USER MOD reduce.3.24.130724 H: found=0, std=0, add=1010, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 1007 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 45 THR OG1 : rot -179:sc= 0.0925 USER MOD Set 1.2: A 117 SER OG : rot 114:sc= 0.0926 USER MOD Set 2.1: A 104 SER OG : rot 180:sc= -0.128 USER MOD Set 2.2: A 105 SER OG : rot 180:sc= 0.02 USER MOD Set 3.1: A 80 THR OG1 : rot 180:sc= 0.517 USER MOD Set 3.2: A 83 SER OG : rot -11:sc= 0.394 USER MOD Set 4.1: A 57 TYR OH : rot 60:sc= 0.801 USER MOD Set 4.2: B 204 A O2' : rot -95:sc= 0.987 USER MOD Set 5.1: A 49 SER OG : rot -24:sc= 0.481 USER MOD Set 5.2: A 89 ASN : amide:sc= 0.271 X(o=0.75,f=0.32) USER MOD Set 6.1: A 25 ASN : amide:sc= 0.393 K(o=1.1,f=-1.2) USER MOD Set 6.2: A 96 GLN : amide:sc= 0.691 K(o=1.1,f=-1.2) USER MOD Set 7.1: A 21 ASN : amide:sc= -0.418 K(o=-0.27,f=-2.4!) USER MOD Set 7.2: A 22 ASN : amide:sc= -0.0465 X(o=-0.27,f=-0.46) USER MOD Set 7.3: A 23 THR OG1 : rot 180:sc= 0.199 USER MOD Single : A 1 GLY N :NH3+ 171:sc= 0 (180deg=-0.0995) USER MOD Single : A 3 MET CE :methyl 145:sc= -0.287 (180deg=-1.01) USER MOD Single : A 5 MET CE :methyl 173:sc= -2.94 (180deg=-3.18) USER MOD Single : A 7 MET CE :methyl -108:sc= -0.338 (180deg=-3.02!) USER MOD Single : A 10 TYR OH : rot -175:sc= 0.206 USER MOD Single : A 15 SER OG : rot 180:sc= -0.177 USER MOD Single : A 17 LYS NZ :NH3+ -163:sc= 1.12 (180deg=0.879) USER MOD Single : A 19 LYS NZ :NH3+ -171:sc=-0.00883 (180deg=-0.118) USER MOD Single : A 24 THR OG1 : rot -4:sc= 1.76 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot -90:sc= -1.44 USER MOD Single : A 41 ASN : amide:sc= -3.87! C(o=-3.9!,f=-7.5!) USER MOD Single : A 44 TYR OH : rot 166:sc= -1.49! USER MOD Single : A 48 GLN : amide:sc= -2.08! K(o=-2.1!,f=-0.55) USER MOD Single : A 51 GLN : amide:sc= 0 K(o=0,f=-0.5) USER MOD Single : A 52 SER OG : rot 65:sc= 0.478 USER MOD Single : A 60 ASN : amide:sc= 0.319 X(o=0.32,f=0) USER MOD Single : A 63 SER OG : rot 176:sc= 1.26 USER MOD Single : A 68 SER OG : rot 109:sc= 1.26 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot -150:sc= -0.899 USER MOD Single : A 74 HIS : no HD1:sc= -0.18 X(o=-0.18,f=-0.041) USER MOD Single : A 77 LYS NZ :NH3+ 171:sc= -0.0063 (180deg=-0.132) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 TYR OH : rot 103:sc= 0.0105 USER MOD Single : A 86 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 90 TYR OH : rot -167:sc= -0.384! USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 HIS : no HD1:sc= -2.87 K(o=-2.9,f=-0.83) USER MOD Single : A 99 CYS SG : rot -175:sc= -1.57 USER MOD Single : A 101 ASN : amide:sc= -0.0022 K(o=-0.0022,f=-0.84) USER MOD Single : A 107 LYS NZ :NH3+ -178:sc= 1.57 (180deg=1.57) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 116 CYS SG : rot -17:sc= -2.34! USER MOD Single : A 122 GLN : amide:sc= -0.0208 K(o=-0.021,f=-0.81) USER MOD Single : B 205 C O2' : rot 122:sc= 1.23 USER MOD Single : B 205 C O3' : rot 111:sc= -2.56! USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.803 18.589 8.865 1.00 4.50 N ATOM 2 CA GLY A 1 -12.940 19.024 8.013 1.00 3.82 C ATOM 3 C GLY A 1 -12.891 18.408 6.628 1.00 3.11 C ATOM 4 O GLY A 1 -13.264 19.047 5.645 1.00 3.68 O ATOM 0 H1 GLY A 1 -11.793 19.148 9.742 1.00 4.50 H new ATOM 0 H2 GLY A 1 -11.910 17.581 9.098 1.00 4.50 H new ATOM 0 H3 GLY A 1 -10.910 18.733 8.352 1.00 4.50 H new ATOM 0 HA2 GLY A 1 -13.878 18.751 8.496 1.00 3.82 H new ATOM 0 HA3 GLY A 1 -12.930 20.110 7.925 1.00 3.82 H new ATOM 10 N ALA A 2 -12.422 17.170 6.549 1.00 2.29 N ATOM 11 CA ALA A 2 -12.338 16.454 5.285 1.00 2.08 C ATOM 12 C ALA A 2 -12.481 14.959 5.523 1.00 1.48 C ATOM 13 O ALA A 2 -11.969 14.429 6.512 1.00 1.84 O ATOM 14 CB ALA A 2 -11.024 16.761 4.581 1.00 2.71 C ATOM 0 H ALA A 2 -12.091 16.638 7.354 1.00 2.29 H new ATOM 0 HA ALA A 2 -13.153 16.785 4.641 1.00 2.08 H new ATOM 0 HB1 ALA A 2 -10.980 16.216 3.638 1.00 2.71 H new ATOM 0 HB2 ALA A 2 -10.958 17.831 4.385 1.00 2.71 H new ATOM 0 HB3 ALA A 2 -10.192 16.456 5.215 1.00 2.71 H new ATOM 20 N MET A 3 -13.172 