USER MOD reduce.3.24.130724 H: found=0, std=0, add=890, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 890 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.174 USER MOD Single : A 29 SER OG : rot 68:sc= -0.166! USER MOD Single : A 30 ASN : amide:sc= -0.0257 X(o=-0.026,f=-0.16) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ -170:sc= -0.0123 (180deg=-0.135) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.097) USER MOD Single : A 46 ASN : amide:sc= -0.0133 X(o=-0.013,f=-0.089) USER MOD Single : A 51 THR OG1 : rot 37:sc= 0.152 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 164:sc= -0.0276 (180deg=-0.252) USER MOD Single : A 63 LYS NZ :NH3+ -170:sc= -0.0155 (180deg=-0.152) USER MOD Single : A 64 LYS NZ :NH3+ 168:sc=-0.00939 (180deg=-0.161) USER MOD Single : A 70 LYS NZ :NH3+ -170:sc= 2.19 (180deg=1.65) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 ASN : amide:sc= -2.35! C(o=-2.3!,f=-4.5!) USER MOD Single : A 74 SER OG : rot 165:sc= -2.55! USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 164:sc= 1.25 (180deg=0.69) USER MOD Single : A 85 LYS NZ :NH3+ 159:sc= 1.21 (180deg=0.888) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ -161:sc= -0.0782 (180deg=-0.498) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 GLN :FLIP amide:sc= -0.306 F(o=-2.2!,f=-0.31) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 TYR OH : rot 30:sc= -0.316 USER MOD Single : A 107 THR OG1 : rot 161:sc= 1.35 USER MOD Single : A 109 THR OG1 : rot 25:sc= 1.2 USER MOD Single : A 110 SER OG : rot 180:sc= -0.0435 USER MOD Single : A 115 LYS NZ :NH3+ 152:sc= 1.25 (180deg=1.12) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 SER OG : rot 84:sc= -0.888! USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 21 -6.964 -13.547 4.284 1.00 0.86 N ATOM 2 CA MET A 21 -6.997 -12.080 4.073 1.00 0.65 C ATOM 3 C MET A 21 -5.997 -11.695 2.996 1.00 0.55 C ATOM 4 O MET A 21 -4.788 -11.841 3.189 1.00 0.75 O ATOM 5 CB MET A 21 -6.662 -11.332 5.368 1.00 0.73 C ATOM 6 CG MET A 21 -7.272 -11.948 6.615 1.00 1.04 C ATOM 7 SD MET A 21 -9.009 -12.390 6.402 1.00 1.93 S ATOM 8 CE MET A 21 -9.386 -13.056 8.022 1.00 2.17 C ATOM 0 HA MET A 21 -8.004 -11.802 3.761 1.00 0.65 H new ATOM 0 HB2 MET A 21 -5.579 -11.298 5.485 1.00 0.73 H new ATOM 0 HB3 MET A 21 -7.006 -10.302 5.279 1.00 0.73 H new ATOM 0 HG2 MET A 21 -6.706 -12.839 6.888 1.00 1.04 H new ATOM 0 HG3 MET A 21 -7.180 -11.246 7.443 1.00 1.04 H new ATOM 0 HE1 MET A 21 -10.428 -13.375 8.051 1.00 2.17 H new ATOM 0 HE2 MET A 21 -8.740 -13.910 8.224 1.00 2.17 H new ATOM 0 HE3 MET A 21 -9.220 -12.289 8.778 1.00 2.17 H new ATOM 17 N THR A 22 -6.489 -11.226 1.861 1.00 0.43 N ATOM 18 CA THR A 22 -5.611 -10.829 0.774 1.00 0.41 C ATOM 19 C THR A 22 -4.929 -9.507 1.111 1.00 0.35 C ATOM 20 O THR A 22 -5.583 -8.542 1.511 1.00 0.38 O ATOM 21 CB THR A 22 -6.384 -10.703 -0.550 1.00 0.52 C ATOM 22 OG1 THR A 22 -7.214 -11.858 -0.723 1.00 0.82 O ATOM 23 CG2 THR A 22 -5.429 -10.589 -1.729 1.00 0.63 C ATOM 0 H THR A 22 -7.484 -11.112 1.669 1.00 0.43 H new ATOM 0 HA THR A 22 -4.854 -11.604 0.649 1.00 0.41 H new ATOM 0 HB THR A 22 -6.995 -9.801 -0.511 1.00 0.52 H new ATOM 0 HG1 THR A 22 -7.710 -11.781 -1.565 1.00 0.82 H new ATOM 0 HG21 THR A 22 -6.001 -10.501 -2.653 1.00 0.63 H new ATOM 0 HG22 THR A 22 -4.802 -9.706 -1.605 1.00 0.63 H new ATOM 0 HG23 THR A 22 -4.800 -11.478 -1.775 1.00 0.63 H new ATOM 31 N LEU A 23 -3.612 -9.479 0.973 1.00 0.32 N ATOM 32 CA LEU A 23 -2.833 -8.323 1.372 1.00 0.29 C ATOM 33 C LEU A 23 -2.338 -7.551 0.157 1.00 0.26 C ATOM 34 O LEU A 23 -1.669 -8.103 -0.723 1.00 0.30 O ATOM 35 CB LEU A 23 -1.658 -8.771 2.241 1.00 0.30 C ATOM 36 CG LEU A 23 -2.048 -9.568 3.490 1.00 0.36 C ATOM 37 CD1 LEU A 23 -0.818 -9.963 4.286 1.00 0.39 C ATOM 38 CD2 LEU A 23 -3.000 -8.768 4.360 1.00 0.39 C ATOM 0 H LEU A 23 -3.062 -10.246 0.587 1.00 0.32 H new ATOM 0 HA LEU A 23 -3.471 -7.655 1.950 1.00 0.29 H new ATOM 0 HB2 LEU A 23 -0.987 -9.379 1.634 1.00 0.30 H new ATOM 0 HB3 LEU A 23 -1.097 -7.889 2.551 1.00 0.30 H new ATOM 0 HG LEU A 23 -2.554 -10.477 3.164 1.00 0.36 H new ATOM 0 HD11 LEU A 23 -1.121 -10.528 5.168 1.00 0.39 H new ATOM 0 HD12 LEU A 23 -0.166 -10.579 3.667 1.00 0.39 H new ATOM 0 HD13 LEU A 23 -0.282 -9.066 4.596 1.00 0.39 H new ATOM 0 HD21 LEU A 23 -3.265 -9.352 5.242 1.00 0.39 H new ATOM 0 HD22 LEU A 23 -2.518 -7.841 4.670 1.00 0.39 H new ATOM 0 HD23 LEU A 23 -3.902 -8.536 3.794 1.00 0.39 H new ATOM 50 N PHE A 24 -2.681 -6.275 0.112 1.00 0.25 N ATOM 51 CA PHE A 24 -2.310 -5.418 -1.001 1.00 0.25 C ATOM 52 C PHE A 24 -1.351 -4.343 -0.529 1.00 0.26 C ATOM 53 O PHE A 24 -1.391 -3.934 0.631 1.00 0.30 O ATOM 54 CB PHE A 24 -3.550 -4.753 -1.602 1.00 0.28 C ATOM 55 CG PHE A 24 -4.640 -5.714 -1.973 1.00 0.34 C ATOM 56 CD1 PHE A 24 -5.599 -6.084 -1.043 1.00 1.24 C ATOM 57 CD2 PHE A 24 -4.709 -6.246 -3.248 1.00 1.25 C ATOM 58 CE1 PHE A 24 -6.604 -6.964 -1.380 1.00 1.25 C ATOM 59 CE2 PHE A 24 -5.712 -7.126 -3.589 1.00 1.30 C ATOM 60 CZ PHE A 24 -6.660 -7.487 -2.656 1.00 0.51 C ATOM 0 H PHE A 24 -3.220 -5.807 0.840 1.00 0.25 H new ATOM 0 HA PHE A 24 -1.829 -6.033 -1.761 1.00 0.25 H new ATOM 0 HB2 PHE A 24 -3.945 -4.031 -0.887 1.00 0.28 H new ATOM 0 HB3 PHE A 24 -3.255 -4.194 -2.490 1.00 0.28 H new ATOM 0 HD1 PHE A 24 -5.558 -5.678 -0.043 1.00 1.24 H new ATOM 0 HD2 PHE A 24 -3.969 -5.968 -3.984 1.00 1.25 H new ATOM 0 HE1 PHE A 24 -7.346 -7.244 -0.647 1.00 1.25 H new ATOM 0 HE2 PHE A 24 -5.756 -7.533 -4.588 1.00 1.30 H new ATOM 0 HZ PHE A 24 -7.446 -8.178 -2.923 1.00 0.51 H new ATOM 70 N VAL A 25 -0.495 -3.882 -1.420 1.00 0.29 N ATOM 71 CA VAL A 25 0.421 -2.807 -1.092 1.00 0.31 C ATOM 72 C VAL A 25 0.640 -1.895 -2.299 1.00 0.30 C ATOM 73 O VAL A 25 1.060 -2.333 -3.370 1.00 0.35 O ATOM 74 CB VAL A 25 1.768 -3.343 -0.540 1.00 0.38 C ATOM 75 CG1 VAL A 25 2.374 -4.389 -1.460 1.00 1.08 C ATOM 76 CG2 VAL A 25 2.750 -2.202 -0.302 1.00 0.98 C ATOM 0 H VAL A 25 -0.415 -4.234 -2.374 1.00 0.29 H new ATOM 0 HA VAL A 25 -0.036 -2.217 -0.298 1.00 0.31 H new ATOM 0 HB VAL A 25 1.560 -3.824 0.416 1.00 0.38 H new ATOM 0 HG11 VAL A 25 3.316 -4.741 -1.040 1.00 1.08 H new ATOM 0 HG12 VAL A 25 1.686 -5.228 -1.560 1.00 1.08 H new ATOM 0 HG13 VAL A 25 2.555 -3.950 -2.441 1.00 1.08 H new ATOM 0 HG21 VAL A 25 3.687 -2.603 0.085 1.00 0.98 H new ATOM 0 HG22 VAL A 25 2.938 -1.682 -1.241 1.00 0.98 H new ATOM 0 HG23 VAL A 25 2.328 -1.504 0.421 1.00 0.98 H new ATOM 86 N LEU A 26 0.303 -0.630 -2.118 1.00 0.34 N ATOM 87 CA LEU A 26 0.482 0.377 -3.150 1.00 0.35 C ATOM 88 C LEU A 26 1.687 1.223 -2.792 1.00 0.34 C ATOM 89 O LEU A 26 2.096 1.253 -1.632 1.00 0.36 O ATOM 90 CB LEU A 26 -0.758 1.276 -3.280 1.00 0.40 C ATOM 91 CG LEU A 26 -2.033 0.617 -3.834 1.00 0.44 C ATOM 92 CD1 LEU A 26 -2.565 -0.467 -2.916 1.00 1.18 C ATOM 93 CD2 LEU A 26 -3.100 1.667 -4.058 1.00 1.09 C ATOM 0 H LEU A 26 -0.102 -0.272 -1.253 1.00 0.34 H new ATOM 0 HA LEU A 26 0.631 -0.123 -4.107 1.00 0.35 H new ATOM 0 HB2 LEU A 26 -0.986 1.685 -2.296 1.00 0.40 H new ATOM 0 HB3 LEU A 26 -0.502 2.118 -3.924 1.00 0.40 H new ATOM 0 HG LEU A 26 -1.770 0.145 -4.781 1.00 0.44 H new ATOM 0 HD11 LEU A 26 -3.465 -0.902 -3.350 1.00 1.18 H new ATOM 0 HD12 LEU A 26 -1.810 -1.243 -2.794 1.00 1.18 H new ATOM 0 HD13 LEU A 26 -2.803 -0.036 -1.944 1.00 1.18 H new ATOM 0 HD21 LEU A 26 -4.000 1.193 -4.450 1.00 1.09 H new ATOM 0 HD22 LEU A 26 -3.331 2.158 -3.113 1.00 1.09 H new ATOM 0 HD23 LEU A 26 -2.738 2.407 -4.772 1.00 1.09 H new ATOM 105 N ILE A 27 2.262 1.903 -3.767 1.00 0.34 N ATOM 106 CA ILE A 27 3.452 2.693 -3.512 1.00 0.32 C ATOM 107 C ILE A 27 3.553 3.899 -4.442 1.00 0.30 C ATOM 108 O ILE A 27 3.571 3.745 -5.661 1.00 0.36 O ATOM 109 CB ILE A 27 4.725 1.819 -3.637 1.00 0.33 C ATOM 110 CG1 ILE A 27 5.989 2.670 -3.470 1.00 0.33 C ATOM 111 CG2 ILE A 27 4.739 1.077 -4.970 1.00 0.35 C ATOM 112 CD1 ILE A 27 7.274 1.868 -3.478 1.00 0.55 C ATOM 0 H ILE A 27 1.930 1.925 -4.731 1.00 0.34 H new ATOM 0 HA ILE A 27 3.372 3.068 -2.492 1.00 0.32 H new ATOM 0 HB ILE A 27 4.711 1.079 -2.837 1.00 0.33 H new ATOM 0 HG12 ILE A 27 6.027 3.407 -4.272 1.00 0.33 H new ATOM 0 HG13 ILE A 27 5.922 3.222 -2.532 1.00 0.33 H new ATOM 0 HG21 ILE A 27 5.641 0.469 -5.038 1.00 0.35 H new ATOM 0 HG22 ILE A 27 3.862 0.434 -5.038 1.00 0.35 H new ATOM 0 HG23 ILE A 27 4.724 1.798 -5.788 1.00 0.35 H new ATOM 0 HD11 ILE A 27 8.123 2.540 -3.355 1.00 0.55 H new ATOM 0 HD12 ILE A 27 7.259 1.149 -2.659 1.00 0.55 H new ATOM 0 HD13 ILE A 27 7.366 1.337 -4.426 1.00 0.55 H new ATOM 124 N LEU A 28 3.592 5.103 -3.866 1.00 0.30 N ATOM 125 CA LEU A 28 3.961 6.288 -4.634 1.00 0.36 C ATOM 126 C LEU A 28 5.359 6.734 -4.240 1.00 0.38 C ATOM 127 O LEU A 28 5.532 7.633 -3.412 1.00 0.41 O ATOM 128 CB LEU A 28 2.994 7.455 -4.387 1.00 0.46 C ATOM 129 CG LEU A 28 1.880 7.642 -5.417 1.00 0.62 C ATOM 130 CD1 LEU A 28 0.661 6.815 -5.058 1.00 1.24 C ATOM 131 CD2 LEU A 28 1.510 9.113 -5.532 1.00 1.18 C ATOM 0 H LEU A 28 3.376 5.279 -2.885 1.00 0.30 H new ATOM 0 HA LEU A 28 3.919 6.019 -5.689 1.00 0.36 H new ATOM 0 HB2 LEU A 28 2.535 7.317 -3.408 1.00 0.46 H new ATOM 0 HB3 LEU A 28 3.575 8.376 -4.340 1.00 0.46 H new ATOM 0 HG LEU A 28 2.248 7.296 -6.383 1.00 0.62 H new ATOM 0 HD11 LEU A 28 -0.116 6.967 -5.808 1.00 1.24 H new ATOM 0 HD12 LEU A 28 0.933 5.760 -5.027 1.00 1.24 H new ATOM 0 HD13 LEU A 28 0.288 7.122 -4.081 1.00 1.24 H new ATOM 0 HD21 LEU A 28 0.716 9.232 -6.269 1.00 1.18 H new ATOM 0 HD22 LEU A 28 1.165 9.478 -4.565 1.00 1.18 H new ATOM 0 HD23 LEU A 28 2.384 9.685 -5.845 1.00 1.18 H new ATOM 143 N SER A 29 6.349 6.085 -4.816 1.00 0.44 N ATOM 144 CA SER A 29 7.729 6.506 -4.683 1.00 0.56 C ATOM 145 C SER A 29 8.484 6.147 -5.950 1.00 0.68 C ATOM 146 O SER A 29 8.211 5.105 -6.550 1.00 1.05 O ATOM 147 CB SER A 29 8.396 5.836 -3.474 1.00 0.61 C ATOM 148 OG SER A 29 9.739 6.271 -3.328 1.00 1.27 O ATOM 0 H SER A 29 6.221 5.251 -5.389 1.00 0.44 H new ATOM 0 HA SER A 29 7.752 7.585 -4.528 1.00 0.56 H new ATOM 0 HB2 SER A 29 7.834 6.068 -2.569 1.00 0.61 H new ATOM 0 HB3 SER A 29 8.372 4.753 -3.595 1.00 0.61 H new ATOM 0 HG SER A 29 9.751 7.218 -3.074 1.00 1.27 H new ATOM 154 N ASN A 30 9.421 6.975 -6.373 1.00 0.60 N ATOM 155 CA ASN A 30 10.368 6.513 -7.366 1.00 0.67 C ATOM 156 C ASN A 30 11.792 6.745 -6.886 1.00 0.64 C ATOM 157 O ASN A 30 12.420 7.763 -7.164 1.00 0.68 O ATOM 158 CB ASN A 30 10.125 7.195 -8.724 1.00 0.79 C ATOM 159 CG ASN A 30 9.908 8.698 -8.624 1.00 1.85 C ATOM 160 OD1 ASN A 30 10.851 9.487 -8.677 1.00 2.75 O ATOM 161 ND2 ASN A 30 8.653 9.103 -8.497 1.00 2.45 N ATOM 0 H ASN A 30 9.545 7.937 -6.058 1.00 0.60 H new ATOM 0 HA ASN A 30 10.222 5.442 -7.505 1.00 0.67 H new ATOM 0 HB2 ASN A 30 10.978 7.003 -9.375 1.00 0.79 H new ATOM 0 HB3 ASN A 30 9.254 6.742 -9.197 1.00 0.79 H new ATOM 0 HD21 ASN A 30 8.442 10.099 -8.440 1.00 2.45 H new ATOM 0 HD22 ASN A 30 7.898 8.419 -8.457 1.00 2.45 H new ATOM 168 N ASP A 31 12.273 5.773 -6.132 1.00 0.63 N ATOM 169 CA ASP A 31 13.685 5.582 -5.871 1.00 0.67 C ATOM 170 C ASP A 31 14.062 4.192 -6.360 1.00 0.72 C ATOM 171 O ASP A 31 13.344 3.231 -6.090 1.00 0.81 O ATOM 172 CB ASP A 31 13.990 5.755 -4.383 1.00 0.72 C ATOM 173 CG ASP A 31 15.450 5.530 -4.064 1.00 0.92 C ATOM 174 OD1 ASP A 31 15.808 4.410 -3.653 1.00 1.45 O ATOM 175 OD2 ASP A 31 16.250 6.476 -4.228 1.00 1.57 O ATOM 0 H ASP A 31 11.679 5.081 -5.675 1.00 0.63 H new ATOM 0 HA ASP A 31 14.275 6.331 -6.399 1.00 0.67 H new ATOM 0 HB2 ASP A 31 13.703 6.759 -4.071 1.00 0.72 H new ATOM 0 HB3 ASP A 31 13.383 5.056 -3.807 1.00 0.72 H new ATOM 180 N LYS A 32 15.176 4.073 -7.064 1.00 0.78 N ATOM 181 CA LYS A 32 15.549 2.799 -7.669 1.00 0.82 C ATOM 182 C LYS A 32 15.869 1.738 -6.615 1.00 0.79 C ATOM 183 O LYS A 32 15.640 0.551 -6.838 1.00 0.81 O ATOM 184 CB LYS A 32 16.727 2.966 -8.636 1.00 0.99 C ATOM 185 CG LYS A 32 16.326 3.502 -10.008 1.00 1.10 C ATOM 186 CD LYS A 32 16.002 4.990 -9.984 1.00 1.61 C ATOM 187 CE LYS A 32 17.264 5.838 -9.949 1.00 2.22 C ATOM 188 NZ LYS A 32 16.960 7.294 -9.980 1.00 2.93 N ATOM 0 H LYS A 32 15.834 4.834 -7.231 1.00 0.78 H new ATOM 0 HA LYS A 32 14.684 2.453 -8.236 1.00 0.82 H new ATOM 0 HB2 LYS A 32 17.457 3.642 -8.191 1.00 0.99 H new ATOM 0 HB3 LYS A 32 