ATOM 332 CG PRO A 40 85.473 -4.402 -12.366 1.00 0.00 C ATOM 333 CD PRO A 40 84.148 -3.654 -12.488 1.00 0.00 C ATOM 0 HA PRO A 40 85.642 -2.749 -9.852 1.00 0.00 H new ATOM 0 HB2 PRO A 40 86.964 -2.886 -12.579 1.00 0.00 H new ATOM 0 HB3 PRO A 40 87.212 -3.950 -11.209 1.00 0.00 H new ATOM 0 HG2 PRO A 40 85.808 -4.760 -13.339 1.00 0.00 H new ATOM 0 HG3 PRO A 40 85.368 -5.276 -11.724 1.00 0.00 H new ATOM 0 HD2 PRO A 40 84.015 -3.236 -13.486 1.00 0.00 H new ATOM 0 HD3 PRO A 40 83.299 -4.312 -12.302 1.00 0.00 H new ATOM 341 N ASP A 41 86.744 -0.595 -9.890 1.00 0.00 N ATOM 342 CA ASP A 41 87.348 0.737 -9.860 1.00 0.00 C ATOM 343 C ASP A 41 88.841 0.648 -10.160 1.00 0.00 C ATOM 344 O ASP A 41 89.607 0.065 -9.391 1.00 0.00 O ATOM 345 CB ASP A 41 87.154 1.393 -8.492 1.00 0.00 C ATOM 346 CG ASP A 41 87.694 2.820 -8.512 1.00 0.00 C ATOM 347 OD1 ASP A 41 88.015 3.296 -9.588 1.00 0.00 O ATOM 348 OD2 ASP A 41 87.777 3.415 -7.450 1.00 0.00 O ATOM 0 H ASP A 41 86.783 -1.099 -9.004 1.00 0.00 H new ATOM 0 HA ASP A 41 86.855 1.343 -10.620 1.00 0.00 H new ATOM 0 HB2 ASP A 41 86.096 1.400 -8.231 1.00 0.00 H new ATOM 0 HB3 ASP A 41 87.668 0.812 -7.726 1.00 0.00 H new ATOM 353 N LYS A 42 89.248 1.227 -11.280 1.00 0.00 N ATOM 354 CA LYS A 42 90.654 1.202 -11.667 1.00 0.00 C ATOM 355 C LYS A 42 91.505 1.935 -10.639 1.00 0.00 C ATOM 356 O LYS A 42 92.718 1.737 -10.572 1.00 0.00 O ATOM 357 CB LYS A 42 90.846 1.849 -13.039 1.00 0.00 C ATOM 358 CG LYS A 42 90.252 0.939 -14.117 1.00 0.00 C ATOM 359 CD LYS A 42 90.300 1.627 -15.489 1.00 0.00 C ATOM 360 CE LYS A 42 91.742 1.683 -16.012 1.00 0.00 C ATOM 361 NZ LYS A 42 91.733 2.141 -17.433 1.00 0.00 N ATOM 0 H LYS A 42 88.634 1.715 -11.932 1.00 0.00 H new ATOM 0 HA LYS A 42 90.970 0.160 -11.716 1.00 0.00 H new ATOM 0 HB2 LYS A 42 90.362 2.825 -13.064 1.00 0.00 H new ATOM 0 HB3 LYS A 42 91.906 2.014 -13.230 1.00 0.00 H new ATOM 0 HG2 LYS A 42 90.806 0.001 -14.155 1.00 0.00 H new ATOM 0 HG3 LYS A 42 89.221 0.691 -13.864 1.00 0.00 H new ATOM 0 HD2 LYS A 42 89.671 1.086 -16.196 1.00 0.00 H new ATOM 0 HD3 LYS A 42 89.896 2.636 -15.411 1.00 0.00 H new ATOM 0 HE2 LYS A 42 92.336 2.363 -15.402 1.00 0.00 H new ATOM 0 HE3 LYS A 42 92.207 0.700 -15.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 92.709 2.180 -17.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 91.179 1.475 -18.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 91.305 3.087 -17.490 1.00 0.00 H new ATOM 375 N ARG A 43 90.868 2.789 -9.846 1.00 0.00 N ATOM 376 CA ARG A 43 91.590 3.545 -8.832 1.00 0.00 C ATOM 377 C ARG A 43 91.651 2.759 -7.524 1.00 0.00 C ATOM 378 O ARG A 43 90.620 2.412 -6.951 1.00 0.00 O ATOM 379 CB ARG A 43 90.887 4.878 -8.582 1.00 0.00 C ATOM 380 CG ARG A 43 91.805 5.800 -7.775 1.00 0.00 C ATOM 381 CD ARG A 43 90.955 6.729 -6.908 1.00 0.00 C ATOM 382 NE ARG A 43 90.043 7.510 -7.735 1.00 0.00 N ATOM 383 CZ ARG A 43 90.443 8.623 -8.337 1.00 0.00 C ATOM 384 NH1 ARG A 43 89.607 9.304 -9.070 1.00 0.00 N ATOM 385 NH2 ARG A 43 91.672 9.037 -8.192 1.00 0.00 N ATOM 0 H ARG A 43 89.866 2.973 -9.885 1.00 0.00 H new ATOM 0 HA ARG A 43 92.604 3.723 -9.190 1.00 0.00 H new ATOM 0 HB2 ARG A 43 90.627 5.347 -9.531 1.00 0.00 H new ATOM 0 HB3 ARG A 43 89.955 4.713 -8.042 1.00 0.00 H new ATOM 0 HG2 ARG A 43 92.473 5.209 -7.148 1.00 0.00 H new ATOM 0 HG3 ARG A 43 92.433 6.385 -8.447 1.00 0.00 H new ATOM 0 HD2 ARG A 43 90.388 6.143 -6.185 1.00 0.00 H new ATOM 0 HD3 ARG A 43 91.602 7.397 -6.339 1.00 0.00 H new ATOM 0 HE ARG A 43 89.080 7.195 -7.853 1.00 0.00 H new ATOM 0 HH11 ARG A 43 88.646 8.981 -9.181 1.00 0.00 H new ATOM 0 HH12 ARG A 43 89.914 10.159 -9.533 1.00 0.00 H new ATOM 0 HH21 ARG A 43 92.325 8.505 -7.616 1.00 0.00 H new ATOM 0 HH22 ARG A 43 91.980 9.892 -8.655 1.00 0.00 H new ATOM 399 N LYS A 44 92.865 2.493 -7.050 1.00 0.00 N ATOM 400 CA LYS A 44 93.040 1.757 -5.802 1.00 0.00 C ATOM 401 C LYS A 44 92.974 2.708 -4.609 1.00 0.00 C ATOM 402 O LYS A 44 93.328 3.882 -4.724 1.00 0.00 O ATOM 403 CB LYS A 44 94.388 1.034 -5.797 1.00 0.00 C ATOM 404 CG LYS A 44 94.450 0.066 -6.983 1.00 0.00 C ATOM 405 CD LYS A 44 95.741 -0.760 -6.923 1.00 0.00 C ATOM 406 CE LYS A 44 95.552 -1.972 -6.003 1.00 0.00 C ATOM 407 NZ LYS A 44 96.795 -2.796 -6.009 1.00 0.00 N ATOM 0 H LYS A 44 93.734 2.773 -7.506 1.00 0.00 H new ATOM 0 HA LYS A 44 92.236 1.025 -5.723 1.00 0.00 H new ATOM 0 HB2 LYS A 44 95.201 1.757 -5.860 1.00 0.00 H new ATOM 0 HB3 LYS A 44 94.518 0.490 -4.862 1.00 0.00 H new ATOM 0 HG2 LYS A 44 93.584 -0.596 -6.967 1.00 0.00 H new ATOM 0 HG3 LYS A 44 94.409 0.623 -7.919 1.00 0.00 H new ATOM 0 HD2 LYS A 44 96.015 -1.093 -7.924 1.00 0.00 H new ATOM 0 HD3 LYS A 44 96.561 -0.141 -6.558 1.00 0.00 H new ATOM 0 HE2 LYS A 44 95.326 -1.641 -4.989 1.00 0.00 H new ATOM 0 HE3 LYS A 44 94.705 -2.569 -6.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 96.669 -3.619 -5.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 96.991 -3.122 -6.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 97.593 -2.223 -5.669 1.00 0.00 H new ATOM 421 N GLY A 45 92.521 2.196 -3.468 1.00 0.00 N ATOM 422 CA GLY A 45 92.418 3.012 -2.263 1.00 0.00 C ATOM 423 C GLY A 45 93.253 2.426 -1.142 1.00 0.00 C ATOM 424 O GLY A 45 93.773 1.313 -1.256 1.00 0.00 O ATOM 0 H GLY A 45 92.222 1.228 -3.353 1.00 0.00 H new ATOM 0 HA2 GLY A 45 92.750 4.028 -2.477 1.00 0.00 H new ATOM 0 HA3 GLY A 45 91.376 3.077 -1.950 1.00 0.00 H new ATOM 428 N LEU A 46 93.374 3.182 -0.057 1.00 0.00 N ATOM 429 CA LEU A 46 94.153 2.727 1.090 1.00 0.00 C ATOM 430 C LEU A 46 93.246 2.559 2.302 1.00 0.00 C ATOM 431 O LEU A 46 92.660 3.522 2.779 1.00 0.00 O ATOM 432 CB LEU A 46 95.244 3.743 1.420 1.00 0.00 C ATOM 433 CG LEU A 46 96.418 3.035 2.104 1.00 0.00 C ATOM 434 CD1 LEU A 46 97.282 2.314 1.061 1.00 0.00 C ATOM 435 CD2 LEU A 46 97.277 4.065 2.844 1.00 0.00 C ATOM 0 H LEU A 46 92.948 4.102 0.053 1.00 0.00 H new ATOM 0 HA LEU A 46 94.611 1.770 0.841 1.00 0.00 H new ATOM 0 HB2 LEU A 46 95.584 4.235 0.509 1.00 0.00 H new ATOM 0 HB3 LEU A 46 94.846 4.520 2.072 1.00 0.00 H new ATOM 0 HG LEU A 46 96.025 2.304 2.811 1.00 0.00 H new ATOM 0 HD11 LEU A 46 98.113 1.815 1.559 1.00 0.00 H new ATOM 0 HD12 LEU A 46 96.677 1.575 0.536 1.00 0.00 H new ATOM 0 HD13 LEU A 46 97.671 3.039 0.346 1.00 0.00 H new ATOM 0 HD21 LEU A 46 98.112 3.560 3.330 1.00 0.00 H new ATOM 0 HD22 LEU A 46 97.660 4.797 2.133 1.00 0.00 H new ATOM 0 HD23 LEU A 46 96.671 4.571 3.596 1.00 0.00 H new ATOM 447 N VAL A 47 93.135 1.329 2.787 1.00 0.00 N ATOM 448 CA VAL A 47 92.290 1.044 3.941 1.00 0.00 C ATOM 449 C VAL A 47 93.089 1.072 5.235 1.00 0.00 C ATOM 450 O VAL A 47 94.006 0.273 5.431 1.00 0.00 O ATOM 451 CB VAL A 47 91.645 -0.332 3.779 1.00 0.00 C ATOM 452 CG1 VAL A 47 90.900 -0.707 5.062 1.00 0.00 C ATOM 453 CG2 VAL A 47 90.651 -0.297 2.620 1.00 0.00 C ATOM 0 H VAL A 47 93.616 0.516 2.402 1.00 0.00 H new ATOM 0 HA VAL A 47 91.522 1.816 3.993 1.00 0.00 H new ATOM 0 HB VAL A 47 92.423 -1.069 3.577 1.00 0.00 H new ATOM 0 HG11 VAL A 47 90.441 -1.689 4.943 1.00 0.00 H new ATOM 0 HG12 VAL A 47 91.602 -0.733 5.896 1.00 0.00 H new ATOM 0 HG13 VAL A 47 90.126 0.033 5.263 1.00 0.00 H new ATOM 0 HG21 VAL A 47 90.191 -1.279 2.505 1.00 0.00 H new ATOM 0 HG22 VAL A 47 89.878 0.444 2.826 1.00 0.00 H new ATOM 0 HG23 VAL A 47 91.173 -0.031 1.701 1.00 0.00 H new ATOM 463 N TYR A 48 92.712 1.983 6.129 1.00 0.00 N ATOM 464 CA TYR A 48 93.374 2.103 7.423 1.00 0.00 C ATOM 465 C TYR A 48 92.350 2.013 8.554 1.00 0.00 C ATOM 466 O TYR A 48 91.406 2.801 8.617 1.00 0.00 O ATOM 467 CB TYR A 48 94.124 3.432 7.508 1.00 0.00 C ATOM 468 CG TYR A 48 95.587 3.200 7.213 1.00 0.00 C ATOM 469 CD1 TYR A 48 95.983 2.753 5.947 1.00 0.00 C ATOM 470 CD2 TYR A 48 96.550 3.428 8.207 1.00 0.00 C ATOM 471 CE1 TYR A 48 97.338 2.532 5.673 1.00 0.00 C ATOM 472 CE2 TYR A 48 97.905 3.208 7.932 1.00 0.00 C ATOM 473 CZ TYR A 48 98.298 2.760 6.666 1.00 0.00 C ATOM 474 OH TYR A 48 99.635 2.541 6.397 1.00 0.00 O ATOM 0 H TYR A 48 91.953 2.647 5.980 1.00 0.00 H new ATOM 0 HA TYR A 48 94.086 1.284 7.526 1.00 0.00 H new ATOM 0 HB2 TYR A 48 93.706 4.144 6.797 1.00 0.00 H new ATOM 0 HB3 TYR A 48 94.006 3.866 8.501 1.00 0.00 H new ATOM 0 HD1 TYR A 48 95.242 2.578 5.181 1.00 0.00 H new ATOM 0 HD2 TYR A 48 96.246 3.773 9.184 1.00 0.00 H new ATOM 0 HE1 TYR A 48 97.642 2.186 4.696 1.00 0.00 H new ATOM 0 HE2 TYR A 48 98.647 3.384 8.697 1.00 0.00 H new ATOM 0 HH TYR A 48 100.167 2.748 7.193 1.00 0.00 H new ATOM 484 N ILE A 49 92.551 1.048 9.448 1.00 0.00 N ATOM 485 CA ILE A 49 91.653 0.854 10.585 1.00 0.00 C ATOM 486 C ILE A 49 92.435 0.737 11.886 1.00 0.00 C ATOM 487 O ILE A 49 93.410 -0.013 11.976 1.00 0.00 O ATOM 488 CB ILE A 49 90.780 -0.391 10.377 1.00 0.00 C ATOM 489 CG1 ILE A 49 89.704 -0.090 9.327 1.00 0.00 C ATOM 490 CG2 ILE A 49 90.133 -0.821 11.701 1.00 0.00 C ATOM 491 CD1 ILE A 49 88.989 -1.385 8.950 1.00 0.00 C ATOM 0 H ILE A 49 93.328 0.388 9.408 1.00 0.00 H new ATOM 0 HA ILE A 49 91.006 1.728 10.653 1.00 0.00 H new ATOM 0 HB ILE A 49 91.405 -1.211 10.024 1.00 0.00 H new ATOM 0 HG12 ILE A 49 88.989 0.633 9.720 1.00 0.00 H new ATOM 0 HG13 ILE A 49 90.158 0.359 8.443 1.00 0.00 H new ATOM 0 HG21 ILE A 49 89.518 -1.705 11.535 1.00 0.00 H new ATOM 0 HG22 ILE A 49 90.911 -1.052 12.428 1.00 0.00 H new ATOM 0 HG23 ILE A 49 89.510 -0.011 12.081 1.00 0.00 H new ATOM 0 HD11 ILE A 49 88.223 -1.174 8.204 1.00 0.00 H new ATOM 0 HD12 ILE A 49 89.710 -2.093 8.540 1.00 0.00 H new ATOM 0 HD13 ILE A 49 88.523 -1.815 9.837 1.00 0.00 H new ATOM 503 N GLN A 50 91.990 1.476 12.900 1.00 0.00 N ATOM 504 CA GLN A 50 92.650 1.436 14.202 1.00 0.00 C ATOM 505 C GLN A 50 91.618 1.516 15.327 1.00 0.00 C ATOM 506 O GLN A 50 90.565 2.135 15.171 1.00 0.00 O ATOM 507 CB GLN A 50 93.639 2.599 14.331 1.00 0.00 C ATOM 508 CG GLN A 50 92.868 3.918 14.410 1.00 0.00 C ATOM 509 CD GLN A 50 92.454 4.192 15.851 1.00 0.00 C ATOM 510 OE1 GLN A 50 91.191 4.336 16.139 1.00 0.00 O flip ATOM 511 NE2 GLN A 50 93.302 4.242 16.743 1.00 0.00 N flip ATOM 0 H GLN A 50 91.186 2.102 12.847 1.00 0.00 H new ATOM 0 HA GLN A 50 93.191 0.493 14.282 1.00 0.00 H new ATOM 0 HB2 GLN A 50 94.253 2.471 15.222 1.00 0.00 H new ATOM 0 HB3 GLN A 50 94.316 2.612 13.476 1.00 0.00 H new ATOM 0 HG2 GLN A 50 93.488 4.734 14.039 1.00 0.00 H new ATOM 0 HG3 GLN A 50 91.986 3.872 13.772 1.00 0.00 H new ATOM 0 HE21 GLN A 50 94.290 4.129 16.515 1.00 0.00 H new ATOM 0 HE22 GLN A 50 93.017 4.396 17.710 1.00 0.00 H new ATOM 520 N GLN A 51 91.930 0.889 16.457 1.00 0.00 N ATOM 521 CA GLN A 51 91.030 0.894 17.601 1.00 0.00 C ATOM 522 C GLN A 51 91.551 1.824 18.690 1.00 0.00 C ATOM 523 O GLN A 51 92.722 1.764 19.062 1.00 0.00 O ATOM 524 CB GLN A 51 90.885 -0.519 18.157 1.00 0.00 C ATOM 525 CG GLN A 51 89.904 -0.508 19.333 1.00 0.00 C ATOM 526 CD GLN A 51 90.649 -0.729 20.646 1.00 0.00 C ATOM 527 OE1 GLN A 51 91.546 -1.569 20.719 1.00 0.00 O ATOM 528 NE2 GLN A 51 90.327 -0.024 21.696 1.00 0.00 N ATOM 0 H GLN A 51 92.797 0.373 16.603 1.00 0.00 H new ATOM 0 HA GLN A 51 90.056 1.254 17.271 1.00 0.00 H new ATOM 0 HB2 GLN A 51 90.528 -1.193 17.378 1.00 0.00 H new ATOM 0 HB3 GLN A 51 91.855 -0.894 18.483 1.00 0.00 H new ATOM 0 HG2 GLN A 51 89.373 0.444 19.364 1.00 0.00 H new ATOM 0 HG3 GLN A 51 89.154 -1.287 19.197 1.00 0.00 H new ATOM 0 HE21 GLN A 51 89.584 0.672 21.635 1.00 0.00 H new ATOM 0 HE22 GLN A 51 90.819 -0.169 22.578 1.00 0.00 H new ATOM 537 N THR A 52 90.672 2.684 19.194 1.00 0.00 N ATOM 538 CA THR A 52 91.046 3.631 20.238 1.00 0.00 C ATOM 539 C THR A 52 90.475 3.186 21.579 1.00 0.00 C ATOM 540 O THR A 52 89.467 2.484 21.639 1.00 0.00 O ATOM 541 CB THR A 52 90.523 5.032 19.894 1.00 0.00 C ATOM 542 OG1 THR A 52 90.853 5.338 18.548 1.00 0.00 O ATOM 543 CG2 THR A 52 91.158 