14.283 4.624 1.00 1.46 N ATOM 21 CA MET A 3 -13.443 12.859 4.777 1.00 1.11 C ATOM 22 C MET A 3 -12.257 12.015 4.322 1.00 0.83 C ATOM 23 O MET A 3 -12.364 11.218 3.391 1.00 0.86 O ATOM 24 CB MET A 3 -14.690 12.465 3.991 1.00 1.57 C ATOM 25 CG MET A 3 -15.965 13.133 4.478 1.00 2.17 C ATOM 26 SD MET A 3 -17.423 12.600 3.557 1.00 3.21 S ATOM 27 CE MET A 3 -17.392 10.836 3.877 1.00 4.12 C ATOM 0 H MET A 3 -13.559 14.696 3.775 1.00 1.46 H new ATOM 0 HA MET A 3 -13.612 12.668 5.837 1.00 1.11 H new ATOM 0 HB2 MET A 3 -14.539 12.715 2.941 1.00 1.57 H new ATOM 0 HB3 MET A 3 -14.815 11.384 4.046 1.00 1.57 H new ATOM 0 HG2 MET A 3 -16.106 12.910 5.536 1.00 2.17 H new ATOM 0 HG3 MET A 3 -15.860 14.214 4.391 1.00 2.17 H new ATOM 0 HE1 MET A 3 -18.413 10.463 3.956 1.00 4.12 H new ATOM 0 HE2 MET A 3 -16.882 10.327 3.059 1.00 4.12 H new ATOM 0 HE3 MET A 3 -16.862 10.645 4.810 1.00 4.12 H new ATOM 37 N ALA A 4 -11.127 12.206 4.978 1.00 0.78 N ATOM 38 CA ALA A 4 -9.946 11.402 4.714 1.00 0.62 C ATOM 39 C ALA A 4 -10.054 10.074 5.454 1.00 0.57 C ATOM 40 O ALA A 4 -9.842 10.002 6.667 1.00 0.79 O ATOM 41 CB ALA A 4 -8.686 12.153 5.120 1.00 0.73 C ATOM 0 H ALA A 4 -11.001 12.914 5.701 1.00 0.78 H new ATOM 0 HA ALA A 4 -9.882 11.201 3.645 1.00 0.62 H new ATOM 0 HB1 ALA A 4 -7.812 11.535 4.915 1.00 0.73 H new ATOM 0 HB2 ALA A 4 -8.616 13.080 4.552 1.00 0.73 H new ATOM 0 HB3 ALA A 4 -8.726 12.382 6.185 1.00 0.73 H new ATOM 47 N MET A 5 -10.401 9.034 4.717 1.00 0.40 N ATOM 48 CA MET A 5 -10.655 7.723 5.298 1.00 0.39 C ATOM 49 C MET A 5 -9.478 6.786 5.089 1.00 0.36 C ATOM 50 O MET A 5 -8.915 6.731 4.005 1.00 0.38 O ATOM 51 CB MET A 5 -11.896 7.100 4.656 1.00 0.41 C ATOM 52 CG MET A 5 -13.208 7.572 5.261 1.00 0.47 C ATOM 53 SD MET A 5 -14.634 6.667 4.625 1.00 0.54 S ATOM 54 CE MET A 5 -14.195 4.992 5.079 1.00 1.31 C ATOM 0 H MET A 5 -10.515 9.071 3.704 1.00 0.40 H new ATOM 0 HA MET A 5 -10.810 7.862 6.368 1.00 0.39 H new ATOM 0 HB2 MET A 5 -11.896 7.330 3.591 1.00 0.41 H new ATOM 0 HB3 MET A 5 -11.835 6.016 4.748 1.00 0.41 H new ATOM 0 HG2 MET A 5 -13.165 7.459 6.344 1.00 0.47 H new ATOM 0 HG3 MET A 5 -13.336 8.635 5.056 1.00 0.47 H new ATOM 0 HE1 MET A 5 -15.032 4.326 4.866 1.00 1.31 H new ATOM 0 HE2 MET A 5 -13.324 4.676 4.505 1.00 1.31 H new ATOM 0 HE3 MET A 5 -13.961 4.953 6.143 1.00 1.31 H new ATOM 64 N PRO A 6 -9.082 6.038 6.126 1.00 0.38 N ATOM 65 CA PRO A 6 -8.120 4.950 5.964 1.00 0.37 C ATOM 66 C PRO A 6 -8.665 3.932 4.966 1.00 0.32 C ATOM 67 O PRO A 6 -9.829 3.539 5.046 1.00 0.30 O ATOM 68 CB PRO A 6 -8.016 4.340 7.368 1.00 0.47 C ATOM 69 CG PRO A 6 -8.494 5.409 8.291 1.00 0.53 C ATOM 70 CD PRO A 6 -9.523 6.189 7.523 1.00 0.49 C ATOM 0 HA PRO A 6 -7.152 5.277 5.584 1.00 0.37 H new ATOM 0 HB2 PRO A 6 -8.628 3.442 7.454 1.00 0.47 H new ATOM 0 HB3 PRO A 6 -6.990 4.050 7.597 1.00 0.47 H new ATOM 0 HG2 PRO A 6 -8.925 4.980 9.196 1.00 0.53 H new ATOM 0 HG3 PRO A 6 -7.671 6.051 8.604 1.00 0.53 H new ATOM 0 HD2 PRO A 6 -10.526 5.791 7.674 1.00 0.49 H new ATOM 0 HD3 PRO A 6 -9.546 7.235 7.828 1.00 0.49 H new ATOM 78 N MET A 7 -7.836 3.527 4.014 1.00 0.31 N ATOM 79 CA MET A 7 -8.302 2.710 2.900 1.00 0.28 C ATOM 80 C MET A 7 -8.803 1.342 3.346 1.00 0.27 C ATOM 81 O MET A 7 -9.646 0.748 2.678 1.00 0.29 O ATOM 82 CB MET A 7 -7.219 2.555 1.842 1.00 0.30 C ATOM 83 CG MET A 7 -6.935 3.831 1.072 1.00 0.33 C ATOM 84 SD MET A 7 -6.160 3.504 -0.519 1.00 1.17 S ATOM 85 CE MET A 7 -7.474 2.606 -1.337 1.00 0.48 C ATOM 0 H MET A 7 -6.841 3.749 3.990 1.00 0.31 H new ATOM 0 HA MET A 7 -9.149 3.240 2.464 1.00 0.28 H new ATOM 0 HB2 MET A 7 -6.300 2.218 2.321 1.00 0.30 H new ATOM 0 HB3 MET A 7 -7.517 1.776 1.140 1.00 0.30 H new ATOM 0 HG2 MET A 7 -7.867 4.375 0.916 1.00 0.33 H new ATOM 0 HG3 MET A 7 -6.286 4.475 1.665 1.00 0.33 H new ATOM 0 HE1 MET A 7 -7.202 1.553 -1.415 1.00 0.48 H new ATOM 0 HE2 MET A 7 -8.394 2.701 -0.760 1.00 0.48 H new ATOM 0 HE3 MET A 7 -7.628 3.016 -2.335 1.00 0.48 H new ATOM 95 N ILE A 8 -8.300 0.838 4.464 1.00 0.26 N ATOM 96 CA ILE A 8 -8.820 -0.408 5.017 1.00 0.25 C ATOM 97 C