17.221 2.002 -8.763 1.00 0.99 H new ATOM 0 HG2 LYS A 32 17.136 3.322 -10.715 1.00 1.10 H new ATOM 0 HG3 LYS A 32 15.458 2.951 -10.370 1.00 1.10 H new ATOM 0 HD2 LYS A 32 15.413 5.249 -10.864 1.00 1.61 H new ATOM 0 HD3 LYS A 32 15.388 5.215 -9.112 1.00 1.61 H new ATOM 0 HE2 LYS A 32 17.832 5.606 -9.048 1.00 2.22 H new ATOM 0 HE3 LYS A 32 17.896 5.582 -10.799 1.00 2.22 H new ATOM 0 HZ1 LYS A 32 17.848 7.835 -9.955 1.00 2.93 H new ATOM 0 HZ2 LYS A 32 16.441 7.522 -10.852 1.00 2.93 H new ATOM 0 HZ3 LYS A 32 16.378 7.545 -9.155 1.00 2.93 H new ATOM 202 N LYS A 33 16.372 2.168 -5.464 1.00 0.84 N ATOM 203 CA LYS A 33 16.715 1.244 -4.390 1.00 0.86 C ATOM 204 C LYS A 33 15.467 0.860 -3.597 1.00 0.74 C ATOM 205 O LYS A 33 15.203 -0.322 -3.368 1.00 0.70 O ATOM 206 CB LYS A 33 17.761 1.871 -3.461 1.00 1.02 C ATOM 207 CG LYS A 33 18.201 0.966 -2.320 1.00 1.56 C ATOM 208 CD LYS A 33 18.873 -0.297 -2.832 1.00 2.24 C ATOM 209 CE LYS A 33 19.300 -1.200 -1.689 1.00 2.94 C ATOM 210 NZ LYS A 33 19.924 -2.457 -2.176 1.00 3.44 N ATOM 0 H LYS A 33 16.551 3.149 -5.251 1.00 0.84 H new ATOM 0 HA LYS A 33 17.137 0.342 -4.833 1.00 0.86 H new ATOM 0 HB2 LYS A 33 18.636 2.146 -4.050 1.00 1.02 H new ATOM 0 HB3 LYS A 33 17.355 2.792 -3.044 1.00 1.02 H new ATOM 0 HG2 LYS A 33 18.890 1.507 -1.671 1.00 1.56 H new ATOM 0 HG3 LYS A 33 17.336 0.698 -1.714 1.00 1.56 H new ATOM 0 HD2 LYS A 33 18.188 -0.836 -3.487 1.00 2.24 H new ATOM 0 HD3 LYS A 33 19.743 -0.030 -3.432 1.00 2.24 H new ATOM 0 HE2 LYS A 33 20.006 -0.668 -1.051 1.00 2.94 H new ATOM 0 HE3 LYS A 33 18.433 -1.440 -1.074 1.00 2.94 H new ATOM 0 HZ1 LYS A 33 20.201 -3.045 -1.364 1.00 3.44 H new ATOM 0 HZ2 LYS A 33 19.242 -2.978 -2.764 1.00 3.44 H new ATOM 0 HZ3 LYS A 33 20.766 -2.230 -2.742 1.00 3.44 H new ATOM 224 N LEU A 34 14.701 1.871 -3.197 1.00 0.72 N ATOM 225 CA LEU A 34 13.477 1.662 -2.423 1.00 0.64 C ATOM 226 C LEU A 34 12.496 0.753 -3.156 1.00 0.58 C ATOM 227 O LEU A 34 11.971 -0.189 -2.566 1.00 0.62 O ATOM 228 CB LEU A 34 12.827 3.015 -2.099 1.00 0.63 C ATOM 229 CG LEU A 34 11.373 2.980 -1.607 1.00 0.69 C ATOM 230 CD1 LEU A 34 11.193 2.044 -0.429 1.00 1.37 C ATOM 231 CD2 LEU A 34 10.922 4.377 -1.223 1.00 1.46 C ATOM 0 H LEU A 34 14.907 2.850 -3.397 1.00 0.72 H new ATOM 0 HA LEU A 34 13.745 1.163 -1.492 1.00 0.64 H new ATOM 0 HB2 LEU A 34 13.432 3.510 -1.339 1.00 0.63 H new ATOM 0 HB3 LEU A 34 12.869 3.636 -2.994 1.00 0.63 H new ATOM 0 HG LEU A 34 10.760 2.604 -2.426 1.00 0.69 H new ATOM 0 HD11 LEU A 34 10.149 2.051 -0.115 1.00 1.37 H new ATOM 0 HD12 LEU A 34 11.477 1.033 -0.721 1.00 1.37 H new ATOM 0 HD13 LEU A 34 11.823 2.374 0.397 1.00 1.37 H new ATOM 0 HD21 LEU A 34 9.890 4.343 -0.875 1.00 1.46 H new ATOM 0 HD22 LEU A 34 11.561 4.760 -0.427 1.00 1.46 H new ATOM 0 HD23 LEU A 34 10.991 5.033 -2.091 1.00 1.46 H new ATOM 243 N ILE A 35 12.258 1.022 -4.437 1.00 0.54 N ATOM 244 CA ILE A 35 11.318 0.220 -5.216 1.00 0.52 C ATOM 245 C ILE A 35 11.718 -1.254 -5.204 1.00 0.55 C ATOM 246 O ILE A 35 10.866 -2.133 -5.064 1.00 0.58 O ATOM 247 CB ILE A 35 11.193 0.723 -6.674 1.00 0.56 C ATOM 248 CG1 ILE A 35 10.530 2.104 -6.700 1.00 0.57 C ATOM 249 CG2 ILE A 35 10.398 -0.263 -7.523 1.00 0.61 C ATOM 250 CD1 ILE A 35 10.384 2.684 -8.091 1.00 0.69 C ATOM 0 H ILE A 35 12.699 1.783 -4.954 1.00 0.54 H new ATOM 0 HA ILE A 35 10.343 0.328 -4.742 1.00 0.52 H new ATOM 0 HB ILE A 35 12.195 0.804 -7.097 1.00 0.56 H new ATOM 0 HG12 ILE A 35 9.544 2.032 -6.241 1.00 0.57 H new ATOM 0 HG13 ILE A 35 11.117 2.790 -6.090 1.00 0.57 H new ATOM 0 HG21 ILE A 35 10.324 0.113 -8.543 1.00 0.61 H new ATOM 0 HG22 ILE A 35 10.903 -1.229 -7.528 1.00 0.61 H new ATOM 0 HG23 ILE A 35 9.398 -0.379 -7.105 1.00 0.61 H new ATOM 0 HD11 ILE A 35 9.907 3.662 -8.029 1.00 0.69 H new ATOM 0 HD12 ILE A 35 11.369 2.789 -8.547 1.00 0.69 H new ATOM 0 HD13 ILE A 35 9.771 2.019 -8.700 1.00 0.69 H new ATOM 262 N GLU A 36 13.016 -1.525 -5.320 1.00 0.59 N ATOM 263 CA GLU A 36 13.497 -2.898 -5.285 1.00 0.66 C ATOM 264 C GLU A 36 13.266 -3.527 -3.918 1.00 0.62 C ATOM 265 O GLU A 36 12.632 -4.575 -3.818 1.00 0.62 O ATOM 266 CB GLU A 36 14.976 -2.982 -5.641 1.00 0.79 C ATOM 267 CG GLU A 36 15.279 -2.619 -7.080 1.00 0.76 C ATOM 268 CD GLU A 36 16.673 -3.028 -7.488 1.00 1.34 C ATOM 269 OE1 GLU A 36 17.647 -2.474 -6.937 1.00 2.15 O ATOM 270 OE2 GLU A 36 16.803 -3.907 -8.367 1.00 1.87 O ATOM 0 H GLU A 36 13.743 -0.820 -5.438 1.00 0.59 H new ATOM 0 HA GLU A 36 12.928 -3.452 -6.031 1.00 0.66 H new ATOM 0 HB2 GLU A 36 15.537 -2.319 -4.983 1.00 0.79 H new ATOM 0 HB3 GLU A 36 15.330 -3.995 -5.449 1.00 0.79 H new ATOM 0 HG2 GLU A 36 14.554 -3.101 -7.735 1.00 0.76 H new ATOM 0 HG3 GLU A 36 15.164 -1.543 -7.214 1.00 0.76 H new ATOM 277 N GLU A 37 13.767 -2.880 -2.867 1.00 0.62 N ATOM 278 CA GLU A 37 13.656 -3.423 -1.515 1.00 0.65 C ATOM 279 C GLU A 37 12.196 -3.613 -1.119 1.00 0.56 C ATOM 280 O GLU A 37 11.840 -4.612 -0.485 1.00 0.57 O ATOM 281 CB GLU A 37 14.357 -2.522 -0.497 1.00 0.73 C ATOM 282 CG GLU A 37 15.851 -2.383 -0.730 1.00 0.85 C ATOM 283 CD GLU A 37 16.584 -1.857 0.488 1.00 1.30 C ATOM 284 OE1 GLU A 37 16.484 -0.651 0.781 1.00 2.05 O ATOM 285 OE2 GLU A 37 17.277 -2.658 1.158 1.00 1.84 O ATOM 0 H GLU A 37 14.251 -1.984 -2.925 1.00 0.62 H new ATOM 0 HA GLU A 37 14.148 -4.395 -1.515 1.00 0.65 H new ATOM 0 HB2 GLU A 37 13.900 -1.533 -0.526 1.00 0.73 H new ATOM 0 HB3 GLU A 37 14.190 -2.921 0.503 1.00 0.73 H new ATOM 0 HG2 GLU A 37 16.264 -3.353 -1.007 1.00 0.85 H new ATOM 0 HG3 GLU A 37 16.023 -1.711 -1.571 1.00 0.85 H new ATOM 292 N ALA A 38 11.356 -2.657 -1.502 1.00 0.51 N ATOM 293 CA ALA A 38 9.931 -2.734 -1.225 1.00 0.46 C ATOM 294 C ALA A 38 9.307 -3.924 -1.942 1.00 0.42 C ATOM 295 O ALA A 38 8.540 -4.687 -1.346 1.00 0.43 O ATOM 296 CB ALA A 38 9.238 -1.443 -1.636 1.00 0.50 C ATOM 0 H ALA A 38 11.642 -1.818 -2.007 1.00 0.51 H new ATOM 0 HA ALA A 38 9.798 -2.872 -0.152 1.00 0.46 H new ATOM 0 HB1 ALA A 38 8.172 -1.518 -1.422 1.00 0.50 H new ATOM 0 HB2 ALA A 38 9.662 -0.609 -1.078 1.00 0.50 H new ATOM 0 HB3 ALA A 38 9.383 -1.276 -2.703 1.00 0.50 H new ATOM 302 N ARG A 39 9.650 -4.096 -3.216 1.00 0.43 N ATOM 303 CA ARG A 39 9.106 -5.197 -3.995 1.00 0.45 C ATOM 304 C ARG A 39 9.618 -6.525 -3.477 1.00 0.45 C ATOM 305 O ARG A 39 8.851 -7.457 -3.345 1.00 0.49 O ATOM 306 CB ARG A 39 9.449 -5.079 -5.478 1.00 0.53 C ATOM 307 CG ARG A 39 8.719 -6.104 -6.341 1.00 0.60 C ATOM 308 CD ARG A 39 9.280 -6.135 -7.754 1.00 0.77 C ATOM 309 NE ARG A 39 8.571 -7.088 -8.606 1.00 1.46 N ATOM 310 CZ ARG A 39 8.467 -6.963 -9.931 1.00 1.90 C ATOM 311 NH1 ARG A 39 9.049 -5.948 -10.555 1.00 1.82 N ATOM 312 NH2 ARG A 39 7.788 -7.858 -10.633 1.00 2.96 N ATOM 0 H ARG A 39 10.296 -3.492 -3.724 1.00 0.43 H new ATOM 0 HA ARG A 39 8.023 -5.148 -3.887 1.00 0.45 H new ATOM 0 HB2 ARG A 39 9.199 -4.076 -5.825 1.00 0.53 H new ATOM 0 HB3 ARG A 39 10.524 -5.202 -5.608 1.00 0.53 H new ATOM 0 HG2 ARG A 39 8.809 -7.092 -5.890 1.00 0.60 H new ATOM 0 HG3 ARG A 39 7.656 -5.864 -6.374 1.00 0.60 H new ATOM 0 HD2 ARG A 39 9.214 -5.139 -8.192 1.00 0.77 H new ATOM 0 HD3 ARG A 39 10.337 -6.398 -7.718 1.00 0.77 H new ATOM 0 HE ARG A 39 8.131 -7.894 -8.163 1.00 1.46 H new ATOM 0 HH11 ARG A 39 9.579 -5.258 -10.022 1.00 1.82 H new ATOM 0 HH12 ARG A 39 8.967 -5.857 -11.568 1.00 1.82 H new ATOM 0 HH21 ARG A 39 7.343 -8.645 -10.161 1.00 2.96 H new ATOM 0 HH22 ARG A 39 7.710 -7.760 -11.645 1.00 2.96 H new ATOM 326 N LYS A 40 10.912 -6.607 -3.182 1.00 0.49 N ATOM 327 CA LYS A 40 11.515 -7.856 -2.720 1.00 0.55 C ATOM 328 C LYS A 40 10.784 -8.407 -1.498 1.00 0.49 C ATOM 329 O LYS A 40 10.527 -9.609 -1.413 1.00 0.54 O ATOM 330 CB LYS A 40 12.999 -7.660 -2.403 1.00 0.70 C ATOM 331 CG LYS A 40 13.850 -7.370 -3.628 1.00 0.85 C ATOM 332 CD LYS A 40 15.311 -7.167 -3.257 1.00 1.27 C ATOM 333 CE LYS A 40 16.156 -6.826 -4.475 1.00 1.34 C ATOM 334 NZ LYS A 40 16.153 -7.916 -5.486 1.00 1.88 N ATOM 0 H LYS A 40 11.563 -5.825 -3.254 1.00 0.49 H new ATOM 0 HA LYS A 40 11.423 -8.582 -3.528 1.00 0.55 H new ATOM 0 HB2 LYS A 40 13.105 -6.838 -1.695 1.00 0.70 H new ATOM 0 HB3 LYS A 40 13.378 -8.556 -1.911 1.00 0.70 H new ATOM 0 HG2 LYS A 40 13.764 -8.195 -4.335 1.00 0.85 H new ATOM 0 HG3 LYS A 40 13.474 -6.479 -4.131 1.00 0.85 H new ATOM 0 HD2 LYS A 40 15.392 -6.367 -2.521 1.00 1.27 H new ATOM 0 HD3 LYS A 40 15.697 -8.072 -2.788 1.00 1.27 H new ATOM 0 HE2 LYS A 40 15.780 -5.910 -4.930 1.00 1.34 H new ATOM 0 HE3 LYS A 40 17.181 -6.628 -4.160 1.00 1.34 H new ATOM 0 HZ1 LYS A 40 16.869 -7.717 -6.214 1.00 1.88 H new ATOM 0 HZ2 LYS A 40 16.373 -8.820 -5.022 1.00 1.88 H new ATOM 0 HZ3 LYS A 40 15.215 -7.975 -5.930 1.00 1.88 H new ATOM 348 N MET A 41 10.433 -7.526 -0.570 1.00 0.45 N ATOM 349 CA MET A 41 9.684 -7.931 0.614 1.00 0.46 C ATOM 350 C MET A 41 8.331 -8.508 0.220 1.00 0.41 C ATOM 351 O MET A 41 8.011 -9.647 0.555 1.00 0.46 O ATOM 352 CB MET A 41 9.481 -6.755 1.569 1.00 0.57 C ATOM 353 CG MET A 41 10.723 -6.387 2.361 1.00 0.89 C ATOM 354 SD MET A 41 11.288 -7.727 3.426 1.00 1.10 S ATOM 355 CE MET A 41 12.713 -6.967 4.201 1.00 1.68 C ATOM 0 H MET A 41 10.653 -6.531 -0.613 1.00 0.45 H new ATOM 0 HA MET A 41 10.266 -8.697 1.125 1.00 0.46 H new ATOM 0 HB2 MET A 41 9.156 -5.886 0.997 1.00 0.57 H new ATOM 0 HB3 MET A 41 8.677 -6.998 2.264 1.00 0.57 H new ATOM 0 HG2 MET A 41 11.522 -6.115 1.671 1.00 0.89 H new ATOM 0 HG3 MET A 41 10.514 -5.507 2.970 1.00 0.89 H new ATOM 0 HE1 MET A 41 13.173 -7.675 4.891 1.00 1.68 H new ATOM 0 HE2 MET A 41 13.436 -6.685 3.436 1.00 1.68 H new ATOM 0 HE3 MET A 41 12.399 -6.079 4.749 1.00 1.68 H new ATOM 365 N ALA A 42 7.559 -7.724 -0.523 1.00 0.37 N ATOM 366 CA ALA A 42 6.214 -8.119 -0.922 1.00 0.39 C ATOM 367 C ALA A 42 6.236 -9.288 -1.902 1.00 0.42 C ATOM 368 O ALA A 42 5.307 -10.095 -1.940 1.00 0.49 O ATOM 369 CB ALA A 42 5.489 -6.938 -1.537 1.00 0.43 C ATOM 0 H ALA A 42 7.844 -6.806 -0.863 1.00 0.37 H new ATOM 0 HA ALA A 42 5.684 -8.447 -0.028 1.00 0.39 H new ATOM 0 HB1 ALA A 42 4.485 -7.241 -1.833 1.00 0.43 H new ATOM 0 HB2 ALA A 42 5.424 -6.131 -0.807 1.00 0.43 H new ATOM 0 HB3 ALA A 42 6.036 -6.592 -2.414 1.00 0.43 H new ATOM 375 N GLU A 43 7.302 -9.371 -2.685 1.00 0.45 N ATOM 376 CA GLU A 43 7.455 -10.415 -3.682 1.00 0.59 C ATOM 377 C GLU A 43 7.511 -11.775 -2.993 1.00 0.63 C ATOM 378 O GLU A 43 6.807 -12.712 -3.368 1.00 0.75 O ATOM 379 CB GLU A 43 8.731 -10.192 -4.498 1.00 0.71 C ATOM 380 CG GLU A 43 8.751 -10.942 -5.818 1.00 0.87 C ATOM 381 CD GLU A 43 7.657 -10.480 -6.759 1.00 1.66 C ATOM 382 OE1 GLU A 43 6.578 -11.108 -6.781 1.00 2.36 O ATOM 383 OE2 GLU A 43 7.866 -9.485 -7.484 1.00 2.41 O ATOM 0 H GLU A 43 8.083 -8.716 -2.645 1.00 0.45 H new ATOM 0 HA GLU A 43 6.601 -10.385 -4.358 1.00 0.59 H new ATOM 0 HB2 GLU A 43 8.844 -9.126 -4.694 1.00 0.71 H new ATOM 0 HB3 GLU A 43 9.591 -10.499 -3.903 1.00 0.71 H new ATOM 0 HG2 GLU A 43 9.721 -10.805 -6.297 1.00 0.87 H new ATOM 0 HG3 GLU A 43 8.637 -12.009 -5.629 1.00 0.87 H new ATOM 390 N LYS A 44 8.341 -11.858 -1.960 1.00 0.60 N ATOM 391 CA LYS A 44 8.484 -13.085 -1.187 1.00 0.70 C ATOM 392 C LYS A 44 7.313 -13.263 -0.227 1.00 0.66 C ATOM 393 O LYS A 44 6.985 -14.384 0.162 1.00 0.75 O ATOM 394 CB LYS A 44 9.799 -13.089 -0.400 1.00 0.81 C ATOM 395 CG LYS A 44 11.025 -13.488 -1.213 1.00 1.39 C ATOM 396 CD LYS A 44 11.362 -12.469 -2.288 1.00 2.35 C ATOM 397 CE LYS A 44 12.673 -12.804 -2.979 1.00 3.19 C ATOM 398 NZ LYS A 44 12.625 -14.127 -3.656 1.00 3.63 N ATOM 0 H LYS A 44 8.927 -11.088 -1.638 1.00 0.60 H new ATOM 0 HA LYS A 44 8.493 -13.916 -1.892 1.00 0.70 H new ATOM 0 HB2 LYS A 44 9.962 -12.094 0.014 1.00 0.81 H new ATOM 0 HB3 LYS A 44 9.700 -13.773 0.443 1.00 0.81 H new ATOM 0 HG2 LYS A 44 11.879 -13.604 -0.545 1.00 1.39 H new ATOM 0 HG3 LYS A 44 10.850 -14.458 -1.678 1.00 1.39 H new ATOM 0 HD2 LYS A 44 10.559 -12.436 -3.024 1.00 2.35 H new ATOM 0 HD3 LYS A 44 11.427 -11.476 -1.843 1.00 2.35 H new ATOM 0 HE2 LYS A 44 12.905 -12.031 -3.711 1.00 3.19 H new ATOM 0 HE3 LYS A 44 13.480 -12.801 -2.246 1.00 3.19 H new ATOM 0 HZ1 LYS A 44 13.493 -14.264 -4.212 1.00 3.63 H new ATOM 0 HZ2 LYS A 44 12.548 -14.880 -2.942 1.00 3.63 H new ATOM 0 HZ3 LYS A 44 11.800 -14.164 -4.288 1.00 3.63 H new ATOM 412 N ALA A 45 