6.084 20.811 1.00 0.00 C ATOM 0 H THR A 52 89.698 2.745 18.897 1.00 0.00 H new ATOM 0 HA THR A 52 92.133 3.663 20.305 1.00 0.00 H new ATOM 0 HB THR A 52 89.442 5.044 20.032 1.00 0.00 H new ATOM 0 HG1 THR A 52 90.801 4.524 18.005 1.00 0.00 H new ATOM 0 HG21 THR A 52 90.775 7.071 20.552 1.00 0.00 H new ATOM 0 HG22 THR A 52 90.910 5.859 21.848 1.00 0.00 H new ATOM 0 HG23 THR A 52 92.241 6.070 20.685 1.00 0.00 H new ATOM 551 N ASP A 53 91.132 3.597 22.653 1.00 0.00 N ATOM 552 CA ASP A 53 90.691 3.236 23.995 1.00 0.00 C ATOM 553 C ASP A 53 89.310 3.816 24.275 1.00 0.00 C ATOM 554 O ASP A 53 88.668 3.467 25.265 1.00 0.00 O ATOM 555 CB ASP A 53 91.689 3.754 25.034 1.00 0.00 C ATOM 556 CG ASP A 53 92.977 2.940 24.979 1.00 0.00 C ATOM 557 OD1 ASP A 53 92.966 1.888 24.363 1.00 0.00 O ATOM 558 OD2 ASP A 53 93.958 3.382 25.556 1.00 0.00 O ATOM 0 H ASP A 53 91.969 4.179 22.624 1.00 0.00 H new ATOM 0 HA ASP A 53 90.637 2.149 24.060 1.00 0.00 H new ATOM 0 HB2 ASP A 53 91.907 4.806 24.847 1.00 0.00 H new ATOM 0 HB3 ASP A 53 91.253 3.691 26.031 1.00 0.00 H new ATOM 563 N ASP A 54 88.860 4.700 23.395 1.00 0.00 N ATOM 564 CA ASP A 54 87.553 5.322 23.551 1.00 0.00 C ATOM 565 C ASP A 54 86.441 4.330 23.214 1.00 0.00 C ATOM 566 O ASP A 54 85.261 4.673 23.261 1.00 0.00 O ATOM 567 CB ASP A 54 87.444 6.551 22.648 1.00 0.00 C ATOM 568 CG ASP A 54 88.311 7.680 23.194 1.00 0.00 C ATOM 569 OD1 ASP A 54 88.737 7.579 24.334 1.00 0.00 O ATOM 570 OD2 ASP A 54 88.537 8.632 22.466 1.00 0.00 O ATOM 0 H ASP A 54 89.378 5.001 22.570 1.00 0.00 H new ATOM 0 HA ASP A 54 87.441 5.631 24.590 1.00 0.00 H new ATOM 0 HB2 ASP A 54 87.759 6.297 21.636 1.00 0.00 H new ATOM 0 HB3 ASP A 54 86.405 6.876 22.587 1.00 0.00 H new ATOM 575 N SER A 55 86.833 3.101 22.875 1.00 0.00 N ATOM 576 CA SER A 55 85.876 2.048 22.532 1.00 0.00 C ATOM 577 C SER A 55 85.242 2.320 21.175 1.00 0.00 C ATOM 578 O SER A 55 84.020 2.272 21.025 1.00 0.00 O ATOM 579 CB SER A 55 84.783 1.958 23.597 1.00 0.00 C ATOM 580 OG SER A 55 85.368 2.139 24.879 1.00 0.00 O ATOM 0 H SER A 55 87.810 2.810 22.831 1.00 0.00 H new ATOM 0 HA SER A 55 86.415 1.101 22.487 1.00 0.00 H new ATOM 0 HB2 SER A 55 84.022 2.718 23.420 1.00 0.00 H new ATOM 0 HB3 SER A 55 84.285 0.990 23.544 1.00 0.00 H new ATOM 0 HG SER A 55 84.672 2.084 25.567 1.00 0.00 H new ATOM 586 N LEU A 56 86.086 2.613 20.191 1.00 0.00 N ATOM 587 CA LEU A 56 85.605 2.898 18.844 1.00 0.00 C ATOM 588 C LEU A 56 86.722 2.741 17.820 1.00 0.00 C ATOM 589 O LEU A 56 87.870 3.096 18.080 1.00 0.00 O ATOM 590 CB LEU A 56 85.044 4.327 18.781 1.00 0.00 C ATOM 591 CG LEU A 56 86.103 5.339 19.262 1.00 0.00 C ATOM 592 CD1 LEU A 56 86.874 5.954 18.081 1.00 0.00 C ATOM 593 CD2 LEU A 56 85.403 6.456 20.036 1.00 0.00 C ATOM 0 H LEU A 56 87.099 2.659 20.299 1.00 0.00 H new ATOM 0 HA LEU A 56 84.816 2.184 18.606 1.00 0.00 H new ATOM 0 HB2 LEU A 56 84.743 4.562 17.760 1.00 0.00 H new ATOM 0 HB3 LEU A 56 84.151 4.402 19.401 1.00 0.00 H new ATOM 0 HG LEU A 56 86.816 4.814 19.897 1.00 0.00 H new ATOM 0 HD11 LEU A 56 87.612 6.662 18.458 1.00 0.00 H new ATOM 0 HD12 LEU A 56 87.380 5.164 17.526 1.00 0.00 H new ATOM 0 HD13 LEU A 56 86.177 6.472 17.422 1.00 0.00 H new ATOM 0 HD21 LEU A 56 86.143 7.178 20.381 1.00 0.00 H new ATOM 0 HD22 LEU A 56 84.685 6.955 19.385 1.00 0.00 H new ATOM 0 HD23 LEU A 56 84.881 6.032 20.894 1.00 0.00 H new ATOM 605 N ILE A 57 86.368 2.218 16.650 1.00 0.00 N ATOM 606 CA ILE A 57 87.336 2.026 15.579 1.00 0.00 C ATOM 607 C ILE A 57 87.251 3.165 14.568 1.00 0.00 C ATOM 608 O ILE A 57 86.167 3.553 14.136 1.00 0.00 O ATOM 609 CB ILE A 57 87.098 0.680 14.881 1.00 0.00 C ATOM 610 CG1 ILE A 57 87.867 -0.419 15.624 1.00 0.00 C ATOM 611 CG2 ILE A 57 87.587 0.753 13.435 1.00 0.00 C ATOM 612 CD1 ILE A 57 87.367 -0.506 17.065 1.00 0.00 C ATOM 0 H ILE A 57 85.420 1.921 16.421 1.00 0.00 H new ATOM 0 HA ILE A 57 88.335 2.024 16.015 1.00 0.00 H new ATOM 0 HB ILE A 57 86.032 0.453 14.889 1.00 0.00 H new ATOM 0 HG12 ILE A 57 87.730 -1.377 15.122 1.00 0.00 H new ATOM 0 HG13 ILE A 57 88.935 -0.202 15.611 1.00 0.00 H new ATOM 0 HG21 ILE A 57 87.416 -0.205 12.944 1.00 0.00 H new ATOM 0 HG22 ILE A 57 87.042 1.535 12.906 1.00 0.00 H new ATOM 0 HG23 ILE A 57 88.653 0.982 13.422 1.00 0.00 H new ATOM 0 HD11 ILE A 57 87.914 -1.287 17.593 1.00 0.00 H new ATOM 0 HD12 ILE A 57 87.527 0.450 17.564 1.00 0.00 H new ATOM 0 HD13 ILE A 57 86.303 -0.743 17.067 1.00 0.00 H new ATOM 624 N HIS A 58 88.412 3.687 14.187 1.00 0.00 N ATOM 625 CA HIS A 58 88.466 4.770 13.218 1.00 0.00 C ATOM 626 C HIS A 58 88.771 4.212 11.834 1.00 0.00 C ATOM 627 O HIS A 58 89.789 3.539 11.635 1.00 0.00 O ATOM 628 CB HIS A 58 89.548 5.780 13.605 1.00 0.00 C ATOM 629 CG HIS A 58 89.136 7.157 13.164 1.00 0.00 C ATOM 630 ND1 HIS A 58 89.653 8.302 13.748 1.00 0.00 N ATOM 631 CD2 HIS A 58 88.257 7.590 12.202 1.00 0.00 C ATOM 632 CE1 HIS A 58 89.088 9.359 13.137 1.00 0.00 C ATOM 633 NE2 HIS A 58 88.229 8.981 12.187 1.00 0.00 N ATOM 0 H HIS A 58 89.321 3.379 14.533 1.00 0.00 H new ATOM 0 HA HIS A 58 87.498 5.271 13.206 1.00 0.00 H new ATOM 0 HB2 HIS A 58 89.705 5.765 14.684 1.00 0.00 H new ATOM 0 HB3 HIS A 58 90.496 5.508 13.141 1.00 0.00 H new ATOM 0 HD2 HIS A 58 87.676 6.949 11.556 1.00 0.00 H new ATOM 0 HE1 HIS A 58 89.303 10.388 13.385 1.00 0.00 H new ATOM 0 HE2 HIS A 58 87.672 9.583 11.581 1.00 0.00 H new ATOM 641 N PHE A 59 87.882 4.498 10.884 1.00 0.00 N ATOM 642 CA PHE A 59 88.054 4.033 9.512 1.00 0.00 C ATOM 643 C PHE A 59 88.505 5.179 8.619 1.00 0.00 C ATOM 644 O PHE A 59 87.790 6.165 8.460 1.00 0.00 O ATOM 645 CB PHE A 59 86.734 3.470 8.981 1.00 0.00 C ATOM 646 CG PHE A 59 86.846 3.242 7.491 1.00 0.00 C ATOM 647 CD1 PHE A 59 87.538 2.131 6.996 1.00 0.00 C ATOM 648 CD2 PHE A 59 86.256 4.151 6.602 1.00 0.00 C ATOM 649 CE1 PHE A 59 87.640 1.928 5.614 1.00 0.00 C ATOM 650 CE2 PHE A 59 86.357 3.948 5.221 1.00 0.00 C ATOM 651 CZ PHE A 59 87.049 2.837 4.727 1.00 0.00 C ATOM 0 H PHE A 59 87.038 5.048 11.040 1.00 0.00 H new ATOM 0 HA PHE A 59 88.814 3.251 9.505 1.00 0.00 H new ATOM 0 HB2 PHE A 59 86.496 2.534 9.486 1.00 0.00 H new ATOM 0 HB3 PHE A 59 85.919 4.162 9.193 1.00 0.00 H new ATOM 0 HD1 PHE A 59 87.993 1.430 7.680 1.00 0.00 H new ATOM 0 HD2 PHE A 59 85.723 5.009 6.983 1.00 0.00 H new ATOM 0 HE1 PHE A 59 88.174 1.071 5.232 1.00 0.00 H new ATOM 0 HE2 PHE A 59 85.901 4.649 4.537 1.00 0.00 H new ATOM 0 HZ PHE A 59 87.128 2.680 3.661 1.00 0.00 H new ATOM 661 N CYS A 60 89.693 5.036 8.038 1.00 0.00 N ATOM 662 CA CYS A 60 90.234 6.063 7.155 1.00 0.00 C ATOM 663 C CYS A 60 90.530 5.475 5.779 1.00 0.00 C ATOM 664 O CYS A 60 91.228 4.469 5.664 1.00 0.00 O ATOM 665 CB CYS A 60 91.523 6.632 7.756 1.00 0.00 C ATOM 666 SG CYS A 60 91.161 7.366 9.370 1.00 0.00 S ATOM 0 H CYS A 60 90.296 4.223 8.162 1.00 0.00 H new ATOM 0 HA CYS A 60 89.497 6.859 7.049 1.00 0.00 H new ATOM 0 HB2 CYS A 60 92.267 5.843 7.862 1.00 0.00 H new ATOM 0 HB3 CYS A 60 91.947 7.383 7.090 1.00 0.00 H new ATOM 0 HG CYS A 60 92.254 7.848 9.883 1.00 0.00 H new ATOM 672 N TRP A 61 90.006 6.123 4.739 1.00 0.00 N ATOM 673 CA TRP A 61 90.235 5.663 3.374 1.00 0.00 C ATOM 674 C TRP A 61 90.964 6.742 2.584 1.00 0.00 C ATOM 675 O TRP A 61 90.400 7.794 2.283 1.00 0.00 O ATOM 676 CB TRP A 61 88.900 5.346 2.701 1.00 0.00 C ATOM 677 CG TRP A 61 89.153 4.645 1.406 1.00 0.00 C ATOM 678 CD1 TRP A 61 89.791 3.459 1.277 1.00 0.00 C ATOM 679 CD2 TRP A 61 88.782 5.060 0.061 1.00 0.00 C ATOM 680 NE1 TRP A 61 89.837 3.118 -0.062 1.00 0.00 N ATOM 681 CE2 TRP A 61 89.229 4.076 -0.853 1.00 0.00 C ATOM 682 CE3 TRP A 61 88.110 6.184 -0.451 1.00 0.00 C ATOM 683 CZ2 TRP A 61 89.015 4.204 -2.226 1.00 0.00 C ATOM 684 CZ3 TRP A 61 87.893 6.315 -1.833 1.00 0.00 C ATOM 685 CH2 TRP A 61 88.345 5.327 -2.718 1.00 0.00 C ATOM 0 H TRP A 61 89.426 6.959 4.816 1.00 0.00 H new ATOM 0 HA TRP A 61 90.845 4.760 3.400 1.00 0.00 H new ATOM 0 HB2 TRP A 61 88.291 4.720 3.353 1.00 0.00 H new ATOM 0 HB3 TRP A 61 88.340 6.265 2.527 1.00 0.00 H new ATOM 0 HD1 TRP A 61 90.198 2.874 2.088 1.00 0.00 H new ATOM 0 HE1 TRP A 61 90.266 2.266 -0.422 1.00 0.00 H new ATOM 0 HE3 TRP A 61 87.758 6.952 0.222 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 89.365 3.440 -2.904 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 87.375 7.182 -2.215 1.00 0.00 H new ATOM 0 HH2 TRP A 61 88.176 5.434 -3.779 1.00 0.00 H new ATOM 696 N LYS A 62 92.225 6.472 2.260 1.00 0.00 N ATOM 697 CA LYS A 62 93.029 7.433 1.514 1.00 0.00 C ATOM 698 C LYS A 62 93.281 6.928 0.099 1.00 0.00 C ATOM 699 O LYS A 62 93.269 5.728 -0.154 1.00 0.00 O ATOM 700 CB LYS A 62 94.378 7.644 2.208 1.00 0.00 C ATOM 701 CG LYS A 62 94.160 7.852 3.710 1.00 0.00 C ATOM 702 CD LYS A 62 95.454 8.340 4.374 1.00 0.00 C ATOM 703 CE LYS A 62 96.486 7.209 4.423 1.00 0.00 C ATOM 704 NZ LYS A 62 97.668 7.657 5.215 1.00 0.00 N ATOM 0 H LYS A 62 92.708 5.606 2.499 1.00 0.00 H new ATOM 0 HA LYS A 62 92.482 8.375 1.474 1.00 0.00 H new ATOM 0 HB2 LYS A 62 95.023 6.781 2.041 1.00 0.00 H new ATOM 0 HB3 LYS A 62 94.886 8.509 1.781 1.00 0.00 H new ATOM 0 HG2 LYS A 62 93.364 8.579 3.871 1.00 0.00 H new ATOM 0 HG3 LYS A 62 93.837 6.918 4.170 1.00 0.00 H new ATOM 0 HD2 LYS A 62 95.858 9.187 3.819 1.00 0.00 H new ATOM 0 HD3 LYS A 62 95.242 8.692 5.384 1.00 0.00 H new ATOM 0 HE2 LYS A 62 96.047 6.319 4.874 1.00 0.00 H new ATOM 0 HE3 LYS A 62 96.792 6.936 3.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 98.372 6.892 5.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 98.090 8.495 4.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 97.368 7.897 6.181 1.00 0.00 H new ATOM 718 N ASP A 63 93.512 7.857 -0.815 1.00 0.00 N ATOM 719 CA ASP A 63 93.779 7.505 -2.204 1.00 0.00 C ATOM 720 C ASP A 63 95.268 7.283 -2.427 1.00 0.00 C ATOM 721 O ASP A 63 95.991 8.208 -2.766 1.00 0.00 O ATOM 722 CB ASP A 63 93.291 8.616 -3.132 1.00 0.00 C ATOM 723 CG ASP A 63 91.901 9.074 -2.710 1.00 0.00 C ATOM 724 OD1 ASP A 63 91.823 9.988 -1.908 1.00 0.00 O ATOM 725 OD2 ASP A 63 90.938 8.508 -3.198 1.00 0.00 O ATOM 0 H ASP A 63 93.520 8.859 -0.623 1.00 0.00 H new ATOM 0 HA ASP A 63 93.245 6.581 -2.427 1.00 0.00 H new ATOM 0 HB2 ASP A 63 93.984 9.457 -3.103 1.00 0.00 H new ATOM 0 HB3 ASP A 63 93.268 8.258 -4.161 1.00 0.00 H new ATOM 730 N ARG A 64 95.708 6.045 -2.241 1.00 0.00 N ATOM 731 CA ARG A 64 97.114 5.694 -2.419 1.00 0.00 C ATOM 732 C ARG A 64 97.704 6.431 -3.614 1.00 0.00 C ATOM 733 O ARG A 64 98.896 6.737 -3.640 1.00 0.00 O ATOM 734 CB ARG A 64 97.256 4.183 -2.624 1.00 0.00 C ATOM 735 CG ARG A 64 98.733 3.832 -2.802 1.00 0.00 C ATOM 736 CD ARG A 64 98.917 2.314 -2.737 1.00 0.00 C ATOM 737 NE ARG A 64 100.312 1.968 -2.991 1.00 0.00 N ATOM 738 CZ ARG A 64 101.233 2.095 -2.040 1.00 0.00 C ATOM 739 NH1 ARG A 64 102.472 1.768 -2.284 1.00 0.00 N ATOM 740 NH2 ARG A 64 100.898 2.553 -0.865 1.00 0.00 N ATOM 0 H ARG A 64 95.111 5.265 -1.966 1.00 0.00 H new ATOM 0 HA ARG A 64 97.658 5.989 -1.522 1.00 0.00 H new ATOM 0 HB2 ARG A 64 96.844 3.648 -1.768 1.00 0.00 H new ATOM 0 HB3 ARG A 64 96.688 3.869 -3.500 1.00 0.00 H new ATOM 0 HG2 ARG A 64 99.093 4.210 -3.759 1.00 0.00 H new ATOM 0 HG3 ARG A 64 99.327 4.313 -2.025 1.00 0.00 H new ATOM 0 HD2 ARG A 64 98.615 1.945 -1.757 1.00 0.00 H new ATOM 0 HD3 ARG A 64 98.274 1.830 -3.472 1.00 0.00 H new ATOM 0 HE ARG A 64 100.585 1.624 -3.912 1.00 0.00 H new ATOM 0 HH11 ARG A 64 102.735 1.415 -3.204 1.00 0.00 H new ATOM 0 HH12 ARG A 64 103.178 1.865 -1.555 1.00 0.00 H new ATOM 0 HH21 ARG A 64 99.930 2.813 -0.676 1.00 0.00 H new ATOM 0 HH22 ARG A 64 101.604 2.651 -0.135 1.00 0.00 H new ATOM 754 N THR A 65 96.860 6.731 -4.593 1.00 0.00 N ATOM 755 CA THR A 65 97.312 7.448 -5.775 1.00 0.00 C ATOM 756 C THR A 65 97.857 8.821 -5.381 1.00 0.00 C ATOM 757 O THR