ILE A 8 -10.239 -0.179 5.525 1.00 0.24 C ATOM 98 O ILE A 8 -11.139 -0.972 5.260 1.00 0.26 O ATOM 99 CB ILE A 8 -7.925 -0.959 6.148 1.00 0.23 C ATOM 100 CG1 ILE A 8 -6.539 -1.314 5.595 1.00 0.25 C ATOM 101 CG2 ILE A 8 -8.569 -2.169 6.813 1.00 0.25 C ATOM 102 CD1 ILE A 8 -6.566 -2.370 4.507 1.00 0.27 C ATOM 0 H ILE A 8 -7.544 1.264 5.000 1.00 0.26 H new ATOM 0 HA ILE A 8 -8.826 -1.156 4.224 1.00 0.25 H new ATOM 0 HB ILE A 8 -7.811 -0.185 6.907 1.00 0.23 H new ATOM 0 HG12 ILE A 8 -6.073 -0.411 5.200 1.00 0.25 H new ATOM 0 HG13 ILE A 8 -5.911 -1.665 6.414 1.00 0.25 H new ATOM 0 HG21 ILE A 8 -7.918 -2.538 7.606 1.00 0.25 H new ATOM 0 HG22 ILE A 8 -9.531 -1.882 7.237 1.00 0.25 H new ATOM 0 HG23 ILE A 8 -8.719 -2.954 6.072 1.00 0.25 H new ATOM 0 HD11 ILE A 8 -5.550 -2.568 4.166 1.00 0.27 H new ATOM 0 HD12 ILE A 8 -7.001 -3.288 4.902 1.00 0.27 H new ATOM 0 HD13 ILE A 8 -7.167 -2.014 3.670 1.00 0.27 H new ATOM 114 N GLU A 9 -10.427 0.944 6.215 1.00 0.26 N ATOM 115 CA GLU A 9 -11.746 1.365 6.684 1.00 0.28 C ATOM 116 C GLU A 9 -12.700 1.479 5.500 1.00 0.26 C ATOM 117 O GLU A 9 -13.857 1.064 5.570 1.00 0.28 O ATOM 118 CB GLU A 9 -11.632 2.719 7.394 1.00 0.32 C ATOM 119 CG GLU A 9 -12.934 3.234 7.990 1.00 0.40 C ATOM 120 CD GLU A 9 -13.365 2.452 9.210 1.00 0.87 C ATOM 121 OE1 GLU A 9 -12.578 2.373 10.175 1.00 1.01 O ATOM 122 OE2 GLU A 9 -14.503 1.941 9.229 1.00 1.62 O ATOM 0 H GLU A 9 -9.674 1.585 6.464 1.00 0.26 H new ATOM 0 HA GLU A 9 -12.134 0.625 7.384 1.00 0.28 H new ATOM 0 HB2 GLU A 9 -10.891 2.636 8.190 1.00 0.32 H new ATOM 0 HB3 GLU A 9 -11.256 3.456 6.684 1.00 0.32 H new ATOM 0 HG2 GLU A 9 -12.816 4.284 8.259 1.00 0.40 H new ATOM 0 HG3 GLU A 9 -13.719 3.185 7.235 1.00 0.40 H new ATOM 129 N TYR A 10 -12.189 2.043 4.410 1.00 0.28 N ATOM 130 CA TYR A 10 -12.953 2.193 3.178 1.00 0.29 C ATOM 131 C TYR A 10 -13.450 0.826 2.697 1.00 0.28 C ATOM 132 O TYR A 10 -14.612 0.668 2.314 1.00 0.31 O ATOM 133 CB TYR A 10 -12.075 2.858 2.107 1.00 0.31 C ATOM 134 CG TYR A 10 -12.830 3.369 0.900 1.00 0.39 C ATOM 135 CD1 TYR A 10 -13.744 4.407 1.024 1.00 0.50 C ATOM 136 CD2 TYR A 10 -12.622 2.827 -0.365 1.00 0.47 C ATOM 137 CE1 TYR A 10 -14.432 4.889 -0.071 1.00 0.59 C ATOM 138 CE2 TYR A 10 -13.308 3.305 -1.465 1.00 0.57 C ATOM 139 CZ TYR A 10 -14.213 4.335 -1.313 1.00 0.60 C ATOM 140 OH TYR A 10 -14.896 4.813 -2.405 1.00 0.71 O ATOM 0 H TYR A 10 -11.238 2.407 4.356 1.00 0.28 H new ATOM 0 HA TYR A 10 -13.821 2.826 3.364 1.00 0.29 H new ATOM 0 HB2 TYR A 10 -11.538 3.690 2.562 1.00 0.31 H new ATOM 0 HB3 TYR A 10 -11.326 2.140 1.773 1.00 0.31 H new ATOM 0 HD1 TYR A 10 -13.920 4.845 1.995 1.00 0.50 H new ATOM 0 HD2 TYR A 10 -11.914 2.021 -0.489 1.00 0.47 H new ATOM 0 HE1 TYR A 10 -15.139 5.697 0.045 1.00 0.59 H new ATOM 0 HE2 TYR A 10 -13.136 2.874 -2.440 1.00 0.57 H new ATOM 0 HH TYR A 10 -14.685 4.264 -3.189 1.00 0.71 H new ATOM 150 N LEU A 11 -12.567 -0.163 2.743 1.00 0.27 N ATOM 151 CA LEU A 11 -12.905 -1.521 2.330 1.00 0.28 C ATOM 152 C LEU A 11 -13.883 -2.175 3.297 1.00 0.28 C ATOM 153 O LEU A 11 -14.864 -2.782 2.868 1.00 0.31 O ATOM 154 CB LEU A 11 -11.643 -2.373 2.187 1.00 0.32 C ATOM 155 CG LEU A 11 -10.999 -2.346 0.796 1.00 0.55 C ATOM 156 CD1 LEU A 11 -10.740 -0.918 0.337 1.00 1.14 C ATOM 157 CD2 LEU A 11 -9.710 -3.153 0.791 1.00 1.24 C ATOM 0 H LEU A 11 -11.605 -0.050 3.064 1.00 0.27 H new ATOM 0 HA LEU A 11 -13.394 -1.455 1.358 1.00 0.28 H new ATOM 0 HB2 LEU A 11 -10.909 -2.034 2.918 1.00 0.32 H new ATOM 0 HB3 LEU A 11 -11.889 -3.405 2.437 1.00 0.32 H new ATOM 0 HG LEU A 11 -11.697 -2.801 0.093 1.00 0.55 H new ATOM 0 HD11 LEU A 11 -10.283 -0.931 -0.652 1.00 1.14 H new ATOM 0 HD12 LEU A 11 -11.683 -0.373 0.294 1.00 1.14 H new ATOM 0 HD13 LEU A 11 -10.068 -0.426 1.040 1.00 1.14 H new ATOM 0 HD21 LEU A 11 -9.266 -3.123 -0.204 1.00 1.24 H new ATOM 0 HD22 LEU A 11 -9.012 -2.728 1.513 1.00 1.24 H new ATOM 0 HD23 LEU A 11 -9.927 -4.187 1.061 1.00 1.24 H new ATOM 169 N GLU A 12 -13.629 -2.039 4.592 1.00 0.29 N ATOM 170 CA GLU A 12 -14.484 -2.647 5.607 1.00 0.34 C ATOM 171 C GLU A 12 -15.931 -2.189 5.459 1.00 0.39 C ATOM 172 O GLU A 12 -16.860 -2.992 5.551 1.00 0.43 O ATOM 173 CB GLU A 12 -13.980 -2.311 7.014 1.00 0.40 C ATOM 174 CG GLU A 12 -12.546 -2.744 7.263 1.00 0.39 C ATOM 175 CD GLU A 12 -12.108 -2.560 8.699 1.00 0.81 C ATOM 176 OE1 GLU A 12 -11.992 -1.404 9.155 1.00 1.22 O ATOM 177 OE2 GLU A 12 -11.867 -3.577 9.377 1.00 1.50 O ATOM 0 H GLU A 12 -12.839 -1.514 4.966 1.00 0.29 H new ATOM 0 HA GLU A 12 -14.445 -3.727 5.462 1.00 0.34 H new ATOM 0 HB2 GLU A 12 -14.059 -1.235 7.173 1.00 0.40 H new ATOM 0 HB3 GLU A 12 -14.628 -2.790 7.748 1.00 0.40 H new ATOM 0 HG2 GLU A 12 -12.437 -3.793 6.989 1.00 0.39 H new ATOM 0 HG3 GLU A 12 -11.883 -2.174 6.612 1.00 0.39 H new ATOM 184 N ARG A 13 -16.116 -0.901 5.211 1.00 0.40 N ATOM 185 CA ARG A 13 -17.451 -0.322 5.162 1.00 0.47 C ATOM 186 C ARG A 13 -18.158 -0.599 3.836 1.00 0.45 C ATOM 187 O ARG A 13 -19.297 -1.061 3.824 1.00 0.55 O ATOM 188 CB ARG A 13 -17.385 1.188 5.393 1.00 0.55 C ATOM 189 CG ARG A 13 -16.657 1.581 6.668 1.00 0.80 C ATOM 190 CD ARG A 13 -16.789 3.070 6.946 1.00 0.71 C ATOM 191 NE ARG A 13 -18.183 3.453 7.151 1.00 0.77 N ATOM 192 CZ ARG A 13 -18.698 4.629 6.799 1.00 0.92 C ATOM 193 NH1 ARG A 13 -17.927 5.569 6.267 1.00 1.19 N ATOM 194 NH2 ARG A 13 -19.989 4.871 6.978 1.00 1.10 N ATOM 0 H ARG A 13 -15.360 -0.238 5.041 1.00 0.40 H new ATOM 0 HA ARG A 13 -18.029 -0.797 5.955 1.00 0.47 H new ATOM 0 HB2 ARG A 13 -16.888 1.655 4.543 1.00 0.55 H new ATOM 0 HB3 ARG A 13 -18.399 1.586 5.427 1.00 0.55 H new ATOM 0 HG2 ARG A 13 -17.060 1.015 7.508 1.00 0.80 H new ATOM 0 HG3 ARG A 13 -15.603 1.317 6.583 1.00 0.80 H new ATOM 0 HD2 ARG A 13 -16.205 3.330 7.829 1.00 0.71 H new ATOM 0 HD3 ARG A 13 -16.374 3.635 6.112 1.00 0.71 H new ATOM 0 HE ARG A 13 -18.803 2.775 7.593 1.00 0.77 H new ATOM 0 HH11 ARG A 13 -16.932 5.393 6.125 1.00 1.19 H new ATOM 0 HH12 ARG A 13 -18.329 6.468 6.000 1.00 1.19 H new ATOM 0 HH21 ARG A 13 -20.590 4.155 7.386 1.00 1.10 H new ATOM 0 HH22 ARG A 13 -20.381 5.773 6.707 1.00 1.10 H new ATOM 208 N PHE A 14 -17.490 -0.316 2.723 1.00 0.40 N ATOM 209 CA PHE A 14 -18.162 -0.322 1.425 1.00 0.42 C ATOM 210 C PHE A 14 -17.811 -1.549 0.592 1.00 0.43 C ATOM 211 O PHE A 14 -18.679 -2.138 -0.052 1.00 0.55 O ATOM 212 CB PHE A 14 -17.801 0.937 0.633 1.00 0.42 C ATOM 213 CG PHE A 14 -17.859 2.206 1.437 1.00 0.46 C ATOM 214 CD1 PHE A 14 -19.075 2.814 1.690 1.00 0.61 C ATOM 215 CD2 PHE A 14 -16.706 2.790 1.936 1.00 0.42 C ATOM 216 CE1 PHE A 14 -19.148 3.977 2.423 1.00 0.67 C ATOM 217 CE2 PHE A 14 -16.771 3.958 2.674 1.00 0.50 C ATOM 218 CZ PHE A 14 -17.939 4.547 2.930 1.00 0.60 C ATOM 0 H PHE A 14 -16.498 -0.082 2.690 1.00 0.40 H new ATOM 0 HA PHE A 14 -19.233 -0.347 1.628 1.00 0.42 H new ATOM 0 HB2 PHE A 14 -16.796 0.822 0.227 1.00 0.42 H new ATOM 0 HB3 PHE A 14 -18.479 1.026 -0.216 1.00 0.42 H new ATOM 0 HD1 PHE A 14 -19.982 2.370 1.307 1.00 0.61 H new ATOM 0 HD2 PHE A 14 -15.748 2.329 1.747 1.00 0.42 H new ATOM 0 HE1 PHE A 14 -20.101 4.450 2.611 1.00 0.67 H new ATOM 0 HE2 PHE A 14 -15.860 4.400 3.049 1.00 0.50 H new ATOM 0 HZ PHE A 14 -17.972 5.452 3.519 1.00 0.60 H new ATOM 228 N SER A 15 -16.545 -1.937 0.596 1.00 0.39 N ATOM 229 CA SER A 15 -16.071 -2.959 -0.330 1.00 0.46 C ATOM 230 C SER A 15 -16.392 -4.373 0.161 1.00 0.49 C ATOM 231 O SER A 15 -16.980 -5.174 -0.565 1.00 0.59 O ATOM 232 CB SER A 15 -14.566 -2.804 -0.542 1.00 0.47 C ATOM 233 OG SER A 15 -14.238 -1.473 -0.907 1.00 1.46 O ATOM 0 H SER A 15 -15.832 -1.565 1.223 1.00 0.39 H new ATOM 0 HA SER A 15 -16.593 -2.818 -1.277 1.00 0.46 H new ATOM 0 HB2 SER A 15 -14.037 -3.075 0.371 1.00 0.47 H new ATOM 0 HB3 SER A 15 -14.232 -3.491 -1.320 1.00 0.47 H new ATOM 0 HG SER A 15 -13.269 -1.398 -1.035 1.00 1.46 H new ATOM 239 N LEU A 16 -16.016 -4.667 1.394 1.00 0.45 N ATOM 240 CA LEU A 16 -16.167 -6.011 1.940 1.00 0.51 C ATOM 241 C LEU A 16 -17.495 -6.190 2.654 1.00 0.57 C ATOM 242 O LEU A 16 -18.049 -7.289 2.682 1.00 0.67 O ATOM 243 CB LEU A 16 -15.024 -6.339 2.894 1.00 0.54 C ATOM 244 CG LEU A 16 -13.805 -6.978 2.233 1.00 0.57 