USER MOD reduce.3.24.130724 H: found=0, std=0, add=727, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 728 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 65 MET CE :methyl -126:sc= -0.145 (180deg=-0.821) USER MOD Set 1.2: A 70 HIS : no HD1:sc= -2.69! K(o=-2.8!,f=-1.1) USER MOD Set 2.1: A 38 ASN : amide:sc= 2.28 K(o=3.5,f=-0.99) USER MOD Set 2.2: A 40 TYR OH : rot -142:sc= 1.22 USER MOD Set 3.1: A 10 LYS NZ :NH3+ -113:sc= 0.0323 (180deg=-0.173) USER MOD Set 3.2: A 11 THR OG1 : rot 45:sc= 0.0674 USER MOD Single : A 3 THR OG1 : rot 5:sc= 0.9 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 164:sc= -0.0415 (180deg=-0.336) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 0.173 K(o=0.17,f=-4.6!) USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 41:sc= 0.118 USER MOD Single : A 25 GLN : amide:sc= 1.15 K(o=1.2,f=-0.13) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.0849 USER MOD Single : A 29 LYS NZ :NH3+ -164:sc= 1.11 (180deg=1.04) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= 0.928 K(o=0.93,f=-0.0016) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 57 TYR OH : rot 180:sc= -0.41 USER MOD Single : A 58 THR OG1 : rot 132:sc= 1.19 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ -147:sc= 1.14 (180deg=1.1) USER MOD Single : A 66 ASN : amide:sc=-0.00255 K(o=-0.0026,f=-3.2!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 80:sc= 1.11 USER MOD Single : A 75 SER OG : rot -84:sc= 1.06 USER MOD Single : A 76 ASN : amide:sc= 1.19 K(o=1.2,f=-0.0063) USER MOD Single : A 80 ASN : amide:sc= -2.25! C(o=-2.2!,f=-6.4!) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN : amide:sc= -0.509 K(o=-0.51,f=-1.5) USER MOD Single : A 93 TYR OH : rot 180:sc= -0.673 USER MOD Single : A 96 LYS NZ :NH3+ -166:sc= -0.0706 (180deg=-0.325) USER MOD Single : A 97 GLN : amide:sc= 0.806 K(o=0.81,f=-0.29) USER MOD ----------------------------------------------------------------- ATOM 20 N PHE A 2 -8.498 -1.107 3.093 1.00 0.00 N ATOM 21 CA PHE A 2 -9.753 -1.764 2.770 1.00 0.00 C ATOM 22 C PHE A 2 -10.862 -0.731 2.700 1.00 0.00 C ATOM 23 O PHE A 2 -11.007 0.086 3.607 1.00 0.00 O ATOM 24 CB PHE A 2 -10.100 -2.817 3.824 1.00 0.00 C ATOM 25 CG PHE A 2 -9.001 -3.811 4.075 1.00 0.00 C ATOM 26 CD1 PHE A 2 -8.683 -4.770 3.128 1.00 0.00 C ATOM 27 CD2 PHE A 2 -8.287 -3.785 5.263 1.00 0.00 C ATOM 28 CE1 PHE A 2 -7.674 -5.684 3.359 1.00 0.00 C ATOM 29 CE2 PHE A 2 -7.277 -4.697 5.501 1.00 0.00 C ATOM 30 CZ PHE A 2 -6.971 -5.646 4.547 1.00 0.00 C ATOM 0 HA PHE A 2 -9.648 -2.260 1.805 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -10.343 -2.314 4.760 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -10.996 -3.352 3.508 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -9.231 -4.803 2.198 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -8.523 -3.043 6.011 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -7.435 -6.427 2.612 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -6.729 -4.667 6.431 1.00 0.00 H new ATOM 0 HZ PHE A 2 -6.181 -6.360 4.730 1.00 0.00 H new ATOM 40 N THR A 3 -11.635 -0.752 1.630 1.00 0.00 N ATOM 41 CA THR A 3 -12.721 0.197 1.473 1.00 0.00 C ATOM 42 C THR A 3 -14.067 -0.510 1.514 1.00 0.00 C ATOM 43 O THR A 3 -14.324 -1.429 0.735 1.00 0.00 O ATOM 44 CB THR A 3 -12.588 1.018 0.171 1.00 0.00 C ATOM 45 OG1 THR A 3 -12.271 0.162 -0.936 1.00 0.00 O ATOM 46 CG2 THR A 3 -11.513 2.084 0.311 1.00 0.00 C ATOM 0 H THR A 3 -11.532 -1.413 0.860 1.00 0.00 H new ATOM 0 HA THR A 3 -12.661 0.892 2.310 1.00 0.00 H new ATOM 0 HB THR A 3 -13.546 1.504 -0.015 1.00 0.00 H new ATOM 0 HG1 THR A 3 -12.281 -0.772 -0.640 1.00 0.00 H new ATOM 0 HG21 THR A 3 -11.438 2.649 -0.618 1.00 0.00 H new ATOM 0 HG22 THR A 3 -11.774 2.759 1.126 1.00 0.00 H new ATOM 0 HG23 THR A 3 -10.556 1.609 0.525 1.00 0.00 H new ATOM 54 N ALA A 4 -14.915 -0.087 2.435 1.00 0.00 N ATOM 55 CA ALA A 4 -16.225 -0.688 2.605 1.00 0.00 C ATOM 56 C ALA A 4 -17.301 0.249 2.087 1.00 0.00 C ATOM 57 O ALA A 4 -17.266 1.453 2.349 1.00 0.00 O ATOM 58 CB ALA A 4 -16.473 -1.026 4.065 1.00 0.00 C ATOM 0 H ALA A 4 -14.717 0.677 3.081 1.00 0.00 H new ATOM 0 HA ALA A 4 -16.260 -1.613 2.030 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -17.460 -1.476 4.172 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -15.715 -1.729 4.410 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -16.422 -0.116 4.663 1.00 0.00 H new ATOM 64 N LYS A 5 -18.239 -0.302 1.340 1.00 0.00 N ATOM 65 CA LYS A 5 -19.307 0.486 0.754 1.00 0.00 C ATOM 66 C LYS A 5 -20.662 -0.101 1.120 1.00 0.00 C ATOM 67 O LYS A 5 -20.932 -1.274 0.855 1.00 0.00 O ATOM 68 CB LYS A 5 -19.129 0.543 -0.766 1.00 0.00 C ATOM 69 CG LYS A 5 -20.144 1.421 -1.482 1.00 0.00 C ATOM 70 CD LYS A 5 -19.701 1.727 -2.907 1.00 0.00 C ATOM 71 CE LYS A 5 -19.605 0.472 -3.762 1.00 0.00 C ATOM 72 NZ LYS A 5 -20.943 -0.048 -4.152 1.00 0.00 N ATOM 0 H LYS A 5 -18.283 -1.298 1.124 1.00 0.00 H new ATOM 0 HA LYS A 5 -19.263 1.501 1.150 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -18.127 0.910 -0.989 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -19.195 -0.469 -1.166 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -21.113 0.922 -1.499 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -20.275 2.353 -0.931 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -20.406 2.422 -3.363 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -18.731 2.225 -2.885 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -19.026 0.690 -4.660 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -19.064 -0.299 -3.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -20.827 -0.903 -4.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -21.487 -0.281 -3.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -21.451 0.676 -4.699 1.00 0.00 H new ATOM 86 N LEU A 6 -21.500 0.715 1.745 1.00 0.00 N ATOM 87 CA LEU A 6 -22.840 0.300 2.137 1.00 0.00 C ATOM 88 C LEU A 6 -23.663 -0.016 0.889 1.00 0.00 C ATOM 89 O LEU A 6 -23.888 0.855 0.045 1.00 0.00 O ATOM 90 CB LEU A 6 -23.496 1.410 2.984 1.00 0.00 C ATOM 91 CG LEU A 6 -24.832 1.073 3.669 1.00 0.00 C ATOM 92 CD1 LEU A 6 -25.985 1.115 2.682 1.00 0.00 C ATOM 93 CD2 LEU A 6 -24.765 -0.288 4.346 1.00 0.00 C ATOM 0 H LEU A 6 -21.272 1.678 1.993 1.00 0.00 H new ATOM 0 HA LEU A 6 -22.790 -0.603 2.745 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -22.787 1.710 3.755 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -23.654 2.276 2.342 1.00 0.00 H new ATOM 0 HG LEU A 6 -25.011 1.832 4.431 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -26.914 0.872 3.197 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -26.059 2.114 2.251 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -25.811 0.389 1.888 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -25.721 -0.504 4.823 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -24.549 -1.054 3.602 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -23.977 -0.281 5.099 1.00 0.00 H new ATOM 105 N ILE A 7 -24.088 -1.265 0.761 1.00 0.00 N ATOM 106 CA ILE A 7 -24.826 -1.697 -0.421 1.00 0.00 C ATOM 107 C ILE A 7 -26.307 -1.890 -0.118 1.00 0.00 C ATOM 108 O ILE A 7 -27.153 -1.749 -1.003 1.00 0.00 O ATOM 109 CB ILE A 7 -24.251 -3.005 -1.014 1.00 0.00 C ATOM 110 CG1 ILE A 7 -24.296 -4.142 0.011 1.00 0.00 C ATOM 111 CG2 ILE A 7 -22.832 -2.782 -1.502 1.00 0.00 C ATOM 112 CD1 ILE A 7 -23.792 -5.466 -0.524 1.00 0.00 C ATOM 0 H ILE A 7 -23.936 -1.995 1.457 1.00 0.00 H new ATOM 0 HA ILE A 7 -24.715 -0.901 -1.158 1.00 0.00 H new ATOM 0 HB ILE A 7 -24.871 -3.295 -1.862 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -23.700 -3.860 0.879 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -25.322 -4.267 0.357 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -22.440 -3.711 -1.917 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -22.829 -2.011 -2.272 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -22.206 -2.464 -0.668 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -23.854 -6.222 0.259 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -24.403 -5.772 -1.373 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -22.755 -5.359 -0.843 1.00 0.00 H new ATOM 124 N LYS A 8 -26.617 -2.199 1.130 1.00 0.00 N ATOM 125 CA LYS A 8 -27.989 -2.455 1.534 1.00 0.00 C ATOM 126 C LYS A 8 -28.438 -1.427 2.563 1.00 0.00 C ATOM 127 O LYS A 8 -28.080 -1.516 3.737 1.00 0.00 O ATOM 128 CB LYS A 8 -28.107 -3.873 2.100 1.00 0.00 C ATOM 129 CG LYS A 8 -27.766 -4.959 1.090 1.00 0.00 C ATOM 130 CD LYS A 8 -27.844 -6.348 1.704 1.00 0.00 C ATOM 131 CE LYS A 8 -29.275 -6.748 2.024 1.00 0.00 C ATOM 132 NZ LYS A 8 -30.115 -6.830 0.800 1.00 0.00 N ATOM 0 H LYS A 8 -25.934 -2.279 1.883 1.00 0.00 H new ATOM 0 HA LYS A 8 -28.639 -2.370 0.663 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -27.446 -3.968 2.961 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -29.124 -4.029 2.460 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -28.451 -4.897 0.245 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -26.762 -4.790 0.700 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -27.410 -7.074 1.016 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -27.247 -6.376 2.616 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -29.277 -7.713 2.531 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -29.709 -6.024 2.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -30.987 -7.356 1.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -30.358 -5.870 0.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -29.588 -7.321 0.050 1.00 0.00 H new ATOM 146 N GLY A 9 -29.190 -0.432 2.111 1.00 0.00 N ATOM 147 CA GLY A 9 -29.670 0.596 3.008 1.00 0.00 C ATOM 148 C GLY A 9 -29.637 1.976 2.382 1.00 0.00 C ATOM 149 O GLY A 9 -30.242 2.203 1.333 1.00 0.00 O ATOM 0 H GLY A 9 -29.475 -0.320 1.138 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -30.691 0.362 3.310 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -29.062 0.597 3.913 1.00 0.00 H new ATOM 153 N LYS A 10 -28.899 2.888 3.008 1.00 0.00 N ATOM 154 CA LYS A 10 -28.865 4.286 2.597 1.00 0.00 C ATOM 155 C LYS A 10 -27.860 5.052 3.449 1.00 0.00 C ATOM 156 O LYS A 10 -26.922 5.654 2.932 1.00 0.00 O ATOM 157 CB LYS A 10 -30.262 4.929 2.708 1.00 0.00 C ATOM 158 CG LYS A 10 -30.949 4.707 4.050 1.00 0.00 C ATOM 159 CD LYS A 10 -32.306 5.390 4.115 1.00 0.00 C ATOM 160 CE LYS A 10 -32.998 5.114 5.441 1.00 0.00 C ATOM 161 NZ LYS A 10 -32.226 5.650 6.596 1.00 0.00 N ATOM 0 H LYS A 10 -28.309 2.678 3.813 1.00 0.00 H new ATOM 0 HA LYS A 10 -28.556 4.331 1.553 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -30.171 6.001 2.533 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -30.897 4.529 1.917 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -31.073 3.638 4.221 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -30.313 5.087 4.850 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -32.182 6.465 3.984 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -32.932 5.039 3.295 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -33.992 5.561 5.431 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -33.133 4.039 5.