6.682 -12.154 0.144 1.00 0.57 N ATOM 413 CA ALA A 45 5.565 -12.185 1.083 1.00 0.59 C ATOM 414 C ALA A 45 4.251 -12.486 0.369 1.00 0.59 C ATOM 415 O ALA A 45 3.198 -12.593 0.999 1.00 0.66 O ATOM 416 CB ALA A 45 5.474 -10.871 1.843 1.00 0.56 C ATOM 0 H ALA A 45 6.925 -11.222 -0.191 1.00 0.57 H new ATOM 0 HA ALA A 45 5.747 -12.988 1.797 1.00 0.59 H new ATOM 0 HB1 ALA A 45 4.636 -10.910 2.539 1.00 0.56 H new ATOM 0 HB2 ALA A 45 6.398 -10.706 2.397 1.00 0.56 H new ATOM 0 HB3 ALA A 45 5.322 -10.053 1.139 1.00 0.56 H new ATOM 422 N ASN A 46 4.338 -12.608 -0.955 1.00 0.56 N ATOM 423 CA ASN A 46 3.201 -12.962 -1.804 1.00 0.60 C ATOM 424 C ASN A 46 2.096 -11.915 -1.699 1.00 0.54 C ATOM 425 O ASN A 46 0.907 -12.234 -1.662 1.00 0.63 O ATOM 426 CB ASN A 46 2.670 -14.357 -1.445 1.00 0.76 C ATOM 427 CG ASN A 46 1.876 -14.987 -2.578 1.00 1.41 C ATOM 428 OD1 ASN A 46 0.655 -14.847 -2.660 1.00 2.03 O ATOM 429 ND2 ASN A 46 2.569 -15.686 -3.463 1.00 2.18 N ATOM 0 H ASN A 46 5.205 -12.463 -1.472 1.00 0.56 H new ATOM 0 HA ASN A 46 3.544 -12.985 -2.838 1.00 0.60 H new ATOM 0 HB2 ASN A 46 3.507 -15.006 -1.188 1.00 0.76 H new ATOM 0 HB3 ASN A 46 2.039 -14.285 -0.559 1.00 0.76 H new ATOM 0 HD21 ASN A 46 2.092 -16.132 -4.247 1.00 2.18 H new ATOM 0 HD22 ASN A 46 3.580 -15.779 -3.361 1.00 2.18 H new ATOM 436 N LEU A 47 2.500 -10.656 -1.656 1.00 0.44 N ATOM 437 CA LEU A 47 1.547 -9.562 -1.583 1.00 0.42 C ATOM 438 C LEU A 47 1.269 -9.042 -2.980 1.00 0.41 C ATOM 439 O LEU A 47 1.987 -9.371 -3.926 1.00 0.58 O ATOM 440 CB LEU A 47 2.084 -8.415 -0.729 1.00 0.43 C ATOM 441 CG LEU A 47 2.663 -8.799 0.631 1.00 0.45 C ATOM 442 CD1 LEU A 47 3.091 -7.549 1.378 1.00 0.47 C ATOM 443 CD2 LEU A 47 1.656 -9.584 1.453 1.00 0.59 C ATOM 0 H LEU A 47 3.478 -10.367 -1.670 1.00 0.44 H new ATOM 0 HA LEU A 47 0.633 -9.940 -1.125 1.00 0.42 H new ATOM 0 HB2 LEU A 47 2.858 -7.898 -1.297 1.00 0.43 H new ATOM 0 HB3 LEU A 47 1.276 -7.701 -0.568 1.00 0.43 H new ATOM 0 HG LEU A 47 3.532 -9.437 0.468 1.00 0.45 H new ATOM 0 HD11 LEU A 47 3.503 -7.828 2.348 1.00 0.47 H new ATOM 0 HD12 LEU A 47 3.849 -7.021 0.799 1.00 0.47 H new ATOM 0 HD13 LEU A 47 2.228 -6.899 1.524 1.00 0.47 H new ATOM 0 HD21 LEU A 47 2.096 -9.844 2.416 1.00 0.59 H new ATOM 0 HD22 LEU A 47 0.765 -8.977 1.613 1.00 0.59 H new ATOM 0 HD23 LEU A 47 1.384 -10.495 0.921 1.00 0.59 H new ATOM 455 N ILE A 48 0.236 -8.237 -3.115 1.00 0.30 N ATOM 456 CA ILE A 48 -0.073 -7.625 -4.391 1.00 0.32 C ATOM 457 C ILE A 48 0.403 -6.178 -4.404 1.00 0.32 C ATOM 458 O ILE A 48 -0.282 -5.277 -3.915 1.00 0.33 O ATOM 459 CB ILE A 48 -1.581 -7.704 -4.704 1.00 0.36 C ATOM 460 CG1 ILE A 48 -2.028 -9.170 -4.710 1.00 0.40 C ATOM 461 CG2 ILE A 48 -1.888 -7.042 -6.040 1.00 0.43 C ATOM 462 CD1 ILE A 48 -3.497 -9.364 -5.009 1.00 0.53 C ATOM 0 H ILE A 48 -0.403 -7.991 -2.359 1.00 0.30 H new ATOM 0 HA ILE A 48 0.453 -8.179 -5.169 1.00 0.32 H new ATOM 0 HB ILE A 48 -2.133 -7.168 -3.931 1.00 0.36 H new ATOM 0 HG12 ILE A 48 -1.442 -9.715 -5.450 1.00 0.40 H new ATOM 0 HG13 ILE A 48 -1.804 -9.611 -3.739 1.00 0.40 H new ATOM 0 HG21 ILE A 48 -2.957 -7.109 -6.242 1.00 0.43 H new ATOM 0 HG22 ILE A 48 -1.590 -5.994 -6.004 1.00 0.43 H new ATOM 0 HG23 ILE A 48 -1.337 -7.549 -6.832 1.00 0.43 H new ATOM 0 HD11 ILE A 48 -3.734 -10.428 -4.995 1.00 0.53 H new ATOM 0 HD12 ILE A 48 -4.093 -8.850 -4.255 1.00 0.53 H new ATOM 0 HD13 ILE A 48 -3.725 -8.955 -5.993 1.00 0.53 H new ATOM 474 N LEU A 49 1.603 -5.976 -4.932 1.00 0.34 N ATOM 475 CA LEU A 49 2.196 -4.651 -5.021 1.00 0.35 C ATOM 476 C LEU A 49 1.775 -3.972 -6.312 1.00 0.35 C ATOM 477 O LEU A 49 1.777 -4.590 -7.377 1.00 0.44 O ATOM 478 CB LEU A 49 3.726 -4.745 -4.959 1.00 0.44 C ATOM 479 CG LEU A 49 4.478 -3.418 -5.124 1.00 0.58 C ATOM 480 CD1 LEU A 49 4.228 -2.497 -3.941 1.00 0.90 C ATOM 481 CD2 LEU A 49 5.966 -3.667 -5.292 1.00 1.14 C ATOM 0 H LEU A 49 2.188 -6.722 -5.308 1.00 0.34 H new ATOM 0 HA LEU A 49 1.844 -4.059 -4.176 1.00 0.35 H new ATOM 0 HB2 LEU A 49 4.007 -5.185 -4.002 1.00 0.44 H new ATOM 0 HB3 LEU A 49 4.062 -5.432 -5.736 1.00 0.44 H new ATOM 0 HG LEU A 49 4.101 -2.928 -6.022 1.00 0.58 H new ATOM 0 HD11 LEU A 49 4.773 -1.564 -4.085 1.00 0.90 H new ATOM 0 HD12 LEU A 49 3.161 -2.286 -3.863 1.00 0.90 H new ATOM 0 HD13 LEU A 49 4.570 -2.980 -3.025 1.00 0.90 H new ATOM 0 HD21 LEU A 49 6.483 -2.715 -5.408 1.00 1.14 H new ATOM 0 HD22 LEU A 49 6.350 -4.184 -4.413 1.00 1.14 H new ATOM 0 HD23 LEU A 49 6.135 -4.281 -6.176 1.00 1.14 H new ATOM 493 N ILE A 50 1.396 -2.710 -6.215 1.00 0.33 N ATOM 494 CA ILE A 50 1.029 -1.933 -7.385 1.00 0.34 C ATOM 495 C ILE A 50 1.830 -0.634 -7.422 1.00 0.32 C ATOM 496 O ILE A 50 1.587 0.279 -6.632 1.00 0.36 O ATOM 497 CB ILE A 50 -0.482 -1.608 -7.407 1.00 0.41 C ATOM 498 CG1 ILE A 50 -1.313 -2.878 -7.167 1.00 0.48 C ATOM 499 CG2 ILE A 50 -0.861 -0.972 -8.738 1.00 0.46 C ATOM 500 CD1 ILE A 50 -2.801 -2.621 -7.041 1.00 0.94 C ATOM 0 H ILE A 50 1.334 -2.200 -5.334 1.00 0.33 H new ATOM 0 HA ILE A 50 1.258 -2.535 -8.264 1.00 0.34 H new ATOM 0 HB ILE A 50 -0.696 -0.902 -6.605 1.00 0.41 H new ATOM 0 HG12 ILE A 50 -1.142 -3.573 -7.989 1.00 0.48 H new ATOM 0 HG13 ILE A 50 -0.960 -3.366 -6.258 1.00 0.48 H new ATOM 0 HG21 ILE A 50 -1.928 -0.747 -8.743 1.00 0.46 H new ATOM 0 HG22 ILE A 50 -0.295 -0.051 -8.875 1.00 0.46 H new ATOM 0 HG23 ILE A 50 -0.632 -1.663 -9.550 1.00 0.46 H new ATOM 0 HD11 ILE A 50 -3.320 -3.565 -6.873 1.00 0.94 H new ATOM 0 HD12 ILE A 50 -2.985 -1.951 -6.201 1.00 0.94 H new ATOM 0 HD13 ILE A 50 -3.170 -2.162 -7.958 1.00 0.94 H new ATOM 512 N THR A 51 2.801 -0.574 -8.323 1.00 0.32 N ATOM 513 CA THR A 51 3.632 0.611 -8.479 1.00 0.35 C ATOM 514 C THR A 51 2.848 1.739 -9.140 1.00 0.38 C ATOM 515 O THR A 51 2.330 1.579 -10.248 1.00 0.55 O ATOM 516 CB THR A 51 4.888 0.296 -9.311 1.00 0.47 C ATOM 517 OG1 THR A 51 4.519 -0.383 -10.520 1.00 1.17 O ATOM 518 CG2 THR A 51 5.862 -0.561 -8.516 1.00 0.89 C ATOM 0 H THR A 51 3.033 -1.336 -8.960 1.00 0.32 H new ATOM 0 HA THR A 51 3.941 0.931 -7.484 1.00 0.35 H new ATOM 0 HB THR A 51 5.378 1.237 -9.560 1.00 0.47 H new ATOM 0 HG1 THR A 51 3.677 -0.013 -10.859 1.00 1.17 H new ATOM 0 HG21 THR A 51 6.742 -0.771 -9.124 1.00 0.89 H new ATOM 0 HG22 THR A 51 6.163 -0.028 -7.614 1.00 0.89 H new ATOM 0 HG23 THR A 51 5.380 -1.499 -8.240 1.00 0.89 H new ATOM 526 N VAL A 52 2.754 2.871 -8.458 1.00 0.39 N ATOM 527 CA VAL A 52 1.946 3.986 -8.929 1.00 0.49 C ATOM 528 C VAL A 52 2.639 5.319 -8.669 1.00 0.58 C ATOM 529 O VAL A 52 3.247 5.519 -7.622 1.00 0.80 O ATOM 530 CB VAL A 52 0.562 4.003 -8.229 1.00 0.59 C ATOM 531 CG1 VAL A 52 -0.202 5.276 -8.553 1.00 1.38 C ATOM 532 CG2 VAL A 52 -0.264 2.789 -8.619 1.00 1.04 C ATOM 0 H VAL A 52 3.230 3.042 -7.572 1.00 0.39 H new ATOM 0 HA VAL A 52 1.813 3.851 -10.002 1.00 0.49 H new ATOM 0 HB VAL A 52 0.742 3.971 -7.154 1.00 0.59 H new ATOM 0 HG11 VAL A 52 -1.168 5.259 -8.048 1.00 1.38 H new ATOM 0 HG12 VAL A 52 0.370 6.140 -8.214 1.00 1.38 H new ATOM 0 HG13 VAL A 52 -0.356 5.344 -9.630 1.00 1.38 H new ATOM 0 HG21 VAL A 52 -1.229 2.828 -8.113 1.00 1.04 H new ATOM 0 HG22 VAL A 52 -0.420 2.786 -9.698 1.00 1.04 H new ATOM 0 HG23 VAL A 52 0.263 1.881 -8.326 1.00 1.04 H new ATOM 542 N GLY A 53 2.572 6.228 -9.625 1.00 0.66 N ATOM 543 CA GLY A 53 2.962 7.583 -9.340 1.00 0.75 C ATOM 544 C GLY A 53 1.929 8.565 -9.832 1.00 0.81 C ATOM 545 O GLY A 53 1.979 8.993 -10.985 1.00 1.24 O ATOM 0 H GLY A 53 2.259 6.053 -10.580 1.00 0.66 H new ATOM 0 HA2 GLY A 53 3.101 7.706 -8.266 1.00 0.75 H new ATOM 0 HA3 GLY A 53 3.922 7.794 -9.812 1.00 0.75 H new ATOM 549 N ASP A 54 1.010 8.922 -8.933 1.00 0.71 N ATOM 550 CA ASP A 54 -0.007 9.944 -9.171 1.00 0.82 C ATOM 551 C ASP A 54 -1.094 9.828 -8.103 1.00 0.70 C ATOM 552 O ASP A 54 -1.347 8.735 -7.593 1.00 0.64 O ATOM 553 CB ASP A 54 -0.643 9.809 -10.558 1.00 1.08 C ATOM 554 CG ASP A 54 -1.620 10.922 -10.861 1.00 1.34 C ATOM 555 OD1 ASP A 54 -1.174 12.009 -11.292 1.00 1.75 O ATOM 556 OD2 ASP A 54 -2.837 10.716 -10.676 1.00 1.98 O ATOM 0 H ASP A 54 0.952 8.502 -8.005 1.00 0.71 H new ATOM 0 HA ASP A 54 0.479 10.918 -9.122 1.00 0.82 H new ATOM 0 HB2 ASP A 54 0.142 9.804 -11.314 1.00 1.08 H new ATOM 0 HB3 ASP A 54 -1.158 8.851 -10.626 1.00 1.08 H new ATOM 561 N GLU A 55 -1.731 10.943 -7.774 1.00 0.80 N ATOM 562 CA GLU A 55 -2.784 10.971 -6.769 1.00 0.79 C ATOM 563 C GLU A 55 -3.987 10.143 -7.182 1.00 0.69 C ATOM 564 O GLU A 55 -4.520 9.359 -6.394 1.00 0.71 O ATOM 565 CB GLU A 55 -3.218 12.410 -6.536 1.00 0.95 C ATOM 566 CG GLU A 55 -2.383 13.117 -5.492 1.00 0.90 C ATOM 567 CD GLU A 55 -2.828 12.804 -4.081 1.00 1.53 C ATOM 568 OE1 GLU A 55 -4.050 12.828 -3.817 1.00 2.16 O ATOM 569 OE2 GLU A 55 -1.957 12.564 -3.223 1.00 2.21 O ATOM 0 H GLU A 55 -1.533 11.851 -8.195 1.00 0.80 H new ATOM 0 HA GLU A 55 -2.382 10.539 -5.852 1.00 0.79 H new ATOM 0 HB2 GLU A 55 -3.156 12.959 -7.476 1.00 0.95 H new ATOM 0 HB3 GLU A 55 -4.263 12.423 -6.227 1.00 0.95 H new ATOM 0 HG2 GLU A 55 -1.339 12.829 -5.612 1.00 0.90 H new ATOM 0 HG3 GLU A 55 -2.438 14.193 -5.656 1.00 0.90 H new ATOM 576 N GLU A 56 -4.408 10.307 -8.420 1.00 0.70 N ATOM 577 CA GLU A 56 -5.612 9.659 -8.886 1.00 0.70 C ATOM 578 C GLU A 56 -5.329 8.235 -9.322 1.00 0.66 C ATOM 579 O GLU A 56 -6.192 7.372 -9.200 1.00 0.67 O ATOM 580 CB GLU A 56 -6.249 10.465 -10.007 1.00 0.82 C ATOM 581 CG GLU A 56 -6.808 11.794 -9.530 1.00 0.93 C ATOM 582 CD GLU A 56 -7.406 12.607 -10.654 1.00 1.33 C ATOM 583 OE1 GLU A 56 -8.551 12.309 -11.063 1.00 2.04 O ATOM 584 OE2 GLU A 56 -6.741 13.544 -11.135 1.00 1.89 O ATOM 0 H GLU A 56 -3.935 10.882 -9.117 1.00 0.70 H new ATOM 0 HA GLU A 56 -6.320 9.613 -8.059 1.00 0.70 H new ATOM 0 HB2 GLU A 56 -5.508 10.646 -10.785 1.00 0.82 H new ATOM 0 HB3 GLU A 56 -7.050 9.880 -10.459 1.00 0.82 H new ATOM 0 HG2 GLU A 56 -7.570 11.613 -8.772 1.00 0.93 H new ATOM 0 HG3 GLU A 56 -6.014 12.368 -9.053 1.00 0.93 H new ATOM 591 N GLU A 57 -4.116 7.977 -9.802 1.00 0.65 N ATOM 592 CA GLU A 57 -3.725 6.613 -10.138 1.00 0.65 C ATOM 593 C GLU A 57 -3.687 5.758 -8.880 1.00 0.55 C ATOM 594 O GLU A 57 -3.920 4.550 -8.933 1.00 0.52 O ATOM 595 CB GLU A 57 -2.375 6.560 -10.845 1.00 0.73 C ATOM 596 CG GLU A 57 -2.382 7.184 -12.228 1.00 1.11 C ATOM 597 CD GLU A 57 -1.142 6.832 -13.019 1.00 1.52 C ATOM 598 OE1 GLU A 57 -1.156 5.798 -13.722 1.00 2.13 O ATOM 599 OE2 GLU A 57 -0.148 7.577 -12.939 1.00 2.16 O ATOM 0 H GLU A 57 -3.397 8.682 -9.965 1.00 0.65 H new ATOM 0 HA GLU A 57 -4.471 6.219 -10.828 1.00 0.65 H new ATOM 0 HB2 GLU A 57 -1.633 7.070 -10.230 1.00 0.73 H new ATOM 0 HB3 GLU A 57 -2.059 5.520 -10.928 1.00 0.73 H new ATOM 0 HG2 GLU A 57 -3.265 6.849 -12.772 1.00 1.11 H new ATOM 0 HG3 GLU A 57 -2.457 8.268 -12.136 1.00 1.11 H new ATOM 606 N LEU A 58 -3.402 6.392 -7.747 1.00 0.52 N ATOM 607 CA LEU A 58 -3.495 5.720 -6.460 1.00 0.48 C ATOM 608 C LEU A 58 -4.911 5.200 -6.269 1.00 0.46 C ATOM 609 O LEU A 58 -5.115 4.049 -5.895 1.00 0.44 O ATOM 610 CB LEU A 58 -3.127 6.676 -5.318 1.00 0.52 C ATOM 611 CG LEU A 58 -3.152 6.061 -3.916 1.00 0.55 C ATOM 612 CD1 LEU A 58 -2.083 4.990 -3.776 1.00 0.83 C ATOM 613 CD2 LEU A 58 -2.965 7.135 -2.856 1.00 0.74 C ATOM 0 H LEU A 58 -3.106 7.367 -7.696 1.00 0.52 H new ATOM 0 HA LEU A 58 -2.792 4.887 -6.444 1.00 0.48 H new ATOM 0 HB2 LEU A 58 -2.129 7.072 -5.505 1.00 0.52 H new ATOM 0 HB3 LEU A 58 -3.815 7.522 -5.338 1.00 0.52 H new ATOM 0 HG LEU A 58 -4.126 5.595 -3.770 1.00 0.55 H new ATOM 0 HD11 LEU A 58 -2.120 4.568 -2.772 1.00 0.83 H new ATOM 0 HD12 LEU A 58 -2.260 4.202 -4.508 1.00 0.83 H new ATOM 0 HD13 LEU A 58 -1.101 5.431 -3.948 1.00 0.83 H new ATOM 0 HD21 LEU A 58 -2.986 6.678 -1.867 1.00 0.74 H new ATOM 0 HD22 LEU A 58 -2.006 7.631 -3.006 1.00 0.74 H new ATOM 0 HD23 LEU A 58 -3.769 7.867 -2.934 1.00 0.74 H new ATOM 625 N LYS A 59 -5.883 6.050 -6.585 1.00 0.52 N ATOM 626 CA LYS A 59 -7.295 5.702 -6.469 1.00 0.57 C ATOM 627 C LYS A 59 -7.655 4.541 -7.382 1.00 0.51 C ATOM 628 O LYS A 59 -8.589 3.786 -7.118 1.00 0.58 O ATOM 629 CB LYS A 59 -8.166 6.916 -6.800 1.00 0.69 C ATOM 630 CG LYS A 59 -7.885 8.123 -5.917 1.00 0.76 C ATOM 631 CD LYS A 59 -8.662 9.349 -6.373 1.00 0.97 C ATOM 632 CE LYS A 59 -10.164 9.142 -6.259 1.00 1.64 C ATOM 633 NZ LYS A 59 -10.921 10.331 -6.727 1.00 2.26 N ATOM 0 H LYS A 59 -5.715 6.996 -6.927 1.00 0.52 H new ATOM 0 HA LYS A 59 -7.481 5.394 -5.440 1.00 0.57 H new ATOM 0 HB2 LYS A 59 -8.008 7.193 -7.842 1.00 0.69 H new ATOM 0 HB3 LYS A 59 -9.215 6.639 -6.700 1.00 0.69 H new ATOM 0 HG2 LYS A 59 -8.149 7.888 -4.886 1.00 0.76 H new ATOM 0 HG3 LYS A 59 -6.818 8.343 -5.931 1.00 0.76 H new ATOM 0 HD2 LYS A 59 -8.367 10.210 -5.773 1.00 0.97 H new ATOM 0 HD3 LYS A 59 -8.404 9.578 -7.407 1.00 0.97 H new ATOM 0 HE2 LYS A 59 -10.457 8.271 -6.845 1.00 1.64 H new ATOM 0 HE3 LYS A 59 -10.424 8.930 -5.222 1.00 1.64 H new ATOM 0 HZ1 LYS A 59 -11.941 10.152 -6.634 1.00 2.26 H new ATOM 0 HZ2 LYS A 59 -10.661 11.157 -6.151 1.00 2.26 H new ATOM 0 HZ3 LYS A 59 -10.692 10.518 -7.724 1.00 2.26 H new ATOM 647 N LYS A 60 -6.888 4.393 -8.441 1.00 0.49 N ATOM 648 CA LYS A 60 -7.138 3.369 -9.436 1.00 0.48 C ATOM 649 C LYS A 60 -6.545 2.043 -8.993 1.00 0.41 C ATOM 650 O LYS A 60 -7.142 0.987 -9.195 1.00 0.41 O ATOM 651 CB LYS A 60 -6.543 3.820 -10.756 1.00 0.58 C ATOM 652 CG LYS A 60 -6.915 5.253 -11.072 1.00 0.72 C ATOM 653 CD LYS A 60 -8.370 5.373 -11.491 1.00 1.19 C ATOM 654 CE LYS A 60 -8.697 6.770 -11.989 1.00 1.91 C ATOM 655 NZ LYS A 60 -7.993 7.080 -13.260 1.00 2.35 N ATOM 0 H LYS A 60 -6.075 4.977 -8.637 1.00 0.49 H new ATOM 0 HA LYS A 60 -8.211 3.222 -9.557 1.00 0.48 H new ATOM 0 HB2 LYS A 60 -5.458 3.725 -10.719 1.00 0.58 H new ATOM 0 HB3 LYS A 60 -6.893 3.167 -11.556 1.00 0.58 H new ATOM 0 HG2 LYS A 60 -6.735 5.878 -10.197 1.00 0.72 H new ATOM 0 HG3 LYS A 60 -6.274 5.629 -11.869 1.00 0.72 H new ATOM 0 HD2 LYS A 60 -8.584 4.647 -12.276 1.00 1.19 H new ATOM 0 HD3 LYS A 60 -9.014 5.128 -10.646 1.00 1.19 H new ATOM 0 HE2 LYS A 60 -9.773 6.861 -12.138 1.00 1.91 H new ATOM 0 HE3 LYS A 60 -8.417 7.501 -11.231 1.00 1.91 H new ATOM 0 HZ1 LYS A 60 -8.434 7.908 -13.708 1.00 2.35 H new ATOM 0 HZ2 LYS A 60 -6.993 7.285 -13.062 1.00 2.35 H new ATOM 0 HZ3 LYS A 60 -8.059 6.264 -13.901 1.00 2.35 H new ATOM 669 N ALA A 61 -5.372 2.106 -8.376 1.00 0.40 N ATOM 670 CA ALA A 61 -4.756 0.927 -7.800 1.00 0.39 C ATOM 671 C ALA A 61 -5.575 0.462 -6.604 1.00 0.32 C ATOM 672 O ALA A 61 -5.728 -0.734 -6.362 1.00 0.34 O ATOM 673 CB ALA A 61 -3.323 1.228 -7.394 1.00 0.47 C ATOM 0 H ALA A 61 -4.831 2.963 -8.264 1.00 0.40 H new ATOM 0 HA ALA A 61 -4.734 0.128 -8.541 1.00 0.39 H new ATOM 0 HB1 ALA A 61 -2.872 0.334 -6.963 1.00 0.47 H new ATOM 0 HB2 ALA A 61 -2.753 1.535 -8.271 1.00 0.47 H new ATOM 0 HB3 ALA A 61 -3.315 2.031 -6.657 1.00 0.47 H new ATOM 679 N ILE A 62 -6.109 1.431 -5.868 1.00 0.31 N ATOM 680 CA ILE A 62 -7.011 1.160 -4.760 1.00 0.37 C ATOM 681 C ILE A 62 -8.269 0.450 -5.256 1.00 0.36 C ATOM 682 O ILE A 62 -8.660 -0.582 -4.717 1.00 0.38 O ATOM 683 CB ILE A 62 -7.396 2.468 -4.028 1.00 0.49 C ATOM 684 CG1 ILE A 62 -6.181 3.047 -3.302 1.00 0.45 C ATOM 685 CG2 ILE A 62 -8.536 2.233 -3.051 1.00 0.83 C ATOM 686 CD1 ILE A 62 -6.429 4.406 -2.686 1.00 0.53 C ATOM 0 H ILE A 62 -5.928 2.423 -6.024 1.00 0.31 H new ATOM 0 HA ILE A 62 -6.492 0.510 -4.056 1.00 0.37 H new ATOM 0 HB ILE A 62 -7.735 3.187 -4.774 1.00 0.49 H new ATOM 0 HG12 ILE A 62 -5.873 2.354 -2.519 1.00 0.45 H new ATOM 0 HG13 ILE A 62 -5.351 3.123 -4.005 1.00 0.45 H new ATOM 0 HG21 ILE A 62 -8.785 3.169 -2.551 1.00 0.83 H new ATOM 0 HG22 ILE A 62 -9.409 1.866 -3.592 1.00 0.83 H new ATOM 0 HG23 ILE A 62 -8.233 1.495 -2.309 1.00 0.83 H new ATOM 0 HD11 ILE A 62 -5.522 4.751 -2.189 1.00 0.53 H new ATOM 0 HD12 ILE A 62 -6.707 5.114 -3.467 1.00 0.53 H new ATOM 0 HD13 ILE A 62 -7.237 4.333 -1.958 1.00 0.53 H new ATOM 698 N LYS A 63 -8.886 1.000 -6.298 1.00 0.37 N ATOM 699 CA LYS A 63 -10.085 0.405 -6.884 1.00 0.40 C ATOM 700 C LYS A 63 -9.775 -0.983 -7.445 1.00 0.35 C ATOM 701 O LYS A 63 -10.612 -1.886 -7.392 1.00 0.40 O ATOM 702 CB LYS A 63 -10.647 1.308 -7.987 1.00 0.49 C ATOM 703 CG LYS A 63 -11.981 0.834 -8.548 1.00 0.59 C ATOM 704 CD LYS A 63 -12.453 1.700 -9.710 1.00 1.21 C ATOM 705 CE LYS A 63 -12.740 3.133 -9.280 1.00 1.94 C ATOM 706 NZ LYS A 63 -13.834 3.212 -8.273 1.00 2.76 N ATOM 0 H LYS A 63 -8.576 1.858 -6.755 1.00 0.37 H new ATOM 0 HA LYS A 63 -10.836 0.304 -6.100 1.00 0.40 H new ATOM 0 HB2 LYS A 63 -10.767 2.317 -7.592 1.00 0.49 H new ATOM 0 HB3 LYS A 63 -9.922 1.368 -8.799 1.00 0.49 H new ATOM 0 HG2 LYS A 63 -11.887 -0.200 -8.881 1.00 0.59 H new ATOM 0 HG3 LYS A 63 -12.732 0.847 -7.758 1.00 0.59 H new ATOM 0 HD2 LYS A 63 -11.693 1.702 -10.491 1.00 1.21 H new ATOM 0 HD3 LYS A 63 -13.354 1.265 -10.143 1.00 1.21 H new ATOM 0 HE2 LYS A 63 -11.834 3.574 -8.864 1.00 1.94 H new ATOM 0 HE3 LYS A 63 -13.010 3.725 -10.154 1.00 1.94 H new ATOM 0 HZ1 LYS A 63 -14.109 4.206 -8.137 1.00 2.76 H new ATOM 0 HZ2 LYS A 63 -14.655 2.668 -8.609 1.00 2.76 H new ATOM 0 HZ3 LYS A 63 -13.503 2.817 -7.369 1.00 2.76 H new ATOM 720 N LYS A 64 -8.567 -1.142 -7.974 1.00 0.34 N ATOM 721 CA LYS A 64 -8.116 -2.427 -8.497 1.00 0.39 C ATOM 722 C LYS A 64 -7.975 -3.439 -7.365 1.00 0.35 C ATOM 723 O LYS A 64 -8.474 -4.558 -7.457 1.00 0.40 O ATOM 724 CB LYS A 64 -6.780 -2.262 -9.228 1.00 0.51 C ATOM 725 CG LYS A 64 -6.247 -3.550 -9.832 1.00 1.05 C ATOM 726 CD LYS A 64 -4.922 -3.324 -10.540 1.00 1.04 C ATOM 727 CE LYS A 64 -4.394 -4.605 -11.167 1.00 1.59 C ATOM 728 NZ LYS A 64 -5.300 -5.131 -12.223 1.00 2.11 N ATOM 0 H LYS A 64 -7.879 -0.393 -8.052 1.00 0.34 H new ATOM 0 HA LYS A 64 -8.859 -2.795 -9.204 1.00 0.39 H new ATOM 0 HB2 LYS A 64 -6.899 -1.523 -10.020 1.00 0.51 H new ATOM 0 HB3 LYS A 64 -6.042 -1.866 -8.531 1.00 0.51 H new ATOM 0 HG2 LYS A 64 -6.119 -4.296 -9.047 1.00 1.05 H new ATOM 0 HG3 LYS A 64 -6.975 -3.951 -10.538 1.00 1.05 H new ATOM 0 HD2 LYS A 64 -5.047 -2.565 -11.313 1.00 1.04 H new ATOM 0 HD3 LYS A 64 -4.191 -2.938 -9.830 1.00 1.04 H new ATOM 0 HE2 LYS A 64 -3.410 -4.418 -11.596 1.00 1.59 H new ATOM 0 HE3 LYS A 64 -4.266 -5.360 -10.392 1.00 1.59 H new ATOM 0 HZ1 LYS A 64 -4.813 -5.878 -12.758 1.00 2.11 H new ATOM 0 HZ2 LYS A 64 -6.156 -5.523 -11.782 1.00 2.11 H new ATOM 0 HZ3 LYS A 64 -5.565 -4.360 -12.869 1.00 2.11 H new ATOM 742 N ALA A 65 -7.298 -3.033 -6.296 1.00 0.30 N ATOM 743 CA ALA A 65 -7.126 -3.883 -5.123 1.00 0.30 C ATOM 744 C ALA A 65 -8.477 -4.239 -4.517 1.00 0.33 C ATOM 745 O ALA A 65 -8.714 -5.379 -4.113 1.00 0.38 O ATOM 746 CB ALA A 65 -6.249 -3.184 -4.095 1.00 0.31 C ATOM 0 H ALA A 65 -6.858 -2.116 -6.218 1.00 0.30 H new ATOM 0 HA ALA A 65 -6.636 -4.807 -5.431 1.00 0.30 H new ATOM 0 HB1 ALA A 65 -6.127 -3.827 -3.223 1.00 0.31 H new ATOM 0 HB2 ALA A 65 -5.272 -2.975 -4.532 1.00 0.31 H new ATOM 0 HB3 ALA A 65 -6.719 -2.248 -3.792 1.00 0.31 H new ATOM 752 N ASP A 66 -9.360 -3.248 -4.475 1.00 0.35 N ATOM 753 CA ASP A 66 -10.721 -3.430 -3.986 1.00 0.41 C ATOM 754 C ASP A 66 -11.449 -4.486 -4.815 1.00 0.40 C ATOM 755 O ASP A 66 -12.229 -5.281 -4.289 1.00 0.47 O ATOM 756 CB ASP A 66 -11.469 -2.091 -4.046 1.00 0.48 C ATOM 757 CG ASP A 66 -12.885 -2.167 -3.512 1.00 0.55 C ATOM 758 OD1 ASP A 66 -13.834 -2.212 -4.328 1.00 1.11 O ATOM 759 OD2 ASP A 66 -13.060 -2.161 -2.275 1.00 1.36 O ATOM 0 H ASP A 66 -9.153 -2.297 -4.779 1.00 0.35 H new ATOM 0 HA ASP A 66 -10.687 -3.774 -2.952 1.00 0.41 H new ATOM 0 HB2 ASP A 66 -10.913 -1.347 -3.475 1.00 0.48 H new ATOM 0 HB3 ASP A 66 -11.497 -1.745 -5.079 1.00 0.48 H new ATOM 764 N ASP A 67 -11.166 -4.503 -6.112 1.00 0.36 N ATOM 765 CA ASP A 67 -11.764 -5.474 -7.020 1.00 0.38 C ATOM 766 C ASP A 67 -11.215 -6.869 -6.754 1.00 0.40 C ATOM 767 O ASP A 67 -11.975 -7.831 -6.627 1.00 0.48 O ATOM 768 CB ASP A 67 -11.493 -5.085 -8.476 1.00 0.42 C ATOM 769 CG ASP A 67 -12.080 -6.076 -9.461 1.00 0.95 C ATOM 770 OD1 ASP A 67 -11.368 -7.017 -9.864 1.00 1.66 O ATOM 771 OD2 ASP A 67 -13.261 -5.911 -9.837 1.00 1.68 O ATOM 0 H ASP A 67 -10.522 -3.851 -6.560 1.00 0.36 H new ATOM 0 HA ASP A 67 -12.840 -5.478 -6.846 1.00 0.38 H new ATOM 0 HB2 ASP A 67 -11.910 -4.096 -8.668 1.00 0.42 H new ATOM 0 HB3 ASP A 67 -10.417 -5.013 -8.635 1.00 0.42 H new ATOM 776 N ILE A 68 -9.890 -6.961 -6.657 1.00 0.37 N ATOM 777 CA ILE A 68 -9.209 -8.233 -6.444 1.00 0.41 C ATOM 778 C ILE A 68 -9.721 -8.922 -5.182 1.00 0.41 C ATOM 779 O ILE A 68 -10.001 -10.123 -5.182 1.00 0.47 O ATOM 780 CB ILE A 68 -7.681 -8.034 -6.317 1.00 0.43 C ATOM 781 CG1 ILE A 68 -7.120 -7.325 -7.553 1.00 0.46 C ATOM 782 CG2 ILE A 68 -6.983 -9.373 -6.113 1.00 0.48 C ATOM 783 CD1 ILE A 68 -5.650 -6.969 -7.444 1.00 0.51 C ATOM 0 H ILE A 68 -9.263 -6.160 -6.724 1.00 0.37 H new ATOM 0 HA ILE A 68 -9.420 -8.858 -7.312 1.00 0.41 H new ATOM 0 HB ILE A 68 -7.492 -7.406 -5.446 1.00 0.43 H new ATOM 0 HG12 ILE A 68 -7.265 -7.965 -8.424 1.00 0.46 H new ATOM 0 HG13 ILE A 68 -7.692 -6.414 -7.728 1.00 0.46 H new ATOM 0 HG21 ILE A 68 -5.908 -9.213 -6.026 1.00 0.48 H new ATOM 0 HG22 ILE A 68 -7.355 -9.842 -5.202 1.00 0.48 H new ATOM 0 HG23 ILE A 68 -7.185 -10.022 -6.965 1.00 0.48 H new ATOM 0 HD11 ILE A 68 -5.328 -6.470 -8.358 1.00 0.51 H new ATOM 0 HD12 ILE A 68 -5.499 -6.303 -6.595 1.00 0.51 H new ATOM 0 HD13 ILE A 68 -5.065 -7.878 -7.301 1.00 0.51 H new ATOM 795 N ALA A 69 -9.855 -8.144 -4.116 1.00 0.39 N ATOM 796 CA ALA A 69 -10.274 -8.669 -2.827 1.00 0.43 C ATOM 797 C ALA A 69 -11.717 -9.151 -2.853 1.00 0.47 C ATOM 798 O ALA A 69 -11.991 -10.313 -2.570 1.00 0.53 O ATOM 799 CB ALA A 69 -10.103 -7.611 -1.749 1.00 0.46 C ATOM 0 H ALA A 69 -9.678 -7.140 -4.121 1.00 0.39 H new ATOM 0 HA ALA A 69 -9.640 -9.526 -2.601 1.00 0.43 H new ATOM 0 HB1 ALA A 69 -10.420 -8.016 -0.788 1.00 0.46 H new ATOM 0 HB2 ALA A 69 -9.055 -7.317 -1.691 1.00 0.46 H new ATOM 0 HB3 ALA A 69 -10.711 -6.740 -1.994 1.00 0.46 H new ATOM 805 N LYS A 70 -12.628 -8.266 -3.222 1.00 0.52 N ATOM 806 CA LYS A 70 -14.064 -8.527 -3.100 1.00 0.65 C ATOM 807 C LYS A 70 -14.531 -9.738 -3.872 1.00 0.63 C ATOM 808 O LYS A 70 -15.485 -10.399 -3.459 1.00 0.72 O ATOM 809 CB LYS A 70 -14.854 -7.316 -3.552 1.00 0.87 C ATOM 810 CG LYS A 70 -14.811 -6.174 -2.559 1.00 1.09 C ATOM 811 CD LYS A 70 -15.510 -4.939 -3.088 1.00 1.14 C ATOM 812 CE LYS A 70 -15.594 -3.875 -2.013 1.00 1.14 C ATOM 813 NZ LYS A 70 -15.941 -2.545 -2.568 1.00 1.50 N ATOM 0 H LYS A 70 -12.402 -7.351 -3.612 1.00 0.52 H new ATOM 0 HA LYS A 70 -14.241 -8.735 -2.045 1.00 0.65 H new ATOM 0 HB2 LYS A 70 -14.463 -6.972 -4.510 1.00 0.87 H new ATOM 0 HB3 LYS A 70 -15.891 -7.607 -3.717 1.00 0.87 H new ATOM 0 HG2 LYS A 70 -15.281 -6.486 -1.626 1.00 1.09 H new ATOM 0 HG3 LYS A 70 -13.773 -5.933 -2.328 1.00 1.09 H new ATOM 0 HD2 LYS A 70 -14.970 -4.550 -3.951 1.00 1.14 H new ATOM 0 HD3 LYS A 70 -16.512 -5.199 -3.429 1.00 1.14 H new ATOM 0 HE2 LYS A 70 -16.342 -4.165 -1.275 1.00 1.14 H new ATOM 0 HE3 LYS A 70 -14.639 -3.811 -1.492 1.00 1.14 H new ATOM 0 HZ1 LYS A 70 -15.822 -1.820 -1.832 1.00 1.50 H new ATOM 0 HZ2 LYS A 70 -15.315 -2.330 -3.370 1.00 1.50 H new ATOM 0 HZ3 LYS A 70 -16.929 -2.551 -2.892 1.00 1.50 H new ATOM 827 N LYS A 71 -13.885 -10.032 -4.984 1.00 0.62 N ATOM 828 CA LYS A 71 -14.271 -11.185 -5.768 1.00 0.76 C ATOM 829 C LYS A 71 -14.179 -12.448 -4.921 1.00 0.83 C ATOM 830 O LYS A 71 -14.988 -13.364 -5.064 1.00 1.03 O ATOM 831 CB LYS A 71 -13.401 -11.320 -7.019 1.00 0.84 C ATOM 832 CG LYS A 71 -13.558 -10.167 -8.000 1.00 1.26 C ATOM 833 CD LYS A 71 -12.895 -10.464 -9.338 1.00 1.71 C ATOM 834 CE LYS A 71 -11.398 -10.682 -9.197 1.00 2.27 C ATOM 835 NZ LYS A 71 -10.776 -11.081 -10.485 1.00 2.71 N ATOM 0 H LYS A 71 -13.102 -9.496 -5.359 1.00 0.62 H new ATOM 0 HA LYS A 71 -15.303 -11.046 -6.091 1.00 0.76 H new ATOM 0 HB2 LYS A 71 -12.356 -11.390 -6.718 1.00 0.84 H new ATOM 0 HB3 LYS A 71 -13.650 -12.253 -7.525 1.00 0.84 H new ATOM 0 HG2 LYS A 71 -14.618 -9.966 -8.157 1.00 1.26 H new ATOM 0 HG3 LYS A 71 -13.122 -9.264 -7.572 1.00 1.26 H new ATOM 0 HD2 LYS A 71 -13.350 -11.351 -9.779 1.00 1.71 H new ATOM 0 HD3 LYS A 71 -13.078 -9.637 -10.024 1.00 1.71 H new ATOM 0 HE2 LYS A 71 -10.930 -9.767 -8.835 1.00 2.27 H new ATOM 0 HE3 LYS A 71 -11.212 -11.453 -8.449 1.00 2.27 H new ATOM 0 HZ1 LYS A 71 -9.754 -11.221 -10.349 1.00 2.71 H new ATOM 0 HZ2 LYS A 71 -11.205 -11.968 -10.818 1.00 2.71 H new ATOM 0 HZ3 LYS A 71 -10.932 -10.334 -11.192 1.00 2.71 H new ATOM 849 N GLN A 72 -13.187 -12.498 -4.039 1.00 0.79 N ATOM 850 CA GLN A 