C ATOM 245 CD1 LEU A 16 -14.206 -8.249 1.499 1.00 1.13 C ATOM 246 CD2 LEU A 16 -13.123 -5.997 1.290 1.00 1.33 C ATOM 0 H LEU A 16 -15.603 -3.994 2.039 1.00 0.45 H new ATOM 0 HA LEU A 16 -16.142 -6.700 1.095 1.00 0.51 H new ATOM 0 HB2 LEU A 16 -14.711 -5.422 3.393 1.00 0.54 H new ATOM 0 HB3 LEU A 16 -15.396 -7.012 3.667 1.00 0.54 H new ATOM 0 HG LEU A 16 -13.090 -7.243 3.012 1.00 0.57 H new ATOM 0 HD11 LEU A 16 -13.326 -8.693 1.033 1.00 1.13 H new ATOM 0 HD12 LEU A 16 -14.638 -8.957 2.206 1.00 1.13 H new ATOM 0 HD13 LEU A 16 -14.941 -8.009 0.731 1.00 1.13 H new ATOM 0 HD21 LEU A 16 -12.258 -6.475 0.831 1.00 1.33 H new ATOM 0 HD22 LEU A 16 -13.824 -5.692 0.513 1.00 1.33 H new ATOM 0 HD23 LEU A 16 -12.799 -5.120 1.850 1.00 1.33 H new ATOM 258 N LYS A 17 -17.996 -5.091 3.220 1.00 0.56 N ATOM 259 CA LYS A 17 -19.210 -5.108 4.037 1.00 0.66 C ATOM 260 C LYS A 17 -18.981 -5.955 5.283 1.00 0.72 C ATOM 261 O LYS A 17 -19.920 -6.467 5.895 1.00 0.83 O ATOM 262 CB LYS A 17 -20.412 -5.633 3.240 1.00 0.75 C ATOM 263 CG LYS A 17 -20.654 -4.889 1.934 1.00 0.77 C ATOM 264 CD LYS A 17 -20.755 -3.393 2.154 1.00 1.12 C ATOM 265 CE LYS A 17 -21.955 -3.039 3.005 1.00 1.28 C ATOM 266 NZ LYS A 17 -22.027 -1.581 3.281 1.00 2.11 N ATOM 0 H LYS A 17 -17.573 -4.167 3.126 1.00 0.56 H new ATOM 0 HA LYS A 17 -19.437 -4.085 4.337 1.00 0.66 H new ATOM 0 HB2 LYS A 17 -20.258 -6.690 3.022 1.00 0.75 H new ATOM 0 HB3 LYS A 17 -21.306 -5.562 3.859 1.00 0.75 H new ATOM 0 HG2 LYS A 17 -19.842 -5.101 1.238 1.00 0.77 H new ATOM 0 HG3 LYS A 17 -21.572 -5.252 1.473 1.00 0.77 H new ATOM 0 HD2 LYS A 17 -19.846 -3.033 2.636 1.00 1.12 H new ATOM 0 HD3 LYS A 17 -20.828 -2.886 1.192 1.00 1.12 H new ATOM 0 HE2 LYS A 17 -22.866 -3.358 2.499 1.00 1.28 H new ATOM 0 HE3 LYS A 17 -21.906 -3.585 3.947 1.00 1.28 H new ATOM 0 HZ1 LYS A 17 -22.670 -1.410 4.081 1.00 2.11 H new ATOM 0 HZ2 LYS A 17 -21.079 -1.225 3.517 1.00 2.11 H new ATOM 0 HZ3 LYS A 17 -22.383 -1.085 2.439 1.00 2.11 H new ATOM 280 N ALA A 18 -17.713 -6.076 5.650 1.00 0.68 N ATOM 281 CA ALA A 18 -17.291 -6.890 6.776 1.00 0.75 C ATOM 282 C ALA A 18 -15.983 -6.349 7.336 1.00 0.72 C ATOM 283 O ALA A 18 -15.301 -5.560 6.680 1.00 0.96 O ATOM 284 CB ALA A 18 -17.124 -8.341 6.346 1.00 0.78 C ATOM 0 H ALA A 18 -16.944 -5.608 5.170 1.00 0.68 H new ATOM 0 HA ALA A 18 -18.055 -6.848 7.553 1.00 0.75 H new ATOM 0 HB1 ALA A 18 -16.807 -8.939 7.200 1.00 0.78 H new ATOM 0 HB2 ALA A 18 -18.074 -8.720 5.969 1.00 0.78 H new ATOM 0 HB3 ALA A 18 -16.371 -8.403 5.560 1.00 0.78 H new ATOM 290 N LYS A 19 -15.638 -6.778 8.539 1.00 0.64 N ATOM 291 CA LYS A 19 -14.440 -6.295 9.210 1.00 0.62 C ATOM 292 C LYS A 19 -13.204 -7.022 8.690 1.00 0.55 C ATOM 293 O LYS A 19 -13.179 -8.255 8.613 1.00 0.61 O ATOM 294 CB LYS A 19 -14.574 -6.497 10.723 1.00 0.72 C ATOM 295 CG LYS A 19 -13.711 -5.555 11.542 1.00 0.76 C ATOM 296 CD LYS A 19 -14.205 -4.120 11.428 1.00 1.24 C ATOM 297 CE LYS A 19 -13.301 -3.149 12.173 1.00 2.05 C ATOM 298 NZ LYS A 19 -13.223 -3.456 13.625 1.00 2.59 N ATOM 0 H LYS A 19 -16.173 -7.463 9.074 1.00 0.64 H new ATOM 0 HA LYS A 19 -14.327 -5.231 9.000 1.00 0.62 H new ATOM 0 HB2 LYS A 19 -15.617 -6.361 11.008 1.00 0.72 H new ATOM 0 HB3 LYS A 19 -14.308 -7.525 10.968 1.00 0.72 H new ATOM 0 HG2 LYS A 19 -13.721 -5.864 12.587 1.00 0.76 H new ATOM 0 HG3 LYS A 19 -12.677 -5.615 11.201 1.00 0.76 H new ATOM 0 HD2 LYS A 19 -14.256 -3.836 10.377 1.00 1.24 H new ATOM 0 HD3 LYS A 19 -15.218 -4.052 11.826 1.00 1.24 H new ATOM 0 HE2 LYS A 19 -12.300 -3.183 11.742 1.00 2.05 H new ATOM 0 HE3 LYS A 19 -13.672 -2.133 12.038 1.00 2.05 H new ATOM 0 HZ1 LYS A 19 -12.724 -2.687 14.116 1.00 2.59 H new ATOM 0 HZ2 LYS A 19 -14.184 -3.549 14.012 1.00 2.59 H new ATOM 0 HZ3 LYS A 19 -12.706 -4.348 13.764 1.00 2.59 H new ATOM 312 N ILE A 20 -12.192 -6.245 8.330 1.00 0.48 N ATOM 313 CA ILE A 20 -10.931 -6.784 7.842 1.00 0.45 C ATOM 314 C ILE A 20 -10.175 -7.462 8.983 1.00 0.54 C ATOM 315 O ILE A 20 -10.034 -6.893 10.067 1.00 0.61 O ATOM 316 CB ILE A 20 -10.065 -5.662 7.223 1.00 0.41 C ATOM 317 CG1 ILE A 