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -31.872 4.861 7.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -31.423 6.211 6.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -32.843 6.253 7.176 1.00 0.00 H new ATOM 175 N THR A 11 -28.050 4.992 4.757 1.00 0.00 N ATOM 176 CA THR A 11 -27.207 5.696 5.706 1.00 0.00 C ATOM 177 C THR A 11 -26.986 4.842 6.948 1.00 0.00 C ATOM 178 O THR A 11 -27.943 4.475 7.629 1.00 0.00 O ATOM 179 CB THR A 11 -27.852 7.036 6.116 1.00 0.00 C ATOM 180 OG1 THR A 11 -29.267 6.859 6.296 1.00 0.00 O ATOM 181 CG2 THR A 11 -27.597 8.114 5.073 1.00 0.00 C ATOM 0 H THR A 11 -28.797 4.450 5.191 1.00 0.00 H new ATOM 0 HA THR A 11 -26.249 5.895 5.226 1.00 0.00 H new ATOM 0 HB THR A 11 -27.399 7.358 7.054 1.00 0.00 H new ATOM 0 HG1 THR A 11 -29.432 6.038 6.805 1.00 0.00 H new ATOM 0 HG21 THR A 11 -28.064 9.046 5.391 1.00 0.00 H new ATOM 0 HG22 THR A 11 -26.523 8.266 4.962 1.00 0.00 H new ATOM 0 HG23 THR A 11 -28.020 7.804 4.118 1.00 0.00 H new ATOM 189 N TYR A 12 -25.734 4.509 7.227 1.00 0.00 N ATOM 190 CA TYR A 12 -25.408 3.683 8.378 1.00 0.00 C ATOM 191 C TYR A 12 -23.984 3.962 8.828 1.00 0.00 C ATOM 192 O TYR A 12 -23.048 3.864 8.040 1.00 0.00 O ATOM 193 CB TYR A 12 -25.576 2.198 8.034 1.00 0.00 C ATOM 194 CG TYR A 12 -25.432 1.271 9.224 1.00 0.00 C ATOM 195 CD1 TYR A 12 -26.475 1.105 10.129 1.00 0.00 C ATOM 196 CD2 TYR A 12 -24.259 0.558 9.441 1.00 0.00 C ATOM 197 CE1 TYR A 12 -26.352 0.259 11.213 1.00 0.00 C ATOM 198 CE2 TYR A 12 -24.128 -0.291 10.525 1.00 0.00 C ATOM 199 CZ TYR A 12 -25.177 -0.436 11.408 1.00 0.00 C ATOM 200 OH TYR A 12 -25.055 -1.284 12.487 1.00 0.00 O ATOM 0 H TYR A 12 -24.929 4.798 6.672 1.00 0.00 H new ATOM 0 HA TYR A 12 -26.090 3.928 9.192 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -26.558 2.048 7.586 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -24.837 1.924 7.281 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -27.397 1.647 9.981 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -23.435 0.669 8.751 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -27.173 0.142 11.905 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -23.209 -0.837 10.679 1.00 0.00 H new ATOM 0 HH TYR A 12 -24.167 -1.697 12.479 1.00 0.00 H new ATOM 210 N ASN A 13 -23.824 4.327 10.087 1.00 0.00 N ATOM 211 CA ASN A 13 -22.508 4.614 10.627 1.00 0.00 C ATOM 212 C ASN A 13 -22.072 3.518 11.587 1.00 0.00 C ATOM 213 O ASN A 13 -22.858 3.044 12.407 1.00 0.00 O ATOM 214 CB ASN A 13 -22.482 5.985 11.319 1.00 0.00 C ATOM 215 CG ASN A 13 -23.425 6.096 12.506 1.00 0.00 C ATOM 216 OD1 ASN A 13 -24.484 5.467 12.550 1.00 0.00 O ATOM 217 ND2 ASN A 13 -23.047 6.913 13.475 1.00 0.00 N ATOM 0 H ASN A 13 -24.588 4.432 10.754 1.00 0.00 H new ATOM 0 HA ASN A 13 -21.802 4.644 9.797 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -21.466 6.192 11.655 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -22.740 6.753 10.590 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -23.640 7.040 14.295 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -22.163 7.416 13.402 1.00 0.00 H new ATOM 224 N VAL A 14 -20.824 3.103 11.460 1.00 0.00 N ATOM 225 CA VAL A 14 -20.272 2.068 12.316 1.00 0.00 C ATOM 226 C VAL A 14 -19.294 2.682 13.309 1.00 0.00 C ATOM 227 O VAL A 14 -18.192 3.092 12.931 1.00 0.00 O ATOM 228 CB VAL A 14 -19.558 0.967 11.501 1.00 0.00 C ATOM 229 CG1 VAL A 14 -19.027 -0.127 12.418 1.00 0.00 C ATOM 230 CG2 VAL A 14 -20.497 0.380 10.457 1.00 0.00 C ATOM 0 H VAL A 14 -20.170 3.469 10.768 1.00 0.00 H new ATOM 0 HA VAL A 14 -21.103 1.606 12.849 1.00 0.00 H new ATOM 0 HB VAL A 14 -18.711 1.421 10.987 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -18.528 -0.891 11.822 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -18.317 0.303 13.124 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -19.855 -0.577 12.965 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -19.976 -0.394 9.893 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -21.366 -0.054 10.952 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -20.823 1.167 9.777 1.00 0.00 H new ATOM 240 N MET A 15 -19.724 2.755 14.569 1.00 0.00 N ATOM 241 CA MET A 15 -18.935 3.339 15.656 1.00 0.00 C ATOM 242 C MET A 15 -18.723 4.838 15.446 1.00 0.00 C ATOM 243 O MET A 15 -19.363 5.662 16.103 1.00 0.00 O ATOM 244 CB MET A 15 -17.587 2.623 15.809 1.00 0.00 C ATOM 245 CG MET A 15 -17.720 1.155 16.180 1.00 0.00 C ATOM 246 SD MET A 15 -16.126 0.329 16.337 1.00 0.00 S ATOM 247 CE MET A 15 -16.653 -1.332 16.761 1.00 0.00 C ATOM 0 H MET A 15 -20.636 2.408 14.867 1.00 0.00 H new ATOM 0 HA MET A 15 -19.501 3.203 16.578 1.00 0.00 H new ATOM 0 HB2 MET A 15 -17.033 2.705 14.874 1.00 0.00 H new ATOM 0 HB3 MET A 15 -16.999 3.131 16.573 1.00 0.00 H new ATOM 0 HG2 MET A 15 -18.263 1.070 17.122 1.00 0.00 H new ATOM 0 HG3 MET A 15 -18.315 0.646 15.422 1.00 0.00 H new ATOM 0 HE1 MET A 15 -15.778 -1.969 16.892 1.00 0.00 H new ATOM 0 HE2 MET A 15 -17.226 -1.306 17.688 1.00 0.00 H new ATOM 0 HE3 MET A 15 -17.276 -1.732 15.961 1.00 0.00 H new ATOM 257 N GLY A 16 -17.835 5.185 14.525 1.00 0.00 N ATOM 258 CA GLY A 16 -17.557 6.580 14.249 1.00 0.00 C ATOM 259 C GLY A 16 -17.409 6.868 12.769 1.00 0.00 C ATOM 260 O GLY A 16 -17.222 8.016 12.373 1.00 0.00 O ATOM 0 H GLY A 16 -17.301 4.523 13.962 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -18.362 7.193 14.655 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -16.642 6.872 14.765 1.00 0.00 H new ATOM 264 N ILE A 17 -17.487 5.829 11.948 1.00 0.00 N ATOM 265 CA ILE A 17 -17.349 5.993 10.510 1.00 0.00 C ATOM 266 C ILE A 17 -18.725 5.970 9.860 1.00 0.00 C ATOM 267 O ILE A 17 -19.427 4.959 9.907 1.00 0.00 O ATOM 268 CB ILE A 17 -16.452 4.901 9.869 1.00 0.00 C ATOM 269 CG1 ILE A 17 -15.049 4.882 10.498 1.00 0.00 C ATOM 270 CG2 ILE A 17 -16.339 5.128 8.366 1.00 0.00 C ATOM 271 CD1 ILE A 17 -14.973 4.184 11.842 1.00 0.00 C ATOM 0 H ILE A 17 -17.644 4.868 12.253 1.00 0.00 H new ATOM 0 HA ILE A 17 -16.863 6.953 10.338 1.00 0.00 H new ATOM 0 HB ILE A 17 -16.921 3.935 10.057 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -14.362 4.392 9.808 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -14.703 5.909 10.616 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -15.707 4.355 7.928 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -17.331 5.084 7.916 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -15.898 6.107 8.178 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -13.948 4.218 12.212 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -15.631 4.686 12.551 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -15.285 3.145 11.731 1.00 0.00 H new ATOM 283 N THR A 18 -19.107 7.089 9.271 1.00 0.00 N ATOM 284 CA THR A 18 -20.440 7.243 8.711 1.00 0.00 C ATOM 285 C THR A 18 -20.472 6.827 7.240 1.00 0.00 C ATOM 286 O THR A 18 -19.874 7.484 6.390 1.00 0.00 O ATOM 287 CB THR A 18 -20.909 8.703 8.850 1.00 0.00 C ATOM 288 OG1 THR A 18 -20.633 9.169 10.178 1.00 0.00 O ATOM 289 CG2 THR A 18 -22.399 8.826 8.563 1.00 0.00 C ATOM 0 H THR A 18 -18.510 7.909 9.167 1.00 0.00 H new ATOM 0 HA THR A 18 -21.115 6.592 9.267 1.00 0.00 H new ATOM 0 HB THR A 18 -20.369 9.311 8.124 1.00 0.00 H new ATOM 0 HG1 THR A 18 -20.930 10.099 10.267 1.00 0.00 H new ATOM 0 HG21 THR A 18 -22.705 9.867 8.668 1.00 0.00 H new ATOM 0 HG22 THR A 18 -22.603 8.489 7.547 1.00 0.00 H new ATOM 0 HG23 THR A 18 -22.957 8.211 9.269 1.00 0.00 H new ATOM 297 N PHE A 19 -21.166 5.731 6.949 1.00 0.00 N ATOM 298 CA PHE A 19 -21.248 5.218 5.587 1.00 0.00 C ATOM 299 C PHE A 19 -22.564 5.609 4.926 1.00 0.00 C ATOM 300 O PHE A 19 -23.578 5.826 5.596 1.00 0.00 O ATOM 301 CB PHE A 19 -21.123 3.692 5.568 1.00 0.00 C ATOM 302 CG PHE A 19 -19.826 3.165 6.107 1.00 0.00 C ATOM 303 CD1 PHE A 19 -18.703 3.102 5.301 1.00 0.00 C ATOM 304 CD2 PHE A 19 -19.739 2.717 7.413 1.00 0.00 C ATOM 305 CE1 PHE A 19 -17.515 2.600 5.790 1.00 0.00 C ATOM 306 CE2 PHE A 19 -18.554 2.217 7.908 1.00 0.00 C ATOM 307 CZ PHE A 19 -17.440 2.157 7.095 1.00 0.00 C ATOM 0 H PHE A 19 -21.679 5.182 7.638 1.00 0.00 H new ATOM 0 HA PHE A 19 -20.421 5.660 5.031 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -21.942 3.266 6.148 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -21.244 3.343 4.542 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -18.757 3.449 4.280 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -20.609 2.760 8.051 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -16.644 2.554 5.152 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -18.497 1.873 8.930 1.00 0.00 H new ATOM 0 HZ PHE A 19 -16.511 1.764 7.480 1.00 0.00 H new ATOM 317 N ARG A 20 -22.534 5.685 3.605 1.00 0.00 N ATOM 318 CA ARG A 20 -23.726 5.924 2.808 1.00 0.00 C ATOM 319 C ARG A 20 -23.783 4.918 1.669 1.00 0.00 C ATOM 320 O ARG A 20 -22.742 4.433 1.219 1.00 0.00 O ATOM 321 CB ARG A 20 -23.728 7.345 2.232 1.00 0.00 C ATOM 322 CG ARG A 20 -23.991 8.437 3.254 1.00 0.00 C ATOM 323 CD ARG A 20 -23.931 9.812 2.605 1.00 0.00 C ATOM 324 NE ARG A 20 -24.368 10.876 3.508 1.00 0.00 N ATOM 325 CZ ARG A 20 -24.048 12.161 3.355 1.00 0.00 C ATOM 326 NH1 ARG A 20 -23.236 12.538 2.375 1.00 0.00 N ATOM 327 NH2 ARG A 20 -24.538 13.065 4.194 1.00 0.00 N ATOM 0 H ARG A 20 -21.681 5.583 3.055 1.00 0.00 H new ATOM 0 HA ARG A 20 -24.598 5.811 3.452 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -22.765 7.533 1.758 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -24.485 7.406 1.450 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -24.970 8.287 3.709 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -23.255 8.376 4.055 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -22.910 10.012 2.279 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -24.557 9.817 1.713 1.00 0.00 H new ATOM 0 HE ARG A 20 -24.953 10.619 4.303 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -22.853 11.843 1.734 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -22.995 13.523 2.263 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -25.156 12.775 4.952 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -24.296 14.049 4.081 1.00 0.00 H new ATOM 341 N ALA A 21 -24.988 4.583 1.227 1.00 0.00 N ATOM 342 CA ALA A 21 -25.161 3.701 0.080 1.00 0.00 C ATOM 343 C ALA A 21 -24.468 4.274 -1.156 1.00 0.00 C ATOM 344 O ALA A 21 -24.879 5.307 -1.687 1.00 0.00 O ATOM 345 CB ALA A 21 -26.640 3.474 -0.198 1.00 