72 -12.977 -13.700 -3.236 1.00 1.04 C ATOM 851 C GLN A 72 -12.918 -13.463 -1.714 1.00 1.06 C ATOM 852 O GLN A 72 -13.655 -14.091 -0.954 1.00 1.22 O ATOM 853 CB GLN A 72 -11.700 -14.409 -3.695 1.00 1.24 C ATOM 854 CG GLN A 72 -10.500 -13.487 -3.843 1.00 1.20 C ATOM 855 CD GLN A 72 -9.228 -14.240 -4.172 1.00 1.56 C ATOM 856 OE1 GLN A 72 -8.475 -14.631 -3.278 1.00 2.22 O ATOM 857 NE2 GLN A 72 -8.986 -14.463 -5.452 1.00 1.60 N ATOM 0 H GLN A 72 -12.528 -11.740 -3.863 1.00 0.79 H new ATOM 0 HA GLN A 72 -13.857 -14.321 -3.403 1.00 1.04 H new ATOM 0 HB2 GLN A 72 -11.456 -15.195 -2.980 1.00 1.24 H new ATOM 0 HB3 GLN A 72 -11.891 -14.896 -4.651 1.00 1.24 H new ATOM 0 HG2 GLN A 72 -10.700 -12.758 -4.628 1.00 1.20 H new ATOM 0 HG3 GLN A 72 -10.359 -12.928 -2.918 1.00 1.20 H new ATOM 0 HE21 GLN A 72 -9.635 -14.122 -6.161 1.00 1.60 H new ATOM 0 HE22 GLN A 72 -8.150 -14.976 -5.731 1.00 1.60 H new ATOM 866 N ASN A 73 -12.036 -12.568 -1.283 1.00 1.03 N ATOM 867 CA ASN A 73 -11.569 -12.564 0.105 1.00 1.18 C ATOM 868 C ASN A 73 -11.929 -11.306 0.905 1.00 1.00 C ATOM 869 O ASN A 73 -11.361 -11.077 1.967 1.00 1.24 O ATOM 870 CB ASN A 73 -10.059 -12.807 0.134 1.00 1.56 C ATOM 871 CG ASN A 73 -9.587 -13.438 1.431 1.00 1.73 C ATOM 872 OD1 ASN A 73 -9.202 -12.749 2.371 1.00 2.41 O ATOM 873 ND2 ASN A 73 -9.603 -14.761 1.484 1.00 2.12 N ATOM 0 H ASN A 73 -11.630 -11.838 -1.868 1.00 1.03 H new ATOM 0 HA ASN A 73 -12.101 -13.373 0.605 1.00 1.18 H new ATOM 0 HB2 ASN A 73 -9.784 -13.453 -0.700 1.00 1.56 H new ATOM 0 HB3 ASN A 73 -9.541 -11.859 -0.013 1.00 1.56 H new ATOM 0 HD21 ASN A 73 -9.288 -15.241 2.327 1.00 2.12 H new ATOM 0 HD22 ASN A 73 -9.930 -15.300 0.682 1.00 2.12 H new ATOM 880 N SER A 74 -12.833 -10.477 0.406 1.00 1.13 N ATOM 881 CA SER A 74 -13.108 -9.183 1.046 1.00 1.53 C ATOM 882 C SER A 74 -13.727 -9.281 2.452 1.00 1.47 C ATOM 883 O SER A 74 -14.222 -8.278 2.973 1.00 1.93 O ATOM 884 CB SER A 74 -14.006 -8.341 0.155 1.00 2.50 C ATOM 885 OG SER A 74 -15.062 -9.122 -0.377 1.00 3.38 O ATOM 0 H SER A 74 -13.387 -10.666 -0.429 1.00 1.13 H new ATOM 0 HA SER A 74 -12.134 -8.712 1.177 1.00 1.53 H new ATOM 0 HB2 SER A 74 -14.416 -7.508 0.727 1.00 2.50 H new ATOM 0 HB3 SER A 74 -13.420 -7.912 -0.658 1.00 2.50 H new ATOM 0 HG SER A 74 -15.754 -8.532 -0.742 1.00 3.38 H new ATOM 891 N SER A 75 -13.702 -10.463 3.066 1.00 1.40 N ATOM 892 CA SER A 75 -14.097 -10.597 4.462 1.00 2.05 C ATOM 893 C SER A 75 -13.210 -9.696 5.314 1.00 1.90 C ATOM 894 O SER A 75 -13.674 -9.017 6.233 1.00 2.43 O ATOM 895 CB SER A 75 -13.981 -12.057 4.912 1.00 2.46 C ATOM 896 OG SER A 75 -12.704 -12.592 4.595 1.00 2.75 O ATOM 0 H SER A 75 -13.414 -11.334 2.620 1.00 1.40 H new ATOM 0 HA SER A 75 -15.137 -10.295 4.580 1.00 2.05 H new ATOM 0 HB2 SER A 75 -14.150 -12.124 5.987 1.00 2.46 H new ATOM 0 HB3 SER A 75 -14.757 -12.652 4.430 1.00 2.46 H new ATOM 0 HG SER A 75 -12.656 -13.524 4.894 1.00 2.75 H new ATOM 902 N GLU A 76 -11.928 -9.691 4.974 1.00 1.26 N ATOM 903 CA GLU A 76 -10.978 -8.754 5.538 1.00 1.12 C ATOM 904 C GLU A 76 -9.857 -8.510 4.544 1.00 0.74 C ATOM 905 O GLU A 76 -9.117 -9.426 4.184 1.00 0.88 O ATOM 906 CB GLU A 76 -10.395 -9.252 6.861 1.00 1.46 C ATOM 907 CG GLU A 76 -9.428 -8.258 7.485 1.00 1.50 C ATOM 908 CD GLU A 76 -8.706 -8.814 8.687 1.00 2.10 C ATOM 909 OE1 GLU A 76 -7.608 -9.373 8.520 1.00 2.76 O ATOM 910 OE2 GLU A 76 -9.226 -8.684 9.813 1.00 2.59 O ATOM 0 H GLU A 76 -11.522 -10.339 4.299 1.00 1.26 H new ATOM 0 HA GLU A 76 -11.509 -7.825 5.743 1.00 1.12 H new ATOM 0 HB2 GLU A 76 -11.207 -9.451 7.560 1.00 1.46 H new ATOM 0 HB3 GLU A 76 -9.880 -10.198 6.694 1.00 1.46 H new ATOM 0 HG2 GLU A 76 -8.696 -7.953 6.737 1.00 1.50 H new ATOM 0 HG3 GLU A 76 -9.975 -7.362 7.779 1.00 1.50 H new ATOM 917 N ALA A 77 -9.746 -7.279 4.091 1.00 0.55 N ATOM 918 CA ALA A 77 -8.697 -6.908 3.168 1.00 0.44 C ATOM 919 C ALA A 77 -7.790 -5.875 3.806 1.00 0.37 C ATOM 920 O ALA A 77 -8.244 -4.806 4.217 1.00 0.42 O ATOM 921 CB ALA A 77 -9.293 -6.377 1.872 1.00 0.71 C ATOM 0 H ALA A 77 -10.372 -6.516 4.349 1.00 0.55 H new ATOM 0 HA ALA A 77 -8.105 -7.792 2.931 1.00 0.44 H new ATOM 0 HB1 ALA A 77 -8.490 -6.102 1.188 1.00 0.71 H new ATOM 0 HB2 ALA A 77 -9.912 -7.148 1.414 1.00 0.71 H new ATOM 0 HB3 ALA A 77 -9.904 -5.500 2.085 1.00 0.71 H new ATOM 927 N LYS A 78 -6.518 -6.203 3.924 1.00 0.35 N ATOM 928 CA LYS A 78 -5.555 -5.259 4.448 1.00 0.37 C ATOM 929 C LYS A 78 -4.750 -4.668 3.306 1.00 0.33 C ATOM 930 O LYS A 78 -4.085 -5.387 2.559 1.00 0.37 O ATOM 931 CB LYS A 78 -4.617 -5.911 5.463 1.00 0.50 C ATOM 932 CG LYS A 78 -5.284 -6.338 6.760 1.00 0.63 C ATOM 933 CD LYS A 78 -4.242 -6.583 7.840 1.00 0.89 C ATOM 934 CE LYS A 78 -4.870 -6.967 9.169 1.00 1.04 C ATOM 935 NZ LYS A 78 -5.277 -8.397 9.214 1.00 1.67 N ATOM 0 H LYS A 78 -6.131 -7.111 3.665 1.00 0.35 H new ATOM 0 HA LYS A 78 -6.103 -4.470 4.964 1.00 0.37 H new ATOM 0 HB2 LYS A 78 -4.156 -6.785 5.002 1.00 0.50 H new ATOM 0 HB3 LYS A 78 -3.814 -5.212 5.696 1.00 0.50 H new ATOM 0 HG2 LYS A 78 -5.982 -5.567 7.088 1.00 0.63 H new ATOM 0 HG3 LYS A 78 -5.866 -7.245 6.595 1.00 0.63 H new ATOM 0 HD2 LYS A 78 -3.566 -7.375 7.517 1.00 0.89 H new ATOM 0 HD3 LYS A 78 -3.639 -5.684 7.971 1.00 0.89 H new ATOM 0 HE2 LYS A 78 -4.161 -6.769 9.973 1.00 1.04 H new ATOM 0 HE3 LYS A 78 -5.742 -6.338 9.350 1.00 1.04 H new ATOM 0 HZ1 LYS A 78 -5.443 -8.680 10.201 1.00 1.67 H new ATOM 0 HZ2 LYS A 78 -6.151 -8.527 8.665 1.00 1.67 H new ATOM 0 HZ3 LYS A 78 -4.522 -8.986 8.808 1.00 1.67 H new ATOM 949 N ILE A 79 -4.831 -3.362 3.161 1.00 0.29 N ATOM 950 CA ILE A 79 -4.097 -2.673 2.123 1.00 0.29 C ATOM 951 C ILE A 79 -3.073 -1.738 2.753 1.00 0.29 C ATOM 952 O ILE A 79 -3.387 -1.001 3.688 1.00 0.40 O ATOM 953 CB ILE A 79 -5.043 -1.869 1.199 1.00 0.31 C ATOM 954 CG1 ILE A 79 -6.126 -2.783 0.614 1.00 0.37 C ATOM 955 CG2 ILE A 79 -4.257 -1.192 0.082 1.00 0.35 C ATOM 956 CD1 ILE A 79 -7.127 -2.062 -0.266 1.00 0.49 C ATOM 0 H ILE A 79 -5.400 -2.755 3.751 1.00 0.29 H new ATOM 0 HA ILE A 79 -3.589 -3.421 1.515 1.00 0.29 H new ATOM 0 HB ILE A 79 -5.527 -1.095 1.795 1.00 0.31 H new ATOM 0 HG12 ILE A 79 -5.648 -3.571 0.033 1.00 0.37 H new ATOM 0 HG13 ILE A 79 -6.659 -3.268 1.432 1.00 0.37 H new ATOM 0 HG21 ILE A 79 -4.941 -0.632 -0.556 1.00 0.35 H new ATOM 0 HG22 ILE A 79 -3.524 -0.511 0.514 1.00 0.35 H new ATOM 0 HG23 ILE A 79 -3.744 -1.948 -0.512 1.00 0.35 H new ATOM 0 HD11 ILE A 79 -7.861 -2.775 -0.642 1.00 0.49 H new ATOM 0 HD12 ILE A 79 -7.634 -1.292 0.315 1.00 0.49 H new ATOM 0 HD13 ILE A 79 -6.607 -1.600 -1.105 1.00 0.49 H new ATOM 968 N LEU A 80 -1.847 -1.806 2.276 1.00 0.23 N ATOM 969 CA LEU A 80 -0.801 -0.912 2.735 1.00 0.28 C ATOM 970 C LEU A 80 -0.475 0.096 1.642 1.00 0.30 C ATOM 971 O LEU A 80 -0.114 -0.284 0.533 1.00 0.45 O ATOM 972 CB LEU A 80 0.453 -1.712 3.106 1.00 0.40 C ATOM 973 CG LEU A 80 1.587 -0.899 3.735 1.00 0.57 C ATOM 974 CD1 LEU A 80 1.182 -0.382 5.105 1.00 1.22 C ATOM 975 CD2 LEU A 80 2.850 -1.739 3.834 1.00 1.40 C ATOM 0 H LEU A 80 -1.548 -2.475 1.566 1.00 0.23 H new ATOM 0 HA LEU A 80 -1.149 -0.380 3.621 1.00 0.28 H new ATOM 0 HB2 LEU A 80 0.167 -2.503 3.800 1.00 0.40 H new ATOM 0 HB3 LEU A 80 0.832 -2.198 2.207 1.00 0.40 H new ATOM 0 HG LEU A 80 1.791 -0.041 3.094 1.00 0.57 H new ATOM 0 HD11 LEU A 80 2.003 0.193 5.534 1.00 1.22 H new ATOM 0 HD12 LEU A 80 0.304 0.256 5.008 1.00 1.22 H new ATOM 0 HD13 LEU A 80 0.949 -1.224 5.757 1.00 1.22 H new ATOM 0 HD21 LEU A 80 3.647 -1.146 4.283 1.00 1.40 H new ATOM 0 HD22 LEU A 80 2.657 -2.615 4.453 1.00 1.40 H new ATOM 0 HD23 LEU A 80 3.154 -2.059 2.837 1.00 1.40 H new ATOM 987 N ILE A 81 -0.630 1.373 1.939 1.00 0.27 N ATOM 988 CA ILE A 81 -0.300 2.408 0.973 1.00 0.27 C ATOM 989 C ILE A 81 1.009 3.078 1.360 1.00 0.27 C ATOM 990 O ILE A 81 1.053 3.925 2.251 1.00 0.33 O ATOM 991 CB ILE A 81 -1.423 3.464 0.839 1.00 0.29 C ATOM 992 CG1 ILE A 81 -2.675 2.830 0.226 1.00 0.28 C ATOM 993 CG2 ILE A 81 -0.958 4.640 -0.016 1.00 0.34 C ATOM 994 CD1 ILE A 81 -3.870 3.759 0.177 1.00 0.38 C ATOM 0 H ILE A 81 -0.979 1.718 2.833 1.00 0.27 H new ATOM 0 HA ILE A 81 -0.193 1.928 0.000 1.00 0.27 H new ATOM 0 HB ILE A 81 -1.666 3.836 1.835 1.00 0.29 H new ATOM 0 HG12 ILE A 81 -2.444 2.497 -0.786 1.00 0.28 H new ATOM 0 HG13 ILE A 81 -2.940 1.943 0.801 1.00 0.28 H new ATOM 0 HG21 ILE A 81 -1.762 5.371 -0.098 1.00 0.34 H new ATOM 0 HG22 ILE A 81 -0.089 5.107 0.449 1.00 0.34 H new ATOM 0 HG23 ILE A 81 -0.690 4.283 -1.010 1.00 0.34 H new ATOM 0 HD11 ILE A 81 -4.717 3.239 -0.270 1.00 0.38 H new ATOM 0 HD12 ILE A 81 -4.129 4.072 1.188 1.00 0.38 H new ATOM 0 HD13 ILE A 81 -3.625 4.635 -0.423 1.00 0.38 H new ATOM 1006 N LEU A 82 2.073 2.664 0.702 1.00 0.27 N ATOM 1007 CA LEU A 82 3.395 3.204 0.951 1.00 0.31 C ATOM 1008 C LEU A 82 3.632 4.370 0.002 1.00 0.34 C ATOM 1009 O LEU A 82 3.344 4.272 -1.185 1.00 0.59 O ATOM 1010 CB LEU A 82 4.441 2.096 0.741 1.00 0.43 C ATOM 1011 CG LEU A 82 5.823 2.319 1.371 1.00 0.76 C ATOM 1012 CD1 LEU A 82 6.592 3.419 0.654 1.00 1.61 C ATOM 1013 CD2 LEU A 82 5.689 2.636 2.854 1.00 1.08 C ATOM 0 H LEU A 82 2.046 1.944 -0.020 1.00 0.27 H new ATOM 0 HA LEU A 82 3.479 3.564 1.977 1.00 0.31 H new ATOM 0 HB2 LEU A 82 4.034 1.165 1.136 1.00 0.43 H new ATOM 0 HB3 LEU A 82 4.576 1.955 -0.331 1.00 0.43 H new ATOM 0 HG LEU A 82 6.391 1.395 1.262 1.00 0.76 H new ATOM 0 HD11 LEU A 82 7.565 3.550 1.127 1.00 1.61 H new ATOM 0 HD12 LEU A 82 6.730 3.144 -0.392 1.00 1.61 H new ATOM 0 HD13 LEU A 82 6.032 4.352 0.713 1.00 1.61 H new ATOM 0 HD21 LEU A 82 6.679 2.791 3.284 1.00 1.08 H new ATOM 0 HD22 LEU A 82 5.093 3.540 2.980 1.00 1.08 H new ATOM 0 HD23 LEU A 82 5.199 1.805 3.361 1.00 1.08 H new ATOM 1025 N LEU A 83 4.125 5.479 0.518 1.00 0.35 N ATOM 1026 CA LEU A 83 4.384 6.637 -0.321 1.00 0.42 C ATOM 1027 C LEU A 83 5.328 7.614 0.352 1.00 0.44 C ATOM 1028 O LEU A 83 5.665 7.465 1.528 1.00 0.55 O ATOM 1029 CB LEU A 83 3.063 7.340 -0.689 1.00 0.45 C ATOM 1030 CG LEU A 83 2.008 7.447 0.425 1.00 0.49 C ATOM 1031 CD1 LEU A 83 2.467 8.364 1.545 1.00 1.17 C ATOM 1032 CD2 LEU A 83 0.688 7.938 -0.150 1.00 1.13 C ATOM 0 H LEU A 83 4.353 5.605 1.504 1.00 0.35 H new ATOM 0 HA LEU A 83 4.865 6.283 -1.233 1.00 0.42 H new ATOM 0 HB2 LEU A 83 3.297 8.347 -1.035 1.00 0.45 H new ATOM 0 HB3 LEU A 83 2.618 6.810 -1.531 1.00 0.45 H new ATOM 0 HG LEU A 83 1.868 6.452 0.848 1.00 0.49 H new ATOM 0 HD11 LEU A 83 1.695 8.414 2.313 1.00 1.17 H new ATOM 0 HD12 LEU A 83 3.387 7.974 1.980 1.00 1.17 H new ATOM 0 HD13 LEU A 83 2.648 9.362 1.147 1.00 1.17 H new ATOM 0 HD21 LEU A 83 -0.052 8.010 0.647 1.00 1.13 H new ATOM 0 HD22 LEU A 83 0.831 8.919 -0.602 1.00 1.13 H new ATOM 0 HD23 LEU A 83 0.338 7.237 -0.908 1.00 1.13 H new ATOM 1044 N GLU A 84 5.772 8.599 -0.409 1.00 0.43 N ATOM 1045 CA GLU A 84 6.476 9.724 0.163 1.00 0.45 C ATOM 1046 C GLU A 84 5.603 10.953 0.006 1.00 0.47 C ATOM 1047 O GLU A 84 5.494 11.510 -1.087 1.00 0.54 O ATOM 1048 CB GLU A 84 7.818 9.942 -0.539 1.00 0.55 C ATOM 1049 CG GLU A 84 8.791 8.788 -0.382 1.00 1.29 C ATOM 1050 CD GLU A 84 10.119 9.061 -1.056 1.00 1.47 C ATOM 1051 OE1 GLU A 84 10.316 8.600 -2.199 1.00 1.94 O ATOM 1052 OE2 GLU A 84 10.971 9.745 -0.447 1.00 2.04 O ATOM 0 H GLU A 84 5.656 8.639 -1.422 1.00 0.43 H new ATOM 0 HA GLU A 84 6.681 9.532 1.216 1.00 0.45 H new ATOM 0 HB2 GLU A 84 7.638 10.110 -1.601 1.00 0.55 H new ATOM 0 HB3 GLU A 84 8.279 10.848 -0.146 1.00 0.55 H new ATOM 0 HG2 GLU A 84 8.957 8.597 0.678 1.00 1.29 H new ATOM 0 HG3 GLU A 84 8.351 7.884 -0.804 1.00 1.29 H new ATOM 1059 N LYS A 85 4.978 11.351 1.099 1.00 0.45 N ATOM 1060 CA LYS A 85 4.071 12.481 1.112 1.00 0.56 C ATOM 1061 C LYS A 85 3.648 12.768 2.546 1.00 0.53 C ATOM 1062 O LYS A 85 3.444 11.832 3.318 1.00 0.53 O ATOM 1063 CB LYS A 85 2.831 12.161 0.276 1.00 0.74 C ATOM 1064 CG LYS A 85 1.872 13.324 0.152 1.00 1.00 C ATOM 1065 CD LYS A 85 0.546 12.894 -0.443 1.00 0.91 C ATOM 1066 CE LYS A 85 -0.410 14.070 -0.552 1.00 1.66 C ATOM 1067 NZ LYS A 85 -1.801 13.640 -0.850 1.00 2.02 N ATOM 0 H LYS A 85 5.087 10.897 2.006 1.00 0.45 H new ATOM 0 HA LYS A 85 4.574 13.352 0.692 1.00 0.56 H new ATOM 0 HB2 LYS A 85 3.144 11.851 -0.721 1.00 0.74 H new ATOM 0 HB3 LYS A 85 2.309 11.315 0.724 1.00 0.74 H new