20 -10.649 -5.198 5.881 1.00 0.34 C ATOM 318 CG2 ILE A 20 -8.618 -6.109 7.046 1.00 0.47 C ATOM 319 CD1 ILE A 20 -10.633 -6.258 4.802 1.00 0.30 C ATOM 0 H ILE A 20 -12.222 -5.226 8.368 1.00 0.48 H new ATOM 0 HA ILE A 20 -11.145 -7.523 7.069 1.00 0.45 H new ATOM 0 HB ILE A 20 -10.075 -4.821 7.916 1.00 0.41 H new ATOM 0 HG12 ILE A 20 -11.677 -4.870 6.038 1.00 0.34 H new ATOM 0 HG13 ILE A 20 -10.087 -4.331 5.533 1.00 0.34 H new ATOM 0 HG21 ILE A 20 -8.037 -5.297 6.609 1.00 0.47 H new ATOM 0 HG22 ILE A 20 -8.198 -6.374 8.016 1.00 0.47 H new ATOM 0 HG23 ILE A 20 -8.583 -6.976 6.386 1.00 0.47 H new ATOM 0 HD11 ILE A 20 -11.062 -5.851 3.886 1.00 0.30 H new ATOM 0 HD12 ILE A 20 -9.606 -6.570 4.614 1.00 0.30 H new ATOM 0 HD13 ILE A 20 -11.220 -7.117 5.127 1.00 0.30 H new ATOM 331 N ASN A 21 -9.701 -8.675 8.746 1.00 0.59 N ATOM 332 CA ASN A 21 -9.047 -9.454 9.788 1.00 0.73 C ATOM 333 C ASN A 21 -7.882 -10.251 9.199 1.00 0.75 C ATOM 334 O ASN A 21 -7.677 -10.243 7.988 1.00 0.71 O ATOM 335 CB ASN A 21 -10.070 -10.391 10.445 1.00 0.83 C ATOM 336 CG ASN A 21 -9.543 -11.075 11.690 1.00 1.27 C ATOM 337 OD1 ASN A 21 -8.709 -10.531 12.408 1.00 1.96 O ATOM 338 ND2 ASN A 21 -10.019 -12.280 11.944 1.00 1.76 N ATOM 0 H ASN A 21 -9.757 -9.142 7.841 1.00 0.59 H new ATOM 0 HA ASN A 21 -8.648 -8.781 10.547 1.00 0.73 H new ATOM 0 HB2 ASN A 21 -10.962 -9.820 10.702 1.00 0.83 H new ATOM 0 HB3 ASN A 21 -10.374 -11.149 9.723 1.00 0.83 H new ATOM 0 HD21 ASN A 21 -9.694 -12.795 12.763 1.00 1.76 H new ATOM 0 HD22 ASN A 21 -10.712 -12.696 11.322 1.00 1.76 H new ATOM 345 N ASN A 22 -7.122 -10.941 10.039 1.00 0.88 N ATOM 346 CA ASN A 22 -6.023 -11.776 9.556 1.00 0.98 C ATOM 347 C ASN A 22 -6.552 -12.958 8.743 1.00 0.93 C ATOM 348 O ASN A 22 -5.832 -13.547 7.936 1.00 1.05 O ATOM 349 CB ASN A 22 -5.170 -12.281 10.730 1.00 1.19 C ATOM 350 CG ASN A 22 -5.966 -13.095 11.736 1.00 1.98 C ATOM 351 OD1 ASN A 22 -6.541 -12.545 12.674 1.00 2.79 O ATOM 352 ND2 ASN A 22 -5.996 -14.408 11.567 1.00 2.54 N ATOM 0 H ASN A 22 -7.242 -10.942 11.052 1.00 0.88 H new ATOM 0 HA ASN A 22 -5.397 -11.164 8.907 1.00 0.98 H new ATOM 0 HB2 ASN A 22 -4.353 -12.890 10.343 1.00 1.19 H new ATOM 0 HB3 ASN A 22 -4.719 -11.428 11.237 1.00 1.19 H new ATOM 0 HD21 ASN A 22 -6.507 -14.995 12.226 1.00 2.54 H new ATOM 0 HD22 ASN A 22 -5.508 -14.832 10.778 1.00 2.54 H new ATOM 359 N THR A 23 -7.818 -13.297 8.953 1.00 0.85 N ATOM 360 CA THR A 23 -8.437 -14.409 8.254 1.00 0.88 C ATOM 361 C THR A 23 -8.921 -14.002 6.864 1.00 0.71 C ATOM 362 O THR A 23 -9.103 -14.848 5.988 1.00 0.74 O ATOM 363 CB THR A 23 -9.617 -14.977 9.062 1.00 1.04 C ATOM 364 OG1 THR A 23 -10.437 -13.906 9.551 1.00 1.30 O ATOM 365 CG2 THR A 23 -9.121 -15.817 10.229 1.00 1.69 C ATOM 0 H THR A 23 -8.436 -12.814 9.605 1.00 0.85 H new ATOM 0 HA THR A 23 -7.674 -15.179 8.142 1.00 0.88 H new ATOM 0 HB THR A 23 -10.207 -15.614 8.403 1.00 1.04 H new ATOM 0 HG1 THR A 23 -11.187 -14.275 10.063 1.00 1.30 H new ATOM 0 HG21 THR A 23 -9.974 -16.207 10.785 1.00 1.69 H new ATOM 0 HG22 THR A 23 -8.523 -16.647 9.852 1.00 1.69 H new ATOM 0 HG23 THR A 23 -8.510 -15.200 10.888 1.00 1.69 H new ATOM 373 N THR A 24 -9.116 -12.708 6.653 1.00 0.57 N ATOM 374 CA THR A 24 -9.605 -12.222 5.376 1.00 0.45 C ATOM 375 C THR A 24 -8.450 -11.969 4.411 1.00 0.42 C ATOM 376 O THR A 24 -7.563 -11.160 4.684 1.00 0.50 O ATOM 377 CB THR A 24 -10.431 -10.929 5.545 1.00 0.44 C ATOM 378 OG1 THR A 24 -9.672 -9.945 6.259 1.00 1.08 O ATOM 379 CG2 THR A 24 -11.729 -11.203 6.291 1.00 0.92 C ATOM 0 H THR A 24 -8.943 -11.981 7.347 1.00 0.57 H new ATOM 0 HA THR A 24 -10.252 -12.996 4.963 1.00 0.45 H new ATOM 0 HB THR A 24 -10.671 -10.554 4.550 1.00 0.44 H new ATOM 0 HG1 THR A 24 -8.820 -10.334 6.546 1.00 1.08 H new ATOM 0 HG21 THR A 24 -12.291 -10.275 6.396 1.00 0.92 H new ATOM 0 HG22 THR A 24 -12.324 -11.926 5.733 1.00 0.92 H new ATOM 0 HG23 THR A 24 -11.503 -11.604 7.279 1.00 0.92 H new ATOM 387 N ASN A 25 -8.461 -12.673 3.290 1.00 0.43 N ATOM 388 CA ASN A 25 -7.455 -12.474 2.259 1.00 0.52 C ATOM 389 C ASN A 25 -7.990 -11.493 1.230 1.00 0.50 C ATOM 390 O ASN A 25 -9.087 -11.680 0.699 1.00 0.52 O ATOM 391 CB ASN A 25 -7.085 -13.806 1.598 1.00 0.64 C ATOM 392 CG ASN A 25 -5.868 -13.690 0.698 1.00 0.91 C ATOM 393 OD1 ASN A 25 -5.985 -13.420 -0.496 1.00 1.72 O ATOM 394 ND2 ASN A 25 -4.689 -13.895 1.267 1.00 1.40 N ATOM 0 H ASN A 25 -9.155 -13.387 3.071 1.00 0.43 H new ATOM 0 HA ASN A 25 -6.550 -12.068 2.710 1.00 0.52 H new ATOM 0 HB2 ASN A 25 -6.892 -14.550 2.371 1.00 0.64 H new ATOM 0 HB3 ASN A 25 -7.932 -14.166 1.014 1.00 0.64 H new ATOM 0 HD21 ASN A 25 -3.836 -13.831 0.711 1.00 1.40 H new ATOM 0 HD22 ASN A 25 -4.634 -14.117 2.261 1.00 1.40 H new ATOM 401 N LEU A 26 -7.225 -10.449 0.951 1.00 0.56 N ATOM 402 CA LEU A 26 -7.720 -9.334 0.155 1.00 0.60 C ATOM 403 C LEU A 26 -7.923 -9.697 -1.312 1.00 0.60 C ATOM 404 O LEU A 26 -8.627 -8.986 -2.022 1.00 0.63 O ATOM 405 CB LEU A 26 -6.789 -8.122 0.271 1.00 0.68 C ATOM 406 CG LEU A 26 -7.023 -7.217 1.489 1.00 0.78 C ATOM 407 CD1 LEU A 26 -8.463 -6.733 1.517 1.00 1.36 C ATOM 408 CD2 LEU A 26 -6.677 -7.939 2.784 1.00 1.61 C ATOM 0 H LEU A 26 -6.259 -10.349 1.263 1.00 0.56 H new ATOM 0 HA LEU A 26 -8.698 -9.078 0.563 1.00 0.60 H new ATOM 0 HB2 LEU A 26 -5.760 -8.479 0.299 1.00 0.68 H new ATOM 0 HB3 LEU A 26 -6.893 -7.520 -0.631 1.00 0.68 H new ATOM 0 HG LEU A 26 -6.364 -6.353 1.401 1.00 0.78 H new ATOM 0 HD11 LEU A 26 -8.615 -6.092 2.386 1.00 1.36 H new ATOM 0 HD12 LEU A 26 -8.675 -6.169 0.609 1.00 1.36 H new ATOM 0 HD13 LEU A 26 -9.134 -7.590 1.577 1.00 1.36 H new ATOM 0 HD21 LEU A 26 -6.852 -7.274 3.629 1.00 1.61 H new ATOM 0 HD22 LEU A 26 -7.302 -8.826 2.884 1.00 1.61 H new ATOM 0 HD23 LEU A 26 -5.628 -8.235 2.767 1.00 1.61 H new ATOM 420 N ASP A 27 -7.335 -10.804 -1.761 1.00 0.60 N ATOM 421 CA ASP A 27 -7.434 -11.211 -3.170 1.00 0.61 C ATOM 422 C ASP A 27 -8.891 -11.335 -3.598 1.00 0.64 C ATOM 423 O ASP A 27 -9.252 -10.997 -4.726 1.00 0.71 O ATOM 424 CB ASP A 27 -6.719 -12.547 -3.400 1.00 0.63 C ATOM 425 CG ASP A 27 -6.655 -12.942 -4.866 1.00 0.60 C ATOM 426 OD1 ASP A 27 -7.616 -13.568 -5.362 1.00 0.73 O ATOM 427 OD2 ASP A 27 -5.657 -12.612 -5.540 1.00 0.80 O ATOM 0 H ASP A 27 -6.787 -11.435 -1.177 1.00 0.60 H new ATOM 0 HA ASP A 27 -6.952 -10.440 -3.771 1.00 0.61 H new ATOM 0 HB2 ASP A 27 -5.706 -12.484 -3.002 1.00 0.63 H new ATOM 0 HB3 ASP A 27 -7.233 -13.329 -2.841 1.00 0.63 H new ATOM 432 N TYR A 28 -9.725 -11.775 -2.664 1.00 0.70 N ATOM 433 CA TYR A 28 -11.129 -12.046 -2.934 1.00 0.84 C ATOM 434 C TYR A 28 -11.910 -10.781 -3.290 1.00 0.89 C ATOM 435 O TYR A 28 -12.999 -10.865 -3.845 1.00 1.21 O ATOM 436 CB TYR A 28 -11.769 -12.737 -1.725 1.00 0.96 C ATOM 437 CG TYR A 28 -11.254 -14.143 -1.486 1.00 0.93 C ATOM 438 CD1 TYR A 28 -10.014 -14.356 -0.896 1.00 1.09 C ATOM 439 CD2 TYR A 28 -12.010 -15.254 -1.841 1.00 1.22 C ATOM 440 CE1 TYR A 28 -9.543 -15.636 -0.668 1.00 1.13 C ATOM 441 CE2 TYR A 28 -11.546 -16.535 -1.616 1.00 1.31 C ATOM 442 CZ TYR A 28 -10.308 -16.725 -1.064 1.00 1.08 C ATOM 443 OH TYR A 28 -9.850 -17.998 -0.800 1.00 1.22 O ATOM 0 H TYR A 28 -9.446 -11.953 -1.699 1.00 0.70 H new ATOM 0 HA TYR A 28 -11.172 -12.705 -3.802 1.00 0.84 H new ATOM 0 HB2 TYR A 28 -11.586 -12.136 -0.834 1.00 0.96 H new ATOM 0 HB3 TYR A 28 -12.849 -12.774 -1.868 1.00 0.96 H new ATOM 0 HD1 TYR A 28 -9.408 -13.508 -0.611 1.00 1.09 H new ATOM 0 HD2 TYR A 28 -12.977 -15.113 -2.301 1.00 1.22 H new ATOM 0 HE1 TYR A 28 -8.588 -15.787 -0.186 1.00 1.13 H new ATOM 0 HE2 TYR A 28 -12.159 -17.386 -1.875 1.00 1.31 H new ATOM 0 HH TYR A 28 -10.495 -18.654 -1.136 1.00 1.22 H new ATOM 453 N SER A 29 -11.412 -9.616 -2.904 1.00 0.70 N ATOM 454 CA SER A 29 -12.035 -8.367 -3.330 1.00 0.71 C ATOM 455 C SER A 29 -11.095 -7.523 -4.187 1.00 0.59 C ATOM 456 O SER A 29 -11.479 -7.013 -5.239 1.00 0.61 O ATOM 457 CB SER A 29 -12.465 -7.570 -2.118 1.00 0.81 C ATOM 458 OG SER A 29 -12.887 -8.440 -1.089 1.00 1.03 O ATOM 0 H SER A 29 -10.592 -9.507 -2.307 1.00 0.70 H new ATOM 0 HA SER A 29 -12.903 -8.623 -3.938 1.00 0.71 H new ATOM 0 HB2 SER A 29 -11.638 -6.953 -1.767 1.00 