A 65 98.915 9.238 -5.855 1.00 0.00 O ATOM 758 CB THR A 65 96.151 7.617 -6.757 1.00 0.00 C ATOM 759 OG1 THR A 65 95.690 6.336 -7.167 1.00 0.00 O ATOM 760 CG2 THR A 65 96.620 8.409 -7.977 1.00 0.00 C ATOM 0 H THR A 65 95.869 6.491 -4.592 1.00 0.00 H new ATOM 0 HA THR A 65 98.106 6.874 -6.252 1.00 0.00 H new ATOM 0 HB THR A 65 95.339 8.157 -6.270 1.00 0.00 H new ATOM 0 HG1 THR A 65 94.945 6.442 -7.795 1.00 0.00 H new ATOM 0 HG21 THR A 65 95.791 8.528 -8.675 1.00 0.00 H new ATOM 0 HG22 THR A 65 96.971 9.391 -7.660 1.00 0.00 H new ATOM 0 HG23 THR A 65 97.433 7.874 -8.468 1.00 0.00 H new ATOM 768 N SER A 66 97.128 9.516 -4.507 1.00 0.00 N ATOM 769 CA SER A 66 97.546 10.838 -4.050 1.00 0.00 C ATOM 770 C SER A 66 98.008 10.796 -2.597 1.00 0.00 C ATOM 771 O SER A 66 98.662 11.722 -2.117 1.00 0.00 O ATOM 772 CB SER A 66 96.392 11.833 -4.202 1.00 0.00 C ATOM 773 OG SER A 66 95.312 11.433 -3.371 1.00 0.00 O ATOM 0 H SER A 66 96.251 9.186 -4.104 1.00 0.00 H new ATOM 0 HA SER A 66 98.386 11.161 -4.666 1.00 0.00 H new ATOM 0 HB2 SER A 66 96.723 12.835 -3.930 1.00 0.00 H new ATOM 0 HB3 SER A 66 96.069 11.876 -5.242 1.00 0.00 H new ATOM 0 HG SER A 66 94.573 12.070 -3.466 1.00 0.00 H new ATOM 779 N GLY A 67 97.663 9.721 -1.899 1.00 0.00 N ATOM 780 CA GLY A 67 98.048 9.577 -0.504 1.00 0.00 C ATOM 781 C GLY A 67 97.253 10.537 0.363 1.00 0.00 C ATOM 782 O GLY A 67 97.590 10.771 1.525 1.00 0.00 O ATOM 0 H GLY A 67 97.121 8.942 -2.274 1.00 0.00 H new ATOM 0 HA2 GLY A 67 97.876 8.552 -0.176 1.00 0.00 H new ATOM 0 HA3 GLY A 67 99.114 9.773 -0.392 1.00 0.00 H new ATOM 786 N ASN A 68 96.196 11.099 -0.214 1.00 0.00 N ATOM 787 CA ASN A 68 95.356 12.047 0.512 1.00 0.00 C ATOM 788 C ASN A 68 94.109 11.367 1.066 1.00 0.00 C ATOM 789 O ASN A 68 93.673 10.335 0.556 1.00 0.00 O ATOM 790 CB ASN A 68 94.946 13.200 -0.405 1.00 0.00 C ATOM 791 CG ASN A 68 96.163 14.047 -0.760 1.00 0.00 C ATOM 792 OD1 ASN A 68 96.839 13.779 -1.752 1.00 0.00 O ATOM 793 ND2 ASN A 68 96.474 15.072 -0.013 1.00 0.00 N ATOM 0 H ASN A 68 95.902 10.917 -1.174 1.00 0.00 H new ATOM 0 HA ASN A 68 95.938 12.436 1.348 1.00 0.00 H new ATOM 0 HB2 ASN A 68 94.489 12.807 -1.313 1.00 0.00 H new ATOM 0 HB3 ASN A 68 94.195 13.817 0.088 1.00 0.00 H new ATOM 0 HD21 ASN A 68 97.279 15.652 -0.252 1.00 0.00 H new ATOM 0 HD22 ASN A 68 95.912 15.293 0.809 1.00 0.00 H new ATOM 800 N VAL A 69 93.535 11.957 2.113 1.00 0.00 N ATOM 801 CA VAL A 69 92.336 11.402 2.725 1.00 0.00 C ATOM 802 C VAL A 69 91.096 11.777 1.920 1.00 0.00 C ATOM 803 O VAL A 69 90.840 12.953 1.663 1.00 0.00 O ATOM 804 CB VAL A 69 92.191 11.912 4.160 1.00 0.00 C ATOM 805 CG1 VAL A 69 93.210 11.212 5.061 1.00 0.00 C ATOM 806 CG2 VAL A 69 92.437 13.422 4.194 1.00 0.00 C ATOM 0 H VAL A 69 93.879 12.812 2.550 1.00 0.00 H new ATOM 0 HA VAL A 69 92.431 10.316 2.736 1.00 0.00 H new ATOM 0 HB VAL A 69 91.184 11.698 4.517 1.00 0.00 H new ATOM 0 HG11 VAL A 69 93.104 11.577 6.082 1.00 0.00 H new ATOM 0 HG12 VAL A 69 93.035 10.136 5.041 1.00 0.00 H new ATOM 0 HG13 VAL A 69 94.218 11.423 4.703 1.00 0.00 H new ATOM 0 HG21 VAL A 69 92.333 13.785 5.217 1.00 0.00 H new ATOM 0 HG22 VAL A 69 93.443 13.635 3.834 1.00 0.00 H new ATOM 0 HG23 VAL A 69 91.709 13.924 3.556 1.00 0.00 H new ATOM 816 N GLU A 70 90.331 10.763 1.533 1.00 0.00 N ATOM 817 CA GLU A 70 89.113 10.979 0.762 1.00 0.00 C ATOM 818 C GLU A 70 87.878 10.769 1.632 1.00 0.00 C ATOM 819 O GLU A 70 86.865 11.447 1.460 1.00 0.00 O ATOM 820 CB GLU A 70 89.068 10.022 -0.435 1.00 0.00 C ATOM 821 CG GLU A 70 89.187 10.818 -1.737 1.00 0.00 C ATOM 822 CD GLU A 70 87.923 11.642 -1.958 1.00 0.00 C ATOM 823 OE1 GLU A 70 86.905 11.292 -1.384 1.00 0.00 O ATOM 824 OE2 GLU A 70 87.992 12.611 -2.695 1.00 0.00 O ATOM 0 H GLU A 70 90.532 9.785 1.740 1.00 0.00 H new ATOM 0 HA GLU A 70 89.117 12.008 0.402 1.00 0.00 H new ATOM 0 HB2 GLU A 70 89.880 9.298 -0.365 1.00 0.00 H new ATOM 0 HB3 GLU A 70 88.136 9.457 -0.427 1.00 0.00 H new ATOM 0 HG2 GLU A 70 90.057 11.474 -1.694 1.00 0.00 H new ATOM 0 HG3 GLU A 70 89.341 10.139 -2.576 1.00 0.00 H new ATOM 831 N ASP A 71 87.965 9.825 2.566 1.00 0.00 N ATOM 832 CA ASP A 71 86.841 9.541 3.451 1.00 0.00 C ATOM 833 C ASP A 71 87.340 9.008 4.796 1.00 0.00 C ATOM 834 O ASP A 71 88.181 8.113 4.844 1.00 0.00 O ATOM 835 CB ASP A 71 85.916 8.514 2.794 1.00 0.00 C ATOM 836 CG ASP A 71 84.612 8.414 3.577 1.00 0.00 C ATOM 837 OD1 ASP A 71 84.584 8.876 4.705 1.00 0.00 O ATOM 838 OD2 ASP A 71 83.659 7.879 3.034 1.00 0.00 O ATOM 0 H ASP A 71 88.792 9.250 2.728 1.00 0.00 H new ATOM 0 HA ASP A 71 86.290 10.465 3.627 1.00 0.00 H new ATOM 0 HB2 ASP A 71 85.710 8.804 1.764 1.00 0.00 H new ATOM 0 HB3 ASP A 71 86.405 7.541 2.760 1.00 0.00 H new ATOM 843 N ASP A 72 86.815 9.561 5.886 1.00 0.00 N ATOM 844 CA ASP A 72 87.216 9.132 7.222 1.00 0.00 C ATOM 845 C ASP A 72 86.062 9.342 8.194 1.00 0.00 C ATOM 846 O ASP A 72 85.555 10.452 8.337 1.00 0.00 O ATOM 847 CB ASP A 72 88.454 9.920 7.666 1.00 0.00 C ATOM 848 CG ASP A 72 88.184 11.419 7.582 1.00 0.00 C ATOM 849 OD1 ASP A 72 87.106 11.785 7.143 1.00 0.00 O ATOM 850 OD2 ASP A 72 89.061 12.180 7.955 1.00 0.00 O ATOM 0 H ASP A 72 86.115 10.303 5.871 1.00 0.00 H new ATOM 0 HA ASP A 72 87.468 8.072 7.208 1.00 0.00 H new ATOM 0 HB2 ASP A 72 88.720 9.648 8.687 1.00 0.00 H new ATOM 0 HB3 ASP A 72 89.304 9.661 7.035 1.00 0.00 H new ATOM 855 N LEU A 73 85.641 8.267 8.852 1.00 0.00 N ATOM 856 CA LEU A 73 84.539 8.347 9.785 1.00 0.00 C ATOM 857 C LEU A 73 84.722 7.324 10.899 1.00 0.00 C ATOM 858 O LEU A 73 85.156 6.196 10.658 1.00 0.00 O ATOM 859 CB LEU A 73 83.219 8.074 9.051 1.00 0.00 C ATOM 860 CG LEU A 73 82.051 8.542 9.921 1.00 0.00 C ATOM 861 CD1 LEU A 73 81.829 10.053 9.762 1.00 0.00 C ATOM 862 CD2 LEU A 73 80.780 7.793 9.524 1.00 0.00 C ATOM 0 H LEU A 73 86.048 7.337 8.753 1.00 0.00 H new ATOM 0 HA LEU A 73 84.515 9.347 10.218 1.00 0.00 H new ATOM 0 HB2 LEU A 73 83.207 8.596 8.094 1.00 0.00 H new ATOM 0 HB3 LEU A 73 83.123 7.010 8.835 1.00 0.00 H new ATOM 0 HG LEU A 73 82.289 8.332 10.964 1.00 0.00 H new ATOM 0 HD11 LEU A 73 80.994 10.366 10.389 1.00 0.00 H new ATOM 0 HD12 LEU A 73 82.730 10.587 10.064 1.00 0.00 H new ATOM 0 HD13 LEU A 73 81.605 10.280 8.720 1.00 0.00 H new ATOM 0 HD21 LEU A 73 79.950 8.129 10.146 1.00 0.00 H new ATOM 0 HD22 LEU A 73 80.552 7.992 8.477 1.00 0.00 H new ATOM 0 HD23 LEU A 73 80.929 6.723 9.666 1.00 0.00 H new ATOM 874 N ILE A 74 84.378 7.722 12.113 1.00 0.00 N ATOM 875 CA ILE A 74 84.490 6.835 13.260 1.00 0.00 C ATOM 876 C ILE A 74 83.379 5.795 13.244 1.00 0.00 C ATOM 877 O ILE A 74 82.228 6.113 12.950 1.00 0.00 O ATOM 878 CB ILE A 74 84.406 7.644 14.547 1.00 0.00 C ATOM 879 CG1 ILE A 74 85.699 8.438 14.743 1.00 0.00 C ATOM 880 CG2 ILE A 74 84.182 6.708 15.739 1.00 0.00 C ATOM 881 CD1 ILE A 74 85.506 9.454 15.870 1.00 0.00 C ATOM 0 H ILE A 74 84.019 8.652 12.330 1.00 0.00 H new ATOM 0 HA ILE A 74 85.452 6.324 13.209 1.00 0.00 H new ATOM 0 HB ILE A 74 83.567 8.337 14.479 1.00 0.00 H new ATOM 0 HG12 ILE A 74 86.520 7.763 14.984 1.00 0.00 H new ATOM 0 HG13 ILE A 74 85.968 8.950 13.819 1.00 0.00 H new ATOM 0 HG21 ILE A 74 84.123 7.294 16.656 1.00 0.00 H new ATOM 0 HG22 ILE A 74 83.251 6.158 15.600 1.00 0.00 H new ATOM 0 HG23 ILE A 74 85.012 6.005 15.811 1.00 0.00 H new ATOM 0 HD11 ILE A 74 86.427 10.020 16.011 1.00 0.00 H new ATOM 0 HD12 ILE A 74 84.696 10.136 15.610 1.00 0.00 H new ATOM 0 HD13 ILE A 74 85.257 8.931 16.793 1.00 0.00 H new ATOM 893 N ILE A 75 83.734 4.555 13.558 1.00 0.00 N ATOM 894 CA ILE A 75 82.757 3.476 13.577 1.00 0.00 C ATOM 895 C ILE A 75 82.696 2.855 14.966 1.00 0.00 C ATOM 896 O ILE A 75 83.704 2.375 15.485 1.00 0.00 O ATOM 897 CB ILE A 75 83.154 2.414 12.550 1.00 0.00 C ATOM 898 CG1 ILE A 75 83.267 3.078 11.181 1.00 0.00 C ATOM 899 CG2 ILE A 75 82.078 1.331 12.477 1.00 0.00 C ATOM 900 CD1 ILE A 75 83.807 2.076 10.162 1.00 0.00 C ATOM 0 H ILE A 75 84.684 4.274 13.801 1.00 0.00 H new ATOM 0 HA ILE A 75 81.774 3.874 13.326 1.00 0.00 H new ATOM 0 HB ILE A 75 84.103 1.965 12.842 1.00 0.00 H new ATOM 0 HG12 ILE A 75 82.291 3.444 10.863 1.00 0.00 H new ATOM 0 HG13 ILE A 75 83.928 3.943 11.240 1.00 0.00 H new ATOM 0 HG21 ILE A 75 82.368 0.579 11.744 1.00 0.00 H new ATOM 0 HG22 ILE A 75 81.968 0.861 13.454 1.00 0.00 H new ATOM 0 HG23 ILE A 75 81.130 1.780 12.181 1.00 0.00 H new ATOM 0 HD11 ILE A 75 83.886 2.556 9.186 1.00 0.00 H new ATOM 0 HD12 ILE A 75 84.792 1.731 10.477 1.00 0.00 H new ATOM 0 HD13 ILE A 75 83.129 1.225 10.094 1.00 0.00 H new ATOM 912 N PHE A 76 81.510 2.854 15.558 1.00 0.00 N ATOM 913 CA PHE A 76 81.348 2.277 16.888 1.00 0.00 C ATOM 914 C PHE A 76 80.795 0.851 16.792 1.00 0.00 C ATOM 915 O PHE A 76 80.329 0.435 15.732 1.00 0.00 O ATOM 916 CB PHE A 76 80.395 3.132 17.716 1.00 0.00 C ATOM 917 CG PHE A 76 80.362 4.525 17.153 1.00 0.00 C ATOM 918 CD1 PHE A 76 79.582 4.802 16.028 1.00 0.00 C ATOM 919 CD2 PHE A 76 81.108 5.538 17.759 1.00 0.00 C ATOM 920 CE1 PHE A 76 79.547 6.097 15.505 1.00 0.00 C ATOM 921 CE2 PHE A 76 81.074 6.835 17.239 1.00 0.00 C ATOM 922 CZ PHE A 76 80.292 7.115 16.111 1.00 0.00 C ATOM 0 H PHE A 76 80.659 3.239 15.149 1.00 0.00 H new ATOM 0 HA PHE A 76 82.325 2.248 17.370 1.00 0.00 H new ATOM 0 HB2 PHE A 76 79.395 2.698 17.704 1.00 0.00 H new ATOM 0 HB3 PHE A 76 80.719 3.155 18.756 1.00 0.00 H new ATOM 0 HD1 PHE A 76 79.006 4.016 15.563 1.00 0.00 H new ATOM 0 HD2 PHE A 76 81.710 5.320 18.628 1.00 0.00 H new ATOM 0 HE1 PHE A 76 78.946 6.312 14.634 1.00 0.00 H new ATOM 0 HE2 PHE A 76 81.650 7.620 17.706 1.00 0.00 H new ATOM 0 HZ PHE A 76 80.264 8.117 15.709 1.00 0.00 H new ATOM 932 N PRO A 77 80.824 0.094 17.871 1.00 0.00 N ATOM 933 CA PRO A 77 80.293 -1.309 17.877 1.00 0.00 C ATOM 934 C PRO A 77 78.820 -1.368 17.467 1.00 0.00 C ATOM 935 O PRO A 77 78.040 -0.475 17.797 1.00 0.00 O ATOM 936 CB PRO A 77 80.451 -1.755 19.334 1.00 0.00 C ATOM 937 CG PRO A 77 81.513 -0.877 19.899 1.00 0.00 C ATOM 938 CD PRO A 77 81.358 0.468 19.196 1.00 0.00 C ATOM 0 HA PRO A 77 80.822 -1.943 17.166 1.00 0.00 H new ATOM 0 HB2 PRO A 77 79.516 -1.645 19.883 1.00 0.00 H new ATOM 0 HB3 PRO A 77 80.735 -2.806 19.396 1.00 0.00 H new ATOM 0 HG2 PRO A 77 81.399 -0.770 20.978 1.00 0.00 H new ATOM 0 HG3 PRO A 77 82.503 -1.298 19.724 1.00 0.00 H new ATOM 0 HD2 PRO A 77 80.677 1.128 19.734 1.00 0.00 H new ATOM 0 HD3 PRO A 77 82.310 0.992 19.114 1.00 0.00 H new ATOM 946 N ASP A 78 78.448 -2.426 16.751 1.00 0.00 N ATOM 947 CA ASP A 78 77.067 -2.595 16.304 1.00 0.00 C ATOM 948 C ASP A 78 76.761 -1.668 15.133 1.00 0.00 C ATOM 949 O ASP A 78 75.881 -1.953 14.319 1.00 0.00 O ATOM 950 CB ASP A 78 76.102 -2.296 17.457 1.00 0.00 C ATOM 951 CG ASP A 78 74.916 -3.254 17.409 1.00 0.00 C ATOM 952 OD1 ASP A 78 74.261 -3.305 16.381 1.00 0.00 O ATOM 953 OD2 ASP A 78 74.679 -3.924 18.402 1.00 0.00 O ATOM 0 H ASP A 78 79.079 -3.176 16.469 1.00 0.00 H new ATOM 0 HA ASP A 78 76.938 -3.627 15.978 1.00 0.00 H new ATOM 0 HB2 ASP A 78 76.621 -2.394 18.411 1.00 0.00 H new ATOM 0 HB3 ASP A 78 75.751 -1.266 17.390 1.00 0.00 H new ATOM 958 N ASP A 79 77.493 -0.562 15.047 1.00 0.00 N ATOM 959 CA ASP A 79 77.292 0.390 13.963 1.00 0.00 C ATOM 960 C ASP A 79 78.164 0.028 12.765 1.00 0.00 C ATOM 961 O ASP A 79 79.114 0.738 12.449 1.00 0.00 O ATOM 962 CB ASP A 79 77.641 1.800 14.442 1.00 0.00 C ATOM 963 CG ASP A 79 77.296 2.819 13.363 1.00 0.00 C ATOM 964 OD1 ASP A 79 77.060 2.406 12.239 1.00 0.00 O ATOM 965 OD2 ASP A 79 77.272 3.998 13.675 1.00 0.00 O ATOM 0 H ASP A 79 78.225 -0.305 15.710 1.00 0.00 H new ATOM 0 HA ASP A 79 76.246 0.355 13.660 1.00 0.00 H new ATOM 0 HB2 ASP A 79 77.094 2.028 15.357 1.00 0.00 H new ATOM 0 HB3 ASP A 79 78.702 1.859 14.683 1.00 0.00 H new ATOM 970 N CYS A 80 77.832 -1.076 12.099 1.00 0.00 N ATOM 971 