ATOM 0 HG2 LYS A 85 1.704 13.764 1.135 1.00 1.00 H new ATOM 0 HG3 LYS A 85 2.317 14.098 -0.472 1.00 1.00 H new ATOM 0 HD2 LYS A 85 0.710 12.461 -1.430 1.00 0.91 H new ATOM 0 HD3 LYS A 85 0.101 12.115 0.177 1.00 0.91 H new ATOM 0 HE2 LYS A 85 -0.398 14.633 0.381 1.00 1.66 H new ATOM 0 HE3 LYS A 85 -0.065 14.745 -1.335 1.00 1.66 H new ATOM 0 HZ1 LYS A 85 -2.464 14.391 -0.571 1.00 2.02 H new ATOM 0 HZ2 LYS A 85 -1.896 13.455 -1.869 1.00 2.02 H new ATOM 0 HZ3 LYS A 85 -2.018 12.773 -0.319 1.00 2.02 H new ATOM 1081 N PRO A 86 3.524 14.040 2.942 1.00 0.60 N ATOM 1082 CA PRO A 86 2.927 14.381 4.231 1.00 0.62 C ATOM 1083 C PRO A 86 1.453 13.984 4.256 1.00 0.61 C ATOM 1084 O PRO A 86 0.651 14.501 3.475 1.00 0.68 O ATOM 1085 CB PRO A 86 3.077 15.905 4.320 1.00 0.74 C ATOM 1086 CG PRO A 86 4.086 16.267 3.282 1.00 0.85 C ATOM 1087 CD PRO A 86 3.967 15.230 2.203 1.00 0.74 C ATOM 0 HA PRO A 86 3.401 13.864 5.066 1.00 0.62 H new ATOM 0 HB2 PRO A 86 2.126 16.405 4.134 1.00 0.74 H new ATOM 0 HB3 PRO A 86 3.408 16.210 5.313 1.00 0.74 H new ATOM 0 HG2 PRO A 86 3.896 17.265 2.886 1.00 0.85 H new ATOM 0 HG3 PRO A 86 5.091 16.277 3.703 1.00 0.85 H new ATOM 0 HD2 PRO A 86 3.247 15.523 1.439 1.00 0.74 H new ATOM 0 HD3 PRO A 86 4.918 15.061 1.698 1.00 0.74 H new ATOM 1095 N VAL A 87 1.095 13.068 5.148 1.00 0.59 N ATOM 1096 CA VAL A 87 -0.260 12.535 5.181 1.00 0.62 C ATOM 1097 C VAL A 87 -0.869 12.606 6.577 1.00 0.62 C ATOM 1098 O VAL A 87 -0.267 12.177 7.564 1.00 0.66 O ATOM 1099 CB VAL A 87 -0.323 11.075 4.666 1.00 0.69 C ATOM 1100 CG1 VAL A 87 -0.029 11.015 3.173 1.00 1.17 C ATOM 1101 CG2 VAL A 87 0.640 10.179 5.433 1.00 0.88 C ATOM 0 H VAL A 87 1.721 12.681 5.854 1.00 0.59 H new ATOM 0 HA VAL A 87 -0.845 13.167 4.512 1.00 0.62 H new ATOM 0 HB VAL A 87 -1.335 10.708 4.835 1.00 0.69 H new ATOM 0 HG11 VAL A 87 -0.079 9.980 2.834 1.00 1.17 H new ATOM 0 HG12 VAL A 87 -0.766 11.610 2.633 1.00 1.17 H new ATOM 0 HG13 VAL A 87 0.968 11.412 2.982 1.00 1.17 H new ATOM 0 HG21 VAL A 87 0.573 9.161 5.049 1.00 0.88 H new ATOM 0 HG22 VAL A 87 1.658 10.548 5.308 1.00 0.88 H new ATOM 0 HG23 VAL A 87 0.379 10.186 6.491 1.00 0.88 H new ATOM 1111 N SER A 88 -2.058 13.173 6.646 1.00 0.69 N ATOM 1112 CA SER A 88 -2.812 13.229 7.885 1.00 0.76 C ATOM 1113 C SER A 88 -3.893 12.145 7.889 1.00 0.72 C ATOM 1114 O SER A 88 -4.314 11.708 6.815 1.00 0.69 O ATOM 1115 CB SER A 88 -3.438 14.617 8.037 1.00 0.92 C ATOM 1116 OG SER A 88 -2.466 15.632 7.852 1.00 1.44 O ATOM 0 H SER A 88 -2.527 13.606 5.850 1.00 0.69 H new ATOM 0 HA SER A 88 -2.144 13.049 8.728 1.00 0.76 H new ATOM 0 HB2 SER A 88 -4.241 14.740 7.310 1.00 0.92 H new ATOM 0 HB3 SER A 88 -3.886 14.712 9.026 1.00 0.92 H new ATOM 0 HG SER A 88 -2.888 16.511 7.952 1.00 1.44 H new ATOM 1122 N PRO A 89 -4.334 11.676 9.074 1.00 0.78 N ATOM 1123 CA PRO A 89 -5.361 10.627 9.195 1.00 0.79 C ATOM 1124 C PRO A 89 -6.533 10.806 8.226 1.00 0.67 C ATOM 1125 O PRO A 89 -6.985 9.842 7.606 1.00 0.65 O ATOM 1126 CB PRO A 89 -5.834 10.782 10.637 1.00 0.98 C ATOM 1127 CG PRO A 89 -4.633 11.268 11.372 1.00 1.14 C ATOM 1128 CD PRO A 89 -3.850 12.115 10.399 1.00 0.92 C ATOM 0 HA PRO A 89 -4.961 9.643 8.951 1.00 0.79 H new ATOM 0 HB2 PRO A 89 -6.658 11.491 10.710 1.00 0.98 H new ATOM 0 HB3 PRO A 89 -6.191 9.835 11.042 1.00 0.98 H new ATOM 0 HG2 PRO A 89 -4.923 11.850 12.247 1.00 1.14 H new ATOM 0 HG3 PRO A 89 -4.032 10.432 11.730 1.00 1.14 H new ATOM 0 HD2 PRO A 89 -4.032 13.178 10.559 1.00 0.92 H new ATOM 0 HD3 PRO A 89 -2.777 11.956 10.505 1.00 0.92 H new ATOM 1136 N GLU A 90 -6.990 12.049 8.082 1.00 0.71 N ATOM 1137 CA GLU A 90 -8.114 12.394 7.207 1.00 0.72 C ATOM 1138 C GLU A 90 -7.953 11.782 5.812 1.00 0.64 C ATOM 1139 O GLU A 90 -8.910 11.269 5.233 1.00 0.68 O ATOM 1140 CB GLU A 90 -8.211 13.916 7.090 1.00 0.87 C ATOM 1141 CG GLU A 90 -9.602 14.473 7.339 1.00 1.24 C ATOM 1142 CD GLU A 90 -10.587 14.131 6.243 1.00 1.76 C ATOM 1143 OE1 GLU A 90 -10.498 14.731 5.154 1.00 2.43 O ATOM 1144 OE2 GLU A 90 -11.474 13.286 6.474 1.00 2.37 O ATOM 0 H GLU A 90 -6.590 12.850 8.571 1.00 0.71 H new ATOM 0 HA GLU A 90 -9.025 11.988 7.647 1.00 0.72 H new ATOM 0 HB2 GLU A 90 -7.518 14.368 7.800 1.00 0.87 H new ATOM 0 HB3 GLU A 90 -7.886 14.214 6.093 1.00 0.87 H new ATOM 0 HG2 GLU A 90 -9.976 14.088 8.288 1.00 1.24 H new ATOM 0 HG3 GLU A 90 -9.540 15.557 7.437 1.00 1.24 H new ATOM 1151 N TYR A 91 -6.732 11.823 5.294 1.00 0.62 N ATOM 1152 CA TYR A 91 -6.443 11.316 3.959 1.00 0.62 C ATOM 1153 C TYR A 91 -6.471 9.793 3.941 1.00 0.52 C ATOM 1154 O TYR A 91 -6.939 9.183 2.980 1.00 0.52 O ATOM 1155 CB TYR A 91 -5.083 11.826 3.481 1.00 0.72 C ATOM 1156 CG TYR A 91 -5.029 13.326 3.309 1.00 1.20 C ATOM 1157 CD1 TYR A 91 -4.859 14.168 4.403 1.00 1.63 C ATOM 1158 CD2 TYR A 91 -5.148 13.901 2.053 1.00 2.22 C ATOM 1159 CE1 TYR A 91 -4.809 15.538 4.246 1.00 2.36 C ATOM 1160 CE2 TYR A 91 -5.099 15.271 1.889 1.00 3.00 C ATOM 1161 CZ TYR A 91 -4.930 16.085 2.987 1.00 2.89 C ATOM 1162 OH TYR A 91 -4.878 17.449 2.824 1.00 3.78 O ATOM 0 H TYR A 91 -5.922 12.205 5.782 1.00 0.62 H new ATOM 0 HA TYR A 91 -7.214 11.681 3.281 1.00 0.62 H new ATOM 0 HB2 TYR A 91 -4.318 11.522 4.196 1.00 0.72 H new ATOM 0 HB3 TYR A 91 -4.839 11.350 2.531 1.00 0.72 H new ATOM 0 HD1 TYR A 91 -4.765 13.743 5.391 1.00 1.63 H new ATOM 0 HD2 TYR A 91 -5.281 13.267 1.189 1.00 2.22 H new ATOM 0 HE1 TYR A 91 -4.676 16.178 5.105 1.00 2.36 H new ATOM 0 HE2 TYR A 91 -5.193 15.703 0.903 1.00 3.00 H new ATOM 0 HH TYR A 91 -4.978 17.669 1.874 1.00 3.78 H new ATOM 1172 N GLU A 92 -5.978 9.189 5.014 1.00 0.48 N ATOM 1173 CA GLU A 92 -5.997 7.742 5.154 1.00 0.42 C ATOM 1174 C GLU A 92 -7.431 7.243 5.213 1.00 0.42 C ATOM 1175 O GLU A 92 -7.797 6.284 4.537 1.00 0.43 O ATOM 1176 CB GLU A 92 -5.245 7.320 6.417 1.00 0.48 C ATOM 1177 CG GLU A 92 -5.388 5.843 6.740 1.00 0.49 C ATOM 1178 CD GLU A 92 -4.534 5.414 7.912 1.00 0.65 C ATOM 1179 OE1 GLU A 92 -5.060 5.353 9.043 1.00 1.46 O ATOM 1180 OE2 GLU A 92 -3.337 5.127 7.707 1.00 1.14 O ATOM 0 H GLU A 92 -5.559 9.682 5.802 1.00 0.48 H new ATOM 0 HA GLU A 92 -5.502 7.302 4.288 1.00 0.42 H new ATOM 0 HB2 GLU A 92 -4.188 7.557 6.298 1.00 0.48 H new ATOM 0 HB3 GLU A 92 -5.610 7.906 7.261 1.00 0.48 H new ATOM 0 HG2 GLU A 92 -6.433 5.623 6.958 1.00 0.49 H new ATOM 0 HG3 GLU A 92 -5.115 5.256 5.863 1.00 0.49 H new ATOM 1187 N LYS A 93 -8.239 7.924 6.012 1.00 0.47 N ATOM 1188 CA LYS A 93 -9.634 7.571 6.183 1.00 0.54 C ATOM 1189 C LYS A 93 -10.377 7.794 4.878 1.00 0.53 C ATOM 1190 O LYS A 93 -11.281 7.043 4.541 1.00 0.55 O ATOM 1191 CB LYS A 93 -10.266 8.410 7.296 1.00 0.69 C ATOM 1192 CG LYS A 93 -9.469 8.415 8.595 1.00 1.51 C ATOM 1193 CD LYS A 93 -9.374 7.032 9.221 1.00 2.25 C ATOM 1194 CE LYS A 93 -10.702 6.587 9.807 1.00 2.80 C ATOM 1195 NZ LYS A 93 -11.185 7.518 10.862 1.00 3.25 N ATOM 0 H LYS A 93 -7.944 8.734 6.557 1.00 0.47 H new ATOM 0 HA LYS A 93 -9.702 6.520 6.463 1.00 0.54 H new ATOM 0 HB2 LYS A 93 -10.377 9.436 6.945 1.00 0.69 H new ATOM 0 HB3 LYS A 93 -11.268 8.032 7.498 1.00 0.69 H new ATOM 0 HG2 LYS A 93 -8.465 8.793 8.401 1.00 1.51 H new ATOM 0 HG3 LYS A 93 -9.936 9.100 9.302 1.00 1.51 H new ATOM 0 HD2 LYS A 93 -9.050 6.314 8.468 1.00 2.25 H new ATOM 0 HD3 LYS A 93 -8.615 7.038 10.003 1.00 2.25 H new ATOM 0 HE2 LYS A 93 -11.445 6.522 9.013 1.00 2.80 H new ATOM 0 HE3 LYS A 93 -10.596 5.587 10.227 1.00 2.80 H new ATOM 0 HZ1 LYS A 93 -11.896 7.038 11.450 1.00 3.25 H new ATOM 0 HZ2 LYS A 93 -10.385 7.813 11.458 1.00 3.25 H new ATOM 0 HZ3 LYS A 93 -11.612 8.355 10.417 1.00 3.25 H new ATOM 1209 N LYS A 94 -9.967 8.822 4.147 1.00 0.54 N ATOM 1210 CA LYS A 94 -10.553 9.139 2.852 1.00 0.59 C ATOM 1211 C LYS A 94 -10.394 7.964 1.894 1.00 0.52 C ATOM 1212 O LYS A 94 -11.359 7.514 1.277 1.00 0.57 O ATOM 1213 CB LYS A 94 -9.876 10.383 2.274 1.00 0.67 C ATOM 1214 CG LYS A 94 -10.491 10.883 0.981 1.00 1.19 C ATOM 1215 CD LYS A 94 -9.699 12.047 0.415 1.00 1.48 C ATOM 1216 CE LYS A 94 -10.401 12.670 -0.776 1.00 1.97 C ATOM 1217 NZ LYS A 94 -9.649 13.828 -1.320 1.00 2.44 N ATOM 0 H LYS A 94 -9.222 9.457 4.434 1.00 0.54 H new ATOM 0 HA LYS A 94 -11.617 9.335 2.983 1.00 0.59 H new ATOM 0 HB2 LYS A 94 -9.916 11.182 3.015 1.00 0.67 H new ATOM 0 HB3 LYS A 94 -8.823 10.162 2.100 1.00 0.67 H new ATOM 0 HG2 LYS A 94 -10.524 10.073 0.253 1.00 1.19 H new ATOM 0 HG3 LYS A 94 -11.521 11.192 1.160 1.00 1.19 H new ATOM 0 HD2 LYS A 94 -9.555 12.801 1.189 1.00 1.48 H new ATOM 0 HD3 LYS A 94 -8.709 11.704 0.116 1.00 1.48 H new ATOM 0 HE2 LYS A 94 -10.526 11.920 -1.557 1.00 1.97 H new ATOM 0 HE3 LYS A 94 -11.400 12.992 -0.481 1.00 1.97 H new ATOM 0 HZ1 LYS A 94 -10.163 14.225 -2.133 1.00 2.44 H new ATOM 0 HZ2 LYS A 94 -9.551 14.556 -0.583 1.00 2.44 H new ATOM 0 HZ3 LYS A 94 -8.705 13.516 -1.626 1.00 2.44 H new ATOM 1231 N LEU A 95 -9.171 7.460 1.793 1.00 0.47 N ATOM 1232 CA LEU A 95 -8.879 6.328 0.927 1.00 0.45 C ATOM 1233 C LEU A 95 -9.490 5.051 1.498 1.00 0.39 C ATOM 1234 O LEU A 95 -9.941 4.175 0.756 1.00 0.41 O ATOM 1235 CB LEU A 95 -7.364 6.173 0.765 1.00 0.46 C ATOM 1236 CG LEU A 95 -6.641 7.420 0.245 1.00 0.54 C ATOM 1237 CD1 LEU A 95 -5.139 7.190 0.206 1.00 1.14 C ATOM 1238 CD2 LEU A 95 -7.157 7.806 -1.134 1.00 1.12 C ATOM 0 H LEU A 95 -8.364 7.819 2.302 1.00 0.47 H new ATOM 0 HA LEU A 95 -9.320 6.509 -0.053 1.00 0.45 H new ATOM 0 HB2 LEU A 95 -6.936 5.898 1.729 1.00 0.46 H new ATOM 0 HB3 LEU A 95 -7.169 5.346 0.082 1.00 0.46 H new ATOM 0 HG LEU A 95 -6.846 8.243 0.930 1.00 0.54 H new ATOM 0 HD11 LEU A 95 -4.643 8.087 -0.166 1.00 1.14 H new ATOM 0 HD12 LEU A 95 -4.779 6.966 1.210 1.00 1.14 H new ATOM 0 HD13 LEU A 95 -4.916 6.352 -0.454 1.00 1.14 H new ATOM 0 HD21 LEU A 95 -6.630 8.694 -1.484 1.00 1.12 H new ATOM 0 HD22 LEU A 95 -6.986 6.984 -1.830 1.00 1.12 H new ATOM 0 HD23 LEU A 95 -8.225 8.017 -1.077 1.00 1.12 H new ATOM 1250 N GLN A 96 -9.511 4.967 2.822 1.00 0.37 N ATOM 1251 CA GLN A 96 -10.112 3.841 3.527 1.00 0.40 C ATOM 1252 C GLN A 96 -11.616 3.798 3.260 1.00 0.45 C ATOM 1253 O GLN A 96 -12.221 2.733 3.244 1.00 0.49 O ATOM 1254 CB GLN A 96 -9.814 3.964 5.032 1.00 0.53 C ATOM 1255 CG GLN A 96 -10.202 2.757 5.887 1.00 0.60 C ATOM 1256 CD GLN A 96 -11.683 2.703 6.233 1.00 1.30 C ATOM 1257 OE1 GLN A 96 -12.313 3.862 6.367 1.00 1.79 O flip ATOM 1258 NE2 GLN A 96 -12.255 1.625 6.390 1.00 2.20 N flip ATOM 0 H GLN A 96 -9.113 5.676 3.437 1.00 0.37 H new ATOM 0 HA GLN A 96 -9.683 2.907 3.165 1.00 0.40 H new ATOM 0 HB2 GLN A 96 -8.747 4.147 5.158 1.00 0.53 H new ATOM 0 HB3 GLN A 96 -10.336 4.841 5.416 1.00 0.53 H new ATOM 0 HG2 GLN A 96 -9.928 1.845 5.357 1.00 0.60 H new ATOM 0 HG3 GLN A 96 -9.623 2.776 6.810 1.00 0.60 H new ATOM 0 HE21 GLN A 96 -11.738 0.753 6.279 1.00 2.20 H new ATOM 0 HE22 GLN A 96 -13.246 1.604 6.631 1.00 2.20 H new ATOM 1267 N LYS A 97 -12.216 4.964 3.065 1.00 0.52 N ATOM 1268 CA LYS A 97 -13.641 5.047 2.745 1.00 0.64 C ATOM 1269 C LYS A 97 -13.926 4.609 1.309 1.00 0.65 C ATOM 1270 O LYS A 97 -15.001 4.084 1.018 1.00 0.72 O ATOM 1271 CB LYS A 97 -14.161 6.469 2.966 1.00 0.78 C ATOM 1272 CG LYS A 97 -14.238 6.865 4.430 1.00 1.44 C ATOM 1273 CD LYS A 97 -14.523 8.349 4.595 1.00 1.95 C ATOM 1274 CE LYS A 97 -14.517 8.749 6.060 1.00 2.39 C ATOM 1275 NZ LYS A 97 -14.681 10.214 6.240 1.00 2.87 N ATOM 0 H LYS A 97 -11.743 5.866 3.122 1.00 0.52 H new ATOM 0 HA LYS A 97 -14.162 4.365 3.416 1.00 0.64 H new ATOM 0 HB2 LYS A 97 -13.512 7.170 2.442 1.00 0.78 H new ATOM 0 HB3 LYS A 97 -15.152 6.558 2.521 1.00 0.78 H new ATOM 0 HG2 LYS A 97 -15.020 6.287 4.923 1.00 1.44 H new ATOM 0 HG3 LYS A 97 -13.299 6.617 4.924 1.00 1.44 H new ATOM 0 HD2 LYS A 97 -13.775 8.928 4.054 1.00 1.95 H new ATOM 0 HD3 LYS A 97 -15.491 8.588 4.154 1.00 1.95 H new ATOM 0 HE2 LYS A 97 -15.320 8.228 6.581 1.00 2.39 H new ATOM 0 HE3 LYS A 97 -13.581 8.430 6.518 1.00 2.39 H new ATOM 0 HZ1 LYS A 97 -14.671 10.442 7.255 1.00 2.87 H new ATOM 0 HZ2 LYS A 97 -13.901 10.712 5.766 1.00 2.87 H new ATOM 0 HZ3 LYS A 97 -15.586 10.515 5.826 1.00 2.87 H new ATOM 1289 N TYR A 98 -12.969 4.818 0.412 1.00 0.63 N ATOM 1290 CA TYR A 98 -13.168 4.488 -0.997 1.00 0.68 C ATOM 1291 C TYR A 98 -13.147 2.979 -1.221 1.00 0.64 C ATOM 1292 O TYR A 98 -14.049 2.424 -1.851 1.00 0.73 