0.00 C ATOM 0 H ALA A 21 -25.860 4.908 1.645 1.00 0.00 H new ATOM 0 HA ALA A 21 -24.700 2.742 0.316 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -26.751 2.813 -1.058 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -27.108 3.017 0.674 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -27.121 4.429 -0.410 1.00 0.00 H new ATOM 351 N GLY A 22 -23.404 3.612 -1.595 1.00 0.00 N ATOM 352 CA GLY A 22 -22.678 4.073 -2.762 1.00 0.00 C ATOM 353 C GLY A 22 -21.352 4.717 -2.405 1.00 0.00 C ATOM 354 O GLY A 22 -20.540 5.011 -3.285 1.00 0.00 O ATOM 0 H GLY A 22 -23.032 2.766 -1.164 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -22.501 3.231 -3.431 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -23.291 4.790 -3.307 1.00 0.00 H new ATOM 358 N VAL A 23 -21.126 4.930 -1.116 1.00 0.00 N ATOM 359 CA VAL A 23 -19.894 5.553 -0.651 1.00 0.00 C ATOM 360 C VAL A 23 -18.960 4.511 -0.044 1.00 0.00 C ATOM 361 O VAL A 23 -19.311 3.838 0.925 1.00 0.00 O ATOM 362 CB VAL A 23 -20.178 6.657 0.391 1.00 0.00 C ATOM 363 CG1 VAL A 23 -18.884 7.303 0.868 1.00 0.00 C ATOM 364 CG2 VAL A 23 -21.115 7.704 -0.190 1.00 0.00 C ATOM 0 H VAL A 23 -21.779 4.681 -0.374 1.00 0.00 H new ATOM 0 HA VAL A 23 -19.414 6.008 -1.517 1.00 0.00 H new ATOM 0 HB VAL A 23 -20.661 6.196 1.252 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -19.112 8.077 1.601 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -18.247 6.546 1.326 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -18.366 7.749 0.019 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -21.306 8.475 0.556 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -20.656 8.155 -1.069 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -22.056 7.233 -0.474 1.00 0.00 H new ATOM 374 N SER A 24 -17.780 4.375 -0.632 1.00 0.00 N ATOM 375 CA SER A 24 -16.775 3.444 -0.145 1.00 0.00 C ATOM 376 C SER A 24 -15.690 4.194 0.624 1.00 0.00 C ATOM 377 O SER A 24 -15.065 5.118 0.094 1.00 0.00 O ATOM 378 CB SER A 24 -16.163 2.681 -1.323 1.00 0.00 C ATOM 379 OG SER A 24 -15.747 3.572 -2.345 1.00 0.00 O ATOM 0 H SER A 24 -17.494 4.904 -1.456 1.00 0.00 H new ATOM 0 HA SER A 24 -17.247 2.731 0.531 1.00 0.00 H new ATOM 0 HB2 SER A 24 -15.311 2.095 -0.978 1.00 0.00 H new ATOM 0 HB3 SER A 24 -16.893 1.978 -1.724 1.00 0.00 H new ATOM 0 HG SER A 24 -15.323 4.358 -1.941 1.00 0.00 H new ATOM 385 N GLN A 25 -15.475 3.812 1.875 1.00 0.00 N ATOM 386 CA GLN A 25 -14.483 4.477 2.711 1.00 0.00 C ATOM 387 C GLN A 25 -13.521 3.472 3.325 1.00 0.00 C ATOM 388 O GLN A 25 -13.841 2.289 3.445 1.00 0.00 O ATOM 389 CB GLN A 25 -15.162 5.284 3.815 1.00 0.00 C ATOM 390 CG GLN A 25 -15.988 6.447 3.294 1.00 0.00 C ATOM 391 CD GLN A 25 -16.703 7.190 4.397 1.00 0.00 C ATOM 392 OE1 GLN A 25 -16.175 8.146 4.968 1.00 0.00 O ATOM 393 NE2 GLN A 25 -17.910 6.752 4.707 1.00 0.00 N ATOM 0 H GLN A 25 -15.972 3.048 2.333 1.00 0.00 H new ATOM 0 HA GLN A 25 -13.916 5.155 2.073 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -15.806 4.622 4.395 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -14.401 5.665 4.496 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -15.338 7.138 2.757 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -16.720 6.076 2.577 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -18.308 5.957 4.207 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -18.444 7.209 5.446 1.00 0.00 H new ATOM 402 N THR A 26 -12.349 3.956 3.707 1.00 0.00 N ATOM 403 CA THR A 26 -11.322 3.117 4.298 1.00 0.00 C ATOM 404 C THR A 26 -11.692 2.690 5.713 1.00 0.00 C ATOM 405 O THR A 26 -12.058 3.519 6.551 1.00 0.00 O ATOM 406 CB THR A 26 -9.973 3.854 4.314 1.00 0.00 C ATOM 407 OG1 THR A 26 -10.197 5.267 4.438 1.00 0.00 O ATOM 408 CG2 THR A 26 -9.179 3.566 3.049 1.00 0.00 C ATOM 0 H THR A 26 -12.085 4.937 3.616 1.00 0.00 H new ATOM 0 HA THR A 26 -11.238 2.220 3.684 1.00 0.00 H new ATOM 0 HB THR A 26 -9.396 3.498 5.167 1.00 0.00 H new ATOM 0 HG1 THR A 26 -9.336 5.735 4.450 1.00 0.00 H new ATOM 0 HG21 THR A 26 -8.229 4.100 3.086 1.00 0.00 H new ATOM 0 HG22 THR A 26 -8.991 2.495 2.973 1.00 0.00 H new ATOM 0 HG23 THR A 26 -9.747 3.897 2.180 1.00 0.00 H new ATOM 416 N VAL A 27 -11.614 1.391 5.963 1.00 0.00 N ATOM 417 CA VAL A 27 -11.897 0.843 7.279 1.00 0.00 C ATOM 418 C VAL A 27 -10.712 0.033 7.791 1.00 0.00 C ATOM 419 O VAL A 27 -9.989 -0.590 7.008 1.00 0.00 O ATOM 420 CB VAL A 27 -13.158 -0.056 7.273 1.00 0.00 C ATOM 421 CG1 VAL A 27 -14.382 0.739 6.856 1.00 0.00 C ATOM 422 CG2 VAL A 27 -12.972 -1.267 6.365 1.00 0.00 C ATOM 0 H VAL A 27 -11.355 0.694 5.265 1.00 0.00 H new ATOM 0 HA VAL A 27 -12.079 1.690 7.940 1.00 0.00 H new ATOM 0 HB VAL A 27 -13.310 -0.420 8.289 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -15.257 0.088 6.858 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -14.538 1.560 7.556 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -14.231 1.140 5.854 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -13.875 -1.877 6.383 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -12.781 -0.932 5.346 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -12.127 -1.859 6.716 1.00 0.00 H new ATOM 432 N PRO A 28 -10.479 0.060 9.111 1.00 0.00 N ATOM 433 CA PRO A 28 -9.453 -0.765 9.750 1.00 0.00 C ATOM 434 C PRO A 28 -9.761 -2.251 9.598 1.00 0.00 C ATOM 435 O PRO A 28 -10.920 -2.632 9.411 1.00 0.00 O ATOM 436 CB PRO A 28 -9.518 -0.357 11.228 1.00 0.00 C ATOM 437 CG PRO A 28 -10.238 0.948 11.242 1.00 0.00 C ATOM 438 CD PRO A 28 -11.183 0.910 10.079 1.00 0.00 C ATOM 0 HA PRO A 28 -8.469 -0.614 9.306 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -10.046 -1.104 11.820 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -8.519 -0.260 11.654 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -10.778 1.086 12.179 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -9.540 1.780 11.151 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -12.149 0.490 10.358 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -11.372 1.906 9.679 1.00 0.00 H new ATOM 446 N LYS A 29 -8.729 -3.084 9.695 1.00 0.00 N ATOM 447 CA LYS A 29 -8.878 -4.530 9.523 1.00 0.00 C ATOM 448 C LYS A 29 -9.954 -5.098 10.451 1.00 0.00 C ATOM 449 O LYS A 29 -10.697 -6.003 10.070 1.00 0.00 O ATOM 450 CB LYS A 29 -7.541 -5.231 9.774 1.00 0.00 C ATOM 451 CG LYS A 29 -7.576 -6.730 9.516 1.00 0.00 C ATOM 452 CD LYS A 29 -6.207 -7.358 9.713 1.00 0.00 C ATOM 453 CE LYS A 29 -6.231 -8.851 9.430 1.00 0.00 C ATOM 454 NZ LYS A 29 -7.095 -9.592 10.385 1.00 0.00 N ATOM 0 H LYS A 29 -7.775 -2.783 9.893 1.00 0.00 H new ATOM 0 HA LYS A 29 -9.193 -4.713 8.496 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -6.780 -4.780 9.138 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -7.238 -5.056 10.806 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.294 -7.200 10.188 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -7.921 -6.918 8.499 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -5.486 -6.874 9.055 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -5.871 -7.186 10.736 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -6.588 -9.020 8.414 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -5.216 -9.245 9.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -6.877 -10.608 10.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -6.920 -9.248 11.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -8.094 -9.440 10.139 1.00 0.00 H new ATOM 468 N LYS A 30 -10.045 -4.544 11.655 1.00 0.00 N ATOM 469 CA LYS A 30 -11.042 -4.980 12.629 1.00 0.00 C ATOM 470 C LYS A 30 -12.458 -4.783 12.091 1.00 0.00 C ATOM 471 O LYS A 30 -13.300 -5.674 12.196 1.00 0.00 O ATOM 472 CB LYS A 30 -10.871 -4.220 13.945 1.00 0.00 C ATOM 473 CG LYS A 30 -9.538 -4.483 14.628 1.00 0.00 C ATOM 474 CD LYS A 30 -9.415 -3.719 15.939 1.00 0.00 C ATOM 475 CE LYS A 30 -9.361 -2.217 15.713 1.00 0.00 C ATOM 476 NZ LYS A 30 -9.226 -1.463 16.987 1.00 0.00 N ATOM 0 H LYS A 30 -9.440 -3.791 11.981 1.00 0.00 H new ATOM 0 HA LYS A 30 -10.890 -6.044 12.812 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -10.968 -3.151 13.754 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -11.679 -4.497 14.623 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -9.431 -5.551 14.818 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -8.725 -4.195 13.962 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -10.262 -3.960 16.581 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -8.516 -4.040 16.464 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -8.520 -1.979 15.061 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -10.266 -1.896 15.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -9.193 -0.443 16.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -10.041 -1.668 17.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -8.350 -1.749 17.468 1.00 0.00 H new ATOM 490 N LEU A 31 -12.710 -3.626 11.490 1.00 0.00 N ATOM 491 CA LEU A 31 -14.029 -3.328 10.946 1.00 0.00 C ATOM 492 C LEU A 31 -14.229 -4.030 9.612 1.00 0.00 C ATOM 493 O LEU A 31 -15.353 -4.336 9.226 1.00 0.00 O ATOM 494 CB LEU A 31 -14.226 -1.819 10.788 1.00 0.00 C ATOM 495 CG LEU A 31 -14.262 -1.031 12.100 1.00 0.00 C ATOM 496 CD1 LEU A 31 -14.490 0.446 11.829 1.00 0.00 C ATOM 497 CD2 LEU A 31 -15.344 -1.577 13.021 1.00 0.00 C ATOM 0 H LEU A 31 -12.022 -2.883 11.368 1.00 0.00 H new ATOM 0 HA LEU A 31 -14.775 -3.699 11.649 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -13.421 -1.426 10.167 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -15.158 -1.644 10.250 1.00 0.00 H new ATOM 0 HG LEU A 31 -13.298 -1.145 12.596 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -14.513 0.990 12.773 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -13.681 0.831 11.208 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -15.440 0.579 11.311 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -15.355 -1.005 13.949 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -16.314 -1.494 12.532 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -15.138 -2.624 13.243 1.00 0.00 H new ATOM 509 N TYR A 32 -13.127 -4.287 8.921 1.00 0.00 N ATOM 510 CA TYR A 32 -13.155 -5.033 7.669 1.00 0.00 C ATOM 511 C TYR A 32 -13.783 -6.408 7.883 1.00 0.00 C ATOM 512 O TYR A 32 -14.674 -6.816 7.143 1.00 0.00 O ATOM 513 CB TYR A 32 -11.731 -5.169 7.117 1.00 0.00 C ATOM 514 CG TYR A 32 -11.603 -6.062 5.901 1.00 0.00 C ATOM 515 CD1 TYR A 32 -12.065 -5.652 4.655 1.00 0.00 C ATOM 516 CD2 TYR A 32 -11.006 -7.313 6.000 1.00 0.00 C ATOM 517 CE1 TYR A 32 -11.936 -6.464 3.543 1.00 0.00 C ATOM 518 CE2 TYR A 32 -10.872 -8.130 4.894 1.00 0.00 C ATOM 519 CZ TYR A 32 -11.338 -7.703 3.669 1.00 0.00 C ATOM 520 OH TYR A 32 -11.198 -8.516 2.567 1.00 0.00 O ATOM 0 H TYR A 32 -12.195 -3.987 9.209 1.00 0.00 H new ATOM 0 HA TYR