CA CYS A 80 78.594 -1.517 10.937 1.00 0.00 C ATOM 972 C CYS A 80 78.150 -2.909 10.501 1.00 0.00 C ATOM 973 O CYS A 80 78.480 -3.905 11.144 1.00 0.00 O ATOM 974 CB CYS A 80 80.090 -1.535 11.261 1.00 0.00 C ATOM 975 SG CYS A 80 80.926 -2.728 10.185 1.00 0.00 S ATOM 0 H CYS A 80 77.045 -1.677 12.343 1.00 0.00 H new ATOM 0 HA CYS A 80 78.410 -0.816 10.123 1.00 0.00 H new ATOM 0 HB2 CYS A 80 80.516 -0.541 11.120 1.00 0.00 H new ATOM 0 HB3 CYS A 80 80.243 -1.802 12.307 1.00 0.00 H new ATOM 0 HG CYS A 80 80.391 -3.903 10.342 1.00 0.00 H new ATOM 981 N GLU A 81 77.407 -2.972 9.403 1.00 0.00 N ATOM 982 CA GLU A 81 76.934 -4.250 8.887 1.00 0.00 C ATOM 983 C GLU A 81 77.858 -4.763 7.790 1.00 0.00 C ATOM 984 O GLU A 81 77.999 -4.135 6.741 1.00 0.00 O ATOM 985 CB GLU A 81 75.515 -4.102 8.333 1.00 0.00 C ATOM 986 CG GLU A 81 74.519 -4.736 9.304 1.00 0.00 C ATOM 987 CD GLU A 81 73.092 -4.416 8.873 1.00 0.00 C ATOM 988 OE1 GLU A 81 72.737 -3.249 8.892 1.00 0.00 O ATOM 989 OE2 GLU A 81 72.376 -5.342 8.530 1.00 0.00 O ATOM 0 H GLU A 81 77.121 -2.160 8.856 1.00 0.00 H new ATOM 0 HA GLU A 81 76.929 -4.968 9.707 1.00 0.00 H new ATOM 0 HB2 GLU A 81 75.278 -3.048 8.189 1.00 0.00 H new ATOM 0 HB3 GLU A 81 75.443 -4.581 7.357 1.00 0.00 H new ATOM 0 HG2 GLU A 81 74.665 -5.816 9.333 1.00 0.00 H new ATOM 0 HG3 GLU A 81 74.695 -4.363 10.313 1.00 0.00 H new ATOM 996 N PHE A 82 78.480 -5.912 8.038 1.00 0.00 N ATOM 997 CA PHE A 82 79.386 -6.502 7.059 1.00 0.00 C ATOM 998 C PHE A 82 78.702 -7.659 6.339 1.00 0.00 C ATOM 999 O PHE A 82 78.263 -8.622 6.966 1.00 0.00 O ATOM 1000 CB PHE A 82 80.655 -7.000 7.757 1.00 0.00 C ATOM 1001 CG PHE A 82 80.301 -8.107 8.724 1.00 0.00 C ATOM 1002 CD1 PHE A 82 80.356 -9.444 8.310 1.00 0.00 C ATOM 1003 CD2 PHE A 82 79.915 -7.796 10.033 1.00 0.00 C ATOM 1004 CE1 PHE A 82 80.023 -10.468 9.204 1.00 0.00 C ATOM 1005 CE2 PHE A 82 79.584 -8.821 10.928 1.00 0.00 C ATOM 1006 CZ PHE A 82 79.637 -10.157 10.514 1.00 0.00 C ATOM 0 H PHE A 82 78.375 -6.448 8.899 1.00 0.00 H new ATOM 0 HA PHE A 82 79.656 -5.742 6.326 1.00 0.00 H new ATOM 0 HB2 PHE A 82 81.370 -7.363 7.018 1.00 0.00 H new ATOM 0 HB3 PHE A 82 81.136 -6.179 8.289 1.00 0.00 H new ATOM 0 HD1 PHE A 82 80.655 -9.685 7.301 1.00 0.00 H new ATOM 0 HD2 PHE A 82 79.872 -6.765 10.353 1.00 0.00 H new ATOM 0 HE1 PHE A 82 80.064 -11.499 8.884 1.00 0.00 H new ATOM 0 HE2 PHE A 82 79.288 -8.580 11.938 1.00 0.00 H new ATOM 0 HZ PHE A 82 79.381 -10.947 11.204 1.00 0.00 H new ATOM 1016 N LYS A 83 78.610 -7.556 5.017 1.00 0.00 N ATOM 1017 CA LYS A 83 77.976 -8.599 4.224 1.00 0.00 C ATOM 1018 C LYS A 83 78.486 -8.560 2.793 1.00 0.00 C ATOM 1019 O LYS A 83 79.060 -7.566 2.361 1.00 0.00 O ATOM 1020 CB LYS A 83 76.456 -8.422 4.236 1.00 0.00 C ATOM 1021 CG LYS A 83 76.108 -6.979 3.847 1.00 0.00 C ATOM 1022 CD LYS A 83 75.456 -6.249 5.026 1.00 0.00 C ATOM 1023 CE LYS A 83 74.016 -6.736 5.200 1.00 0.00 C ATOM 1024 NZ LYS A 83 73.631 -6.645 6.636 1.00 0.00 N ATOM 0 H LYS A 83 78.964 -6.766 4.477 1.00 0.00 H new ATOM 0 HA LYS A 83 78.226 -9.565 4.662 1.00 0.00 H new ATOM 0 HB2 LYS A 83 75.992 -9.120 3.539 1.00 0.00 H new ATOM 0 HB3 LYS A 83 76.060 -8.649 5.226 1.00 0.00 H new ATOM 0 HG2 LYS A 83 77.011 -6.451 3.539 1.00 0.00 H new ATOM 0 HG3 LYS A 83 75.431 -6.979 2.992 1.00 0.00 H new ATOM 0 HD2 LYS A 83 76.024 -6.431 5.938 1.00 0.00 H new ATOM 0 HD3 LYS A 83 75.468 -5.173 4.852 1.00 0.00 H new ATOM 0 HE2 LYS A 83 73.341 -6.133 4.593 1.00 0.00 H new ATOM 0 HE3 LYS A 83 73.924 -7.765 4.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 73.235 -7.555 6.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 74.470 -6.419 7.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 72.918 -5.898 6.758 1.00 0.00 H new ATOM 1038 N ARG A 84 78.268 -9.649 2.068 1.00 0.00 N ATOM 1039 CA ARG A 84 78.710 -9.736 0.684 1.00 0.00 C ATOM 1040 C ARG A 84 77.515 -9.905 -0.241 1.00 0.00 C ATOM 1041 O ARG A 84 76.518 -10.520 0.135 1.00 0.00 O ATOM 1042 CB ARG A 84 79.664 -10.925 0.522 1.00 0.00 C ATOM 1043 CG ARG A 84 78.955 -12.225 0.920 1.00 0.00 C ATOM 1044 CD ARG A 84 79.921 -13.402 0.763 1.00 0.00 C ATOM 1045 NE ARG A 84 79.261 -14.649 1.133 1.00 0.00 N ATOM 1046 CZ ARG A 84 79.903 -15.810 1.072 1.00 0.00 C ATOM 1047 NH1 ARG A 84 79.288 -16.913 1.404 1.00 0.00 N ATOM 1048 NH2 ARG A 84 81.146 -15.849 0.680 1.00 0.00 N ATOM 0 H ARG A 84 77.790 -10.481 2.414 1.00 0.00 H new ATOM 0 HA ARG A 84 79.230 -8.815 0.420 1.00 0.00 H new ATOM 0 HB2 ARG A 84 80.006 -10.989 -0.511 1.00 0.00 H new ATOM 0 HB3 ARG A 84 80.549 -10.779 1.142 1.00 0.00 H new ATOM 0 HG2 ARG A 84 78.607 -12.161 1.951 1.00 0.00 H new ATOM 0 HG3 ARG A 84 78.075 -12.377 0.296 1.00 0.00 H new ATOM 0 HD2 ARG A 84 80.271 -13.459 -0.268 1.00 0.00 H new ATOM 0 HD3 ARG A 84 80.799 -13.247 1.390 1.00 0.00 H new ATOM 0 HE ARG A 84 78.290 -14.629 1.444 1.00 0.00 H new ATOM 0 HH11 ARG A 84 78.315 -16.882 1.710 1.00 0.00 H new ATOM 0 HH12 ARG A 84 79.780 -17.805 1.357 1.00 0.00 H new ATOM 0 HH21 ARG A 84 81.626 -14.987 0.420 1.00 0.00 H new ATOM 0 HH22 ARG A 84 81.638 -16.741 0.633 1.00 0.00 H new ATOM 1062 N VAL A 85 77.618 -9.356 -1.447 1.00 0.00 N ATOM 1063 CA VAL A 85 76.529 -9.455 -2.407 1.00 0.00 C ATOM 1064 C VAL A 85 76.907 -10.433 -3.534 1.00 0.00 C ATOM 1065 O VAL A 85 77.753 -10.108 -4.367 1.00 0.00 O ATOM 1066 CB VAL A 85 76.216 -8.077 -3.000 1.00 0.00 C ATOM 1067 CG1 VAL A 85 77.436 -7.542 -3.752 1.00 0.00 C ATOM 1068 CG2 VAL A 85 75.036 -8.199 -3.963 1.00 0.00 C ATOM 0 H VAL A 85 78.435 -8.844 -1.779 1.00 0.00 H new ATOM 0 HA VAL A 85 75.643 -9.827 -1.892 1.00 0.00 H new ATOM 0 HB VAL A 85 75.964 -7.387 -2.194 1.00 0.00 H new ATOM 0 HG11 VAL A 85 77.205 -6.562 -4.170 1.00 0.00 H new ATOM 0 HG12 VAL A 85 78.277 -7.454 -3.065 1.00 0.00 H new ATOM 0 HG13 VAL A 85 77.696 -8.228 -4.558 1.00 0.00 H new ATOM 0 HG21 VAL A 85 74.810 -7.221 -4.387 1.00 0.00 H new ATOM 0 HG22 VAL A 85 75.291 -8.892 -4.765 1.00 0.00 H new ATOM 0 HG23 VAL A 85 74.164 -8.571 -3.425 1.00 0.00 H new ATOM 1078 N PRO A 86 76.325 -11.622 -3.578 1.00 0.00 N ATOM 1079 CA PRO A 86 76.658 -12.626 -4.636 1.00 0.00 C ATOM 1080 C PRO A 86 76.027 -12.284 -5.984 1.00 0.00 C ATOM 1081 O PRO A 86 74.814 -12.097 -6.083 1.00 0.00 O ATOM 1082 CB PRO A 86 76.093 -13.935 -4.079 1.00 0.00 C ATOM 1083 CG PRO A 86 74.970 -13.534 -3.183 1.00 0.00 C ATOM 1084 CD PRO A 86 75.301 -12.140 -2.648 1.00 0.00 C ATOM 0 HA PRO A 86 77.729 -12.668 -4.837 1.00 0.00 H new ATOM 0 HB2 PRO A 86 75.742 -14.584 -4.881 1.00 0.00 H new ATOM 0 HB3 PRO A 86 76.854 -14.489 -3.530 1.00 0.00 H new ATOM 0 HG2 PRO A 86 74.026 -13.524 -3.728 1.00 0.00 H new ATOM 0 HG3 PRO A 86 74.857 -14.245 -2.364 1.00 0.00 H new ATOM 0 HD2 PRO A 86 74.418 -11.501 -2.633 1.00 0.00 H new ATOM 0 HD3 PRO A 86 75.679 -12.186 -1.627 1.00 0.00 H new ATOM 1092 N GLN A 87 76.859 -12.213 -7.021 1.00 0.00 N ATOM 1093 CA GLN A 87 76.375 -11.898 -8.359 1.00 0.00 C ATOM 1094 C GLN A 87 76.516 -13.109 -9.268 1.00 0.00 C ATOM 1095 O GLN A 87 75.715 -13.308 -10.180 1.00 0.00 O ATOM 1096 CB GLN A 87 77.185 -10.744 -8.939 1.00 0.00 C ATOM 1097 CG GLN A 87 77.071 -9.536 -8.011 1.00 0.00 C ATOM 1098 CD GLN A 87 78.124 -8.505 -8.380 1.00 0.00 C ATOM 1099 OE1 GLN A 87 78.326 -8.215 -9.558 1.00 0.00 O ATOM 1100 NE2 GLN A 87 78.822 -7.948 -7.433 1.00 0.00 N ATOM 0 H GLN A 87 77.865 -12.369 -6.959 1.00 0.00 H new ATOM 0 HA GLN A 87 75.324 -11.617 -8.293 1.00 0.00 H new ATOM 0 HB2 GLN A 87 78.229 -11.036 -9.049 1.00 0.00 H new ATOM 0 HB3 GLN A 87 76.818 -10.490 -9.934 1.00 0.00 H new ATOM 0 HG2 GLN A 87 76.076 -9.098 -8.089 1.00 0.00 H new ATOM 0 HG3 GLN A 87 77.201 -9.848 -6.975 1.00 0.00 H new ATOM 0 HE21 GLN A 87 78.648 -8.194 -6.459 1.00 0.00 H new ATOM 0 HE22 GLN A 87 79.543 -7.265 -7.665 1.00 0.00 H new ATOM 1109 N CYS A 88 77.537 -13.920 -9.017 1.00 0.00 N ATOM 1110 CA CYS A 88 77.754 -15.105 -9.835 1.00 0.00 C ATOM 1111 C CYS A 88 78.431 -16.209 -9.012 1.00 0.00 C ATOM 1112 O CYS A 88 78.895 -15.957 -7.899 1.00 0.00 O ATOM 1113 CB CYS A 88 78.610 -14.752 -11.054 1.00 0.00 C ATOM 1114 SG CYS A 88 80.265 -15.451 -10.867 1.00 0.00 S ATOM 0 H CYS A 88 78.216 -13.783 -8.268 1.00 0.00 H new ATOM 0 HA CYS A 88 76.787 -15.474 -10.178 1.00 0.00 H new ATOM 0 HB2 CYS A 88 78.143 -15.137 -11.961 1.00 0.00 H new ATOM 0 HB3 CYS A 88 78.673 -13.669 -11.163 1.00 0.00 H new ATOM 0 HG CYS A 88 80.828 -14.955 -9.806 1.00 0.00 H new ATOM 1120 N PRO A 89 78.495 -17.418 -9.526 1.00 0.00 N ATOM 1121 CA PRO A 89 79.135 -18.567 -8.800 1.00 0.00 C ATOM 1122 C PRO A 89 80.549 -18.239 -8.312 1.00 0.00 C ATOM 1123 O PRO A 89 80.929 -18.591 -7.194 1.00 0.00 O ATOM 1124 CB PRO A 89 79.192 -19.666 -9.865 1.00 0.00 C ATOM 1125 CG PRO A 89 78.078 -19.358 -10.803 1.00 0.00 C ATOM 1126 CD PRO A 89 77.965 -17.833 -10.840 1.00 0.00 C ATOM 0 HA PRO A 89 78.578 -18.839 -7.904 1.00 0.00 H new ATOM 0 HB2 PRO A 89 80.152 -19.665 -10.380 1.00 0.00 H new ATOM 0 HB3 PRO A 89 79.070 -20.653 -9.419 1.00 0.00 H new ATOM 0 HG2 PRO A 89 78.283 -19.758 -11.796 1.00 0.00 H new ATOM 0 HG3 PRO A 89 77.146 -19.810 -10.463 1.00 0.00 H new ATOM 0 HD2 PRO A 89 78.544 -17.407 -11.659 1.00 0.00 H new ATOM 0 HD3 PRO A 89 76.933 -17.510 -10.977 1.00 0.00 H new ATOM 1134 N SER A 90 81.321 -17.559 -9.158 1.00 0.00 N ATOM 1135 CA SER A 90 82.691 -17.186 -8.812 1.00 0.00 C ATOM 1136 C SER A 90 82.791 -15.688 -8.540 1.00 0.00 C ATOM 1137 O SER A 90 81.832 -14.945 -8.741 1.00 0.00 O ATOM 1138 CB SER A 90 83.645 -17.566 -9.948 1.00 0.00 C ATOM 1139 OG SER A 90 83.339 -16.794 -11.101 1.00 0.00 O ATOM 0 H SER A 90 81.022 -17.256 -10.085 1.00 0.00 H new ATOM 0 HA SER A 90 82.972 -17.726 -7.908 1.00 0.00 H new ATOM 0 HB2 SER A 90 84.677 -17.392 -9.644 1.00 0.00 H new ATOM 0 HB3 SER A 90 83.554 -18.628 -10.174 1.00 0.00 H new ATOM 0 HG SER A 90 82.434 -16.428 -11.019 1.00 0.00 H new ATOM 1145 N GLY A 91 83.957 -15.253 -8.074 1.00 0.00 N ATOM 1146 CA GLY A 91 84.171 -13.843 -7.776 1.00 0.00 C ATOM 1147 C GLY A 91 83.962 -13.560 -6.295 1.00 0.00 C ATOM 1148 O GLY A 91 83.204 -14.256 -5.618 1.00 0.00 O ATOM 0 H GLY A 91 84.763 -15.852 -7.896 1.00 0.00 H new ATOM 0 HA2 GLY A 91 85.182 -13.556 -8.066 1.00 0.00 H new ATOM 0 HA3 GLY A 91 83.486 -13.235 -8.366 1.00 0.00 H new ATOM 1152 N ARG A 92 84.643 -12.533 -5.798 1.00 0.00 N ATOM 1153 CA ARG A 92 84.533 -12.156 -4.395 1.00 0.00 C ATOM 1154 C ARG A 92 84.262 -10.662 -4.260 1.00 0.00 C ATOM 1155 O ARG A 92 84.925 -9.839 -4.891 1.00 0.00 O ATOM 1156 CB ARG A 92 85.827 -12.513 -3.660 1.00 0.00 C ATOM 1157 CG ARG A 92 86.020 -14.030 -3.680 1.00 0.00 C ATOM 1158 CD ARG A 92 87.308 -14.395 -2.942 1.00 0.00 C ATOM 1159 NE ARG A 92 87.188 -14.058 -1.528 1.00 0.00 N ATOM 1160 CZ ARG A 92 86.541 -14.856 -0.686 1.00 0.00 C ATOM 1161 NH1 ARG A 92 86.454 -14.539 0.577 1.00 0.00 N ATOM 1162 NH2 ARG A 92 85.989 -15.954 -1.123 1.00 0.00 N ATOM 0 H ARG A 92 85.275 -11.949 -6.345 1.00 0.00 H new ATOM 0 HA ARG A 92 83.700 -12.703 -3.953 1.00 0.00 H new ATOM 0 HB2 ARG A 92 86.676 -12.021 -4.135 1.00 0.00 H new ATOM 0 HB3 ARG A 92 85.785 -12.154 -2.632 1.00 0.00 H new ATOM 0 HG2 ARG A 92 85.168 -14.521 -3.209 1.00 0.00 H new ATOM 0 HG3 ARG A 92 86.065 -14.387 -4.709 1.00 0.00 H new ATOM 0 HD2 ARG A 92 87.511 -15.460 -3.054 1.00 0.00 H new ATOM 0 HD3 ARG A 92 88.151 -13.862 -3.381 1.00 0.00 H new ATOM 0 HE ARG A 92 87.608 -13.196 -1.180 1.00 0.00 H new ATOM 0 HH11 ARG A 92 86.883 -13.678 0.918 1.00 0.00 H new ATOM 0 HH12 ARG A 92 85.957 -15.152 1.224 1.00 0.00 H new ATOM 0 HH21 ARG A 92 86.054 -16.199 -2.111 1.00 0.00 H new ATOM 0 HH22 ARG A 92 85.492 -16.567 -0.477 1.00 0.00 H new ATOM 1176 N VAL A 93 83.287 -10.322 -3.428 1.00 0.00 N ATOM 1177 CA VAL A 93 82.932 -8.926 -3.207 1.00 0.00 C ATOM 1178 C