O ATOM 1293 CB TYR A 98 -12.113 5.165 -1.877 1.00 0.71 C ATOM 1294 CG TYR A 98 -12.234 6.673 -1.930 1.00 1.02 C ATOM 1295 CD1 TYR A 98 -13.475 7.297 -1.875 1.00 1.91 C ATOM 1296 CD2 TYR A 98 -11.104 7.473 -2.051 1.00 1.78 C ATOM 1297 CE1 TYR A 98 -13.587 8.670 -1.935 1.00 2.65 C ATOM 1298 CE2 TYR A 98 -11.209 8.849 -2.110 1.00 2.50 C ATOM 1299 CZ TYR A 98 -12.452 9.442 -2.052 1.00 2.73 C ATOM 1300 OH TYR A 98 -12.561 10.812 -2.118 1.00 3.64 O ATOM 0 H TYR A 98 -12.054 5.211 0.631 1.00 0.63 H new ATOM 0 HA TYR A 98 -14.151 4.864 -1.282 1.00 0.68 H new ATOM 0 HB2 TYR A 98 -11.122 4.903 -1.506 1.00 0.71 H new ATOM 0 HB3 TYR A 98 -12.190 4.768 -2.889 1.00 0.71 H new ATOM 0 HD1 TYR A 98 -14.367 6.696 -1.784 1.00 1.91 H new ATOM 0 HD2 TYR A 98 -10.129 7.012 -2.100 1.00 1.78 H new ATOM 0 HE1 TYR A 98 -14.559 9.138 -1.891 1.00 2.65 H new ATOM 0 HE2 TYR A 98 -10.321 9.457 -2.201 1.00 2.50 H new ATOM 0 HH TYR A 98 -13.353 11.102 -1.618 1.00 3.64 H new ATOM 1310 N ALA A 99 -12.126 2.317 -0.706 1.00 0.56 N ATOM 1311 CA ALA A 99 -12.031 0.869 -0.816 1.00 0.56 C ATOM 1312 C ALA A 99 -12.588 0.226 0.432 1.00 0.52 C ATOM 1313 O ALA A 99 -12.461 0.773 1.521 1.00 0.60 O ATOM 1314 CB ALA A 99 -10.589 0.440 -1.024 1.00 0.59 C ATOM 0 H ALA A 99 -11.352 2.756 -0.208 1.00 0.56 H new ATOM 0 HA ALA A 99 -12.613 0.545 -1.679 1.00 0.56 H new ATOM 0 HB1 ALA A 99 -10.540 -0.646 -1.104 1.00 0.59 H new ATOM 0 HB2 ALA A 99 -10.204 0.889 -1.940 1.00 0.59 H new ATOM 0 HB3 ALA A 99 -9.986 0.769 -0.178 1.00 0.59 H new ATOM 1320 N ASP A 100 -13.208 -0.930 0.291 1.00 0.54 N ATOM 1321 CA ASP A 100 -13.719 -1.611 1.462 1.00 0.53 C ATOM 1322 C ASP A 100 -12.632 -2.500 2.008 1.00 0.47 C ATOM 1323 O ASP A 100 -12.409 -3.615 1.533 1.00 0.51 O ATOM 1324 CB ASP A 100 -14.966 -2.432 1.131 1.00 0.66 C ATOM 1325 CG ASP A 100 -16.180 -1.566 0.877 1.00 0.99 C ATOM 1326 OD1 ASP A 100 -16.969 -1.360 1.820 1.00 1.77 O ATOM 1327 OD2 ASP A 100 -16.356 -1.090 -0.270 1.00 1.73 O ATOM 0 H ASP A 100 -13.367 -1.406 -0.597 1.00 0.54 H new ATOM 0 HA ASP A 100 -14.011 -0.872 2.208 1.00 0.53 H new ATOM 0 HB2 ASP A 100 -14.770 -3.045 0.251 1.00 0.66 H new ATOM 0 HB3 ASP A 100 -15.177 -3.115 1.954 1.00 0.66 H new ATOM 1332 N ALA A 101 -11.986 -1.996 3.033 1.00 0.42 N ATOM 1333 CA ALA A 101 -10.827 -2.628 3.616 1.00 0.39 C ATOM 1334 C ALA A 101 -10.410 -1.851 4.833 1.00 0.37 C ATOM 1335 O ALA A 101 -11.105 -0.929 5.261 1.00 0.50 O ATOM 1336 CB ALA A 101 -9.691 -2.672 2.599 1.00 0.43 C ATOM 0 H ALA A 101 -12.254 -1.125 3.491 1.00 0.42 H new ATOM 0 HA ALA A 101 -11.069 -3.651 3.904 1.00 0.39 H new ATOM 0 HB1 ALA A 101 -8.820 -3.150 3.047 1.00 0.43 H new ATOM 0 HB2 ALA A 101 -10.008 -3.240 1.724 1.00 0.43 H new ATOM 0 HB3 ALA A 101 -9.433 -1.657 2.298 1.00 0.43 H new ATOM 1342 N GLU A 102 -9.282 -2.219 5.383 1.00 0.31 N ATOM 1343 CA GLU A 102 -8.666 -1.431 6.416 1.00 0.31 C ATOM 1344 C GLU A 102 -7.263 -1.047 5.975 1.00 0.29 C ATOM 1345 O GLU A 102 -6.290 -1.759 6.230 1.00 0.36 O ATOM 1346 CB GLU A 102 -8.672 -2.194 7.739 1.00 0.41 C ATOM 1347 CG GLU A 102 -8.288 -3.665 7.628 1.00 0.76 C ATOM 1348 CD GLU A 102 -8.351 -4.383 8.962 1.00 1.16 C ATOM 1349 OE1 GLU A 102 -7.285 -4.646 9.558 1.00 1.77 O ATOM 1350 OE2 GLU A 102 -9.471 -4.684 9.430 1.00 1.77 O ATOM 0 H GLU A 102 -8.770 -3.064 5.130 1.00 0.31 H new ATOM 0 HA GLU A 102 -9.232 -0.514 6.580 1.00 0.31 H new ATOM 0 HB2 GLU A 102 -7.984 -1.704 8.428 1.00 0.41 H new ATOM 0 HB3 GLU A 102 -9.667 -2.125 8.178 1.00 0.41 H new ATOM 0 HG2 GLU A 102 -8.955 -4.159 6.921 1.00 0.76 H new ATOM 0 HG3 GLU A 102 -7.279 -3.744 7.223 1.00 0.76 H new ATOM 1357 N VAL A 103 -7.172 0.082 5.280 1.00 0.27 N ATOM 1358 CA VAL A 103 -5.910 0.512 4.707 1.00 0.32 C ATOM 1359 C VAL A 103 -5.086 1.265 5.737 1.00 0.32 C ATOM 1360 O VAL A 103 -5.621 1.961 6.605 1.00 0.38 O ATOM 1361 CB VAL A 103 -6.101 1.390 3.437 1.00 0.44 C ATOM 1362 CG1 VAL A 103 -6.523 2.805 3.784 1.00 0.70 C ATOM 1363 CG2 VAL A 103 -4.829 1.424 2.610 1.00 1.05 C ATOM 0 H VAL A 103 -7.955 0.711 5.103 1.00 0.27 H new ATOM 0 HA VAL A 103 -5.379 -0.390 4.404 1.00 0.32 H new ATOM 0 HB VAL A 103 -6.899 0.933 2.852 1.00 0.44 H new ATOM 0 HG11 VAL A 103 -6.645 3.383 2.868 1.00 0.70 H new ATOM 0 HG12 VAL A 103 -7.468 2.780 4.326 1.00 0.70 H new ATOM 0 HG13 VAL A 103 -5.759 3.270 4.408 1.00 0.70 H new ATOM 0 HG21 VAL A 103 -4.986 2.044 1.727 1.00 1.05 H new ATOM 0 HG22 VAL A 103 -4.018 1.841 3.207 1.00 1.05 H new ATOM 0 HG23 VAL A 103 -4.569 0.412 2.301 1.00 1.05 H new ATOM 1373 N ARG A 104 -3.790 1.080 5.653 1.00 0.33 N ATOM 1374 CA ARG A 104 -2.851 1.791 6.487 1.00 0.37 C ATOM 1375 C ARG A 104 -1.891 2.553 5.599 1.00 0.33 C ATOM 1376 O ARG A 104 -1.064 1.949 4.914 1.00 0.38 O ATOM 1377 CB ARG A 104 -2.094 0.807 7.374 1.00 0.46 C ATOM 1378 CG ARG A 104 -2.950 0.190 8.465 1.00 1.23 C ATOM 1379 CD ARG A 104 -2.346 -1.104 8.982 1.00 1.26 C ATOM 1380 NE ARG A 104 -0.945 -0.950 9.365 1.00 1.50 N ATOM 1381 CZ ARG A 104 -0.124 -1.972 9.581 1.00 1.82 C ATOM 1382 NH1 ARG A 104 -0.571 -3.214 9.456 1.00 1.78 N ATOM 1383 NH2 ARG A 104 1.139 -1.754 9.917 1.00 2.71 N ATOM 0 H ARG A 104 -3.355 0.428 5.000 1.00 0.33 H new ATOM 0 HA ARG A 104 -3.381 2.492 7.132 1.00 0.37 H new ATOM 0 HB2 ARG A 104 -1.684 0.011 6.752 1.00 0.46 H new ATOM 0 HB3 ARG A 104 -1.249 1.320 7.833 1.00 0.46 H new ATOM 0 HG2 ARG A 104 -3.057 0.897 9.288 1.00 1.23 H new ATOM 0 HG3 ARG A 104 -3.951 -0.003 8.078 1.00 1.23 H new ATOM 0 HD2 ARG A 104 -2.919 -1.451 9.842 1.00 1.26 H new ATOM 0 HD3 ARG A 104 -2.427 -1.872 8.213 1.00 1.26 H new ATOM 0 HE ARG A 104 -0.576 -0.005 9.473 1.00 1.50 H new ATOM 0 HH11 ARG A 104 -1.542 -3.383 9.195 1.00 1.78 H new ATOM 0 HH12 ARG A 104 0.057 -4.001 9.621 1.00 1.78 H new ATOM 0 HH21 ARG A 104 1.484 -0.799 10.011 1.00 2.71 H new ATOM 0 HH22 ARG A 104 1.766 -2.541 10.082 1.00 2.71 H new ATOM 1397 N VAL A 105 -2.017 3.867 5.566 1.00 0.31 N ATOM 1398 CA VAL A 105 -1.151 4.651 4.718 1.00 0.31 C ATOM 1399 C VAL A 105 0.158 4.937 5.460 1.00 0.31 C ATOM 1400 O VAL A 105 0.146 5.341 6.627 1.00 0.41 O ATOM 1401 CB VAL A 105 -1.808 5.968 4.236 1.00 0.39 C ATOM 1402 CG1 VAL A 105 -3.146 5.683 3.569 1.00 0.64 C ATOM 1403 CG2 VAL A 105 -1.970 6.967 5.372 1.00 0.71 C ATOM 0 H VAL A 105 -2.697 4.401 6.106 1.00 0.31 H new ATOM 0 HA VAL A 105 -0.951 4.067 3.819 1.00 0.31 H new ATOM 0 HB VAL A 105 -1.142 6.420 3.501 1.00 0.39 H new ATOM 0 HG11 VAL A 105 -3.594 6.620 3.236 1.00 0.64 H new ATOM 0 HG12 VAL A 105 -2.993 5.029 2.710 1.00 0.64 H new ATOM 0 HG13 VAL A 105 -3.811 5.196 4.282 1.00 0.64 H new ATOM 0 HG21 VAL A 105 -2.434 7.877 4.993 1.00 0.71 H new ATOM 0 HG22 VAL A 105 -2.600 6.535 6.149 1.00 0.71 H new ATOM 0 HG23 VAL A 105 -0.992 7.206 5.789 1.00 0.71 H new ATOM 1413 N ARG A 106 1.284 4.690 4.812 1.00 0.31 N ATOM 1414 CA ARG A 106 2.578 4.854 5.458 1.00 0.35 C ATOM 1415 C ARG A 106 3.506 5.714 4.618 1.00 0.29 C ATOM 1416 O ARG A 106 3.813 5.387 3.471 1.00 0.31 O ATOM 1417 CB ARG A 106 3.228 3.494 5.735 1.00 0.46 C ATOM 1418 CG ARG A 106 2.480 2.648 6.757 1.00 0.79 C ATOM 1419 CD ARG A 106 2.417 3.331 8.118 1.00 0.87 C ATOM 1420 NE ARG A 106 3.744 3.504 8.713 1.00 1.30 N ATOM 1421 CZ ARG A 106 4.211 4.662 9.188 1.00 1.70 C ATOM 1422 NH1 ARG A 106 3.488 5.771 9.081 1.00 1.88 N ATOM 1423 NH2 ARG A 106 5.405 4.711 9.763 1.00 2.63 N ATOM 0 H ARG A 106 1.330 4.376 3.843 1.00 0.31 H new ATOM 0 HA ARG A 106 2.408 5.359 6.409 1.00 0.35 H new ATOM 0 HB2 ARG A 106 3.298 2.939 4.800 1.00 0.46 H new ATOM 0 HB3 ARG A 106 4.247 3.655 6.087 1.00 0.46 H new ATOM 0 HG2 ARG A 106 1.468 2.456 6.399 1.00 0.79 H new ATOM 0 HG3 ARG A 106 2.972 1.680 6.858 1.00 0.79 H new ATOM 0 HD2 ARG A 106 1.939 4.305 8.012 1.00 0.87 H new ATOM 0 HD3 ARG A 106 1.794 2.741 8.790 1.00 0.87 H new ATOM 0 HE ARG A 106 4.352 2.687 8.768 1.00 1.30 H new ATOM 0 HH11 ARG A 106 2.571 5.741 8.634 1.00 1.88 H new ATOM 0 HH12 ARG A 106 3.849 6.653 9.445 1.00 1.88 H new ATOM 0 HH21 ARG A 106 5.968 3.864 9.843 1.00 2.63 H new ATOM 0 HH22 ARG A 106 5.761 5.596 10.125 1.00 2.63 H new ATOM 1437 N THR A 107 3.938 6.819 5.195 1.00 0.34 N ATOM 1438 CA THR A 107 4.869 7.710 4.535 1.00 0.36 C ATOM 1439 C THR A 107 6.294 7.420 5.012 1.00 0.40 C ATOM 1440 O THR A 107 6.518 7.153 6.195 1.00 0.56 O ATOM 1441 CB THR A 107 4.490 9.186 4.796 1.00 0.50 C ATOM 1442 OG1 THR A 107 5.301 10.066 4.011 1.00 0.56 O ATOM 1443 CG2 THR A 107 4.629 9.545 6.269 1.00 0.64 C ATOM 0 H THR A 107 3.655 7.122 6.127 1.00 0.34 H new ATOM 0 HA THR A 107 4.820 7.538 3.460 1.00 0.36 H new ATOM 0 HB THR A 107 3.446 9.306 4.507 1.00 0.50 H new ATOM 0 HG1 THR A 107 4.866 10.942 3.947 1.00 0.56 H new ATOM 0 HG21 THR A 107 4.355 10.590 6.416 1.00 0.64 H new ATOM 0 HG22 THR A 107 3.971 8.910 6.862 1.00 0.64 H new ATOM 0 HG23 THR A 107 5.661 9.393 6.585 1.00 0.64 H new ATOM 1451 N VAL A 108 7.247 7.433 4.089 1.00 0.44 N ATOM 1452 CA VAL A 108 8.634 7.121 4.420 1.00 0.60 C ATOM 1453 C VAL A 108 9.579 8.191 3.894 1.00 0.68 C ATOM 1454 O VAL A 108 9.210 8.989 3.032 1.00 0.86 O ATOM 1455 CB VAL A 108 9.064 5.752 3.847 1.00 0.71 C ATOM 1456 CG1 VAL A 108 8.229 4.633 4.446 1.00 1.34 C ATOM 1457 CG2 VAL A 108 8.964 5.743 2.327 1.00 0.97 C ATOM 0 H VAL A 108 7.087 7.656 3.107 1.00 0.44 H new ATOM 0 HA VAL A 108 8.693 7.085 5.508 1.00 0.60 H new ATOM 0 HB VAL A 108 10.106 5.585 4.118 1.00 0.71 H new ATOM 0 HG11 VAL A 108 8.548 3.678 4.029 1.00 1.34 H new ATOM 0 HG12 VAL A 108 8.362 4.619 5.528 1.00 1.34 H new ATOM 0 HG13 VAL A 108 7.177 4.798 4.211 1.00 1.34 H new ATOM 0 HG21 VAL A 108 9.272 4.769 1.948 1.00 0.97 H new ATOM 0 HG22 VAL A 108 7.934 5.939 2.029 1.00 0.97 H new ATOM 0 HG23 VAL A 108 9.614 6.515 1.915 1.00 0.97 H new ATOM 1467 N THR A 109 10.796 8.210 4.423 1.00 0.68 N ATOM 1468 CA THR A 109 11.812 9.146 3.974 1.00 0.78 C ATOM 1469 C THR A 109 13.083 8.418 3.539 1.00 0.71 C ATOM 1470 O THR A 109 14.052 9.042 3.104 1.00 0.88 O ATOM 1471 CB THR A 109 12.156 10.170 5.076 1.00 0.96 C ATOM 1472 OG1 THR A 109 12.378 9.501 6.325 1.00 1.22 O ATOM 1473 CG2 THR A 109 11.042 11.193 5.238 1.00 1.11 C ATOM 0 H THR A 109 11.102 7.583 5.167 1.00 0.68 H new ATOM 0 HA THR A 109 11.399 9.677 3.116 1.00 0.78 H new ATOM 0 HB THR A 109 13.066 10.690 4.777 1.00 0.96 H new ATOM 0 HG1 THR A 109 12.657 8.577 6.156 1.00 1.22 H new ATOM 0 HG21 THR A 109 11.310 11.902 6.021 1.00 1.11 H new ATOM 0 HG22 THR A 109 10.899 11.727 4.298 1.00 1.11 H new ATOM 0 HG23 THR A 109 10.118 10.684 5.511 1.00 1.11 H new ATOM 1481 N SER A 110 13.082 7.095 3.676 1.00 0.59 N ATOM 1482 CA SER A 110 14.221 6.280 3.278 1.00 0.54 C ATOM 1483 C SER A 110 13.772 4.869 2.894 1.00 0.49 C ATOM 1484 O SER A 110 12.773 4.379 3.427 1.00 0.51 O ATOM 1485 CB SER A 110 15.247 6.210 4.416 1.00 0.62 C ATOM 1486 OG SER A 110 15.692 7.505 4.791 1.00 0.93 O ATOM 0 H SER A 110 12.301 6.565 4.061 1.00 0.59 H new ATOM 0 HA SER A 110 14.684 6.745 2.408 1.00 0.54 H new ATOM 0 HB2 SER A 110 14.803 5.712 5.278 1.00 0.62 H new ATOM 0 HB3 SER A 110 16.099 5.607 4.103 1.00 0.62 H new ATOM 0 HG SER A 110 16.344 7.429 5.519 1.00 0.93 H new ATOM 1492 N PRO A 111 14.482 4.208 1.960 1.00 0.49 N ATOM 1493 CA PRO A 111 14.143 2.849 1.502 1.00 0.49 C ATOM 1494 C PRO A 111 13.854 1.876 2.650 1.00 0.45 C ATOM 1495 O PRO A 111 12.837 1.172 2.647 1.00 0.50 O ATOM 1496 CB PRO A 111 15.402 2.419 0.752 1.00 0.58 C ATOM 1497 CG PRO A 111 15.979 3.687 0.229 1.00 0.60 C ATOM 1498 CD PRO A 111 15.664 4.744 1.255 1.00 0.54 C ATOM 0 HA PRO A 111 13.232 2.843 0.903 1.00 0.49 H new ATOM 0 HB2 PRO A 111 16.102 1.908 1.413 1.00 0.58 H new ATOM 0 HB3 PRO A 111 15.165 1.728 -0.057 1.00 0.58 H new ATOM 0 HG2 PRO A 111 17.055 3.594 0.083 1.00 0.60 H new ATOM 0 HG3 PRO A 111 15.547 3.942 -0.739 1.00 0.60 H new ATOM 0 HD2 PRO A 111 16.500 4.901 1.937 1.00 0.54 H new ATOM 0 HD3 PRO A 111 15.449 5.705 0.787 1.00 0.54 H new ATOM 1506 N ASP A 112 14.743 1.878 3.640 1.00 0.47 N ATOM 1507 CA ASP A 112 14.692 0.934 4.758 1.00 0.49 C ATOM 1508 C ASP A 112 13.348 0.952 5.474 1.00 0.43 C ATOM 1509 O ASP A 112 12.829 -0.099 5.846 1.00 0.45 O ATOM 1510 CB ASP A 112 15.805 1.242 5.763 1.00 0.60 C ATOM 1511 CG ASP A 112 17.188 1.053 5.177 1.00 1.16 C ATOM 1512 OD1 ASP A 112 17.862 