A 32 -13.763 -4.492 6.944 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -11.359 -4.177 6.862 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -11.087 -5.558 7.905 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -12.532 -4.684 4.554 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -10.641 -7.652 6.958 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -12.300 -6.132 2.582 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -10.404 -9.099 4.989 1.00 0.00 H new ATOM 0 HH TYR A 32 -10.756 -9.350 2.830 1.00 0.00 H new ATOM 530 N GLU A 33 -13.329 -7.107 8.913 1.00 0.00 N ATOM 531 CA GLU A 33 -13.867 -8.421 9.241 1.00 0.00 C ATOM 532 C GLU A 33 -15.218 -8.301 9.939 1.00 0.00 C ATOM 533 O GLU A 33 -16.080 -9.171 9.799 1.00 0.00 O ATOM 534 CB GLU A 33 -12.882 -9.195 10.108 1.00 0.00 C ATOM 535 CG GLU A 33 -11.642 -9.636 9.353 1.00 0.00 C ATOM 536 CD GLU A 33 -10.577 -10.193 10.270 1.00 0.00 C ATOM 537 OE1 GLU A 33 -10.640 -11.395 10.603 1.00 0.00 O ATOM 538 OE2 GLU A 33 -9.682 -9.427 10.674 1.00 0.00 O ATOM 0 H GLU A 33 -12.589 -6.787 9.537 1.00 0.00 H new ATOM 0 HA GLU A 33 -14.018 -8.969 8.311 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -12.584 -8.573 10.952 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -13.381 -10.073 10.519 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -11.917 -10.393 8.618 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -11.235 -8.789 8.801 1.00 0.00 H new ATOM 545 N TYR A 34 -15.401 -7.217 10.680 1.00 0.00 N ATOM 546 CA TYR A 34 -16.672 -6.952 11.341 1.00 0.00 C ATOM 547 C TYR A 34 -17.784 -6.813 10.304 1.00 0.00 C ATOM 548 O TYR A 34 -18.854 -7.402 10.441 1.00 0.00 O ATOM 549 CB TYR A 34 -16.571 -5.683 12.189 1.00 0.00 C ATOM 550 CG TYR A 34 -17.792 -5.414 13.039 1.00 0.00 C ATOM 551 CD1 TYR A 34 -18.079 -6.208 14.143 1.00 0.00 C ATOM 552 CD2 TYR A 34 -18.652 -4.363 12.746 1.00 0.00 C ATOM 553 CE1 TYR A 34 -19.186 -5.964 14.929 1.00 0.00 C ATOM 554 CE2 TYR A 34 -19.765 -4.114 13.527 1.00 0.00 C ATOM 555 CZ TYR A 34 -20.026 -4.917 14.617 1.00 0.00 C ATOM 556 OH TYR A 34 -21.127 -4.669 15.405 1.00 0.00 O ATOM 0 H TYR A 34 -14.686 -6.507 10.839 1.00 0.00 H new ATOM 0 HA TYR A 34 -16.910 -7.789 11.997 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -15.699 -5.760 12.838 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -16.404 -4.830 11.531 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -17.424 -7.030 14.390 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -18.448 -3.731 11.895 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -19.393 -6.590 15.784 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -20.426 -3.295 13.285 1.00 0.00 H new ATOM 0 HH TYR A 34 -21.615 -3.896 15.051 1.00 0.00 H new ATOM 566 N LEU A 35 -17.516 -6.049 9.254 1.00 0.00 N ATOM 567 CA LEU A 35 -18.477 -5.876 8.173 1.00 0.00 C ATOM 568 C LEU A 35 -18.469 -7.096 7.260 1.00 0.00 C ATOM 569 O LEU A 35 -19.418 -7.338 6.523 1.00 0.00 O ATOM 570 CB LEU A 35 -18.168 -4.606 7.377 1.00 0.00 C ATOM 571 CG LEU A 35 -18.193 -3.310 8.192 1.00 0.00 C ATOM 572 CD1 LEU A 35 -17.894 -2.112 7.303 1.00 0.00 C ATOM 573 CD2 LEU A 35 -19.536 -3.138 8.889 1.00 0.00 C ATOM 0 H LEU A 35 -16.642 -5.539 9.128 1.00 0.00 H new ATOM 0 HA LEU A 35 -19.472 -5.773 8.606 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -17.184 -4.712 6.921 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -18.889 -4.520 6.564 1.00 0.00 H new ATOM 0 HG LEU A 35 -17.418 -3.372 8.956 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -17.916 -1.201 7.901 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -16.907 -2.228 6.856 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -18.644 -2.047 6.515 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -19.532 -2.211 9.462 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -20.331 -3.100 8.144 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -19.708 -3.979 9.560 1.00 0.00 H new ATOM 585 N ASN A 36 -17.392 -7.867 7.326 1.00 0.00 N ATOM 586 CA ASN A 36 -17.289 -9.120 6.583 1.00 0.00 C ATOM 587 C ASN A 36 -18.314 -10.121 7.101 1.00 0.00 C ATOM 588 O ASN A 36 -18.781 -10.995 6.370 1.00 0.00 O ATOM 589 CB ASN A 36 -15.868 -9.682 6.708 1.00 0.00 C ATOM 590 CG ASN A 36 -15.645 -10.961 5.924 1.00 0.00 C ATOM 591 OD1 ASN A 36 -15.303 -10.928 4.743 1.00 0.00 O ATOM 592 ND2 ASN A 36 -15.817 -12.096 6.579 1.00 0.00 N ATOM 0 H ASN A 36 -16.571 -7.646 7.890 1.00 0.00 H new ATOM 0 HA ASN A 36 -17.497 -8.932 5.530 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -15.158 -8.929 6.366 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -15.652 -9.869 7.760 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -15.665 -12.986 6.105 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -16.101 -12.082 7.558 1.00 0.00 H new ATOM 599 N GLU A 37 -18.666 -9.981 8.373 1.00 0.00 N ATOM 600 CA GLU A 37 -19.690 -10.818 8.983 1.00 0.00 C ATOM 601 C GLU A 37 -21.074 -10.178 8.845 1.00 0.00 C ATOM 602 O GLU A 37 -22.041 -10.627 9.462 1.00 0.00 O ATOM 603 CB GLU A 37 -19.373 -11.051 10.461 1.00 0.00 C ATOM 604 CG GLU A 37 -17.995 -11.644 10.707 1.00 0.00 C ATOM 605 CD GLU A 37 -17.768 -12.934 9.949 1.00 0.00 C ATOM 606 OE1 GLU A 37 -18.334 -13.974 10.346 1.00 0.00 O ATOM 607 OE2 GLU A 37 -17.001 -12.920 8.961 1.00 0.00 O ATOM 0 H GLU A 37 -18.255 -9.293 9.004 1.00 0.00 H new ATOM 0 HA GLU A 37 -19.697 -11.775 8.462 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -19.451 -10.103 10.993 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -20.125 -11.717 10.884 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -17.235 -10.919 10.416 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -17.869 -11.828 11.774 1.00 0.00 H new ATOM 614 N ASN A 38 -21.160 -9.128 8.035 1.00 0.00 N ATOM 615 CA ASN A 38 -22.417 -8.414 7.820 1.00 0.00 C ATOM 616 C ASN A 38 -22.622 -8.135 6.332 1.00 0.00 C ATOM 617 O ASN A 38 -22.104 -7.157 5.797 1.00 0.00 O ATOM 618 CB ASN A 38 -22.436 -7.106 8.617 1.00 0.00 C ATOM 619 CG ASN A 38 -22.624 -7.330 10.110 1.00 0.00 C ATOM 620 OD1 ASN A 38 -23.752 -7.401 10.597 1.00 0.00 O ATOM 621 ND2 ASN A 38 -21.529 -7.439 10.847 1.00 0.00 N ATOM 0 H ASN A 38 -20.370 -8.750 7.513 1.00 0.00 H new ATOM 0 HA ASN A 38 -23.235 -9.042 8.172 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -21.502 -6.570 8.449 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -23.240 -6.471 8.245 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -21.604 -7.587 11.853 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -20.610 -7.375 10.408 1.00 0.00 H new ATOM 628 N PRO A 39 -23.407 -8.988 5.650 1.00 0.00 N ATOM 629 CA PRO A 39 -23.536 -8.988 4.179 1.00 0.00 C ATOM 630 C PRO A 39 -24.319 -7.800 3.598 1.00 0.00 C ATOM 631 O PRO A 39 -24.908 -7.915 2.522 1.00 0.00 O ATOM 632 CB PRO A 39 -24.283 -10.301 3.882 1.00 0.00 C ATOM 633 CG PRO A 39 -24.287 -11.067 5.164 1.00 0.00 C ATOM 634 CD PRO A 39 -24.230 -10.043 6.254 1.00 0.00 C ATOM 0 HA PRO A 39 -22.552 -8.901 3.718 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -25.299 -10.104 3.541 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -23.786 -10.864 3.092 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -25.184 -11.680 5.250 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -23.433 -11.743 5.218 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -25.222 -9.681 6.524 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -23.778 -10.441 7.163 1.00 0.00 H new ATOM 642 N TYR A 40 -24.311 -6.661 4.278 1.00 0.00 N ATOM 643 CA TYR A 40 -24.945 -5.468 3.730 1.00 0.00 C ATOM 644 C TYR A 40 -23.906 -4.403 3.388 1.00 0.00 C ATOM 645 O TYR A 40 -24.247 -3.265 3.052 1.00 0.00 O ATOM 646 CB TYR A 40 -26.036 -4.913 4.660 1.00 0.00 C ATOM 647 CG TYR A 40 -25.709 -4.929 6.132 1.00 0.00 C ATOM 648 CD1 TYR A 40 -25.005 -3.891 6.719 1.00 0.00 C ATOM 649 CD2 TYR A 40 -26.133 -5.975 6.936 1.00 0.00 C ATOM 650 CE1 TYR A 40 -24.722 -3.897 8.070 1.00 0.00 C ATOM 651 CE2 TYR A 40 -25.859 -5.989 8.290 1.00 0.00 C ATOM 652 CZ TYR A 40 -25.153 -4.947 8.851 1.00 0.00 C ATOM 653 OH TYR A 40 -24.878 -4.954 10.200 1.00 0.00 O ATOM 0 H TYR A 40 -23.881 -6.537 5.194 1.00 0.00 H new ATOM 0 HA TYR A 40 -25.441 -5.762 2.805 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -26.251 -3.886 4.365 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -26.949 -5.488 4.503 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -24.672 -3.064 6.110 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -26.686 -6.792 6.497 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -24.166 -3.083 8.512 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -26.196 -6.811 8.904 1.00 0.00 H new ATOM 0 HH TYR A 40 -24.672 -5.868 10.487 1.00 0.00 H new ATOM 663 N PHE A 41 -22.639 -4.793 3.447 1.00 0.00 N ATOM 664 CA PHE A 41 -21.547 -3.953 2.988 1.00 0.00 C ATOM 665 C PHE A 41 -20.744 -4.701 1.938 1.00 0.00 C ATOM 666 O PHE A 41 -20.542 -5.908 2.058 1.00 0.00 O ATOM 667 CB PHE A 41 -20.615 -3.571 4.144 1.00 0.00 C ATOM 668 CG PHE A 41 -21.104 -2.439 5.000 1.00 0.00 C ATOM 669 CD1 PHE A 41 -21.899 -2.678 6.107 1.00 0.00 C ATOM 670 CD2 PHE A 41 -20.747 -1.133 4.707 1.00 0.00 C ATOM 671 CE1 PHE A 41 -22.336 -1.635 6.902 1.00 0.00 C ATOM 672 CE2 PHE A 41 -21.178 -0.087 5.499 1.00 0.00 C ATOM 673 CZ PHE A 41 -21.973 -0.338 6.597 1.00 0.00 C ATOM 0 H PHE A 41 -22.343 -5.698 3.813 1.00 0.00 H new ATOM 0 HA PHE A 41 -21.973 -3.042 2.568 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -20.465 -4.447 4.775 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -19.641 -3.303 3.734 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -22.181 -3.691 6.353 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -20.124 -0.930 3.849 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -22.960 -1.834 7.760 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -20.893 0.926 5.259 1.00 0.00 H new ATOM 0 HZ PHE A 41 -22.311 0.478 7.218 1.00 0.00 H new ATOM 683 N ILE A 42 -20.301 -4.006 0.905 1.00 0.00 N ATOM 684 CA ILE A 42 -19.374 -4.607 -0.034 1.00 0.00 C ATOM 685 C ILE A 42 -17.960 -4.188 0.342 1.00 0.00 C ATOM 686 O ILE A 42 -17.672 -3.003 0.533 1.00 0.00 O ATOM 687 CB ILE A 42 -19.680 -4.250 -1.512 1.00 0.00 C ATOM 688 CG1 ILE A 42 -18.829 -5.112 -2.450 1.00 0.00 C ATOM 689 CG2 ILE A 42 -19.440 -2.772 -1.787 1.00 0.00 C ATOM 690 CD1 ILE A 42 -19.137 -4.901 -3.919 1.00 0.00 C ATOM 0 H ILE A 42 -20.563 -3.042 0.698 1.00 0.00 H new ATOM 0 HA ILE A 42 -19.483 -5.689 0.035 1.00 0.00 H new ATOM 0 HB ILE A 42 -20.734 -4.456 -1.697 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -17.776 -4.894 -2.274 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -18.983 -6.162 -2.203 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -19.664 -2.555 -2.832 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -20.086 -2.173 -1.146 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -18.398 -2.528 -1.581 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -18.496 -5.545 -4.521 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -20.181 -5.147 -4.111 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -18.956 -3.859 -4.183 1.00 0.00 H new ATOM 702 N LEU A 43 -17.096 -5.167 0.504 1.00 0.00 N ATOM 703 CA LEU A 43 -15.749 -4.922 0.979 1.00 0.00 C ATOM 704 C LEU A 43 -14.754 -5.029 -0.159 1.00 0.00 C ATOM 705 O LEU A 43 -14.428 -6.122 -0.623 1.00 0.00 O ATOM 706 CB LEU A 43 -15.425 -5.907 2.098 1.00 0.00 C ATOM 707 CG LEU A 43 -16.298 -5.737 3.340 1.00 0.00 C ATOM 708 CD1 LEU A 43 -16.444 -7.049 4.083 1.00 0.00 C ATOM 709 CD2 LEU A 43 -15.718 -4.670 4.256 1.00 0.00 C ATOM 0 H LEU A 43 -17.304 -6.147 0.312 1.00 0.00 H new ATOM 0 HA LEU A 43 -15.680 -3.909 1.374 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -15.541 -6.923 1.720 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -14.379 -5.790 2.381 1.00 0.00 H new ATOM 0 HG LEU A 43 -17.289 -5.418 3.017 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -17.070 -6.901 4.963 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -16.907 -7.788 3.429 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -15.461 -7.403 4.392 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -16.352 -4.562 5.136 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -14.715 -4.963 4.566 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -15.671 -3.720 3.724 1.00 0.00 H new ATOM 721 N THR A 44 -14.297 -3.882 -0.619 1.00 0.00 N ATOM 722 CA THR A 44 -13.385 -3.817 -1.738 1.00 0.00 C ATOM 723 C THR A 44 -11.979 -3.472 -1.259 1.00 0.00 C ATOM 724 O THR A 44 -11.778 -2.478 -0.558 1.00 0.00 O ATOM 725 CB THR A 44 -13.865 -2.760 -2.751 1.00 0.00 C ATOM 726 OG1 THR A 44 -15.263 -2.951 -3.012 1.00 0.00 O ATOM 727 CG2 THR A 44 -13.089 -2.858 -4.055 1.00 0.00 C ATOM 0 H THR A 44 -14.547 -2.974 -0.228 1.00 0.00 H new ATOM 0 HA THR A 44 -13.362 -4.793 -2.223 1.00 0.00 H new ATOM 0 HB THR A 44 -13.695 -1.772 -2.324 1.00 0.00 H new ATOM 0 HG1 THR A 44 -15.571 -2.278 -3.655 1.00 0.00 H new ATOM 0 HG21 THR A 44 -13.449 -2.100 -4.751 1.00 0.00 H new ATOM 0 HG22 THR A 44 -12.029 -2.697 -3.860 1.00 0.00 H new ATOM 0 HG23 THR A 44 -13.232 -3.847 -4.490 1.00 0.00 H new ATOM 877 N PRO A 54 -0.112 11.893 -4.032 1.00 0.00 N ATOM 878 CA PRO A 54 1.018 12.387 -3.251 1.00 0.00 C ATOM 879 C PRO A 54 0.603 13.343 -2.134 1.00 0.00 C ATOM 880 O PRO A 54 -0.546 13.776 -2.080 1.00 0.00 O ATOM 881 CB PRO A 54 1.840 13.121 -4.305 1.00 0.00 C ATOM 882 CG PRO A 54 0.830 13.662 -5.264 1.00 0.00 C ATOM 883 CD PRO A 54 -0.370 12.744 -5.207 1.00 0.00 C ATOM 0 HA PRO A 54 1.546 11.585 -2.735 1.00 0.00 H new ATOM 0 HB2 PRO A 54 2.432 13.921 -3.860 1.00 0.00 H new ATOM 0 HB3 PRO A 54 2.538 12.448 -4.803 1.00 0.00 H new ATOM 0 HG2 PRO A 54 0.550 14.680 -4.995 1.00 0.00 H new ATOM 0 HG3 PRO A 54 1.239 13.700 -6.274 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -1.298 13.306 -5.097 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -0.463 12.151 -6.117 1.00 0.00 H new ATOM 891 N ILE A 55 1.566 13.647 -1.244 1.00 0.00 N ATOM 892 CA ILE A 55 1.401 14.602 -0.127 1.00 0.00 C ATOM 893 C ILE A 55 0.165 14.271 0.728 1.00 0.00 C ATOM 894 O ILE A 55 -0.378 15.117 1.438 1.00 0.00 O ATOM 895 CB ILE A 55 1.372 16.081 -0.628 1.00 0.00 C ATOM 896 CG1 ILE A 55 1.759 17.033 0.504 1.00 0.00 C ATOM 897 CG2 ILE A 55 0.017 16.481 -1.201 1.00 0.00 C ATOM 898 CD1 ILE A 55 3.132 16.761 1.084 1.00 0.00 C ATOM 0 H ILE A 55 2.496 13.230 -1.280 1.00 0.00 H new ATOM 0 HA ILE A 55 2.276 14.496 0.514 1.00 0.00 H new ATOM 0 HB ILE A 55 2.100 16.154 -1.436 1.00 0.00 H new ATOM 0 HG12 ILE A 55 1.727 18.057 0.133 1.00 0.00 H new ATOM 0 HG13 ILE A 55 1.017 16.959 1.299 1.00 0.00 H new ATOM 0 HG21 ILE A 55 0.054 17.518 -1.534 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -0.225 15.837 -2.047 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -0.749 16.374 -0.433 1.00 0.00 H new ATOM 0 HD11 ILE A 55 3.338 17.475 1.882 1.00 0.00 H new ATOM 0 HD12 ILE A 55 3.163 15.748 1.486 1.00 0.00 H new ATOM 0 HD13 ILE A 55 3.884 16.864 0.302 1.00 0.00 H new ATOM 910 N ASN A 56 -0.218 13.002 0.699 1.00 0.00 N ATOM 911 CA ASN A 56 -1.422 12.530 1.374 1.00 0.00 C ATOM 912 C ASN A 56 -1.311 11.038 1.653 1.00 0.00 C ATOM 913 O ASN A 56 -1.626 10.213 0.798 1.00 0.00 O ATOM 914 CB ASN A 56 -2.662 12.795 0.515 1.00 0.00 C ATOM 915 CG ASN A 56 -3.940 12.273 1.150 1.00 0.00 C ATOM 916 OD1 ASN A 56 -4.112 12.318 2.371 1.00 0.00 O ATOM 917 ND2 ASN A 56 -4.833 11.738 0.330 1.00 0.00 N ATOM 0 H ASN A 56 0.296 12.270 0.208 1.00 0.00 H new ATOM 0 HA ASN A 56 -1.521 13.072 2.315 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -2.758 13.867 0.344 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -2.529 12.328 -0.461 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -5.697 11.345 0.703 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -4.656 11.719 -0.674 1.00 0.00 H new ATOM 924 N TYR A 57 -0.822 10.691 2.831 1.00 0.00 N ATOM 925 CA TYR A 57 -0.651 9.293 3.199 1.00 0.00 C ATOM 926 C TYR A 57 -0.978 9.103 4.668 1.00 0.00 C ATOM 927 O TYR A 57 -0.978 10.064 5.439 1.00 0.00 O ATOM 928 CB TYR A 57 0.787 8.827 2.935 1.00 0.00 C ATOM 929 CG TYR A 57 1.232 8.978 1.498 1.00 0.00 C ATOM 930 CD1 TYR A 57 1.803 10.163 1.052 1.00 0.00 C ATOM 931 CD2 TYR A 57 1.071 7.942 0.586 1.00 0.00 C ATOM 932 CE1 TYR A 57 2.203 10.310 -0.258 1.00 0.00 C ATOM 933 CE2 TYR A 57 1.473 8.082 -0.728 1.00 0.00 C ATOM 934 CZ TYR A 57 2.036 9.269 -1.144 1.00 0.00 C ATOM 935 OH TYR A 57 2.433 9.419 -2.452 1.00 0.00 O ATOM 0 H TYR A 57 -0.536 11.356 3.550 1.00 0.00 H new ATOM 0 HA TYR A 57 -1.329 8.696 2.589 1.00 0.00 H new ATOM 0 HB2 TYR A 57 1.464 9.393 3.575 1.00 0.00 H new ATOM 0 HB3 TYR A 57 0.877 7.780 3.224 1.00 0.00 H new ATOM 0 HD1 TYR A 57 1.936 10.982 1.743 1.00 0.00 H new ATOM 0 HD2 TYR A 57 0.625 7.013 0.910 1.00 0.00 H new ATOM 0 HE1 TYR A 57 2.646 11.238 -0.589 1.00 0.00 H new ATOM 0 HE2 TYR A 57 1.347 7.267 -1.425 1.00 0.00 H new ATOM 0 HH TYR A 57 2.248 8.594 -2.947 1.00 0.00 H new ATOM 945 N THR A 58 -1.267 7.871 5.051 1.00 0.00 N ATOM 946 CA THR A 58 -1.490 7.550 6.446 1.00 0.00 C ATOM 947 C THR A 58 -0.196 7.689 7.225 1.00 0.00 C ATOM 948 O THR A 58 0.876 7.436 6.689 1.00 0.00 O ATOM 949 CB THR A 58 -2.045 6.123 6.606 1.00 0.00 C ATOM 950 OG1 THR A 58 -3.009 5.865 5.580 1.00 0.00 O ATOM 951 CG2 THR A 58 -2.699 5.940 7.967 1.00 0.00 C ATOM 0 H THR A 58 -1.352 7.079 4.414 1.00 0.00 H new ATOM 0 HA THR A 58 -2.227 8.250 6.840 1.00 0.00 H new ATOM 0 HB THR A 58 -1.214 5.422 6.523 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.816 5.001 5.160 1.00 0.00 H new ATOM 0 HG21 THR A 58 -3.082 4.923 8.053 1.00 0.00 H new ATOM 0 HG22 THR A 58 -1.963 6.118 8.751 1.00 0.00 H new ATOM 0 HG23 THR A 58 -3.521 6.648 8.074 1.00 0.00 H new ATOM 959 N GLU A 59 -0.292 8.133 8.471 1.00 0.00 N ATOM 960 CA GLU A 59 0.858 8.136 9.362 1.00 0.00 C ATOM 961 C GLU A 59 1.416 6.722 9.463 1.00 0.00 C ATOM 962 O GLU A 59 2.622 6.526 9.594 1.00 0.00 O ATOM 963 CB GLU A 59 0.459 8.717 10.727 1.00 0.00 C ATOM 964 CG GLU A 59 1.361 8.339 11.893 1.00 0.00 C ATOM 965 CD GLU A 59 0.896 7.082 12.603 1.00 0.00 C ATOM 966 OE1 GLU A 59 -0.299 7.004 12.954 1.00 0.00 O ATOM 967 OE2 GLU A 59 1.720 6.169 12.806 1.00 0.00 O ATOM 0 H GLU A 59 -1.151 8.494 8.886 1.00 0.00 H new ATOM 0 HA GLU A 59 1.648 8.774 8.966 1.00 0.00 H new ATOM 0 HB2 GLU A 59 0.436 9.804 10.646 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -0.556 8.393 10.957 1.00 0.00 H new ATOM 0 HG2 GLU A 59 2.378 8.192 11.529 1.00 0.00 H new ATOM 0 HG3 GLU A 59 1.394 9.164 12.605 1.00 0.00 H new ATOM 974 N SER A 60 0.525 5.740 9.352 1.00 0.00 N ATOM 975 CA SER A 60 0.923 4.346 9.263 1.00 0.00 C ATOM 976 C SER A 60 1.808 4.120 8.036 1.00 0.00 C ATOM 977 O SER A 60 2.789 3.380 8.100 1.00 0.00 O ATOM 978 CB SER A 60 -0.318 3.456 9.186 1.00 0.00 C ATOM 979 OG SER A 60 -1.232 3.764 10.226 1.00 0.00 O ATOM 0 H SER A 60 -0.483 5.890 9.322 1.00 0.00 H new ATOM 0 HA SER A 60 1.494 4.087 10.154 1.00 0.00 H new ATOM 0 HB2 SER A 60 -0.804 3.587 8.219 1.00 0.00 H new ATOM 0 HB3 SER A 60 -0.023 2.409 9.255 1.00 0.00 H new ATOM 0 HG SER A 60 -2.018 3.183 10.154 1.00 0.00 H new ATOM 985 N GLU A 61 1.481 4.785 6.923 1.00 0.00 N ATOM 986 CA GLU A 61 2.262 4.606 5.699 1.00 0.00 C ATOM 987 C GLU A 61 3.506 5.494 5.702 1.00 0.00 C ATOM 988 O GLU A 61 4.567 5.099 5.220 1.00 0.00 O ATOM 989 CB GLU A 61 1.424 4.893 4.447 1.00 0.00 C ATOM 990 CG GLU A 61 0.570 3.718 3.983 1.00 0.00 C ATOM 991 CD GLU A 61 -0.627 3.457 4.871 1.00 0.00 C ATOM 992 OE1 GLU A 61 -0.474 2.790 5.916 1.00 0.00 O ATOM 993 OE2 GLU A 61 -1.731 3.917 4.526 1.00 0.00 O ATOM 0 H GLU A 61 0.700 5.436 6.845 1.00 0.00 H new ATOM 0 HA GLU A 61 2.574 3.562 5.673 1.00 0.00 H new ATOM 0 HB2 GLU A 61 0.773 5.744 4.647 1.00 0.00 H new ATOM 0 HB3 GLU A 61 2.091 5.185 3.636 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.225 3.909 2.967 1.00 0.00 H new ATOM 0 HG3 GLU A 61 1.188 2.821 3.947 1.00 0.00 H new ATOM 1000 N LEU A 62 3.370 6.692 6.256 1.00 0.00 N ATOM 1001 CA LEU A 62 4.462 7.659 6.296 1.00 0.00 C ATOM 1002 C LEU A 62 5.530 7.250 7.301 1.00 0.00 C ATOM 1003 O LEU A 62 6.653 7.759 7.263 1.00 0.00 O ATOM 1004 CB LEU A 62 3.922 9.051 6.630 1.00 0.00 C ATOM 1005 CG LEU A 62 3.057 9.678 5.536 1.00 0.00 C ATOM 1006 CD1 LEU A 62 2.463 10.994 6.009 1.00 0.00 C ATOM 1007 CD2 LEU A 62 3.877 9.886 4.273 1.00 0.00 C ATOM 0 H LEU A 62 2.506 7.020 6.688 1.00 0.00 H new ATOM 0 HA LEU A 62 4.925 7.684 5.310 1.00 0.00 H new ATOM 0 HB2 LEU A 62 3.336 8.989 7.547 1.00 0.00 H new ATOM 0 HB3 LEU A 62 4.763 9.713 6.834 1.00 0.00 H new ATOM 0 HG LEU A 62 2.236 8.997 5.311 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.851 11.423 5.215 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.845 10.819 6.889 1.00 0.00 H new ATOM 0 HD13 LEU A 62 3.266 11.686 6.262 1.00 0.00 H new ATOM 0 HD21 LEU A 62 3.250 10.333 3.502 1.00 0.00 H new ATOM 0 HD22 LEU A 62 4.715 10.549 4.488 1.00 0.00 H new ATOM 0 HD23 LEU A 62 4.255 8.926 3.922 1.00 0.00 H new ATOM 1019 N LYS A 63 5.170 6.337 8.195 1.00 0.00 N ATOM 1020 CA LYS A 63 6.107 5.797 9.173 1.00 0.00 C ATOM 1021 C LYS A 63 7.230 5.043 8.474 1.00 0.00 C ATOM 1022 O LYS A 63 8.383 5.090 8.899 1.00 0.00 O ATOM 1023 CB LYS A 63 5.381 4.860 10.147 1.00 0.00 C ATOM 1024 CG LYS A 63 5.457 5.302 11.600 1.00 0.00 C ATOM 1025 CD LYS A 63 4.865 6.687 11.788 1.00 0.00 C ATOM 1026 CE LYS A 63 4.918 7.140 13.237 1.00 0.00 C ATOM 1027 NZ LYS A 63 4.013 6.350 14.110 1.00 0.00 N ATOM 0 H LYS A 63 4.228 5.952 8.263 1.00 0.00 H new ATOM 0 HA LYS A 63 6.535 6.629 9.733 1.00 0.00 H new ATOM 0 HB2 LYS A 63 4.334 4.788 9.854 1.00 0.00 H new ATOM 0 HB3 LYS A 63 5.806 3.860 10.059 1.00 0.00 H new ATOM 0 HG2 LYS A 63 4.924 4.588 12.228 1.00 0.00 H new ATOM 0 HG3 LYS A 63 6.496 5.301 11.929 1.00 0.00 H new ATOM 0 HD2 LYS A 63 5.407 7.400 11.166 1.00 0.00 H new ATOM 0 HD3 LYS A 63 3.830 6.688 11.446 1.00 0.00 H new ATOM 0 HE2 LYS A 63 5.940 7.053 13.605 1.00 0.00 H new ATOM 0 HE3 LYS A 63 4.646 8.194 13.