VAL A 93 82.426 -8.722 -1.783 1.00 0.00 C ATOM 1179 O VAL A 93 81.694 -9.556 -1.249 1.00 0.00 O ATOM 1180 CB VAL A 93 81.855 -8.493 -4.206 1.00 0.00 C ATOM 1181 CG1 VAL A 93 80.630 -9.399 -4.066 1.00 0.00 C ATOM 1182 CG2 VAL A 93 81.450 -7.044 -3.920 1.00 0.00 C ATOM 0 H VAL A 93 82.729 -10.991 -2.897 1.00 0.00 H new ATOM 0 HA VAL A 93 83.823 -8.316 -3.353 1.00 0.00 H new ATOM 0 HB VAL A 93 82.249 -8.571 -5.219 1.00 0.00 H new ATOM 0 HG11 VAL A 93 79.865 -9.089 -4.778 1.00 0.00 H new ATOM 0 HG12 VAL A 93 80.916 -10.431 -4.267 1.00 0.00 H new ATOM 0 HG13 VAL A 93 80.235 -9.323 -3.053 1.00 0.00 H new ATOM 0 HG21 VAL A 93 80.683 -6.734 -4.630 1.00 0.00 H new ATOM 0 HG22 VAL A 93 81.057 -6.969 -2.906 1.00 0.00 H new ATOM 0 HG23 VAL A 93 82.321 -6.396 -4.020 1.00 0.00 H new ATOM 1192 N TYR A 94 82.816 -7.603 -1.178 1.00 0.00 N ATOM 1193 CA TYR A 94 82.394 -7.282 0.182 1.00 0.00 C ATOM 1194 C TYR A 94 81.565 -6.004 0.193 1.00 0.00 C ATOM 1195 O TYR A 94 81.881 -5.043 -0.512 1.00 0.00 O ATOM 1196 CB TYR A 94 83.612 -7.117 1.091 1.00 0.00 C ATOM 1197 CG TYR A 94 84.258 -8.461 1.313 1.00 0.00 C ATOM 1198 CD1 TYR A 94 85.242 -8.927 0.434 1.00 0.00 C ATOM 1199 CD2 TYR A 94 83.869 -9.246 2.406 1.00 0.00 C ATOM 1200 CE1 TYR A 94 85.838 -10.176 0.647 1.00 0.00 C ATOM 1201 CE2 TYR A 94 84.464 -10.493 2.620 1.00 0.00 C ATOM 1202 CZ TYR A 94 85.448 -10.959 1.741 1.00 0.00 C ATOM 1203 OH TYR A 94 86.036 -12.190 1.953 1.00 0.00 O ATOM 0 H TYR A 94 83.423 -6.904 -1.607 1.00 0.00 H new ATOM 0 HA TYR A 94 81.782 -8.103 0.555 1.00 0.00 H new ATOM 0 HB2 TYR A 94 84.326 -6.428 0.639 1.00 0.00 H new ATOM 0 HB3 TYR A 94 83.311 -6.684 2.045 1.00 0.00 H new ATOM 0 HD1 TYR A 94 85.542 -8.323 -0.409 1.00 0.00 H new ATOM 0 HD2 TYR A 94 83.109 -8.888 3.084 1.00 0.00 H new ATOM 0 HE1 TYR A 94 86.598 -10.535 -0.031 1.00 0.00 H new ATOM 0 HE2 TYR A 94 84.164 -11.097 3.464 1.00 0.00 H new ATOM 0 HH TYR A 94 85.652 -12.602 2.755 1.00 0.00 H new ATOM 1213 N VAL A 95 80.504 -6.002 0.995 1.00 0.00 N ATOM 1214 CA VAL A 95 79.630 -4.837 1.091 1.00 0.00 C ATOM 1215 C VAL A 95 79.511 -4.375 2.539 1.00 0.00 C ATOM 1216 O VAL A 95 79.127 -5.147 3.420 1.00 0.00 O ATOM 1217 CB VAL A 95 78.241 -5.180 0.547 1.00 0.00 C ATOM 1218 CG1 VAL A 95 77.331 -3.953 0.635 1.00 0.00 C ATOM 1219 CG2 VAL A 95 78.354 -5.623 -0.915 1.00 0.00 C ATOM 0 H VAL A 95 80.230 -6.788 1.584 1.00 0.00 H new ATOM 0 HA VAL A 95 80.063 -4.031 0.499 1.00 0.00 H new ATOM 0 HB VAL A 95 77.817 -5.989 1.142 1.00 0.00 H new ATOM 0 HG11 VAL A 95 76.344 -4.203 0.246 1.00 0.00 H new ATOM 0 HG12 VAL A 95 77.243 -3.639 1.675 1.00 0.00 H new ATOM 0 HG13 VAL A 95 77.757 -3.141 0.046 1.00 0.00 H new ATOM 0 HG21 VAL A 95 77.363 -5.866 -1.299 1.00 0.00 H new ATOM 0 HG22 VAL A 95 78.785 -4.816 -1.508 1.00 0.00 H new ATOM 0 HG23 VAL A 95 78.995 -6.502 -0.980 1.00 0.00 H new ATOM 1229 N LEU A 96 79.827 -3.105 2.774 1.00 0.00 N ATOM 1230 CA LEU A 96 79.739 -2.534 4.112 1.00 0.00 C ATOM 1231 C LEU A 96 78.564 -1.573 4.211 1.00 0.00 C ATOM 1232 O LEU A 96 78.404 -0.685 3.372 1.00 0.00 O ATOM 1233 CB LEU A 96 81.035 -1.792 4.461 1.00 0.00 C ATOM 1234 CG LEU A 96 81.978 -2.727 5.231 1.00 0.00 C ATOM 1235 CD1 LEU A 96 83.366 -2.090 5.349 1.00 0.00 C ATOM 1236 CD2 LEU A 96 81.430 -2.980 6.642 1.00 0.00 C ATOM 0 H LEU A 96 80.145 -2.454 2.056 1.00 0.00 H new ATOM 0 HA LEU A 96 79.589 -3.351 4.818 1.00 0.00 H new ATOM 0 HB2 LEU A 96 81.520 -1.441 3.550 1.00 0.00 H new ATOM 0 HB3 LEU A 96 80.810 -0.911 5.063 1.00 0.00 H new ATOM 0 HG LEU A 96 82.050 -3.670 4.689 1.00 0.00 H new ATOM 0 HD11 LEU A 96 84.029 -2.760 5.897 1.00 0.00 H new ATOM 0 HD12 LEU A 96 83.771 -1.913 4.353 1.00 0.00 H new ATOM 0 HD13 LEU A 96 83.287 -1.142 5.882 1.00 0.00 H new ATOM 0 HD21 LEU A 96 82.105 -3.644 7.181 1.00 0.00 H new ATOM 0 HD22 LEU A 96 81.349 -2.033 7.176 1.00 0.00 H new ATOM 0 HD23 LEU A 96 80.445 -3.442 6.572 1.00 0.00 H new ATOM 1248 N LYS A 97 77.752 -1.753 5.249 1.00 0.00 N ATOM 1249 CA LYS A 97 76.599 -0.893 5.460 1.00 0.00 C ATOM 1250 C LYS A 97 76.809 -0.010 6.679 1.00 0.00 C ATOM 1251 O LYS A 97 76.861 -0.496 7.809 1.00 0.00 O ATOM 1252 CB LYS A 97 75.339 -1.739 5.653 1.00 0.00 C ATOM 1253 CG LYS A 97 74.437 -1.612 4.421 1.00 0.00 C ATOM 1254 CD LYS A 97 73.149 -2.411 4.633 1.00 0.00 C ATOM 1255 CE LYS A 97 72.121 -1.562 5.389 1.00 0.00 C ATOM 1256 NZ LYS A 97 70.864 -2.346 5.561 1.00 0.00 N ATOM 0 H LYS A 97 77.872 -2.483 5.951 1.00 0.00 H new ATOM 0 HA LYS A 97 76.478 -0.260 4.581 1.00 0.00 H new ATOM 0 HB2 LYS A 97 75.611 -2.783 5.810 1.00 0.00 H new ATOM 0 HB3 LYS A 97 74.803 -1.412 6.544 1.00 0.00 H new ATOM 0 HG2 LYS A 97 74.199 -0.564 4.240 1.00 0.00 H new ATOM 0 HG3 LYS A 97 74.960 -1.977 3.537 1.00 0.00 H new ATOM 0 HD2 LYS A 97 72.740 -2.719 3.671 1.00 0.00 H new ATOM 0 HD3 LYS A 97 73.364 -3.320 5.194 1.00 0.00 H new ATOM 0 HE2 LYS A 97 72.518 -1.271 6.362 1.00 0.00 H new ATOM 0 HE3 LYS A 97 71.917 -0.643 4.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 70.164 -1.772 6.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 70.484 -2.602 4.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 71.066 -3.211 6.102 1.00 0.00 H new ATOM 1270 N PHE A 98 76.925 1.289 6.443 1.00 0.00 N ATOM 1271 CA PHE A 98 77.127 2.229 7.533 1.00 0.00 C ATOM 1272 C PHE A 98 75.778 2.687 8.074 1.00 0.00 C ATOM 1273 O PHE A 98 75.073 3.452 7.425 1.00 0.00 O ATOM 1274 CB PHE A 98 77.911 3.442 7.027 1.00 0.00 C ATOM 1275 CG PHE A 98 79.285 3.000 6.591 1.00 0.00 C ATOM 1276 CD1 PHE A 98 79.489 2.554 5.279 1.00 0.00 C ATOM 1277 CD2 PHE A 98 80.354 3.040 7.490 1.00 0.00 C ATOM 1278 CE1 PHE A 98 80.763 2.144 4.870 1.00 0.00 C ATOM 1279 CE2 PHE A 98 81.629 2.630 7.081 1.00 0.00 C ATOM 1280 CZ PHE A 98 81.832 2.183 5.770 1.00 0.00 C ATOM 0 H PHE A 98 76.883 1.712 5.516 1.00 0.00 H new ATOM 0 HA PHE A 98 77.688 1.739 8.329 1.00 0.00 H new ATOM 0 HB2 PHE A 98 77.385 3.908 6.194 1.00 0.00 H new ATOM 0 HB3 PHE A 98 77.990 4.192 7.814 1.00 0.00 H new ATOM 0 HD1 PHE A 98 78.663 2.527 4.583 1.00 0.00 H new ATOM 0 HD2 PHE A 98 80.197 3.387 8.501 1.00 0.00 H new ATOM 0 HE1 PHE A 98 80.920 1.798 3.859 1.00 0.00 H new ATOM 0 HE2 PHE A 98 82.455 2.659 7.776 1.00 0.00 H new ATOM 0 HZ PHE A 98 82.815 1.868 5.454 1.00 0.00 H new ATOM 1290 N LYS A 99 75.431 2.215 9.266 1.00 0.00 N ATOM 1291 CA LYS A 99 74.165 2.587 9.887 1.00 0.00 C ATOM 1292 C LYS A 99 74.147 4.071 10.236 1.00 0.00 C ATOM 1293 O LYS A 99 73.082 4.668 10.400 1.00 0.00 O ATOM 1294 CB LYS A 99 73.932 1.759 11.149 1.00 0.00 C ATOM 1295 CG LYS A 99 73.613 0.320 10.754 1.00 0.00 C ATOM 1296 CD LYS A 99 73.480 -0.534 12.012 1.00 0.00 C ATOM 1297 CE LYS A 99 73.102 -1.956 11.611 1.00 0.00 C ATOM 1298 NZ LYS A 99 71.680 -1.992 11.164 1.00 0.00 N ATOM 0 H LYS A 99 76.004 1.578 9.819 1.00 0.00 H new ATOM 0 HA LYS A 99 73.366 2.387 9.173 1.00 0.00 H new ATOM 0 HB2 LYS A 99 74.817 1.786 11.785 1.00 0.00 H new ATOM 0 HB3 LYS A 99 73.110 2.180 11.728 1.00 0.00 H new ATOM 0 HG2 LYS A 99 72.688 0.286 10.179 1.00 0.00 H new ATOM 0 HG3 LYS A 99 74.401 -0.076 10.114 1.00 0.00 H new ATOM 0 HD2 LYS A 99 74.419 -0.536 12.566 1.00 0.00 H new ATOM 0 HD3 LYS A 99 72.721 -0.115 12.673 1.00 0.00 H new ATOM 0 HE2 LYS A 99 73.754 -2.303 10.809 1.00 0.00 H new ATOM 0 HE3 LYS A 99 73.245 -2.632 12.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 71.127 -2.588 11.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 71.292 -1.027 11.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 71.628 -2.386 10.203 1.00 0.00 H new ATOM 1312 N ALA A 100 75.332 4.660 10.359 1.00 0.00 N ATOM 1313 CA ALA A 100 75.442 6.074 10.702 1.00 0.00 C ATOM 1314 C ALA A 100 74.840 6.944 9.602 1.00 0.00 C ATOM 1315 O ALA A 100 74.342 8.038 9.868 1.00 0.00 O ATOM 1316 CB ALA A 100 76.913 6.446 10.898 1.00 0.00 C ATOM 0 H ALA A 100 76.225 4.184 10.227 1.00 0.00 H new ATOM 0 HA ALA A 100 74.892 6.248 11.627 1.00 0.00 H new ATOM 0 HB1 ALA A 100 76.990 7.503 11.154 1.00 0.00 H new ATOM 0 HB2 ALA A 100 77.336 5.846 11.704 1.00 0.00 H new ATOM 0 HB3 ALA A 100 77.463 6.255 9.976 1.00 0.00 H new ATOM 1322 N GLY A 101 74.885 6.454 8.366 1.00 0.00 N ATOM 1323 CA GLY A 101 74.335 7.201 7.239 1.00 0.00 C ATOM 1324 C GLY A 101 73.705 6.263 6.212 1.00 0.00 C ATOM 1325 O GLY A 101 73.411 6.667 5.087 1.00 0.00 O ATOM 0 H GLY A 101 75.293 5.552 8.121 1.00 0.00 H new ATOM 0 HA2 GLY A 101 73.587 7.908 7.598 1.00 0.00 H new ATOM 0 HA3 GLY A 101 75.124 7.785 6.766 1.00 0.00 H new ATOM 1329 N SER A 102 73.506 5.010 6.605 1.00 0.00 N ATOM 1330 CA SER A 102 72.916 4.018 5.710 1.00 0.00 C ATOM 1331 C SER A 102 73.607 4.049 4.351 1.00 0.00 C ATOM 1332 O SER A 102 72.950 4.043 3.308 1.00 0.00 O ATOM 1333 CB SER A 102 71.422 4.286 5.540 1.00 0.00 C ATOM 1334 OG SER A 102 70.782 4.185 6.805 1.00 0.00 O ATOM 0 H SER A 102 73.743 4.657 7.532 1.00 0.00 H new ATOM 0 HA SER A 102 73.053 3.030 6.150 1.00 0.00 H new ATOM 0 HB2 SER A 102 71.264 5.278 5.117 1.00 0.00 H new ATOM 0 HB3 SER A 102 70.989 3.570 4.842 1.00 0.00 H new ATOM 0 HG SER A 102 69.823 4.358 6.701 1.00 0.00 H new ATOM 1340 N LYS A 103 74.934 4.086 4.374 1.00 0.00 N ATOM 1341 CA LYS A 103 75.714 4.122 3.140 1.00 0.00 C ATOM 1342 C LYS A 103 76.199 2.724 2.762 1.00 0.00 C ATOM 1343 O LYS A 103 76.569 1.932 3.629 1.00 0.00 O ATOM 1344 CB LYS A 103 76.920 5.051 3.302 1.00 0.00 C ATOM 1345 CG LYS A 103 77.501 5.371 1.921 1.00 0.00 C ATOM 1346 CD LYS A 103 79.030 5.282 1.963 1.00 0.00 C ATOM 1347 CE LYS A 103 79.582 6.336 2.921 1.00 0.00 C ATOM 1348 NZ LYS A 103 80.588 7.172 2.206 1.00 0.00 N ATOM 0 H LYS A 103 75.491 4.092 5.228 1.00 0.00 H new ATOM 0 HA LYS A 103 75.069 4.498 2.346 1.00 0.00 H new ATOM 0 HB2 LYS A 103 76.621 5.970 3.805 1.00 0.00 H new ATOM 0 HB3 LYS A 103 77.677 4.578 3.927 1.00 0.00 H new ATOM 0 HG2 LYS A 103 77.108 4.673 1.181 1.00 0.00 H new ATOM 0 HG3 LYS A 103 77.195 6.370 1.611 1.00 0.00 H new ATOM 0 HD2 LYS A 103 79.337 4.287 2.286 1.00 0.00 H new ATOM 0 HD3 LYS A 103 79.440 5.434 0.965 1.00 0.00 H new ATOM 0 HE2 LYS A 103 78.773 6.962 3.297 1.00 0.00 H new ATOM 0 HE3 LYS A 103 80.040 5.855 3.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 80.966 7.891 2.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 81.364 6.568 1.