0.066 5.537 1.00 1.71 O ATOM 1513 OD2 ASP A 112 17.610 1.888 4.347 1.00 2.04 O ATOM 0 H ASP A 112 15.522 2.535 3.692 1.00 0.47 H new ATOM 0 HA ASP A 112 14.832 -0.061 4.337 1.00 0.49 H new ATOM 0 HB2 ASP A 112 15.700 2.269 6.112 1.00 0.60 H new ATOM 0 HB3 ASP A 112 15.692 0.596 6.634 1.00 0.60 H new ATOM 1518 N GLU A 113 12.787 2.141 5.660 1.00 0.43 N ATOM 1519 CA GLU A 113 11.522 2.289 6.372 1.00 0.45 C ATOM 1520 C GLU A 113 10.422 1.475 5.705 1.00 0.37 C ATOM 1521 O GLU A 113 9.718 0.707 6.358 1.00 0.40 O ATOM 1522 CB GLU A 113 11.099 3.754 6.413 1.00 0.57 C ATOM 1523 CG GLU A 113 12.057 4.661 7.161 1.00 0.78 C ATOM 1524 CD GLU A 113 11.599 6.103 7.148 1.00 1.46 C ATOM 1525 OE1 GLU A 113 12.151 6.897 6.361 1.00 2.21 O ATOM 1526 OE2 GLU A 113 10.674 6.444 7.912 1.00 2.13 O ATOM 0 H GLU A 113 13.188 3.018 5.328 1.00 0.43 H new ATOM 0 HA GLU A 113 11.672 1.923 7.388 1.00 0.45 H new ATOM 0 HB2 GLU A 113 10.996 4.119 5.391 1.00 0.57 H new ATOM 0 HB3 GLU A 113 10.115 3.823 6.877 1.00 0.57 H new ATOM 0 HG2 GLU A 113 12.150 4.319 8.192 1.00 0.78 H new ATOM 0 HG3 GLU A 113 13.048 4.591 6.712 1.00 0.78 H new ATOM 1533 N ALA A 114 10.303 1.635 4.396 1.00 0.37 N ATOM 1534 CA ALA A 114 9.223 1.018 3.641 1.00 0.39 C ATOM 1535 C ALA A 114 9.281 -0.500 3.709 1.00 0.36 C ATOM 1536 O ALA A 114 8.269 -1.150 3.969 1.00 0.38 O ATOM 1537 CB ALA A 114 9.265 1.477 2.199 1.00 0.48 C ATOM 0 H ALA A 114 10.946 2.191 3.831 1.00 0.37 H new ATOM 0 HA ALA A 114 8.283 1.333 4.093 1.00 0.39 H new ATOM 0 HB1 ALA A 114 8.452 1.009 1.644 1.00 0.48 H new ATOM 0 HB2 ALA A 114 9.155 2.561 2.159 1.00 0.48 H new ATOM 0 HB3 ALA A 114 10.219 1.193 1.754 1.00 0.48 H new ATOM 1543 N LYS A 115 10.463 -1.065 3.490 1.00 0.38 N ATOM 1544 CA LYS A 115 10.606 -2.512 3.491 1.00 0.45 C ATOM 1545 C LYS A 115 10.342 -3.075 4.884 1.00 0.39 C ATOM 1546 O LYS A 115 9.891 -4.210 5.023 1.00 0.44 O ATOM 1547 CB LYS A 115 11.985 -2.945 2.974 1.00 0.57 C ATOM 1548 CG LYS A 115 13.152 -2.591 3.880 1.00 0.75 C ATOM 1549 CD LYS A 115 14.452 -3.142 3.321 1.00 0.77 C ATOM 1550 CE LYS A 115 15.624 -2.897 4.253 1.00 1.22 C ATOM 1551 NZ LYS A 115 16.881 -3.475 3.714 1.00 1.53 N ATOM 0 H LYS A 115 11.325 -0.549 3.312 1.00 0.38 H new ATOM 0 HA LYS A 115 9.862 -2.920 2.807 1.00 0.45 H new ATOM 0 HB2 LYS A 115 11.977 -4.024 2.823 1.00 0.57 H new ATOM 0 HB3 LYS A 115 12.150 -2.488 1.999 1.00 0.57 H new ATOM 0 HG2 LYS A 115 13.224 -1.508 3.982 1.00 0.75 H new ATOM 0 HG3 LYS A 115 12.980 -2.994 4.878 1.00 0.75 H new ATOM 0 HD2 LYS A 115 14.346 -4.213 3.147 1.00 0.77 H new ATOM 0 HD3 LYS A 115 14.655 -2.680 2.355 1.00 0.77 H new ATOM 0 HE2 LYS A 115 15.751 -1.825 4.404 1.00 1.22 H new ATOM 0 HE3 LYS A 115 15.411 -3.334 5.229 1.00 1.22 H new ATOM 0 HZ1 LYS A 115 17.693 -2.930 4.068 1.00 1.53 H new ATOM 0 HZ2 LYS A 115 16.968 -4.465 4.021 1.00 1.53 H new ATOM 0 HZ3 LYS A 115 16.864 -3.435 2.675 1.00 1.53 H new ATOM 1565 N ARG A 116 10.611 -2.270 5.910 1.00 0.36 N ATOM 1566 CA ARG A 116 10.295 -2.651 7.282 1.00 0.39 C ATOM 1567 C ARG A 116 8.788 -2.739 7.475 1.00 0.35 C ATOM 1568 O ARG A 116 8.276 -3.739 7.976 1.00 0.42 O ATOM 1569 CB ARG A 116 10.886 -1.653 8.280 1.00 0.50 C ATOM 1570 CG ARG A 116 12.392 -1.752 8.428 1.00 1.14 C ATOM 1571 CD ARG A 116 12.924 -0.717 9.407 1.00 1.65 C ATOM 1572 NE ARG A 116 14.361 -0.863 9.625 1.00 2.40 N ATOM 1573 CZ ARG A 116 15.107 0.003 10.311 1.00 3.29 C ATOM 1574 NH1 ARG A 116 14.558 1.094 10.833 1.00 3.61 N ATOM 1575 NH2 ARG A 116 16.406 -0.222 10.468 1.00 4.21 N ATOM 0 H ARG A 116 11.046 -1.352 5.816 1.00 0.36 H new ATOM 0 HA ARG A 116 10.738 -3.630 7.467 1.00 0.39 H new ATOM 0 HB2 ARG A 116 10.627 -0.642 7.965 1.00 0.50 H new ATOM 0 HB3 ARG A 116 10.424 -1.811 9.254 1.00 0.50 H new ATOM 0 HG2 ARG A 116 12.660 -2.751 8.771 1.00 1.14 H new ATOM 0 HG3 ARG A 116 12.864 -1.612 7.456 1.00 1.14 H new ATOM 0 HD2 ARG A 116 12.714 0.283 9.028 1.00 1.65 H new ATOM 0 HD3 ARG A 116 12.401 -0.814 10.358 1.00 1.65 H new ATOM 0 HE ARG A 116 14.823 -1.680 9.227 1.00 2.40 H new ATOM 0 HH11 ARG A 116 13.561 1.272 10.710 1.00 3.61 H new ATOM 0 HH12 ARG A 116 15.133 1.754 11.357 1.00 3.61 H new ATOM 0 HH21 ARG A 116 16.832 -1.056 10.064 1.00 4.21 H new ATOM 0 HH22 ARG A 116 16.978 0.439 10.993 1.00 4.21 H new ATOM 1589 N TRP A 117 8.080 -1.695 7.049 1.00 0.31 N ATOM 1590 CA TRP A 117 6.631 -1.640 7.208 1.00 0.32 C ATOM 1591 C TRP A 117 5.967 -2.770 6.435 1.00 0.30 C ATOM 1592 O TRP A 117 5.065 -3.429 6.943 1.00 0.36 O ATOM 1593 CB TRP A 117 6.066 -0.293 6.739 1.00 0.36 C ATOM 1594 CG TRP A 117 6.700 0.918 7.371 1.00 0.40 C ATOM 1595 CD1 TRP A 117 6.852 2.142 6.785 1.00 0.47 C ATOM 1596 CD2 TRP A 117 7.267 1.036 8.691 1.00 0.56 C ATOM 1597 NE1 TRP A 117 7.474 3.009 7.648 1.00 0.53 N ATOM 1598 CE2 TRP A 117 7.741 2.356 8.822 1.00 0.60 C ATOM 1599 CE3 TRP A 117 7.424 0.161 9.773 1.00 0.76 C ATOM 1600 CZ2 TRP A 117 8.355 2.819 9.982 1.00 0.80 C ATOM 1601 CZ3 TRP A 117 8.034 0.623 10.923 1.00 0.98 C ATOM 1602 CH2 TRP A 117 8.492 1.942 11.020 1.00 0.99 C ATOM 0 H TRP A 117 8.486 -0.878 6.592 1.00 0.31 H new ATOM 0 HA TRP A 117 6.414 -1.752 8.270 1.00 0.32 H new ATOM 0 HB2 TRP A 117 6.184 -0.223 5.658 1.00 0.36 H new ATOM 0 HB3 TRP A 117 4.996 -0.273 6.945 1.00 0.36 H new ATOM 0 HD1 TRP A 117 6.529 2.392 5.785 1.00 0.47 H new ATOM 0 HE1 TRP A 117 7.701 3.983 7.447 1.00 0.53 H new ATOM 0 HE3 TRP A 117 7.074 -0.859 9.709 1.00 0.76 H new ATOM 0 HZ2 TRP A 117 8.711 3.836 10.059 1.00 0.80 H new ATOM 0 HZ3 TRP A 117 8.160 -0.045 11.762 1.00 0.98 H new ATOM 0 HH2 TRP A 117 8.963 2.273 11.934 1.00 0.99 H new ATOM 1613 N ILE A 118 6.428 -2.996 5.208 1.00 0.29 N ATOM 1614 CA ILE A 118 5.895 -4.072 4.378 1.00 0.32 C ATOM 1615 C ILE A 118 6.164 -5.431 5.020 1.00 0.36 C ATOM 1616 O ILE A 118 5.315 -6.324 4.990 1.00 0.40 O ATOM 1617 CB ILE A 118 6.492 -4.034 2.951 1.00 0.41 C ATOM 1618 CG1 ILE A 118 6.126 -2.715 2.262 1.00 0.44 C ATOM 1619 CG2 ILE A 118 5.999 -5.218 2.127 1.00 0.51 C ATOM 1620 CD1 ILE A 118 6.703 -2.567 0.871 1.00 0.57 C ATOM 0 H ILE A 118 7.168 -2.450 4.767 1.00 0.29 H new ATOM 0 HA ILE A 118 4.818 -3.923 4.300 1.00 0.32 H new ATOM 0 HB ILE A 118 7.577 -4.102 3.029 1.00 0.41 H new ATOM 0 HG12 ILE A 118 5.040 -2.636 2.204 1.00 0.44 H new ATOM 0 HG13 ILE A 118 6.474 -1.886 2.879 1.00 0.44 H new ATOM 0 HG21 ILE A 118 6.431 -5.171 1.128 1.00 0.51 H new ATOM 0 HG22 ILE A 118 6.301 -6.148 2.609 1.00 0.51 H new ATOM 0 HG23 ILE A 118 4.912 -5.183 2.054 1.00 0.51 H new ATOM 0 HD11 ILE A 118 6.399 -1.608 0.451 1.00 0.57 H new ATOM 0 HD12 ILE A 118 7.791 -2.612 0.922 1.00 0.57 H new ATOM 0 HD13 ILE A 118 6.335 -3.374 0.237 1.00 0.57 H new ATOM 1632 N LYS A 119 7.341 -5.576 5.618 1.00 0.41 N ATOM 1633 CA LYS A 119 7.705 -6.810 6.300 1.00 0.53 C ATOM 1634 C LYS A 119 6.787 -7.050 7.496 1.00 0.55 C ATOM 1635 O LYS A 119 6.241 -8.142 7.658 1.00 0.67 O ATOM 1636 CB LYS A 119 9.161 -6.753 6.764 1.00 0.63 C ATOM 1637 CG LYS A 119 9.634 -8.024 7.451 1.00 1.09 C ATOM 1638 CD LYS A 119 11.062 -7.894 7.954 1.00 1.34 C ATOM 1639 CE LYS A 119 11.173 -6.840 9.041 1.00 2.05 C ATOM 1640 NZ LYS A 119 12.538 -6.784 9.616 1.00 2.66 N ATOM 0 H LYS A 119 8.060 -4.853 5.644 1.00 0.41 H new ATOM 0 HA LYS A 119 7.591 -7.636 5.598 1.00 0.53 H new ATOM 0 HB2 LYS A 119 9.800 -6.557 5.903 1.00 0.63 H new ATOM 0 HB3 LYS A 119 9.282 -5.914 7.449 1.00 0.63 H new ATOM 0 HG2 LYS A 119 8.973 -8.253 8.287 1.00 1.09 H new ATOM 0 HG3 LYS A 119 9.568 -8.860 6.755 1.00 1.09 H new ATOM 0 HD2 LYS A 119 11.402 -8.855 8.341 1.00 1.34 H new ATOM 0 HD3 LYS A 119 11.719 -7.634 7.124 1.00 1.34 H new ATOM 0 HE2 LYS A 119 10.911 -5.865 8.630 1.00 2.05 H new ATOM 0 HE3 LYS A 119 10.454 -7.056 9.831 1.00 2.05 H new ATOM 0 HZ1 LYS A 119 12.574 -6.053 10.355 1.00 2.66 H new ATOM 0 HZ2 LYS A 119 12.778 -7.707 10.031 1.00 2.66 H new ATOM 0 HZ3 LYS A 119 13.221 -6.553 8.867 1.00 2.66 H new ATOM 1654 N GLU A 120 6.612 -6.018 8.317 1.00 0.51 N ATOM 1655 CA GLU A 120 5.747 -6.098 9.491 1.00 0.63 C ATOM 1656 C GLU A 120 4.296 -6.324 9.078 1.00 0.60 C ATOM 1657 O GLU A 120 3.566 -7.069 9.722 1.00 0.79 O ATOM 1658 CB GLU A 120 5.852 -4.819 10.325 1.00 0.71 C ATOM 1659 CG GLU A 120 7.226 -4.581 10.930 1.00 1.43 C ATOM 1660 CD GLU A 120 7.281 -3.317 11.768 1.00 1.83 C ATOM 1661 OE1 GLU A 120 6.207 -2.813 12.167 1.00 2.48 O ATOM 1662 OE2 GLU A 120 8.396 -2.831 12.055 1.00 2.33 O ATOM 0 H GLU A 120 7.061 -5.111 8.190 1.00 0.51 H new ATOM 0 HA GLU A 120 6.078 -6.943 10.094 1.00 0.63 H new ATOM 0 HB2 GLU A 120 5.591 -3.967 9.697 1.00 0.71 H new ATOM 0 HB3 GLU A 120 5.116 -4.861 11.128 1.00 0.71 H new ATOM 0 HG2 GLU A 120 7.500 -5.435 11.549 1.00 1.43 H new ATOM 0 HG3 GLU A 120 7.965 -4.516 10.131 1.00 1.43 H new ATOM 1669 N PHE A 121 3.899 -5.677 7.989 1.00 0.44 N ATOM 1670 CA PHE A 121 2.549 -5.807 7.444 1.00 0.43 C ATOM 1671 C PHE A 121 2.278 -7.245 7.003 1.00 0.46 C ATOM 1672 O PHE A 121 1.132 -7.695 6.965 1.00 0.54 O ATOM 1673 CB PHE A 121 2.387 -4.841 6.265 1.00 0.38 C ATOM 1674 CG PHE A 121 1.030 -4.853 5.623 1.00 0.43 C ATOM 1675 CD1 PHE A 121 -0.053 -4.261 6.250 1.00 1.37 C ATOM 1676 CD2 PHE A 121 0.844 -5.443 4.383 1.00 1.19 C ATOM 1677 CE1 PHE A 121 -1.298 -4.258 5.654 1.00 1.43 C ATOM 1678 CE2 PHE A 121 -0.399 -5.446 3.784 1.00 1.23 C ATOM 1679 CZ PHE A 121 -1.470 -4.853 4.420 1.00 0.67 C ATOM 0 H PHE A 121 4.501 -5.048 7.458 1.00 0.44 H new ATOM 0 HA PHE A 121 1.824 -5.556 8.219 1.00 0.43 H new ATOM 0 HB2 PHE A 121 2.601 -3.830 6.610 1.00 0.38 H new ATOM 0 HB3 PHE A 121 3.133 -5.084 5.509 1.00 0.38 H new ATOM 0 HD1 PHE A 121 0.078 -3.796 7.216 1.00 1.37 H new ATOM 0 HD2 PHE A 121 1.681 -5.905 3.880 1.00 1.19 H new ATOM 0 HE1 PHE A 121 -2.135 -3.791 6.152 1.00 1.43 H new ATOM 0 HE2 PHE A 121 -0.533 -5.912 2.819 1.00 1.23 H new ATOM 0 HZ PHE A 121 -2.444 -4.854 3.952 1.00 0.67 H new ATOM 1689 N SER A 122 3.343 -7.960 6.682 1.00 0.44 N ATOM 1690 CA SER A 122 3.237 -9.344 6.252 1.00 0.50 C ATOM 1691 C SER A 122 3.453 -10.292 7.430 1.00 0.58 C ATOM 1692 O SER A 122 3.272 -11.505 7.309 1.00 0.80 O ATOM 1693 CB SER A 122 4.267 -9.618 5.158 1.00 0.57 C ATOM 1694 OG SER A 122 4.159 -8.664 4.116 1.00 1.31 O ATOM 0 H SER A 122 4.298 -7.602 6.712 1.00 0.44 H new ATOM 0 HA SER A 122 2.236 -9.516 5.857 1.00 0.50 H new ATOM 0 HB2 SER A 122 5.271 -9.589 5.582 1.00 0.57 H new ATOM 0 HB3 SER A 122 4.120 -10.621 4.756 1.00 0.57 H new ATOM 0 HG SER A 122 4.659 -7.857 4.358 1.00 1.31 H new ATOM 1700 N GLU A 123 3.819 -9.726 8.573 1.00 0.63 N ATOM 1701 CA GLU A 123 4.135 -10.510 9.756 1.00 0.81 C ATOM 1702 C GLU A 123 3.386 -9.957 10.965 1.00 0.92 C ATOM 1703 O GLU A 123 3.981 -9.397 11.889 1.00 1.44 O ATOM 1704 CB GLU A 123 5.646 -10.495 10.002 1.00 1.25 C ATOM 1705 CG GLU A 123 6.105 -11.425 11.114 1.00 1.57 C ATOM 1706 CD GLU A 123 7.598 -11.352 11.338 1.00 1.91 C ATOM 1707 OE1 GLU A 123 8.042 -10.528 12.170 1.00 2.53 O ATOM 1708 OE2 GLU A 123 8.338 -12.109 10.675 1.00 2.37 O ATOM 0 H GLU A 123 3.904 -8.718 8.704 1.00 0.63 H new ATOM 0 HA GLU A 123 3.820 -11.541 9.598 1.00 0.81 H new ATOM 0 HB2 GLU A 123 6.156 -10.771 9.079 1.00 1.25 H new ATOM 0 HB3 GLU A 123 5.953 -9.478 10.244 1.00 1.25 H new ATOM 0 HG2 GLU A 123 5.587 -11.167 12.038 1.00 1.57 H new ATOM 0 HG3 GLU A 123 5.826 -12.449 10.867 1.00 1.57 H new ATOM 1715 N GLU A 124 2.071 -10.096 10.935 1.00 1.15 N ATOM 1716 CA GLU A 124 1.227 -9.624 12.016 1.00 1.53 C ATOM 1717 C GLU A 124 0.015 -10.532 12.185 1.00 2.14 C ATOM 1718 O GLU A 124 -0.104 -11.166 13.251 1.00 2.76 O ATOM 1719 CB GLU A 124 0.794 -8.174 11.780 1.00 1.74 C ATOM 1720 CG GLU A 124 0.334 -7.885 10.361 1.00 1.61 C ATOM 1721 CD GLU A 124 -0.289 -6.515 10.228 1.00 1.88 C ATOM 1722 OE1 GLU A 124 0.457 -5.517 10.182 1.00 2.49 O ATOM 1723 OE2 GLU A 124 -1.536 -6.427 10.185 1.00 2.34 O ATOM 1724 OXT GLU A 124 -0.797 -10.641 11.238 1.00 2.57 O ATOM 0 H GLU A 124 1.564 -10.535 10.167 1.00 1.15 H new ATOM 0 HA GLU A 124 1.807 -9.654 12.938 1.00 1.53 H new ATOM 0 HB2 GLU A 124 -0.015 -7.931 12.469 1.00 1.74 H new ATOM 0 HB3 GLU A 124 1.627 -7.514 12.022 1.00 1.74 H new ATOM 0 HG2 GLU A 124 1.184 -7.963 9.683 1.00 1.61 H new ATOM 0 HG3 GLU A 124 -0.388 -8.642 10.054 1.00 1.61 H new TER 1731 GLU A 124