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 3.645 6.958 14.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 3.221 5.982 13.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 4.539 5.556 14.527 1.00 0.00 H new ATOM 1041 N GLY A 64 6.886 4.367 7.385 1.00 0.00 N ATOM 1042 CA GLY A 64 7.854 3.554 6.685 1.00 0.00 C ATOM 1043 C GLY A 64 8.094 4.011 5.261 1.00 0.00 C ATOM 1044 O GLY A 64 8.230 5.214 4.996 1.00 0.00 O ATOM 0 H GLY A 64 5.952 4.369 6.976 1.00 0.00 H new ATOM 0 HA2 GLY A 64 8.798 3.573 7.230 1.00 0.00 H new ATOM 0 HA3 GLY A 64 7.512 2.519 6.676 1.00 0.00 H new ATOM 1048 N MET A 65 8.127 3.040 4.347 1.00 0.00 N ATOM 1049 CA MET A 65 8.474 3.279 2.946 1.00 0.00 C ATOM 1050 C MET A 65 9.901 3.816 2.842 1.00 0.00 C ATOM 1051 O MET A 65 10.672 3.740 3.802 1.00 0.00 O ATOM 1052 CB MET A 65 7.478 4.236 2.275 1.00 0.00 C ATOM 1053 CG MET A 65 6.071 3.666 2.161 1.00 0.00 C ATOM 1054 SD MET A 65 4.980 4.674 1.132 1.00 0.00 S ATOM 1055 CE MET A 65 4.863 6.168 2.109 1.00 0.00 C ATOM 0 H MET A 65 7.914 2.065 4.558 1.00 0.00 H new ATOM 0 HA MET A 65 8.418 2.328 2.416 1.00 0.00 H new ATOM 0 HB2 MET A 65 7.440 5.165 2.843 1.00 0.00 H new ATOM 0 HB3 MET A 65 7.842 4.486 1.279 1.00 0.00 H new ATOM 0 HG2 MET A 65 6.125 2.660 1.745 1.00 0.00 H new ATOM 0 HG3 MET A 65 5.640 3.576 3.158 1.00 0.00 H new ATOM 0 HE1 MET A 65 3.814 6.404 2.288 1.00 0.00 H new ATOM 0 HE2 MET A 65 5.370 6.020 3.063 1.00 0.00 H new ATOM 0 HE3 MET A 65 5.334 6.992 1.572 1.00 0.00 H new ATOM 1065 N ASN A 66 10.263 4.328 1.679 1.00 0.00 N ATOM 1066 CA ASN A 66 11.595 4.875 1.474 1.00 0.00 C ATOM 1067 C ASN A 66 11.518 6.397 1.429 1.00 0.00 C ATOM 1068 O ASN A 66 10.437 6.965 1.246 1.00 0.00 O ATOM 1069 CB ASN A 66 12.197 4.316 0.179 1.00 0.00 C ATOM 1070 CG ASN A 66 13.627 4.763 -0.064 1.00 0.00 C ATOM 1071 OD1 ASN A 66 14.388 5.001 0.874 1.00 0.00 O ATOM 1072 ND2 ASN A 66 13.999 4.880 -1.329 1.00 0.00 N ATOM 0 H ASN A 66 9.655 4.377 0.862 1.00 0.00 H new ATOM 0 HA ASN A 66 12.243 4.584 2.301 1.00 0.00 H new ATOM 0 HB2 ASN A 66 12.166 3.227 0.213 1.00 0.00 H new ATOM 0 HB3 ASN A 66 11.579 4.626 -0.664 1.00 0.00 H new ATOM 0 HD21 ASN A 66 14.948 5.177 -1.556 1.00 0.00 H new ATOM 0 HD22 ASN A 66 13.337 4.673 -2.077 1.00 0.00 H new ATOM 1079 N LYS A 67 12.648 7.061 1.612 1.00 0.00 N ATOM 1080 CA LYS A 67 12.675 8.516 1.641 1.00 0.00 C ATOM 1081 C LYS A 67 12.396 9.087 0.260 1.00 0.00 C ATOM 1082 O LYS A 67 11.764 10.133 0.142 1.00 0.00 O ATOM 1083 CB LYS A 67 14.017 9.048 2.157 1.00 0.00 C ATOM 1084 CG LYS A 67 14.293 8.755 3.627 1.00 0.00 C ATOM 1085 CD LYS A 67 14.756 7.323 3.848 1.00 0.00 C ATOM 1086 CE LYS A 67 16.044 7.034 3.092 1.00 0.00 C ATOM 1087 NZ LYS A 67 16.537 5.654 3.334 1.00 0.00 N ATOM 0 H LYS A 67 13.557 6.618 1.743 1.00 0.00 H new ATOM 0 HA LYS A 67 11.893 8.838 2.329 1.00 0.00 H new ATOM 0 HB2 LYS A 67 14.819 8.617 1.557 1.00 0.00 H new ATOM 0 HB3 LYS A 67 14.049 10.127 2.003 1.00 0.00 H new ATOM 0 HG2 LYS A 67 15.054 9.443 3.997 1.00 0.00 H new ATOM 0 HG3 LYS A 67 13.389 8.937 4.208 1.00 0.00 H new ATOM 0 HD2 LYS A 67 14.910 7.149 4.913 1.00 0.00 H new ATOM 0 HD3 LYS A 67 13.978 6.633 3.522 1.00 0.00 H new ATOM 0 HE2 LYS A 67 15.877 7.177 2.024 1.00 0.00 H new ATOM 0 HE3 LYS A 67 16.809 7.750 3.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 17.416 5.501 2.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 16.722 5.524 4.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 15.819 4.969 3.023 1.00 0.00 H new ATOM 1101 N ALA A 68 12.845 8.372 -0.771 1.00 0.00 N ATOM 1102 CA ALA A 68 12.719 8.819 -2.159 1.00 0.00 C ATOM 1103 C ALA A 68 11.300 9.272 -2.498 1.00 0.00 C ATOM 1104 O ALA A 68 11.111 10.322 -3.122 1.00 0.00 O ATOM 1105 CB ALA A 68 13.157 7.712 -3.104 1.00 0.00 C ATOM 0 H ALA A 68 13.306 7.468 -0.669 1.00 0.00 H new ATOM 0 HA ALA A 68 13.370 9.684 -2.282 1.00 0.00 H new ATOM 0 HB1 ALA A 68 13.060 8.054 -4.134 1.00 0.00 H new ATOM 0 HB2 ALA A 68 14.197 7.453 -2.904 1.00 0.00 H new ATOM 0 HB3 ALA A 68 12.529 6.834 -2.952 1.00 0.00 H new ATOM 1111 N GLU A 69 10.311 8.479 -2.098 1.00 0.00 N ATOM 1112 CA GLU A 69 8.913 8.831 -2.314 1.00 0.00 C ATOM 1113 C GLU A 69 8.606 10.174 -1.665 1.00 0.00 C ATOM 1114 O GLU A 69 8.156 11.108 -2.327 1.00 0.00 O ATOM 1115 CB GLU A 69 7.970 7.765 -1.738 1.00 0.00 C ATOM 1116 CG GLU A 69 8.142 6.374 -2.329 1.00 0.00 C ATOM 1117 CD GLU A 69 9.317 5.623 -1.737 1.00 0.00 C ATOM 1118 OE1 GLU A 69 10.445 5.776 -2.251 1.00 0.00 O ATOM 1119 OE2 GLU A 69 9.117 4.880 -0.755 1.00 0.00 O ATOM 0 H GLU A 69 10.453 7.588 -1.622 1.00 0.00 H new ATOM 0 HA GLU A 69 8.751 8.892 -3.390 1.00 0.00 H new ATOM 0 HB2 GLU A 69 8.124 7.708 -0.660 1.00 0.00 H new ATOM 0 HB3 GLU A 69 6.941 8.087 -1.896 1.00 0.00 H new ATOM 0 HG2 GLU A 69 7.230 5.800 -2.165 1.00 0.00 H new ATOM 0 HG3 GLU A 69 8.276 6.457 -3.407 1.00 0.00 H new ATOM 1126 N HIS A 70 8.879 10.261 -0.363 1.00 0.00 N ATOM 1127 CA HIS A 70 8.610 11.464 0.414 1.00 0.00 C ATOM 1128 C HIS A 70 9.295 12.682 -0.207 1.00 0.00 C ATOM 1129 O HIS A 70 8.666 13.718 -0.396 1.00 0.00 O ATOM 1130 CB HIS A 70 9.085 11.287 1.863 1.00 0.00 C ATOM 1131 CG HIS A 70 8.591 10.033 2.531 1.00 0.00 C ATOM 1132 ND1 HIS A 70 7.254 9.747 2.716 1.00 0.00 N ATOM 1133 CD2 HIS A 70 9.272 8.986 3.063 1.00 0.00 C ATOM 1134 CE1 HIS A 70 7.137 8.581 3.331 1.00 0.00 C ATOM 1135 NE2 HIS A 70 8.343 8.100 3.553 1.00 0.00 N ATOM 0 H HIS A 70 9.291 9.501 0.178 1.00 0.00 H new ATOM 0 HA HIS A 70 7.533 11.629 0.409 1.00 0.00 H new ATOM 0 HB2 HIS A 70 10.175 11.286 1.878 1.00 0.00 H new ATOM 0 HB3 HIS A 70 8.759 12.148 2.447 1.00 0.00 H new ATOM 0 HD2 HIS A 70 10.345 8.871 3.095 1.00 0.00 H new ATOM 0 HE1 HIS A 70 6.208 8.104 3.605 1.00 0.00 H new ATOM 0 HE2 HIS A 70 8.553 7.214 4.013 1.00 0.00 H new ATOM 1144 N GLU A 71 10.574 12.531 -0.540 1.00 0.00 N ATOM 1145 CA GLU A 71 11.377 13.619 -1.096 1.00 0.00 C ATOM 1146 C GLU A 71 10.742 14.191 -2.357 1.00 0.00 C ATOM 1147 O GLU A 71 10.561 15.405 -2.472 1.00 0.00 O ATOM 1148 CB GLU A 71 12.786 13.126 -1.423 1.00 0.00 C ATOM 1149 CG GLU A 71 13.578 12.664 -0.212 1.00 0.00 C ATOM 1150 CD GLU A 71 14.924 12.087 -0.598 1.00 0.00 C ATOM 1151 OE1 GLU A 71 15.875 12.869 -0.802 1.00 0.00 O ATOM 1152 OE2 GLU A 71 15.032 10.849 -0.722 1.00 0.00 O ATOM 0 H GLU A 71 11.083 11.654 -0.433 1.00 0.00 H new ATOM 0 HA GLU A 71 11.427 14.406 -0.343 1.00 0.00 H new ATOM 0 HB2 GLU A 71 12.715 12.302 -2.133 1.00 0.00 H new ATOM 0 HB3 GLU A 71 13.334 13.928 -1.918 1.00 0.00 H new ATOM 0 HG2 GLU A 71 13.725 13.504 0.466 1.00 0.00 H new ATOM 0 HG3 GLU A 71 13.004 11.913 0.331 1.00 0.00 H new ATOM 1159 N SER A 72 10.403 13.310 -3.293 1.00 0.00 N ATOM 1160 CA SER A 72 9.809 13.713 -4.564 1.00 0.00 C ATOM 1161 C SER A 72 8.530 14.519 -4.335 1.00 0.00 C ATOM 1162 O SER A 72 8.254 15.499 -5.036 1.00 0.00 O ATOM 1163 CB SER A 72 9.511 12.472 -5.406 1.00 0.00 C ATOM 1164 OG SER A 72 10.664 11.651 -5.523 1.00 0.00 O ATOM 0 H SER A 72 10.531 12.303 -3.194 1.00 0.00 H new ATOM 0 HA SER A 72 10.517 14.348 -5.096 1.00 0.00 H new ATOM 0 HB2 SER A 72 8.700 11.904 -4.950 1.00 0.00 H new ATOM 0 HB3 SER A 72 9.172 12.773 -6.397 1.00 0.00 H new ATOM 0 HG SER A 72 10.766 11.113 -4.710 1.00 0.00 H new ATOM 1170 N ILE A 73 7.772 14.111 -3.330 1.00 0.00 N ATOM 1171 CA ILE A 73 6.525 14.769 -2.986 1.00 0.00 C ATOM 1172 C ILE A 73 6.749 16.230 -2.603 1.00 0.00 C ATOM 1173 O ILE A 73 6.222 17.135 -3.248 1.00 0.00 O ATOM 1174 CB ILE A 73 5.830 14.050 -1.816 1.00 0.00 C ATOM 1175 CG1 ILE A 73 5.498 12.610 -2.197 1.00 0.00 C ATOM 1176 CG2 ILE A 73 4.571 14.796 -1.412 1.00 0.00 C ATOM 1177 CD1 ILE A 73 5.075 11.763 -1.022 1.00 0.00 C ATOM 0 H ILE A 73 8.004 13.317 -2.733 1.00 0.00 H new ATOM 0 HA ILE A 73 5.891 14.727 -3.872 1.00 0.00 H new ATOM 0 HB ILE A 73 6.511 14.033 -0.965 1.00 0.00 H new ATOM 0 HG12 ILE A 73 4.700 12.613 -2.940 1.00 0.00 H new ATOM 0 HG13 ILE A 73 6.370 12.156 -2.668 1.00 0.00 H new ATOM 0 HG21 ILE A 73 4.090 14.276 -0.584 1.00 0.00 H new ATOM 0 HG22 ILE A 73 4.831 15.808 -1.103 1.00 0.00 H new ATOM 0 HG23 ILE A 73 3.887 14.840 -2.259 1.00 0.00 H new ATOM 0 HD11 ILE A 73 4.854 10.752 -1.363 1.00 0.00 H new ATOM 0 HD12 ILE A 73 5.880 11.730 -0.288 1.00 0.00 H new ATOM 0 HD13 ILE A 73 4.185 12.194 -0.564 1.00 0.00 H new ATOM 1189 N ILE A 74 7.542 16.452 -1.563 1.00 0.00 N ATOM 1190 CA ILE A 74 7.730 17.795 -1.025 1.00 0.00 C ATOM 1191 C ILE A 74 8.533 18.686 -1.966 1.00 0.00 C ATOM 1192 O ILE A 74 8.335 19.902 -1.991 1.00 0.00 O ATOM 1193 CB ILE A 74 8.382 17.794 0.371 1.00 0.00 C ATOM 1194 CG1 ILE A 74 8.895 16.403 0.752 1.00 0.00 C ATOM 1195 CG2 ILE A 74 7.377 18.303 1.386 1.00 0.00 C ATOM 1196 CD1 ILE A 74 9.506 16.323 2.138 1.00 0.00 C ATOM 0 H ILE A 74 8.064 15.723 -1.076 1.00 0.00 H new ATOM 0 HA ILE A 74 6.726 18.207 -0.927 1.00 0.00 H new ATOM 0 HB ILE A 74 9.249 18.455 0.357 1.00 0.00 H new ATOM 0 HG12 ILE A 74 8.069 15.694 0.690 1.00 0.00 H new ATOM 0 HG13 ILE A 74 9.640 16.090 0.020 1.00 0.00 H new ATOM 0 HG21 ILE A 74 7.830 18.306 2.377 1.00 0.00 H new ATOM 0 HG22 ILE A 74 7.075 19.317 1.122 1.00 0.00 H new ATOM 0 HG23 ILE A 74 6.502 17.653 1.389 1.00 0.00 H new ATOM 0 HD11 ILE A 74 9.844 15.304 2.328 1.00 0.00 H new ATOM 0 HD12 ILE A 74 10.354 17.005 2.202 1.00 0.00 H new ATOM 0 HD13 ILE A 74 8.759 16.603 2.881 1.00 0.00 H new ATOM 1208 N SER A 75 9.417 18.090 -2.759 1.00 0.00 N ATOM 1209 CA SER A 75 10.198 18.859 -3.721 1.00 0.00 C ATOM 1210 C SER A 75 9.297 19.425 -4.817 1.00 0.00 C ATOM 1211 O SER A 75 9.546 20.515 -5.341 1.00 0.00 O ATOM 1212 CB SER A 75 11.317 18.004 -4.320 1.00 0.00 C ATOM 1213 OG SER A 75 10.827 16.750 -4.755 1.00 0.00 O ATOM 0 H SER A 75 9.609 17.088 -2.756 1.00 0.00 H new ATOM 0 HA SER A 75 10.659 19.696 -3.196 1.00 0.00 H new ATOM 0 HB2 SER A 75 11.771 18.531 -5.159 1.00 0.00 H new ATOM 0 HB3 SER A 75 12.100 17.853 -3.577 1.00 0.00 H new ATOM 0 HG SER A 75 10.798 16.129 -3.997 1.00 0.00 H new ATOM 1219 N ASN A 76 8.244 18.687 -5.158 1.00 0.00 N ATOM 1220 CA ASN A 76 7.258 19.174 -6.119 1.00 0.00 C ATOM 1221 C ASN A 76 6.172 19.989 -5.421 1.00 0.00 C ATOM 1222 O ASN A 76 5.445 20.753 -6.060 1.00 0.00 O ATOM 1223 CB ASN A 76 6.633 18.014 -6.901 1.00 0.00 C ATOM 1224 CG ASN A 76 7.560 17.476 -7.974 1.00 0.00 C ATOM 1225 OD1 ASN A 76 7.561 17.958 -9.105 1.00 0.00 O ATOM 1226 ND2 ASN A 76 8.356 16.478 -7.629 1.00 0.00 N ATOM 0 H ASN A 76 8.052 17.757 -4.787 1.00 0.00 H new ATOM 0 HA ASN A 76 7.776 19.823 -6.825 1.00 0.00 H new ATOM 0 HB2 ASN A 76 6.375 17.211 -6.211 1.00 0.00 H new ATOM 0 HB3 ASN A 76 5.704 18.349 -7.362 1.00 0.00 H new ATOM 0 HD21 ASN A 76 9.001 16.081 -8.312 1.00 0.00 H new ATOM 0 HD22 ASN A 76 8.325 16.106 -6.680 1.00 0.00 H new ATOM 1233 N LEU A 77 6.068 19.820 -4.105 1.00 0.00 N ATOM 1234 CA LEU A 77 5.132 20.601 -3.305 1.00 0.00 C ATOM 1235 C LEU A 77 5.630 22.032 -3.169 1.00 0.00 C ATOM 1236 O LEU A 77 4.849 22.986 -3.218 1.00 0.00 O ATOM 1237 CB LEU A 77 4.982 19.980 -1.907 1.00 0.00 C ATOM 1238 CG LEU A 77 4.040 20.722 -0.955 1.00 0.00 C ATOM 1239 CD1 LEU A 77 2.606 20.651 -1.454 1.00 0.00 C ATOM 1240 CD2 LEU A 77 4.150 20.148 0.448 1.00 0.00 C ATOM 0 H LEU A 77 6.621 19.149 -3.571 1.00 0.00 H new ATOM 0 HA LEU A 77 4.164 20.600 -3.805 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.625 18.956 -2.019 1.00 0.00 H new ATOM 0 HB3 LEU A 77 5.968 19.925 -1.445 1.00 0.00 H new ATOM 0 HG LEU A 77 4.335 21.771 -0.924 1.00 0.00 H new ATOM 0 HD11 LEU A 77 1.953 21.184 -0.763 1.00 0.00 H new ATOM 0 HD12 LEU A 77 2.541 21.109 -2.441 1.00 0.00 H new ATOM 0 HD13 LEU A 77 2.294 19.609 -1.516 1.00 0.00 H new ATOM 0 HD21 LEU A 77 3.475 20.685 1.115 1.00 0.00 H new ATOM 0 HD22 LEU A 77 3.880 19.092 0.431 1.00 0.00 H new ATOM 0 HD23 LEU A 77 5.174 20.255 0.806 1.00 0.00 H new ATOM 1252 N GLY A 78 6.939 22.176 -3.032 1.00 0.00 N ATOM 1253 CA GLY A 78 7.531 23.488 -2.890 1.00 0.00 C ATOM 1254 C GLY A 78 8.406 23.590 -1.662 1.00 0.00 C ATOM 1255 O GLY A 78 9.182 24.534 -1.516 1.00 0.00 O ATOM 0 H GLY A 78 7.604 21.403 -3.017 1.00 0.00 H new ATOM 0 HA2 GLY A 78 8.124 23.715 -3.776 1.00 0.00 H new ATOM 0 HA3 GLY A 78 6.741 24.237 -2.834 1.00 0.00 H new ATOM 1259 N ARG A 79 8.286 22.614 -0.773 1.00 0.00 N ATOM 1260 CA ARG A 79 9.075 22.607 0.445 1.00 0.00 C ATOM 1261 C ARG A 79 10.048 21.435 0.436 1.00 0.00 C ATOM 1262 O ARG A 79 9.782 20.384 1.009 1.00 0.00 O ATOM 1263 CB ARG A 79 8.180 22.536 1.680 1.00 0.00 C ATOM 1264 CG ARG A 79 8.896 22.931 2.960 1.00 0.00 C ATOM 1265 CD ARG A 79 8.351 24.235 3.521 1.00 0.00 C ATOM 1266 NE ARG A 79 8.404 25.327 2.548 1.00 0.00 N ATOM 1267 CZ ARG A 79 7.330 25.996 2.125 1.00 0.00 C ATOM 1268 NH1 ARG A 79 6.115 25.627 2.518 1.00 0.00 N ATOM 1269 NH2 ARG A 79 7.471 27.015 1.286 1.00 0.00 N ATOM 0 H ARG A 79 7.652 21.821 -0.874 1.00 0.00 H new ATOM 0 HA ARG A 79 9.639 23.539 0.487 1.00 0.00 H new ATOM 0 HB2 ARG A 79 7.320 23.190 1.536 1.00 0.00 H new ATOM 0 HB3 ARG A 79 7.795 21.521 1.784 1.00 0.00 H new ATOM 0 HG2 ARG A 79 8.783 22.139 3.701 1.00 0.00 H new ATOM 0 HG3 ARG A 79 9.963 23.035 2.764 1.00 0.00 H new ATOM 0 HD2 ARG A 79 7.320 24.087 3.841 1.00 0.00 H new ATOM 0 HD3 ARG A 79 8.922 24.513 4.407 1.00 0.00 H new ATOM 0 HE ARG A 79 9.314 25.592 2.172 1.00 0.00 H new ATOM 0 HH11 ARG A 79 6.002 24.830 3.145 1.00 0.00 H new ATOM 0 HH12 ARG A 79 5.296 26.141 2.193 1.00 0.00 H new ATOM 0 HH21 ARG A 79 8.400 27.286 0.965 1.00 0.00 H new ATOM 0 HH22 ARG A 79 6.650 27.527 0.962 1.00 0.00 H new ATOM 1283 N ASN A 80 11.147 21.628 -0.269 1.00 0.00 N ATOM 1284 CA ASN A 80 12.214 20.634 -0.372 1.00 0.00 C ATOM 1285 C ASN A 80 12.672 20.174 1.010 1.00 0.00 C ATOM 1286 O ASN A 80 12.796 20.982 1.932 1.00 0.00 O ATOM 1287 CB ASN A 80 13.415 21.207 -1.141 1.00 0.00 C ATOM 1288 CG ASN A 80 13.069 21.638 -2.555 1.00 0.00 C ATOM 1289 OD1 ASN A 80 12.164 21.090 -3.183 1.00 0.00 O ATOM 1290 ND2 ASN A 80 13.791 22.621 -3.069 1.00 0.00 N ATOM 0 H ASN A 80 11.332 22.484 -0.793 1.00 0.00 H new ATOM 0 HA ASN A 80 11.813 19.777 -0.914 1.00 0.00 H new ATOM 0 HB2 ASN A 80 13.814 22.062 -0.595 1.00 0.00 H new ATOM 0 HB3 ASN A 80 14.205 20.457 -1.180 1.00 0.00 H new ATOM 0 HD21 ASN A 80 13.605 22.949 -4.017 1.00 0.00 H new ATOM 0 HD22 ASN A 80 14.533 23.051 -2.517 1.00 0.00 H new ATOM 1297 N PRO A 81 12.936 18.868 1.164 1.00 0.00 N ATOM 1298 CA PRO A 81 13.350 18.282 2.445 1.00 0.00 C ATOM 1299 C PRO A 81 14.806 18.592 2.802 1.00 0.00 C ATOM 1300 O PRO A 81 15.581 17.696 3.134 1.00 0.00 O ATOM 1301 CB PRO A 81 13.161 16.782 2.217 1.00 0.00 C ATOM 1302 CG PRO A 81 13.328 16.590 0.750 1.00 0.00 C ATOM 1303 CD PRO A 81 12.839 17.854 0.097 1.00 0.00 C ATOM 0 HA PRO A 81 12.773 18.683 3.278 1.00 0.00 H new ATOM 0 HB2 PRO A 81 13.895 16.202 2.777 1.00 0.00 H new ATOM 0 HB3 PRO A 81 12.176 16.454 2.548 1.00 0.00 H new ATOM 0 HG2 PRO A 81 14.372 16.402 0.499 1.00 0.00 H new ATOM 0 HG3 PRO A 81 12.757 15.728 0.404 1.00 0.00 H new ATOM 0 HD2 PRO A 81 13.452 18.121 -0.764 1.00 0.00 H new ATOM 0 HD3 PRO A 81 11.815 17.748 -0.261 1.00 0.00 H new ATOM 1311 N SER A 82 15.169 19.866 2.747 1.00 0.00 N ATOM 1312 CA SER A 82 16.512 20.293 3.106 1.00 0.00 C ATOM 1313 C SER A 82 16.724 20.180 4.614 1.00 0.00 C ATOM 1314 O SER A 82 17.701 19.587 5.072 1.00 0.00 O ATOM 1315 CB SER A 82 16.746 21.729 2.639 1.00 0.00 C ATOM 1316 OG SER A 82 16.552 21.839 1.240 1.00 0.00 O ATOM 0 H SER A 82 14.550 20.623 2.456 1.00 0.00 H new ATOM 0 HA SER A 82 17.231 19.641 2.610 1.00 0.00 H new ATOM 0 HB2 SER A 82 16.064 22.402 3.160 1.00 0.00 H new ATOM 0 HB3 SER A 82 17.759 22.040 2.896 1.00 0.00 H new ATOM 0 HG SER A 82 16.705 22.766 0.960 1.00 0.00 H new ATOM 1322 N ASP A 83 15.802 20.749 5.380 1.00 0.00 N ATOM 1323 CA ASP A 83 15.866 20.676 6.834 1.00 0.00 C ATOM 1324 C ASP A 83 14.919 19.601 7.355 1.00 0.00 C ATOM 1325 O ASP A 83 14.898 19.294 8.551 1.00 0.00 O ATOM 1326 CB ASP A 83 15.539 22.036 7.458 1.00 0.00 C ATOM 1327 CG ASP A 83 14.145 22.527 7.128 1.00 0.00 C ATOM 1328 OD1 ASP A 83 13.803 22.601 5.930 1.00 0.00 O ATOM 1329 OD2 ASP A 83 13.399 22.885 8.065 1.00 0.00 O ATOM 0 H ASP A 83 15.001 21.266 5.018 1.00 0.00 H new ATOM 0 HA ASP A 83 16.882 20.407 7.122 1.00 0.00 H new ATOM 0 HB2 ASP A 83 15.645 21.966 8.541 1.00 0.00 H new ATOM 0 HB3 ASP A 83 16.267 22.771 7.113 1.00 0.00 H new ATOM 1334 N PHE A 84 14.135 19.033 6.448 1.00 0.00 N ATOM 1335 CA PHE A 84 13.284 17.898 6.776 1.00 0.00 C ATOM 1336 C PHE A 84 14.047 16.610 6.515 1.00 0.00 C ATOM 1337 O PHE A 84 14.291 16.239 5.368 1.00 0.00 O ATOM 1338 CB PHE A 84 11.992 17.926 5.956 1.00 0.00 C ATOM 1339 CG PHE A 84 11.133 19.124 6.233 1.00 0.00 C ATOM 1340 CD1 PHE A 84 10.325 19.166 7.359 1.00 0.00 C ATOM 1341 CD2 PHE A 84 11.132 20.208 5.372 1.00 0.00 C ATOM 1342 CE1 PHE A 84 9.534 20.268 7.619 1.00 0.00 C ATOM 1343 CE2 PHE A 84 10.343 21.311 5.626 1.00 0.00 C ATOM 1344 CZ PHE A 84 9.544 21.342 6.752 1.00 0.00 C ATOM 0 H PHE A 84 14.071 19.341 5.478 1.00 0.00 H new ATOM 0 HA PHE A 84 13.010 17.954 7.830 1.00 0.00 H new ATOM 0 HB2 PHE A 84 12.244 17.907 4.896 1.00 0.00 H new ATOM 0 HB3 PHE A 84 11.419 17.022 6.164 1.00 0.00 H new ATOM 0 HD1 PHE A 84 10.314 18.328 8.040 1.00 0.00 H new ATOM 0 HD2 PHE A 84 11.756 20.190 4.491 1.00 0.00 H new ATOM 0 HE1 PHE A 84 8.909 20.289 8.499 1.00 0.00 H new ATOM 0 HE2 PHE A 84 10.350 22.149 4.945 1.00 0.00 H new ATOM 0 HZ PHE A 84 8.928 22.206 6.954 1.00 0.00 H new ATOM 1354 N LYS A 85 14.419 15.940 7.587 1.00 0.00 N ATOM 1355 CA LYS A 85 15.300 14.786 7.505 1.00 0.00 C ATOM 1356 C LYS A 85 14.917 13.758 8.561 1.00 0.00 C ATOM 1357 O LYS A 85 14.933 12.552 8.312 1.00 0.00 O ATOM 1358 CB LYS A 85 16.739 15.262 7.710 1.00 0.00 C ATOM 1359 CG LYS A 85 17.793 14.173 7.659 1.00 0.00 C ATOM 1360 CD LYS A 85 19.164 14.763 7.932 1.00 0.00 C ATOM 1361 CE LYS A 85 20.249 13.705 7.999 1.00 0.00 C ATOM 1362 NZ LYS A 85 21.548 14.299 8.406 1.00 0.00 N ATOM 0 H LYS A 85 14.123 16.175 8.534 1.00 0.00 H new ATOM 0 HA LYS A 85 15.208 14.311 6.528 1.00 0.00 H new ATOM 0 HB2 LYS A 85 16.971 16.006 6.948 1.00 0.00 H new ATOM 0 HB3 LYS A 85 16.805 15.764 8.675 1.00 0.00 H new ATOM 0 HG2 LYS A 85 17.567 13.402 8.396 1.00 0.00 H new ATOM 0 HG3 LYS A 85 17.783 13.692 6.681 1.00 0.00 H new ATOM 0 HD2 LYS A 85 19.409 15.481 7.150 1.00 0.00 H new ATOM 0 HD3 LYS A 85 19.139 15.313 8.873 1.00 0.00 H new ATOM 0 HE2 LYS A 85 19.962 12.929 8.709 1.00 0.00 H new ATOM 0 HE3 LYS A 85 20.354 13.224 7.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 22.273 13.555 8.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 21.831 15.023 7.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 21.451 14.736 9.345 1.00 0.00 H new ATOM 1376 N ASN A 86 14.564 14.253 9.738 1.00 0.00 N ATOM 1377 CA ASN A 86 14.138 13.406 10.842 1.00 0.00 C ATOM 1378 C ASN A 86 12.809 12.726 10.515 1.00 0.00 C ATOM 1379 O ASN A 86 11.913 13.344 9.935 1.00 0.00 O ATOM 1380 CB ASN A 86 14.012 14.246 12.115 1.00 0.00 C ATOM 1381 CG ASN A 86 13.474 13.464 13.294 1.00 0.00 C ATOM 1382 OD1 ASN A 86 13.706 12.264 13.427 1.00 0.00 O ATOM 1383 ND2 ASN A 86 12.754 14.144 14.163 1.00 0.00 N ATOM 0 H ASN A 86 14.565 15.250 9.954 1.00 0.00 H new ATOM 0 HA ASN A 86 14.885 12.629 11.002 1.00 0.00 H new ATOM 0 HB2 ASN A 86 14.990 14.653 12.373 1.00 0.00 H new ATOM 0 HB3 ASN A 86 13.356 15.094 11.920 1.00 0.00 H new ATOM 0 HD21 ASN A 86 12.367 13.675 14.982 1.00 0.00 H new ATOM 0 HD22 ASN A 86 12.584 15.139 14.017 1.00 0.00 H new ATOM 1390 N ALA A 87 12.696 11.458 10.897 1.00 0.00 N ATOM 1391 CA ALA A 87 11.530 10.639 10.580 1.00 0.00 C ATOM 1392 C ALA A 87 10.213 11.299 10.989 1.00 0.00 C ATOM 1393 O ALA A 87 9.306 11.440 10.167 1.00 0.00 O ATOM 1394 CB ALA A 87 11.656 9.275 11.242 1.00 0.00 C ATOM 0 H ALA A 87 13.411 10.968 11.436 1.00 0.00 H new ATOM 0 HA ALA A 87 11.506 10.526 9.496 1.00 0.00 H new ATOM 0 HB1 ALA A 87 10.782 8.671 11.000 1.00 0.00 H new ATOM 0 HB2 ALA A 87 12.554 8.776 10.878 1.00 0.00 H new ATOM 0 HB3 ALA A 87 11.723 9.400 12.323 1.00 0.00 H new ATOM 1400 N ASP A 88 10.104 11.717 12.249 1.00 0.00 N ATOM 1401 CA ASP A 88 8.840 12.254 12.748 1.00 0.00 C ATOM 1402 C ASP A 88 8.577 13.664 12.219 1.00 0.00 C ATOM 1403 O ASP A 88 7.425 14.074 12.103 1.00 0.00 O ATOM 1404 CB ASP A 88 8.764 12.214 14.284 1.00 0.00 C ATOM 1405 CG ASP A 88 9.790 13.087 14.981 1.00 0.00 C ATOM 1406 OD1 ASP A 88 9.495 14.270 15.240 1.00 0.00 O ATOM 1407 OD2 ASP A 88 10.885 12.582 15.310 1.00 0.00 O ATOM 0 H ASP A 88 10.861 11.695 12.932 1.00 0.00 H new ATOM 0 HA ASP A 88 8.051 11.606 12.367 1.00 0.00 H new ATOM 0 HB2 ASP A 88 7.767 12.526 14.595 1.00 0.00 H new ATOM 0 HB3 ASP A 88 8.894 11.184 14.616 1.00 0.00 H new ATOM 1412 N GLU A 89 9.634 14.393 11.871 1.00 0.00 N ATOM 1413 CA GLU A 89 9.479 15.709 11.245 1.00 0.00 C ATOM 1414 C GLU A 89 8.932 15.552 9.832 1.00 0.00 C ATOM 1415 O GLU A 89 8.086 16.327 9.380 1.00 0.00 O ATOM 1416 CB GLU A 89 10.815 16.452 11.210 1.00 0.00 C ATOM 1417 CG GLU A 89 11.279 16.931 12.574 1.00 0.00 C ATOM 1418 CD GLU A 89 10.406 