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 80.136 7.641 1.395 1.00 0.00 H new ATOM 1362 N ARG A 104 76.193 2.429 1.463 1.00 0.00 N ATOM 1363 CA ARG A 104 76.635 1.127 0.972 1.00 0.00 C ATOM 1364 C ARG A 104 77.896 1.282 0.130 1.00 0.00 C ATOM 1365 O ARG A 104 77.923 2.062 -0.824 1.00 0.00 O ATOM 1366 CB ARG A 104 75.532 0.482 0.131 1.00 0.00 C ATOM 1367 CG ARG A 104 74.164 0.942 0.650 1.00 0.00 C ATOM 1368 CD ARG A 104 73.848 2.367 0.173 1.00 0.00 C ATOM 1369 NE ARG A 104 72.648 2.366 -0.655 1.00 0.00 N ATOM 1370 CZ ARG A 104 72.255 3.464 -1.289 1.00 0.00 C ATOM 1371 NH1 ARG A 104 71.173 3.444 -2.017 1.00 0.00 N ATOM 1372 NH2 ARG A 104 72.951 4.563 -1.180 1.00 0.00 N ATOM 0 H ARG A 104 75.887 3.073 0.734 1.00 0.00 H new ATOM 0 HA ARG A 104 76.854 0.488 1.828 1.00 0.00 H new ATOM 0 HB2 ARG A 104 75.648 0.760 -0.917 1.00 0.00 H new ATOM 0 HB3 ARG A 104 75.607 -0.604 0.183 1.00 0.00 H new ATOM 0 HG2 ARG A 104 73.390 0.258 0.302 1.00 0.00 H new ATOM 0 HG3 ARG A 104 74.154 0.908 1.739 1.00 0.00 H new ATOM 0 HD2 ARG A 104 73.705 3.023 1.032 1.00 0.00 H new ATOM 0 HD3 ARG A 104 74.690 2.764 -0.394 1.00 0.00 H new ATOM 0 HE ARG A 104 72.103 1.509 -0.748 1.00 0.00 H new ATOM 0 HH11 ARG A 104 70.629 2.585 -2.099 1.00 0.00 H new ATOM 0 HH12 ARG A 104 70.871 4.287 -2.504 1.00 0.00 H new ATOM 0 HH21 ARG A 104 73.796 4.577 -0.608 1.00 0.00 H new ATOM 0 HH22 ARG A 104 72.650 5.407 -1.667 1.00 0.00 H new ATOM 1386 N LEU A 105 78.934 0.533 0.489 1.00 0.00 N ATOM 1387 CA LEU A 105 80.199 0.593 -0.233 1.00 0.00 C ATOM 1388 C LEU A 105 80.582 -0.796 -0.735 1.00 0.00 C ATOM 1389 O LEU A 105 80.382 -1.787 -0.036 1.00 0.00 O ATOM 1390 CB LEU A 105 81.303 1.122 0.684 1.00 0.00 C ATOM 1391 CG LEU A 105 82.369 1.826 -0.157 1.00 0.00 C ATOM 1392 CD1 LEU A 105 81.927 3.261 -0.461 1.00 0.00 C ATOM 1393 CD2 LEU A 105 83.691 1.851 0.612 1.00 0.00 C ATOM 0 H LEU A 105 78.924 -0.120 1.272 1.00 0.00 H new ATOM 0 HA LEU A 105 80.082 1.265 -1.083 1.00 0.00 H new ATOM 0 HB2 LEU A 105 80.884 1.815 1.414 1.00 0.00 H new ATOM 0 HB3 LEU A 105 81.750 0.301 1.244 1.00 0.00 H new ATOM 0 HG LEU A 105 82.502 1.285 -1.094 1.00 0.00 H new ATOM 0 HD11 LEU A 105 82.690 3.758 -1.060 1.00 0.00 H new ATOM 0 HD12 LEU A 105 80.987 3.243 -1.013 1.00 0.00 H new ATOM 0 HD13 LEU A 105 81.789 3.805 0.473 1.00 0.00 H new ATOM 0 HD21 LEU A 105 84.451 2.353 0.013 1.00 0.00 H new ATOM 0 HD22 LEU A 105 83.556 2.388 1.551 1.00 0.00 H new ATOM 0 HD23 LEU A 105 84.010 0.830 0.821 1.00 0.00 H new ATOM 1405 N PHE A 106 81.119 -0.857 -1.951 1.00 0.00 N ATOM 1406 CA PHE A 106 81.517 -2.134 -2.542 1.00 0.00 C ATOM 1407 C PHE A 106 83.009 -2.132 -2.867 1.00 0.00 C ATOM 1408 O PHE A 106 83.487 -1.277 -3.612 1.00 0.00 O ATOM 1409 CB PHE A 106 80.728 -2.369 -3.831 1.00 0.00 C ATOM 1410 CG PHE A 106 79.487 -1.507 -3.823 1.00 0.00 C ATOM 1411 CD1 PHE A 106 79.588 -0.143 -4.123 1.00 0.00 C ATOM 1412 CD2 PHE A 106 78.240 -2.069 -3.528 1.00 0.00 C ATOM 1413 CE1 PHE A 106 78.443 0.661 -4.123 1.00 0.00 C ATOM 1414 CE2 PHE A 106 77.094 -1.264 -3.526 1.00 0.00 C ATOM 1415 CZ PHE A 106 77.196 0.101 -3.826 1.00 0.00 C ATOM 0 H PHE A 106 81.288 -0.044 -2.543 1.00 0.00 H new ATOM 0 HA PHE A 106 81.309 -2.928 -1.825 1.00 0.00 H new ATOM 0 HB2 PHE A 106 81.345 -2.130 -4.697 1.00 0.00 H new ATOM 0 HB3 PHE A 106 80.453 -3.420 -3.916 1.00 0.00 H new ATOM 0 HD1 PHE A 106 80.550 0.289 -4.355 1.00 0.00 H new ATOM 0 HD2 PHE A 106 78.161 -3.122 -3.302 1.00 0.00 H new ATOM 0 HE1 PHE A 106 78.522 1.713 -4.352 1.00 0.00 H new ATOM 0 HE2 PHE A 106 76.132 -1.695 -3.293 1.00 0.00 H new ATOM 0 HZ PHE A 106 76.312 0.721 -3.828 1.00 0.00 H new ATOM 1425 N PHE A 107 83.741 -3.093 -2.309 1.00 0.00 N ATOM 1426 CA PHE A 107 85.175 -3.182 -2.562 1.00 0.00 C ATOM 1427 C PHE A 107 85.655 -4.619 -2.380 1.00 0.00 C ATOM 1428 O PHE A 107 84.960 -5.447 -1.787 1.00 0.00 O ATOM 1429 CB PHE A 107 85.938 -2.261 -1.610 1.00 0.00 C ATOM 1430 CG PHE A 107 85.904 -2.837 -0.219 1.00 0.00 C ATOM 1431 CD1 PHE A 107 86.993 -3.585 0.247 1.00 0.00 C ATOM 1432 CD2 PHE A 107 84.787 -2.642 0.599 1.00 0.00 C ATOM 1433 CE1 PHE A 107 86.965 -4.133 1.533 1.00 0.00 C ATOM 1434 CE2 PHE A 107 84.759 -3.188 1.887 1.00 0.00 C ATOM 1435 CZ PHE A 107 85.848 -3.936 2.354 1.00 0.00 C ATOM 0 H PHE A 107 83.371 -3.812 -1.687 1.00 0.00 H new ATOM 0 HA PHE A 107 85.365 -2.870 -3.589 1.00 0.00 H new ATOM 0 HB2 PHE A 107 86.970 -2.149 -1.944 1.00 0.00 H new ATOM 0 HB3 PHE A 107 85.492 -1.266 -1.614 1.00 0.00 H new ATOM 0 HD1 PHE A 107 87.854 -3.738 -0.387 1.00 0.00 H new ATOM 0 HD2 PHE A 107 83.946 -2.070 0.237 1.00 0.00 H new ATOM 0 HE1 PHE A 107 87.805 -4.708 1.893 1.00 0.00 H new ATOM 0 HE2 PHE A 107 83.898 -3.033 2.521 1.00 0.00 H new ATOM 0 HZ PHE A 107 85.826 -4.360 3.347 1.00 0.00 H new ATOM 1445 N TRP A 108 86.845 -4.902 -2.893 1.00 0.00 N ATOM 1446 CA TRP A 108 87.419 -6.236 -2.794 1.00 0.00 C ATOM 1447 C TRP A 108 88.928 -6.168 -2.584 1.00 0.00 C ATOM 1448 O TRP A 108 89.576 -5.176 -2.920 1.00 0.00 O ATOM 1449 CB TRP A 108 87.085 -7.036 -4.060 1.00 0.00 C ATOM 1450 CG TRP A 108 87.399 -6.212 -5.269 1.00 0.00 C ATOM 1451 CD1 TRP A 108 86.739 -5.083 -5.620 1.00 0.00 C ATOM 1452 CD2 TRP A 108 88.403 -6.436 -6.303 1.00 0.00 C ATOM 1453 NE1 TRP A 108 87.292 -4.584 -6.783 1.00 0.00 N ATOM 1454 CE2 TRP A 108 88.317 -5.383 -7.246 1.00 0.00 C ATOM 1455 CE3 TRP A 108 89.377 -7.431 -6.511 1.00 0.00 C ATOM 1456 CZ2 TRP A 108 89.164 -5.318 -8.351 1.00 0.00 C ATOM 1457 CZ3 TRP A 108 90.228 -7.370 -7.630 1.00 0.00 C ATOM 1458 CH2 TRP A 108 90.122 -6.316 -8.545 1.00 0.00 C ATOM 0 H TRP A 108 87.431 -4.225 -3.382 1.00 0.00 H new ATOM 0 HA TRP A 108 86.987 -6.739 -1.929 1.00 0.00 H new ATOM 0 HB2 TRP A 108 87.659 -7.963 -4.079 1.00 0.00 H new ATOM 0 HB3 TRP A 108 86.031 -7.314 -4.060 1.00 0.00 H new ATOM 0 HD1 TRP A 108 85.914 -4.644 -5.078 1.00 0.00 H new ATOM 0 HE1 TRP A 108 86.981 -3.729 -7.244 1.00 0.00 H new ATOM 0 HE3 TRP A 108 89.472 -8.245 -5.808 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 89.080 -4.501 -9.053 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 90.968 -8.142 -7.784 1.00 0.00 H new ATOM 0 HH2 TRP A 108 90.780 -6.274 -9.400 1.00 0.00 H new ATOM 1469 N MET A 109 89.475 -7.234 -2.014 1.00 0.00 N ATOM 1470 CA MET A 109 90.903 -7.321 -1.732 1.00 0.00 C ATOM 1471 C MET A 109 91.709 -7.397 -3.025 1.00 0.00 C ATOM 1472 O MET A 109 92.362 -8.401 -3.310 1.00 0.00 O ATOM 1473 CB MET A 109 91.201 -8.515 -0.812 1.00 0.00 C ATOM 1474 CG MET A 109 91.509 -7.997 0.595 1.00 0.00 C ATOM 1475 SD MET A 109 90.073 -7.100 1.227 1.00 0.00 S ATOM 1476 CE MET A 109 90.682 -6.896 2.915 1.00 0.00 C ATOM 0 H MET A 109 88.945 -8.059 -1.735 1.00 0.00 H new ATOM 0 HA MET A 109 91.207 -6.414 -1.209 1.00 0.00 H new ATOM 0 HB2 MET A 109 90.347 -9.192 -0.785 1.00 0.00 H new ATOM 0 HB3 MET A 109 92.047 -9.085 -1.197 1.00 0.00 H new ATOM 0 HG2 MET A 109 91.753 -8.829 1.256 1.00 0.00 H new ATOM 0 HG3 MET A 109 92.380 -7.342 0.572 1.00 0.00 H new ATOM 0 HE1 MET A 109 89.943 -6.355 3.506 1.00 0.00 H new ATOM 0 HE2 MET A 109 90.856 -7.876 3.360 1.00 0.00 H new ATOM 0 HE3 MET A 109 91.616 -6.334 2.899 1.00 0.00 H new ATOM 1486 N GLN A 110 91.652 -6.336 -3.823 1.00 0.00 N ATOM 1487 CA GLN A 110 92.376 -6.323 -5.084 1.00 0.00 C ATOM 1488 C GLN A 110 93.877 -6.386 -4.823 1.00 0.00 C ATOM 1489 O GLN A 110 94.674 -6.267 -5.744 1.00 0.00 O ATOM 1490 CB GLN A 110 92.029 -5.057 -5.880 1.00 0.00 C ATOM 1491 CG GLN A 110 92.737 -5.074 -7.241 1.00 0.00 C ATOM 1492 CD GLN A 110 92.009 -4.167 -8.227 1.00 0.00 C ATOM 1493 OE1 GLN A 110 91.214 -3.317 -7.823 1.00 0.00 O ATOM 1494 NE2 GLN A 110 92.231 -4.306 -9.504 1.00 0.00 N ATOM 0 H GLN A 110 91.121 -5.489 -3.622 1.00 0.00 H new ATOM 0 HA GLN A 110 92.083 -7.195 -5.669 1.00 0.00 H new ATOM 0 HB2 GLN A 110 90.950 -4.994 -6.024 1.00 0.00 H new ATOM 0 HB3 GLN A 110 92.328 -4.172 -5.318 1.00 0.00 H new ATOM 0 HG2 GLN A 110 93.769 -4.743 -7.126 1.00 0.00 H new ATOM 0 HG3 GLN A 110 92.770 -6.092 -7.629 1.00 0.00 H new ATOM 0 HE21 GLN A 110 92.890 -5.011 -9.833 1.00 0.00 H new ATOM 0 HE22 GLN A 110 91.746 -3.709 -10.174 1.00 0.00 H new ATOM 1503 N GLU A 111 94.259 -6.605 -3.566 1.00 0.00 N ATOM 1504 CA GLU A 111 95.670 -6.698 -3.232 1.00 0.00 C ATOM 1505 C GLU A 111 96.073 -8.173 -3.029 1.00 0.00 C ATOM 1506 O GLU A 111 95.768 -8.755 -1.990 1.00 0.00 O ATOM 1507 CB GLU A 111 95.949 -5.915 -1.953 1.00 0.00 C ATOM 1508 CG GLU A 111 97.445 -5.971 -1.642 1.00 0.00 C ATOM 1509 CD GLU A 111 97.745 -5.183 -0.377 1.00 0.00 C ATOM 1510 OE1 GLU A 111 96.804 -4.725 0.249 1.00 0.00 O ATOM 1511 OE2 GLU A 111 98.913 -5.047 -0.052 1.00 0.00 O ATOM 0 H GLU A 111 93.621 -6.719 -2.778 1.00 0.00 H new ATOM 0 HA GLU A 111 96.253 -6.278 -4.052 1.00 0.00 H new ATOM 0 HB2 GLU A 111 95.629 -4.880 -2.070 1.00 0.00 H new ATOM 0 HB3 GLU A 111 95.378 -6.334 -1.125 1.00 0.00 H new ATOM 0 HG2 GLU A 111 97.760 -7.007 -1.518 1.00 0.00 H new ATOM 0 HG3 GLU A 111 98.014 -5.563 -2.478 1.00 0.00 H new ATOM 1518 N PRO A 112 96.748 -8.793 -3.984 1.00 0.00 N ATOM 1519 CA PRO A 112 97.176 -10.224 -3.855 1.00 0.00 C ATOM 1520 C PRO A 112 98.361 -10.400 -2.907 1.00 0.00 C ATOM 1521 O PRO A 112 98.615 -11.499 -2.405 1.00 0.00 O ATOM 1522 CB PRO A 112 97.563 -10.613 -5.279 1.00 0.00 C ATOM 1523 CG PRO A 112 97.962 -9.347 -5.953 1.00 0.00 C ATOM 1524 CD PRO A 112 97.178 -8.219 -5.280 1.00 0.00 C ATOM 0 HA PRO A 112 96.386 -10.845 -3.432 1.00 0.00 H new ATOM 0 HB2 PRO A 112 98.383 -11.331 -5.279 1.00 0.00 H new ATOM 0 HB3 PRO A 112 96.727 -11.084 -5.796 1.00 0.00 H new ATOM 0 HG2 PRO A 112 99.035 -9.181 -5.859 1.00 0.00 H new ATOM 0 HG3 PRO A 112 97.739 -9.390 -7.019 1.00 0.00 H new ATOM 0 HD2 PRO A 112 97.798 -7.334 -5.137 1.00 0.00 H new ATOM 0 HD3 PRO A 112 96.323 -7.914 -5.883 1.00 0.00 H new ATOM 1532 N LYS A 113 99.090 -9.314 -2.683 1.00 0.00 N ATOM 1533 CA LYS A 113 100.263 -9.349 -1.816 1.00 0.00 C ATOM 1534 C LYS A 113 99.886 -9.727 -0.398 1.00 0.00 C ATOM 1535 O LYS A 113 100.716 -10.226 0.364 1.00 0.00 O ATOM 1536 CB LYS A 113 100.932 -7.981 -1.790 1.00 0.00 C ATOM 1537 CG LYS A 113 102.211 -8.006 -2.631 1.00 0.00 C ATOM 1538 CD LYS A 113 103.309 -8.750 -1.863 1.00 0.00 C ATOM 1539 CE LYS A 113 104.100 -9.642 -2.825 1.00 0.00 C ATOM 1540 NZ LYS A 113 104.750 -8.798 -3.867 1.00 0.00 N ATOM 0 H LYS A 113 98.891 -8.399 -3.088 1.00 0.00 H new ATOM 0 HA LYS A 113 100.946 -10.098 -2.216 1.00 0.00 H new ATOM 0 HB2 LYS A 113 100.248 -7.225 -2.176 1.00 0.00 H new ATOM 0 HB3 LYS A 113 101.168 -7.702 -0.763 1.00 0.00 H new ATOM 0 HG2 LYS A 113 102.022 -8.497 -3.586 1.00 0.00 H new ATOM 0 HG3 LYS A 113 102.533 -6.989 -2.854 1.00 0.00 H new ATOM 0 HD2 LYS A 113 103.977 -8.036 -1.382 1.00 0.00 H new ATOM 0 HD3 LYS A 113 102.866 -9.355 -1.072 1.00 0.00 H new ATOM 0 HE2 LYS A 113 104.854 -10.206 -2.277 1.00 0.00 H new ATOM 0 HE3 LYS A 113 103.436 -10.369 -3.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 105.431 -9.372 -4.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 104.026 -8.426 -4.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 105.248 -8.006 -3.412 1.00 0.00 H new ATOM 1554 N THR A 114 98.639 -9.487 -0.045 1.00 0.00 N ATOM 1555 CA THR A 114 98.174 -9.813 1.288 1.00 0.00 C ATOM 1556 C THR A 114 98.340 -11.304 1.542 1.00 0.00 C ATOM 1557 O THR A 114 98.762 -11.715 2.624 1.00 0.00 O ATOM 1558 CB THR A 114 96.700 -9.437 1.430 1.00 0.00 C ATOM 1559 OG1 THR A 114 96.545 -8.040 1.228 1.00 0.00 O ATOM 1560 CG2 THR A 114 96.203 -9.812 2.827 1.00 0.00 C ATOM 0 H THR A 114 97.936 -9.072 -0.656 1.00 0.00 H new ATOM 0 HA THR A 114 98.763 -9.253 2.015 1.00 0.00 H new ATOM 0 HB THR A 114 96.117 -9.978 0.685 1.00 0.00 H new ATOM 0 HG1 THR A 114 95.599 -7.799 1.317 1.00 0.00 H new ATOM 0 HG21 THR A 114 95.151 -9.542 2.924 1.00 0.00 H new ATOM 0 HG22 THR A 114 96.317 -10.885 2.978 1.00 0.00 H new ATOM 0 HG23 THR A 114 96.786 -9.276 3.576 1.00 0.00 H new ATOM 1568 N ASP A 115 98.006 -12.113 0.539 1.00 0.00 N ATOM 1569 CA ASP A 115 98.122 -13.570 0.677 1.00 0.00 C ATOM 1570 C ASP A 115 97.419 -14.067 1.948 1.00 0.00 C ATOM 1571 O ASP A 115 97.452 -15.258 2.254 1.00 0.00 O ATOM 1572 CB ASP A 115 99.601 -13.972 0.730 1.00 0.00 C ATOM 1573 CG ASP A 115 99.763 -15.456 0.405 1.00 0.00 C ATOM 1574 OD1 ASP A 115 98.961 -15.973 -0.356 1.00 0.00 O ATOM 1575 OD2 ASP A 115 100.687 -16.057 0.927 1.00 0.00 O ATOM 0 H ASP A 115 97.658 -11.795 -0.366 1.00 0.00 H new ATOM 0 HA ASP A 115 97.641 -14.027 -0.188 1.00 0.00 H new ATOM 0 HB2 ASP A 115 100.172 -13.374 0.020 1.00 0.00 H new ATOM 0 HB3 ASP A 115 100.005 -13.764 1.721 1.00 0.00 H new ATOM 1580 N GLN A 116 96.818 -13.147 2.702 1.00 0.00 N ATOM 1581 CA GLN A 116 96.150 -13.490 3.953 1.00 0.00 C ATOM 1582 C GLN A 116 94.777 -12.833 4.020 1.00 0.00 C ATOM 1583 O GLN A 116 94.305 -12.471 5.093 1.00 0.00 O ATOM 1584 CB GLN A 116 97.002 -13.036 5.140 1.00 0.00 C ATOM 1585 CG GLN A 116 98.331 -13.791 5.122 1.00 0.00 C ATOM 1586 CD GLN A 116 99.154 -13.429 6.352 1.00 0.00 C ATOM 1587 OE1 GLN A 116 98.686 -13.588 7.480 1.00 0.00 O ATOM 1588 NE2 GLN A 116 100.356 -12.945 6.204 1.00 0.00 N ATOM 0 H GLN A 116 96.781 -12.156 2.465 1.00 0.00 H new ATOM 0 HA GLN A 116 96.023 -14.572 3.995 1.00 0.00 H new ATOM 0 