18.038 13.133 1.00 0.00 C ATOM 1419 OE1 GLU A 89 9.366 17.731 13.751 1.00 0.00 O ATOM 1420 OE2 GLU A 89 10.763 19.223 12.971 1.00 0.00 O ATOM 0 H GLU A 89 10.601 14.100 12.009 1.00 0.00 H new ATOM 0 HA GLU A 89 8.776 16.293 11.838 1.00 0.00 H new ATOM 0 HB2 GLU A 89 11.575 15.796 10.786 1.00 0.00 H new ATOM 0 HB3 GLU A 89 10.727 17.310 10.543 1.00 0.00 H new ATOM 0 HG2 GLU A 89 11.282 16.091 13.268 1.00 0.00 H new ATOM 0 HG3 GLU A 89 12.307 17.287 12.500 1.00 0.00 H new ATOM 1427 N ARG A 90 9.431 14.534 9.146 1.00 0.00 N ATOM 1428 CA ARG A 90 8.946 14.155 7.826 1.00 0.00 C ATOM 1429 C ARG A 90 7.434 13.924 7.859 1.00 0.00 C ATOM 1430 O ARG A 90 6.668 14.524 7.091 1.00 0.00 O ATOM 1431 CB ARG A 90 9.664 12.869 7.399 1.00 0.00 C ATOM 1432 CG ARG A 90 9.177 12.276 6.093 1.00 0.00 C ATOM 1433 CD ARG A 90 9.121 10.754 6.173 1.00 0.00 C ATOM 1434 NE ARG A 90 10.391 10.157 6.600 1.00 0.00 N ATOM 1435 CZ ARG A 90 10.501 8.945 7.164 1.00 0.00 C ATOM 1436 NH1 ARG A 90 9.420 8.210 7.408 1.00 0.00 N ATOM 1437 NH2 ARG A 90 11.695 8.478 7.499 1.00 0.00 N ATOM 0 H ARG A 90 10.188 13.944 9.491 1.00 0.00 H new ATOM 0 HA ARG A 90 9.151 14.955 7.114 1.00 0.00 H new ATOM 0 HB2 ARG A 90 10.731 13.076 7.313 1.00 0.00 H new ATOM 0 HB3 ARG A 90 9.546 12.125 8.187 1.00 0.00 H new ATOM 0 HG2 ARG A 90 8.188 12.668 5.858 1.00 0.00 H new ATOM 0 HG3 ARG A 90 9.841 12.577 5.282 1.00 0.00 H new ATOM 0 HD2 ARG A 90 8.335 10.461 6.869 1.00 0.00 H new ATOM 0 HD3 ARG A 90 8.847 10.354 5.197 1.00 0.00 H new ATOM 0 HE ARG A 90 11.244 10.698 6.459 1.00 0.00 H new ATOM 0 HH11 ARG A 90 8.496 8.567 7.166 1.00 0.00 H new ATOM 0 HH12 ARG A 90 9.515 7.290 7.837 1.00 0.00 H new ATOM 0 HH21 ARG A 90 12.529 9.040 7.328 1.00 0.00 H new ATOM 0 HH22 ARG A 90 11.780 7.557 7.928 1.00 0.00 H new ATOM 1451 N ILE A 91 7.021 13.055 8.773 1.00 0.00 N ATOM 1452 CA ILE A 91 5.618 12.710 8.946 1.00 0.00 C ATOM 1453 C ILE A 91 4.805 13.940 9.339 1.00 0.00 C ATOM 1454 O ILE A 91 3.716 14.165 8.812 1.00 0.00 O ATOM 1455 CB ILE A 91 5.461 11.614 10.023 1.00 0.00 C ATOM 1456 CG1 ILE A 91 6.221 10.358 9.604 1.00 0.00 C ATOM 1457 CG2 ILE A 91 3.993 11.286 10.252 1.00 0.00 C ATOM 1458 CD1 ILE A 91 6.569 9.449 10.759 1.00 0.00 C ATOM 0 H ILE A 91 7.649 12.571 9.414 1.00 0.00 H new ATOM 0 HA ILE A 91 5.243 12.331 7.995 1.00 0.00 H new ATOM 0 HB ILE A 91 5.877 11.988 10.958 1.00 0.00 H new ATOM 0 HG12 ILE A 91 5.620 9.803 8.884 1.00 0.00 H new ATOM 0 HG13 ILE A 91 7.139 10.652 9.094 1.00 0.00 H new ATOM 0 HG21 ILE A 91 3.908 10.512 11.014 1.00 0.00 H new ATOM 0 HG22 ILE A 91 3.468 12.181 10.584 1.00 0.00 H new ATOM 0 HG23 ILE A 91 3.550 10.929 9.322 1.00 0.00 H new ATOM 0 HD11 ILE A 91 7.108 8.578 10.387 1.00 0.00 H new ATOM 0 HD12 ILE A 91 7.197 9.987 11.469 1.00 0.00 H new ATOM 0 HD13 ILE A 91 5.654 9.125 11.256 1.00 0.00 H new ATOM 1470 N ALA A 92 5.359 14.740 10.245 1.00 0.00 N ATOM 1471 CA ALA A 92 4.688 15.935 10.738 1.00 0.00 C ATOM 1472 C ALA A 92 4.282 16.868 9.602 1.00 0.00 C ATOM 1473 O ALA A 92 3.137 17.317 9.546 1.00 0.00 O ATOM 1474 CB ALA A 92 5.576 16.670 11.731 1.00 0.00 C ATOM 0 H ALA A 92 6.279 14.579 10.655 1.00 0.00 H new ATOM 0 HA ALA A 92 3.777 15.614 11.242 1.00 0.00 H new ATOM 0 HB1 ALA A 92 5.060 17.561 12.090 1.00 0.00 H new ATOM 0 HB2 ALA A 92 5.799 16.015 12.573 1.00 0.00 H new ATOM 0 HB3 ALA A 92 6.505 16.961 11.242 1.00 0.00 H new ATOM 1480 N TYR A 93 5.207 17.145 8.686 1.00 0.00 N ATOM 1481 CA TYR A 93 4.923 18.078 7.601 1.00 0.00 C ATOM 1482 C TYR A 93 3.843 17.527 6.681 1.00 0.00 C ATOM 1483 O TYR A 93 2.881 18.228 6.361 1.00 0.00 O ATOM 1484 CB TYR A 93 6.176 18.407 6.781 1.00 0.00 C ATOM 1485 CG TYR A 93 5.991 19.627 5.898 1.00 0.00 C ATOM 1486 CD1 TYR A 93 5.930 20.895 6.463 1.00 0.00 C ATOM 1487 CD2 TYR A 93 5.864 19.519 4.513 1.00 0.00 C ATOM 1488 CE1 TYR A 93 5.749 22.019 5.683 1.00 0.00 C ATOM 1489 CE2 TYR A 93 5.684 20.644 3.728 1.00 0.00 C ATOM 1490 CZ TYR A 93 5.626 21.891 4.319 1.00 0.00 C ATOM 1491 OH TYR A 93 5.444 23.017 3.544 1.00 0.00 O ATOM 0 H TYR A 93 6.145 16.744 8.673 1.00 0.00 H new ATOM 0 HA TYR A 93 4.569 18.999 8.064 1.00 0.00 H new ATOM 0 HB2 TYR A 93 7.014 18.576 7.457 1.00 0.00 H new ATOM 0 HB3 TYR A 93 6.435 17.549 6.160 1.00 0.00 H new ATOM 0 HD1 TYR A 93 6.026 21.003 7.533 1.00 0.00 H new ATOM 0 HD2 TYR A 93 5.907 18.545 4.048 1.00 0.00 H new ATOM 0 HE1 TYR A 93 5.704 22.996 6.142 1.00 0.00 H new ATOM 0 HE2 TYR A 93 5.589 20.547 2.657 1.00 0.00 H new ATOM 0 HH TYR A 93 5.376 22.758 2.601 1.00 0.00 H new ATOM 1501 N ILE A 94 3.990 16.272 6.271 1.00 0.00 N ATOM 1502 CA ILE A 94 3.047 15.675 5.330 1.00 0.00 C ATOM 1503 C ILE A 94 1.660 15.502 5.958 1.00 0.00 C ATOM 1504 O ILE A 94 0.646 15.674 5.284 1.00 0.00 O ATOM 1505 CB ILE A 94 3.569 14.327 4.775 1.00 0.00 C ATOM 1506 CG1 ILE A 94 4.915 14.543 4.070 1.00 0.00 C ATOM 1507 CG2 ILE A 94 2.558 13.721 3.807 1.00 0.00 C ATOM 1508 CD1 ILE A 94 5.545 13.273 3.520 1.00 0.00 C ATOM 0 H ILE A 94 4.744 15.654 6.571 1.00 0.00 H new ATOM 0 HA ILE A 94 2.953 16.366 4.493 1.00 0.00 H new ATOM 0 HB ILE A 94 3.708 13.634 5.605 1.00 0.00 H new ATOM 0 HG12 ILE A 94 4.774 15.248 3.251 1.00 0.00 H new ATOM 0 HG13 ILE A 94 5.610 15.004 4.772 1.00 0.00 H new ATOM 0 HG21 ILE A 94 2.941 12.774 3.427 1.00 0.00 H new ATOM 0 HG22 ILE A 94 1.615 13.549 4.326 1.00 0.00 H new ATOM 0 HG23 ILE A 94 2.394 14.407 2.976 1.00 0.00 H new ATOM 0 HD11 ILE A 94 6.492 13.516 3.038 1.00 0.00 H new ATOM 0 HD12 ILE A 94 5.722 12.572 4.336 1.00 0.00 H new ATOM 0 HD13 ILE A 94 4.873 12.820 2.791 1.00 0.00 H new ATOM 1520 N LEU A 95 1.610 15.199 7.254 1.00 0.00 N ATOM 1521 CA LEU A 95 0.330 15.080 7.951 1.00 0.00 C ATOM 1522 C LEU A 95 -0.386 16.423 8.011 1.00 0.00 C ATOM 1523 O LEU A 95 -1.604 16.496 7.847 1.00 0.00 O ATOM 1524 CB LEU A 95 0.508 14.534 9.371 1.00 0.00 C ATOM 1525 CG LEU A 95 0.845 13.046 9.469 1.00 0.00 C ATOM 1526 CD1 LEU A 95 0.863 12.606 10.924 1.00 0.00 C ATOM 1527 CD2 LEU A 95 -0.154 12.219 8.676 1.00 0.00 C ATOM 0 H LEU A 95 2.430 15.033 7.837 1.00 0.00 H new ATOM 0 HA LEU A 95 -0.276 14.375 7.382 1.00 0.00 H new ATOM 0 HB2 LEU A 95 1.299 15.100 9.862 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -0.410 14.718 9.929 1.00 0.00 H new ATOM 0 HG LEU A 95 1.836 12.886 9.044 1.00 0.00 H new ATOM 0 HD11 LEU A 95 1.104 11.544 10.980 1.00 0.00 H new ATOM 0 HD12 LEU A 95 1.615 13.178 11.468 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -0.117 12.779 11.369 1.00 0.00 H new ATOM 0 HD21 LEU A 95 0.102 11.163 8.758 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -1.156 12.381 9.072 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -0.125 12.520 7.629 1.00 0.00 H new ATOM 1539 N LYS A 96 0.373 17.490 8.235 1.00 0.00 N ATOM 1540 CA LYS A 96 -0.208 18.825 8.315 1.00 0.00 C ATOM 1541 C LYS A 96 -0.727 19.282 6.958 1.00 0.00 C ATOM 1542 O LYS A 96 -1.521 20.215 6.875 1.00 0.00 O ATOM 1543 CB LYS A 96 0.798 19.837 8.862 1.00 0.00 C ATOM 1544 CG LYS A 96 1.123 19.632 10.332 1.00 0.00 C ATOM 1545 CD LYS A 96 1.931 20.792 10.890 1.00 0.00 C ATOM 1546 CE LYS A 96 2.280 20.580 12.356 1.00 0.00 C ATOM 1547 NZ LYS A 96 1.072 20.337 13.191 1.00 0.00 N ATOM 0 H LYS A 96 1.384 17.458 8.364 1.00 0.00 H new ATOM 0 HA LYS A 96 -1.049 18.770 9.006 1.00 0.00 H new ATOM 0 HB2 LYS A 96 1.719 19.773 8.282 1.00 0.00 H new ATOM 0 HB3 LYS A 96 0.403 20.843 8.722 1.00 0.00 H new ATOM 0 HG2 LYS A 96 0.198 19.525 10.899 1.00 0.00 H new ATOM 0 HG3 LYS A 96 1.682 18.705 10.456 1.00 0.00 H new ATOM 0 HD2 LYS A 96 2.847 20.909 10.311 1.00 0.00 H new ATOM 0 HD3 LYS A 96 1.364 21.717 10.781 1.00 0.00 H new ATOM 0 HE2 LYS A 96 2.959 19.733 12.447 1.00 0.00 H new ATOM 0 HE3 LYS A 96 2.810 21.455 12.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 1.320 20.434 14.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 0.336 21.031 12.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 0.715 19.377 13.013 1.00 0.00 H new ATOM 1561 N GLN A 97 -0.281 18.623 5.893 1.00 0.00 N ATOM 1562 CA GLN A 97 -0.781 18.926 4.558 1.00 0.00 C ATOM 1563 C GLN A 97 -2.195 18.386 4.410 1.00 0.00 C ATOM 1564 O GLN A 97 -2.980 18.870 3.596 1.00 0.00 O ATOM 1565 CB GLN A 97 0.106 18.313 3.469 1.00 0.00 C ATOM 1566 CG GLN A 97 1.561 18.758 3.495 1.00 0.00 C ATOM 1567 CD GLN A 97 1.730 20.234 3.773 1.00 0.00 C ATOM 1568 OE1 GLN A 97 1.615 21.068 2.875 1.00 0.00 O ATOM 1569 NE2 GLN A 97 2.076 20.555 5.006 1.00 0.00 N ATOM 0 H GLN A 97 0.419 17.882 5.928 1.00 0.00 H new ATOM 0 HA GLN A 97 -0.772 20.009 4.436 1.00 0.00 H new ATOM 0 HB2 GLN A 97 0.072 17.228 3.563 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -0.316 18.562 2.495 1.00 0.00 H new ATOM 0 HG2 GLN A 97 2.094 18.189 4.256 1.00 0.00 H new ATOM 0 HG3 GLN A 97 2.024 18.521 2.537 1.00 0.00 H new ATOM 0 HE21 GLN A 97 2.159 19.829 5.718 1.00 0.00 H new ATOM 0 HE22 GLN A 97 2.260 21.529 5.247 1.00 0.00 H new ATOM 1578 N ILE A 98 -2.498 17.373 5.206 1.00 0.00 N ATOM 1579 CA ILE A 98 -3.801 16.732 5.182 1.00 0.00 C ATOM 1580 C ILE A 98 -4.771 17.468 6.100 1.00 0.00 C ATOM 1581 O ILE A 98 -5.901 17.769 5.715 1.00 0.00 O ATOM 1582 CB ILE A 98 -3.692 15.258 5.624 1.00 0.00 C ATOM 1583 CG1 ILE A 98 -2.622 14.538 4.798 1.00 0.00 C ATOM 1584 CG2 ILE A 98 -5.039 14.557 5.487 1.00 0.00 C ATOM 1585 CD1 ILE A 98 -2.301 13.148 5.298 1.00 0.00 C ATOM 0 H ILE A 98 -1.849 16.974 5.884 1.00 0.00 H new ATOM 0 HA ILE A 98 -4.176 16.768 4.159 1.00 0.00 H new ATOM 0 HB ILE A 98 -3.399 15.229 6.674 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -2.957 14.474 3.763 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -1.710 15.135 4.801 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -4.942 13.518 5.803 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -5.776 15.060 6.113 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -5.363 14.591 4.447 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -1.536 12.701 4.664 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -1.935 13.206 6.323 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -3.201 12.534 5.268 1.00 0.00 H new ATOM 1597 N ASP A 99 -4.314 17.762 7.315 1.00 0.00 N ATOM 1598 CA ASP A 99 -5.141 18.460 8.296 1.00 0.00 C ATOM 1599 C ASP A 99 -5.445 19.885 7.853 1.00 0.00 C ATOM 1600 O ASP A 99 -6.593 20.328 7.913 1.00 0.00 O ATOM 1601 CB ASP A 99 -4.476 18.474 9.677 1.00 0.00 C ATOM 1602 CG ASP A 99 -4.789 17.232 10.489 1.00 0.00 C ATOM 1603 OD1 ASP A 99 -5.961 17.057 10.883 1.00 0.00 O ATOM 1604 OD2 ASP A 99 -3.864 16.440 10.769 1.00 0.00 O ATOM 0 H ASP A 99 -3.377 17.528 7.643 1.00 0.00 H new ATOM 0 HA ASP A 99 -6.080 17.912 8.368 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -3.396 18.561 9.555 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -4.807 19.355 10.226 1.00 0.00 H new