HB2 GLN A 116 97.179 -11.962 5.086 1.00 0.00 H new ATOM 0 HB3 GLN A 116 96.475 -13.225 6.075 1.00 0.00 H new ATOM 0 HG2 GLN A 116 98.148 -14.865 5.100 1.00 0.00 H new ATOM 0 HG3 GLN A 116 98.887 -13.544 4.217 1.00 0.00 H new ATOM 0 HE21 GLN A 116 100.742 -12.814 5.269 1.00 0.00 H new ATOM 0 HE22 GLN A 116 100.911 -12.697 7.023 1.00 0.00 H new ATOM 1597 N ASP A 117 94.160 -12.653 2.865 1.00 0.00 N ATOM 1598 CA ASP A 117 92.860 -11.999 2.804 1.00 0.00 C ATOM 1599 C ASP A 117 91.850 -12.699 3.711 1.00 0.00 C ATOM 1600 O ASP A 117 91.024 -12.044 4.343 1.00 0.00 O ATOM 1601 CB ASP A 117 92.332 -12.019 1.369 1.00 0.00 C ATOM 1602 CG ASP A 117 90.976 -11.324 1.301 1.00 0.00 C ATOM 1603 OD1 ASP A 117 90.521 -10.848 2.330 1.00 0.00 O ATOM 1604 OD2 ASP A 117 90.407 -11.286 0.224 1.00 0.00 O ATOM 0 H ASP A 117 94.533 -12.947 1.962 1.00 0.00 H new ATOM 0 HA ASP A 117 92.987 -10.971 3.142 1.00 0.00 H new ATOM 0 HB2 ASP A 117 93.039 -11.520 0.706 1.00 0.00 H new ATOM 0 HB3 ASP A 117 92.240 -13.048 1.021 1.00 0.00 H new ATOM 1609 N GLU A 118 91.909 -14.024 3.752 1.00 0.00 N ATOM 1610 CA GLU A 118 90.980 -14.793 4.566 1.00 0.00 C ATOM 1611 C GLU A 118 91.152 -14.452 6.043 1.00 0.00 C ATOM 1612 O GLU A 118 90.180 -14.218 6.763 1.00 0.00 O ATOM 1613 CB GLU A 118 91.255 -16.289 4.357 1.00 0.00 C ATOM 1614 CG GLU A 118 90.900 -16.708 2.919 1.00 0.00 C ATOM 1615 CD GLU A 118 92.089 -16.480 1.982 1.00 0.00 C ATOM 1616 OE1 GLU A 118 93.058 -15.878 2.410 1.00 0.00 O ATOM 1617 OE2 GLU A 118 92.009 -16.915 0.843 1.00 0.00 O ATOM 0 H GLU A 118 92.586 -14.584 3.234 1.00 0.00 H new ATOM 0 HA GLU A 118 89.960 -14.549 4.267 1.00 0.00 H new ATOM 0 HB2 GLU A 118 92.305 -16.503 4.555 1.00 0.00 H new ATOM 0 HB3 GLU A 118 90.671 -16.875 5.067 1.00 0.00 H new ATOM 0 HG2 GLU A 118 90.613 -17.759 2.901 1.00 0.00 H new ATOM 0 HG3 GLU A 118 90.040 -16.136 2.570 1.00 0.00 H new ATOM 1624 N GLU A 119 92.400 -14.404 6.485 1.00 0.00 N ATOM 1625 CA GLU A 119 92.695 -14.078 7.863 1.00 0.00 C ATOM 1626 C GLU A 119 92.463 -12.596 8.120 1.00 0.00 C ATOM 1627 O GLU A 119 92.074 -12.192 9.213 1.00 0.00 O ATOM 1628 CB GLU A 119 94.141 -14.452 8.203 1.00 0.00 C ATOM 1629 CG GLU A 119 94.313 -15.977 8.156 1.00 0.00 C ATOM 1630 CD GLU A 119 94.459 -16.451 6.712 1.00 0.00 C ATOM 1631 OE1 GLU A 119 94.528 -15.609 5.833 1.00 0.00 O ATOM 1632 OE2 GLU A 119 94.498 -17.653 6.507 1.00 0.00 O ATOM 0 H GLU A 119 93.220 -14.587 5.907 1.00 0.00 H new ATOM 0 HA GLU A 119 92.026 -14.653 8.503 1.00 0.00 H new ATOM 0 HB2 GLU A 119 94.823 -13.979 7.497 1.00 0.00 H new ATOM 0 HB3 GLU A 119 94.399 -14.079 9.194 1.00 0.00 H new ATOM 0 HG2 GLU A 119 95.191 -16.268 8.732 1.00 0.00 H new ATOM 0 HG3 GLU A 119 93.453 -16.461 8.619 1.00 0.00 H new ATOM 1639 N HIS A 120 92.732 -11.789 7.103 1.00 0.00 N ATOM 1640 CA HIS A 120 92.577 -10.346 7.221 1.00 0.00 C ATOM 1641 C HIS A 120 91.127 -10.009 7.541 1.00 0.00 C ATOM 1642 O HIS A 120 90.846 -9.215 8.436 1.00 0.00 O ATOM 1643 CB HIS A 120 92.987 -9.673 5.909 1.00 0.00 C ATOM 1644 CG HIS A 120 93.132 -8.192 6.126 1.00 0.00 C ATOM 1645 ND1 HIS A 120 94.316 -7.637 6.579 1.00 0.00 N ATOM 1646 CD2 HIS A 120 92.262 -7.141 5.963 1.00 0.00 C ATOM 1647 CE1 HIS A 120 94.135 -6.308 6.670 1.00 0.00 C ATOM 1648 NE2 HIS A 120 92.899 -5.950 6.307 1.00 0.00 N ATOM 0 H HIS A 120 93.057 -12.107 6.190 1.00 0.00 H new ATOM 0 HA HIS A 120 93.216 -9.981 8.026 1.00 0.00 H new ATOM 0 HB2 HIS A 120 93.928 -10.092 5.552 1.00 0.00 H new ATOM 0 HB3 HIS A 120 92.239 -9.867 5.140 1.00 0.00 H new ATOM 0 HD2 HIS A 120 91.241 -7.225 5.621 1.00 0.00 H new ATOM 0 HE1 HIS A 120 94.895 -5.614 6.997 1.00 0.00 H new ATOM 0 HE2 HIS A 120 92.507 -5.009 6.286 1.00 0.00 H new ATOM 1656 N CYS A 121 90.208 -10.635 6.813 1.00 0.00 N ATOM 1657 CA CYS A 121 88.787 -10.410 7.035 1.00 0.00 C ATOM 1658 C CYS A 121 88.401 -10.868 8.434 1.00 0.00 C ATOM 1659 O CYS A 121 87.698 -10.164 9.157 1.00 0.00 O ATOM 1660 CB CYS A 121 87.956 -11.168 5.997 1.00 0.00 C ATOM 1661 SG CYS A 121 86.198 -10.813 6.249 1.00 0.00 S ATOM 0 H CYS A 121 90.422 -11.298 6.068 1.00 0.00 H new ATOM 0 HA CYS A 121 88.586 -9.343 6.936 1.00 0.00 H new ATOM 0 HB2 CYS A 121 88.256 -10.874 4.991 1.00 0.00 H new ATOM 0 HB3 CYS A 121 88.137 -12.239 6.083 1.00 0.00 H new ATOM 0 HG CYS A 121 85.935 -10.805 7.522 1.00 0.00 H new ATOM 1667 N ARG A 122 88.873 -12.056 8.805 1.00 0.00 N ATOM 1668 CA ARG A 122 88.570 -12.600 10.125 1.00 0.00 C ATOM 1669 C ARG A 122 89.127 -11.692 11.209 1.00 0.00 C ATOM 1670 O ARG A 122 88.475 -11.446 12.225 1.00 0.00 O ATOM 1671 CB ARG A 122 89.174 -14.001 10.266 1.00 0.00 C ATOM 1672 CG ARG A 122 88.369 -15.005 9.434 1.00 0.00 C ATOM 1673 CD ARG A 122 87.216 -15.562 10.271 1.00 0.00 C ATOM 1674 NE ARG A 122 87.742 -16.326 11.397 1.00 0.00 N ATOM 1675 CZ ARG A 122 87.012 -16.535 12.486 1.00 0.00 C ATOM 1676 NH1 ARG A 122 87.503 -17.227 13.477 1.00 0.00 N ATOM 1677 NH2 ARG A 122 85.806 -16.045 12.567 1.00 0.00 N ATOM 0 H ARG A 122 89.458 -12.652 8.220 1.00 0.00 H new ATOM 0 HA ARG A 122 87.487 -12.662 10.236 1.00 0.00 H new ATOM 0 HB2 ARG A 122 90.213 -13.993 9.936 1.00 0.00 H new ATOM 0 HB3 ARG A 122 89.175 -14.302 11.314 1.00 0.00 H new ATOM 0 HG2 ARG A 122 87.980 -14.520 8.538 1.00 0.00 H new ATOM 0 HG3 ARG A 122 89.015 -15.817 9.102 1.00 0.00 H new ATOM 0 HD2 ARG A 122 86.592 -14.746 10.634 1.00 0.00 H new ATOM 0 HD3 ARG A 122 86.581 -16.198 9.654 1.00 0.00 H new ATOM 0 HE ARG A 122 88.687 -16.706 11.347 1.00 0.00 H new ATOM 0 HH11 ARG A 122 88.447 -17.607 13.415 1.00 0.00 H new ATOM 0 HH12 ARG A 122 86.942 -17.388 14.314 1.00 0.00 H new ATOM 0 HH21 ARG A 122 85.423 -15.501 11.794 1.00 0.00 H new ATOM 0 HH22 ARG A 122 85.245 -16.206 13.404 1.00 0.00 H new ATOM 1691 N LYS A 123 90.330 -11.180 10.982 1.00 0.00 N ATOM 1692 CA LYS A 123 90.954 -10.283 11.946 1.00 0.00 C ATOM 1693 C LYS A 123 90.186 -8.971 12.009 1.00 0.00 C ATOM 1694 O LYS A 123 89.913 -8.453 13.080 1.00 0.00 O ATOM 1695 CB LYS A 123 92.411 -10.002 11.548 1.00 0.00 C ATOM 1696 CG LYS A 123 93.388 -10.820 12.407 1.00 0.00 C ATOM 1697 CD LYS A 123 93.296 -12.298 12.036 1.00 0.00 C ATOM 1698 CE LYS A 123 93.955 -13.139 13.129 1.00 0.00 C ATOM 1699 NZ LYS A 123 94.568 -14.351 12.518 1.00 0.00 N ATOM 0 H LYS A 123 90.888 -11.368 10.149 1.00 0.00 H new ATOM 0 HA LYS A 123 90.937 -10.761 12.925 1.00 0.00 H new ATOM 0 HB2 LYS A 123 92.557 -10.245 10.495 1.00 0.00 H new ATOM 0 HB3 LYS A 123 92.624 -8.939 11.662 1.00 0.00 H new ATOM 0 HG2 LYS A 123 94.406 -10.461 12.256 1.00 0.00 H new ATOM 0 HG3 LYS A 123 93.156 -10.686 13.464 1.00 0.00 H new ATOM 0 HD2 LYS A 123 92.253 -12.590 11.917 1.00 0.00 H new ATOM 0 HD3 LYS A 123 93.788 -12.475 11.080 1.00 0.00 H new ATOM 0 HE2 LYS A 123 94.716 -12.553 13.645 1.00 0.00 H new ATOM 0 HE3 LYS A 123 93.216 -13.429 13.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 95.017 -14.925 13.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 93.831 -14.912 12.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 95.285 -14.064 11.821 1.00 0.00 H new ATOM 1713 N VAL A 124 89.814 -8.442 10.865 1.00 0.00 N ATOM 1714 CA VAL A 124 89.067 -7.208 10.850 1.00 0.00 C ATOM 1715 C VAL A 124 87.717 -7.411 11.516 1.00 0.00 C ATOM 1716 O VAL A 124 87.238 -6.547 12.251 1.00 0.00 O ATOM 1717 CB VAL A 124 88.887 -6.723 9.417 1.00 0.00 C ATOM 1718 CG1 VAL A 124 87.903 -5.555 9.391 1.00 0.00 C ATOM 1719 CG2 VAL A 124 90.240 -6.259 8.879 1.00 0.00 C ATOM 0 H VAL A 124 90.013 -8.840 9.947 1.00 0.00 H new ATOM 0 HA VAL A 124 89.620 -6.450 11.406 1.00 0.00 H new ATOM 0 HB VAL A 124 88.499 -7.533 8.800 1.00 0.00 H new ATOM 0 HG11 VAL A 124 87.776 -5.209 8.365 1.00 0.00 H new ATOM 0 HG12 VAL A 124 86.941 -5.881 9.786 1.00 0.00 H new ATOM 0 HG13 VAL A 124 88.289 -4.740 10.003 1.00 0.00 H new ATOM 0 HG21 VAL A 124 90.123 -5.909 7.853 1.00 0.00 H new ATOM 0 HG22 VAL A 124 90.618 -5.446 9.499 1.00 0.00 H new ATOM 0 HG23 VAL A 124 90.945 -7.090 8.901 1.00 0.00 H new ATOM 1729 N ASN A 125 87.100 -8.554 11.236 1.00 0.00 N ATOM 1730 CA ASN A 125 85.790 -8.850 11.792 1.00 0.00 C ATOM 1731 C ASN A 125 85.827 -8.923 13.311 1.00 0.00 C ATOM 1732 O ASN A 125 84.921 -8.425 13.982 1.00 0.00 O ATOM 1733 CB ASN A 125 85.269 -10.173 11.239 1.00 0.00 C ATOM 1734 CG ASN A 125 84.965 -10.033 9.752 1.00 0.00 C ATOM 1735 OD1 ASN A 125 85.427 -10.840 8.947 1.00 0.00 O ATOM 1736 ND2 ASN A 125 84.225 -9.042 9.336 1.00 0.00 N ATOM 0 H ASN A 125 87.483 -9.282 10.633 1.00 0.00 H new ATOM 0 HA ASN A 125 85.123 -8.038 11.503 1.00 0.00 H new ATOM 0 HB2 ASN A 125 86.009 -10.958 11.395 1.00 0.00 H new ATOM 0 HB3 ASN A 125 84.369 -10.472 11.776 1.00 0.00 H new ATOM 0 HD21 ASN A 125 84.028 -8.935 8.341 1.00 0.00 H new ATOM 0 HD22 ASN A 125 83.843 -8.374 10.006 1.00 0.00 H new ATOM 1743 N GLU A 126 86.865 -9.554 13.852 1.00 0.00 N ATOM 1744 CA GLU A 126 86.986 -9.690 15.297 1.00 0.00 C ATOM 1745 C GLU A 126 87.262 -8.332 15.928 1.00 0.00 C ATOM 1746 O GLU A 126 86.806 -8.049 17.038 1.00 0.00 O ATOM 1747 CB GLU A 126 88.095 -10.704 15.645 1.00 0.00 C ATOM 1748 CG GLU A 126 89.452 -10.013 15.856 1.00 0.00 C ATOM 1749 CD GLU A 126 89.546 -9.437 17.262 1.00 0.00 C ATOM 1750 OE1 GLU A 126 89.150 -10.125 18.186 1.00 0.00 O ATOM 1751 OE2 GLU A 126 90.016 -8.318 17.395 1.00 0.00 O ATOM 0 H GLU A 126 87.625 -9.974 13.318 1.00 0.00 H new ATOM 0 HA GLU A 126 86.047 -10.067 15.702 1.00 0.00 H new ATOM 0 HB2 GLU A 126 87.820 -11.249 16.548 1.00 0.00 H new ATOM 0 HB3 GLU A 126 88.181 -11.438 14.844 1.00 0.00 H new ATOM 0 HG2 GLU A 126 90.259 -10.728 15.695 1.00 0.00 H new ATOM 0 HG3 GLU A 126 89.579 -9.217 15.122 1.00 0.00 H new ATOM 1758 N TYR A 127 88.011 -7.493 15.218 1.00 0.00 N ATOM 1759 CA TYR A 127 88.334 -6.166 15.732 1.00 0.00 C ATOM 1760 C TYR A 127 87.084 -5.302 15.851 1.00 0.00 C ATOM 1761 O TYR A 127 86.839 -4.685 16.889 1.00 0.00 O ATOM 1762 CB TYR A 127 89.346 -5.474 14.809 1.00 0.00 C ATOM 1763 CG TYR A 127 90.753 -5.718 15.311 1.00 0.00 C ATOM 1764 CD1 TYR A 127 91.681 -6.411 14.521 1.00 0.00 C ATOM 1765 CD2 TYR A 127 91.131 -5.248 16.576 1.00 0.00 C ATOM 1766 CE1 TYR A 127 92.980 -6.631 14.993 1.00 0.00 C ATOM 1767 CE2 TYR A 127 92.430 -5.469 17.047 1.00 0.00 C ATOM 1768 CZ TYR A 127 93.353 -6.161 16.257 1.00 0.00 C ATOM 1769 OH TYR A 127 94.635 -6.379 16.723 1.00 0.00 O ATOM 0 H TYR A 127 88.400 -7.704 14.299 1.00 0.00 H new ATOM 0 HA TYR A 127 88.767 -6.289 16.725 1.00 0.00 H new ATOM 0 HB2 TYR A 127 89.243 -5.853 13.792 1.00 0.00 H new ATOM 0 HB3 TYR A 127 89.144 -4.403 14.772 1.00 0.00 H new ATOM 0 HD1 TYR A 127 91.393 -6.776 13.546 1.00 0.00 H new ATOM 0 HD2 TYR A 127 90.419 -4.715 17.188 1.00 0.00 H new ATOM 0 HE1 TYR A 127 93.694 -7.163 14.382 1.00 0.00 H new ATOM 0 HE2 TYR A 127 92.720 -5.105 18.022 1.00 0.00 H new ATOM 0 HH TYR A 127 95.256 -6.416 15.966 1.00 0.00 H new ATOM 1779 N LEU A 128 86.294 -5.275 14.791 1.00 0.00 N ATOM 1780 CA LEU A 128 85.066 -4.495 14.785 1.00 0.00 C ATOM 1781 C LEU A 128 84.046 -5.087 15.753 1.00 0.00 C ATOM 1782 O LEU A 128 83.303 -4.359 16.410 1.00 0.00 O ATOM 1783 CB LEU A 128 84.485 -4.450 13.370 1.00 0.00 C ATOM 1784 CG LEU A 128 85.375 -3.587 12.467 1.00 0.00 C ATOM 1785 CD1 LEU A 128 84.905 -3.721 11.019 1.00 0.00 C ATOM 1786 CD2 LEU A 128 85.300 -2.111 12.887 1.00 0.00 C ATOM 0 H LEU A 128 86.479 -5.782 13.926 1.00 0.00 H new ATOM 0 HA LEU A 128 85.297 -3.480 15.109 1.00 0.00 H new ATOM 0 HB2 LEU A 128 84.412 -5.459 12.965 1.00 0.00 H new ATOM 0 HB3 LEU A 128 83.474 -4.043 13.395 1.00 0.00 H new ATOM 0 HG LEU A 128 86.406 -3.929 12.561 1.00 0.00 H new ATOM 0 HD11 LEU A 128 85.535 -3.109 10.374 1.00 0.00 H new ATOM 0 HD12 LEU A 128 84.973 -4.764 10.709 1.00 0.00 H new ATOM 0 HD13 LEU A 128 83.871 -3.386 10.940 1.00 0.00 H new ATOM 0 HD21 LEU A 128 85.938 -1.514 12.235 1.00 0.00 H new ATOM 0 HD22 LEU A 128 84.271 -1.762 12.806 1.00 0.00 H new ATOM 0 HD23 LEU A 128 85.638 -2.008 13.918 1.00 0.00 H new ATOM 1798 N ASN A 129 84.012 -6.413 15.824 1.00 0.00 N ATOM 1799 CA ASN A 129 83.073 -7.100 16.702 1.00 0.00 C ATOM 1800 C ASN A 129 83.659 -7.234 18.102 1.00 0.00 C ATOM 1801 O ASN A 129 83.011 -7.750 19.012 1.00 0.00 O ATOM 1802 CB ASN A 129 82.765 -8.487 16.138 1.00 0.00 C ATOM 1803 CG ASN A 129 81.930 -8.362 14.868 1.00 0.00 C ATOM 1804 OD1 ASN A 129 81.286 -7.337 14.644 1.00 0.00 O ATOM 1805 ND2 ASN A 129 81.909 -9.351 14.016 1.00 0.00 N ATOM 0 H ASN A 129 84.621 -7.031 15.287 1.00 0.00 H new ATOM 0 HA ASN A 129 82.153 -6.518 16.760 1.00 0.00 H new ATOM 0 HB2 ASN A 129 83.694 -9.015 15.921 1.00 0.00 H new ATOM 0 HB3 ASN A 129 82.228 -9.079 16.879 1.00 0.00 H new ATOM 0 HD21 ASN A 129 81.358 -9.276 13.161 1.00 0.00 H new ATOM 0 HD22 ASN A 129 82.444 -10.199 14.205 1.00 0.00 H new ATOM 1862 N PRO B 942 93.570 -13.214 -7.050 1.00 0.00 N ATOM 1863 CA PRO B 942 92.241 -12.546 -7.065 1.00 0.00 C ATOM 1864 C PRO B 942 91.858 -12.084 -8.464 1.00 0.00 C ATOM 1865 O PRO B 942 92.726 -11.883 -9.313 1.00 0.00 O ATOM 1866 CB PRO B 942 92.416 -11.360 -6.118 1.00 0.00 C ATOM 1867 CG PRO B 942 93.867 -11.032 -6.166 1.00 0.00 C ATOM 1868 CD PRO B 942 94.606 -12.338 -6.482 1.00 0.00 C ATOM 0 HA PRO B 942 91.438 -13.216 -6.758 1.00 0.00 H new ATOM 0 HB2 PRO B 942 91.810 -10.511 -6.434 1.00 0.00 H new ATOM 0 HB3 PRO B 942 92.103 -11.615 -5.105 1.00 0.00 H new ATOM 0 HG2 PRO B 942 94.068 -10.280 -6.929 1.00 0.00 H new ATOM 0 HG3 PRO B 942 94.202 -10.619 -5.214 1.00 0.00 H new ATOM 0 HD2 PRO B 942 95.419 -12.174 -7.189 1.00 0.00 H new ATOM 0 HD3 PRO B 942 95.046 -12.773 -5.585 1.00 0.00 H new ATOM 1876 N GLU B 943 90.561 -11.913 -8.700 1.00 0.00 N ATOM 1877 CA GLU B 943 90.093 -11.469 -10.005 1.00 0.00 C ATOM 1878 C GLU B 943 89.101 -10.315 -9.850 1.00 0.00 C ATOM 1879 O GLU B 943 88.331 -10.281 -8.888 1.00 0.00 O ATOM 1880 CB GLU B 943 89.432 -12.636 -10.748 1.00 0.00 C ATOM 1881 CG GLU B 943 88.283 -13.223 -9.916 1.00 0.00 C ATOM 1882 CD GLU B 943 86.946 -12.676 -10.405 1.00 0.00 C ATOM 1883 OE1 GLU B 943 86.932 -11.579 -10.926 1.00 0.00 O ATOM 1884 OE2 GLU B 943 85.955 -13.372 -10.259 1.00 0.00 O ATOM 0 H GLU B 943 89.824 -12.073 -8.013 1.00 0.00 H new ATOM 0 HA GLU B 943 90.947 -11.118 -10.583 1.00 0.00 H new ATOM 0 HB2 GLU B 943 89.053 -12.294 -11.711 1.00 0.00 H new ATOM 0 HB3 GLU B 943 90.172 -13.410 -10.953 1.00 0.00 H new ATOM 0 HG2 GLU B 943 88.289 -14.310 -9.991 1.00 0.00 H new ATOM 0 HG3 GLU B 943 88.423 -12.975 -8.864 1.00 0.00 H new ATOM 1891 N PRO B 944 89.095 -9.367 -10.765 1.00 0.00 N ATOM 1892 CA PRO B 944 88.159 -8.204 -10.693 1.00 0.00 C ATOM 1893 C PRO B 944 86.699 -8.590 -10.986 1.00 0.00 C ATOM 1894 O PRO B 944 86.442 -9.476 -11.800 1.00 0.00 O ATOM 1895 CB PRO B 944 88.692 -7.246 -11.758 1.00 0.00 C ATOM 1896 CG PRO B 944 89.411 -8.108 -12.740 1.00 0.00 C ATOM 1897 CD PRO B 944 89.975 -9.286 -11.951 1.00 0.00 C ATOM 0 HA PRO B 944 88.131 -7.774 -9.692 1.00 0.00 H new ATOM 0 HB2 PRO B 944 87.880 -6.699 -12.236 1.00 0.00 H new ATOM 0 HB3 PRO B 944 89.362 -6.505 -11.321 1.00 0.00 H new ATOM 0 HG2 PRO B 944 88.734 -8.453 -13.522 1.00 0.00 H new ATOM 0 HG3 PRO B 944 90.210 -7.553 -13.232 1.00 0.00 H new ATOM 0 HD2 PRO B 944 89.948 -10.207 -12.533 1.00 0.00 H new ATOM 0 HD3 PRO B 944 91.014 -9.118 -11.668 1.00 0.00 H new ATOM 1905 N PRO B 945 85.742 -7.936 -10.357 1.00 0.00 N ATOM 1906 CA PRO B 945 84.292 -8.224 -10.577 1.00 0.00 C ATOM 1907 C PRO B 945 83.814 -7.730 -11.937 1.00 0.00 C ATOM 1908 O PRO B 945 84.605 -7.221 -12.729 1.00 0.00 O ATOM 1909 CB PRO B 945 83.591 -7.476 -9.446 1.00 0.00 C ATOM 1910 CG PRO B 945 84.513 -6.365 -9.076 1.00 0.00 C ATOM 1911 CD PRO B 945 85.930 -6.854 -9.370 1.00 0.00 C ATOM 0 HA PRO B 945 84.082 -9.294 -10.572 1.00 0.00 H new ATOM 0 HB2 PRO B 945 82.623 -7.092 -9.769 1.00 0.00 H new ATOM 0 HB3 PRO B 945 83.406 -8.133 -8.596 1.00 0.00 H new ATOM 0 HG2 PRO B 945 84.287 -5.467 -9.650 1.00 0.00 H new ATOM 0 HG3 PRO B 945 84.404 -6.106 -8.023 1.00 0.00 H new ATOM 0 HD2 PRO B 945 86.553 -6.054 -9.770 1.00 0.00 H new ATOM 0 HD3 PRO B 945 86.421 -7.219 -8.468 1.00 0.00 H new ATOM 1919 N GLU B 946 82.520 -7.889 -12.203 1.00 0.00 N ATOM 1920 CA GLU B 946 81.955 -7.457 -13.470 1.00 0.00 C ATOM 1921 C GLU B 946 80.890 -6.381 -13.238 1.00 0.00 C ATOM 1922 O GLU B 946 80.211 -6.398 -12.212 1.00 0.00 O ATOM 1923 CB GLU B 946 81.345 -8.648 -14.213 1.00 0.00 C ATOM 1924 CG GLU B 946 82.459 -9.622 -14.603 1.00 0.00 C ATOM 1925 CD GLU B 946 83.339 -8.993 -15.678 1.00 0.00 C ATOM 1926 OE1 GLU B 946 82.922 -7.998 -16.247 1.00 0.00 O ATOM 1927 OE2 GLU B 946 84.418 -9.513 -15.915 1.00 0.00 O ATOM 0 H GLU B 946 81.850 -8.311 -11.560 1.00 0.00 H new ATOM 0 HA GLU B 946 82.754 -7.034 -14.080 1.00 0.00 H new ATOM 0 HB2 GLU B 946 80.612 -9.149 -13.581 1.00 0.00 H new ATOM 0 HB3 GLU B 946 80.817 -8.305 -15.103 1.00 0.00 H new ATOM 0 HG2 GLU B 946 83.059 -9.872 -13.728 1.00 0.00 H new ATOM 0 HG3 GLU B 946 82.029 -10.553 -14.971 1.00 0.00 H new ATOM 1934 N PRO B 947 80.720 -5.455 -14.160 1.00 0.00 N ATOM 1935 CA PRO B 947 79.700 -4.367 -14.010 1.00 0.00 C ATOM 1936 C PRO B 947 78.310 -4.904 -13.635 1.00 0.00 C ATOM 1937 O PRO B 947 77.782 -5.787 -14.313 1.00 0.00 O ATOM 1938 CB PRO B 947 79.633 -3.755 -15.416 1.00 0.00 C ATOM 1939 CG PRO B 947 80.950 -4.043 -16.057 1.00 0.00 C ATOM 1940 CD PRO B 947 81.480 -5.326 -15.427 1.00 0.00 C ATOM 0 HA PRO B 947 79.975 -3.672 -13.217 1.00 0.00 H new ATOM 0 HB2 PRO B 947 78.816 -4.190 -15.992 1.00 0.00 H new ATOM 0 HB3 PRO B 947 79.451 -2.682 -15.365 1.00 0.00 H new ATOM 0 HG2 PRO B 947 80.837 -4.160 -17.135 1.00 0.00 H new ATOM 0 HG3 PRO B 947 81.645 -3.219 -15.897 1.00 0.00 H new ATOM 0 HD2 PRO B 947 81.317 -6.185 -16.078 1.00 0.00 H new ATOM 0 HD3 PRO B 947 82.553 -5.265 -15.243 1.00 0.00 H new ATOM 1948 N PHE B 948 77.694 -4.344 -12.583 1.00 0.00 N ATOM 1949 CA PHE B 948 76.350 -4.773 -12.203 1.00 0.00 C ATOM 1950 C PHE B 948 75.646 -3.626 -11.488 1.00 0.00 C ATOM 1951 O PHE B 948 76.279 -2.881 -10.750 1.00 0.00 O ATOM 1952 CB PHE B 948 76.417 -5.991 -11.282 1.00 0.00 C ATOM 1953 CG PHE B 948 76.873 -5.568 -9.908 1.00 0.00 C ATOM 1954 CD1 PHE B 948 75.926 -5.136 -8.972 1.00 0.00 C ATOM 1955 CD2 PHE B 948 78.229 -5.613 -9.562 1.00 0.00 C ATOM 1956 CE1 PHE B 948 76.331 -4.756 -7.691 1.00 0.00 C ATOM 1957 CE2 PHE B 948 78.634 -5.231 -8.277 1.00 0.00 C ATOM 1958 CZ PHE B 948 77.684 -4.800 -7.342 1.00 0.00 C ATOM 0 H PHE B 948 78.096 -3.612 -11.997 1.00 0.00 H new ATOM 0 HA PHE B 948 75.795 -5.049 -13.100 1.00 0.00 H new ATOM 0 HB2 PHE B 948 75.438 -6.466 -11.220 1.00 0.00 H new ATOM 0 HB3 PHE B 948 77.105 -6.731 -11.692 1.00 0.00 H new ATOM 0 HD1 PHE B 948 74.881 -5.097 -9.241 1.00 0.00 H new ATOM 0 HD2 PHE B 948 78.961 -5.942 -10.285 1.00 0.00 H new ATOM 0 HE1 PHE B 948 75.598 -4.428 -6.969 1.00 0.00 H new ATOM 0 HE2 PHE B 948 79.679 -5.269 -8.007 1.00 0.00 H new ATOM 0 HZ PHE B 948 77.997 -4.502 -6.352 1.00 0.00 H new ATOM 1968 N GLU B 949 74.348 -3.481 -11.709 1.00 0.00 N ATOM 1969 CA GLU B 949 73.603 -2.403 -11.079 1.00 0.00 C ATOM 1970 C GLU B 949 73.095 -2.828 -9.704 1.00 0.00 C ATOM 1971 O GLU B 949 72.507 -3.898 -9.553 1.00 0.00 O ATOM 1972 CB GLU B 949 72.413 -2.028 -11.965 1.00 0.00 C ATOM 1973 CG GLU B 949 72.894 -1.780 -13.400 1.00 0.00 C ATOM 1974 CD GLU B 949 71.779 -1.139 -14.220 1.00 0.00 C ATOM 1975 OE1 GLU B 949 70.670 -1.058 -13.717 1.00 0.00 O ATOM 1976 OE2 GLU B 949 72.050 -0.736 -15.340 1.00 0.00 O ATOM 0 H GLU B 949 73.794 -4.089 -12.313 1.00 0.00 H new ATOM 0 HA GLU B 949 74.265 -1.546 -10.956 1.00 0.00 H new ATOM 0 HB2 GLU B 949 71.672 -2.827 -11.953 1.00 0.00 H new ATOM 0 HB3 GLU B 949 71.925 -1.135 -11.576 1.00 0.00 H new ATOM 0 HG2 GLU B 949 73.770 -1.131 -13.392 1.00 0.00 H new ATOM 0 HG3 GLU B 949 73.199 -2.721 -13.858 1.00 0.00 H new ATOM 1983 N TYR B 950 73.308 -1.971 -8.708 1.00 0.00 N ATOM 1984 CA TYR B 950 72.850 -2.252 -7.357 1.00 0.00 C ATOM 1985 C TYR B 950 71.501 -1.605 -7.124 1.00 0.00 C ATOM 1986 O TYR B 950 71.384 -0.385 -7.015 1.00 0.00 O ATOM 1987 CB TYR B 950 73.864 -1.719 -6.353 1.00 0.00 C ATOM 1988 CG TYR B 950 73.281 -1.785 -4.974 1.00 0.00 C ATOM 1989 CD1 TYR B 950 73.278 -2.992 -4.270 1.00 0.00 C ATOM 1990 CD2 TYR B 950 72.757 -0.632 -4.395 1.00 0.00 C ATOM 1991 CE1 TYR B 950 72.745 -3.044 -2.981 1.00 0.00 C ATOM 1992 CE2 TYR B 950 72.220 -0.678 -3.110 1.00 0.00 C ATOM 1993 CZ TYR B 950 72.214 -1.885 -2.397 1.00 0.00 C ATOM 1994 OH TYR B 950 71.686 -1.934 -1.124 1.00 0.00 O ATOM 0 H TYR B 950 73.793 -1.080 -8.814 1.00 0.00 H new ATOM 0 HA TYR B 950 72.750 -3.330 -7.228 1.00 0.00 H new ATOM 0 HB2 TYR B 950 74.782 -2.305 -6.400 1.00 0.00 H new ATOM 0 HB3 TYR B 950 74.130 -0.691 -6.599 1.00 0.00 H new ATOM 0 HD1 TYR B 950 73.687 -3.883 -4.722 1.00 0.00 H new ATOM 0 HD2 TYR B 950 72.767 0.299 -4.943 1.00 0.00 H new ATOM 0 HE1 TYR B 950 72.742 -3.975 -2.434 1.00 0.00 H new ATOM 0 HE2 TYR B 950 71.809 0.215 -2.664 1.00 0.00 H new ATOM 0 HH TYR B 950 71.362 -1.045 -0.870 1.00 0.00 H new ATOM 2004 N ILE B 951 70.486 -2.448 -7.045 1.00 0.00 N ATOM 2005 CA ILE B 951 69.137 -1.987 -6.825 1.00 0.00 C ATOM 2006 C ILE B 951 68.518 -2.750 -5.673 1.00 0.00 C ATOM 2007 O ILE B 951 68.518 -3.980 -5.661 1.00 0.00 O ATOM 2008 CB ILE B 951 68.304 -2.199 -8.088 1.00 0.00 C ATOM 2009 CG1 ILE B 951 66.899 -1.652 -7.848 1.00 0.00 C ATOM 2010 CG2 ILE B 951 68.224 -3.688 -8.420 1.00 0.00 C ATOM 2011 CD1 ILE B 951 66.147 -1.547 -9.176 1.00 0.00 C ATOM 0 H ILE B 951 70.577 -3.460 -7.131 1.00 0.00 H new ATOM 0 HA ILE B 951 69.158 -0.924 -6.584 1.00 0.00 H new ATOM 0 HB ILE B 951 68.770 -1.678 -8.924 1.00 0.00 H new ATOM 0 HG12 ILE B 951 66.357 -2.305 -7.164 1.00 0.00 H new ATOM 0 HG13 ILE B 951 66.957 -0.672 -7.374 1.00 0.00 H new ATOM 0 HG21 ILE B 951 67.628 -3.828 -9.322 1.00 0.00 H new ATOM 0 HG22 ILE B 951 69.228 -4.079 -8.584 1.00 0.00 H new ATOM 0 HG23 ILE B 951 67.758 -4.221 -7.591 1.00 0.00 H new ATOM 0 HD11 ILE B 951 65.145 -1.156 -8.997 1.00 0.00 H new ATOM 0 HD12 ILE B 951 66.684 -0.876 -9.846 1.00 0.00 H new ATOM 0 HD13 ILE B 951 66.075 -2.534 -9.632 1.00 0.00 H new ATOM 2023 N ASP B 952 68.014 -2.010 -4.702 1.00 0.00 N ATOM 2024 CA ASP B 952 67.404 -2.622 -3.532 1.00 0.00 C ATOM 2025 C ASP B 952 66.304 -3.579 -3.948 1.00 0.00 C ATOM 2026 O ASP B 952 65.120 -3.238 -3.922 1.00 0.00 O ATOM 2027 CB ASP B 952 66.818 -1.535 -2.634 1.00 0.00 C ATOM 2028 CG ASP B 952 65.944 -2.157 -1.546 1.00 0.00 C ATOM 2029 OD1 ASP B 952 64.756 -2.305 -1.780 1.00 0.00 O ATOM 2030 OD2 ASP B 952 66.475 -2.468 -0.493 1.00 0.00 O ATOM 0 H ASP B 952 68.014 -0.990 -4.698 1.00 0.00 H new ATOM 0 HA ASP B 952 68.168 -3.178 -2.988 1.00 0.00 H new ATOM 0 HB2 ASP B 952 67.623 -0.958 -2.178 1.00 0.00 H new ATOM 0 HB3 ASP B 952 66.227 -0.840 -3.231 1.00 0.00 H new ATOM 2035 N ASP B 953 66.710 -4.780 -4.334 1.00 0.00 N ATOM 2036 CA ASP B 953 65.755 -5.800 -4.751 1.00 0.00 C ATOM 2037 C ASP B 953 65.171 -6.522 -3.541 1.00 0.00 C ATOM 2038 O ASP B 953 65.909 -6.750 -2.597 1.00 0.00 O ATOM 2039 CB ASP B 953 66.442 -6.811 -5.671 1.00 0.00 C ATOM 2040 CG ASP B 953 67.654 -7.412 -4.969 1.00 0.00 C ATOM 2041 OD1 ASP B 953 67.934 -7.001 -3.855 1.00 0.00 O ATOM 2042 OD2 ASP B 953 68.286 -8.274 -5.556 1.00 0.00 O ATOM 2043 OXT ASP B 953 63.992 -6.835 -3.576 1.00 0.00 O ATOM 0 H ASP B 953 67.687 -5.072 -4.368 1.00 0.00 H new ATOM 0 HA ASP B 953 64.943 -5.311 -5.289 1.00 0.00 H new ATOM 0 HB2 ASP B 953 65.742 -7.600 -5.946 1.00 0.00 H new ATOM 0 HB3 ASP B 953 66.751 -6.323 -6.595 1.00 0.00 H new