0.81 H new ATOM 0 HB3 SER A 29 -13.276 -6.893 -2.387 1.00 0.81 H new ATOM 0 HG SER A 29 -13.848 -8.608 -1.177 1.00 1.03 H new ATOM 464 N ARG A 30 -9.850 -7.408 -3.727 1.00 0.54 N ATOM 465 CA ARG A 30 -8.880 -6.464 -4.281 1.00 0.52 C ATOM 466 C ARG A 30 -8.636 -6.728 -5.766 1.00 0.42 C ATOM 467 O ARG A 30 -8.400 -5.798 -6.535 1.00 0.40 O ATOM 468 CB ARG A 30 -7.565 -6.552 -3.487 1.00 0.58 C ATOM 469 CG ARG A 30 -6.579 -5.435 -3.774 1.00 0.86 C ATOM 470 CD ARG A 30 -6.623 -4.355 -2.700 1.00 1.15 C ATOM 471 NE ARG A 30 -7.909 -3.657 -2.656 1.00 1.84 N ATOM 472 CZ ARG A 30 -8.030 -2.332 -2.732 1.00 2.40 C ATOM 473 NH1 ARG A 30 -6.949 -1.581 -2.922 1.00 2.56 N ATOM 474 NH2 ARG A 30 -9.229 -1.762 -2.630 1.00 3.30 N ATOM 0 H ARG A 30 -9.484 -7.969 -2.957 1.00 0.54 H new ATOM 0 HA ARG A 30 -9.284 -5.456 -4.192 1.00 0.52 H new ATOM 0 HB2 ARG A 30 -7.798 -6.549 -2.422 1.00 0.58 H new ATOM 0 HB3 ARG A 30 -7.087 -7.507 -3.706 1.00 0.58 H new ATOM 0 HG2 ARG A 30 -5.571 -5.846 -3.836 1.00 0.86 H new ATOM 0 HG3 ARG A 30 -6.803 -4.992 -4.745 1.00 0.86 H new ATOM 0 HD2 ARG A 30 -6.425 -4.806 -1.728 1.00 1.15 H new ATOM 0 HD3 ARG A 30 -5.828 -3.633 -2.884 1.00 1.15 H new ATOM 0 HE ARG A 30 -8.758 -4.215 -2.562 1.00 1.84 H new ATOM 0 HH11 ARG A 30 -6.032 -2.020 -3.009 1.00 2.56 H new ATOM 0 HH12 ARG A 30 -7.037 -0.566 -2.981 1.00 2.56 H new ATOM 0 HH21 ARG A 30 -10.058 -2.340 -2.493 1.00 3.30 H new ATOM 0 HH22 ARG A 30 -9.318 -0.748 -2.689 1.00 3.30 H new ATOM 488 N ARG A 31 -8.726 -7.993 -6.157 1.00 0.42 N ATOM 489 CA ARG A 31 -8.546 -8.395 -7.549 1.00 0.45 C ATOM 490 C ARG A 31 -9.575 -7.729 -8.464 1.00 0.46 C ATOM 491 O ARG A 31 -9.268 -7.357 -9.594 1.00 0.57 O ATOM 492 CB ARG A 31 -8.649 -9.922 -7.659 1.00 0.57 C ATOM 493 CG ARG A 31 -8.643 -10.449 -9.086 1.00 0.83 C ATOM 494 CD ARG A 31 -8.561 -11.969 -9.114 1.00 1.22 C ATOM 495 NE ARG A 31 -7.435 -12.469 -8.321 1.00 1.73 N ATOM 496 CZ ARG A 31 -6.498 -13.296 -8.781 1.00 2.33 C ATOM 497 NH1 ARG A 31 -6.555 -13.767 -10.020 1.00 2.65 N ATOM 498 NH2 ARG A 31 -5.509 -13.670 -7.985 1.00 3.18 N ATOM 0 H ARG A 31 -8.925 -8.767 -5.523 1.00 0.42 H new ATOM 0 HA ARG A 31 -7.558 -8.069 -7.874 1.00 0.45 H new ATOM 0 HB2 ARG A 31 -7.818 -10.371 -7.115 1.00 0.57 H new ATOM 0 HB3 ARG A 31 -9.565 -10.249 -7.167 1.00 0.57 H new ATOM 0 HG2 ARG A 31 -9.547 -10.122 -9.601 1.00 0.83 H new ATOM 0 HG3 ARG A 31 -7.797 -10.027 -9.628 1.00 0.83 H new ATOM 0 HD2 ARG A 31 -9.491 -12.390 -8.731 1.00 1.22 H new ATOM 0 HD3 ARG A 31 -8.458 -12.308 -10.145 1.00 1.22 H new ATOM 0 HE ARG A 31 -7.364 -12.163 -7.351 1.00 1.73 H new ATOM 0 HH11 ARG A 31 -7.324 -13.496 -10.634 1.00 2.65 H new ATOM 0 HH12 ARG A 31 -5.830 -14.400 -10.359 1.00 2.65 H new ATOM 0 HH21 ARG A 31 -5.468 -13.325 -7.026 1.00 3.18 H new ATOM 0 HH22 ARG A 31 -4.788 -14.303 -8.331 1.00 3.18 H new ATOM 512 N PHE A 32 -10.788 -7.561 -7.969 1.00 0.45 N ATOM 513 CA PHE A 32 -11.872 -7.037 -8.790 1.00 0.49 C ATOM 514 C PHE A 32 -11.973 -5.528 -8.644 1.00 0.43 C ATOM 515 O PHE A 32 -12.658 -4.857 -9.417 1.00 0.49 O ATOM 516 CB PHE A 32 -13.196 -7.670 -8.382 1.00 0.59 C ATOM 517 CG PHE A 32 -13.103 -9.137 -8.092 1.00 0.98 C ATOM 518 CD1 PHE A 32 -12.614 -9.999 -9.055 1.00 1.54 C ATOM 519 CD2 PHE A 32 -13.493 -9.656 -6.865 1.00 1.11 C ATOM 520 CE1 PHE A 32 -12.517 -11.348 -8.809 1.00 2.18 C ATOM 521 CE2 PHE A 32 -13.395 -11.011 -6.612 1.00 1.68 C ATOM 522 CZ PHE A 32 -12.955 -11.850 -7.522 1.00 2.21 C ATOM 0 H PHE A 32 -11.050 -7.778 -7.007 1.00 0.45 H new ATOM 0 HA PHE A 32 -11.657 -7.282 -9.830 1.00 0.49 H new ATOM 0 HB2 PHE A 32 -13.575 -7.158 -7.498 1.00 0.59 H new ATOM 0 HB3 PHE A 32 -13.924 -7.512 -9.178 1.00 0.59 H new ATOM 0 HD1 PHE A 32 -12.304 -9.608 -10.013 1.00 1.54 H new ATOM 0 HD2 PHE A 32 -13.876 -8.995 -6.102 1.00 1.11 H new ATOM 0 HE1 PHE A 32 -12.123 -12.019 -9.558 1.00 2.18 H new ATOM 0 HE2 PHE A 32 -13.687 -11.389 -5.643 1.00 1.68 H new ATOM 0 HZ PHE A 32 -12.920 -12.909 -7.312 1.00 2.21 H new ATOM 532 N LEU A 33 -11.283 -5.001 -7.646 1.00 0.41 N ATOM 533 CA LEU A 33 -11.359 -3.584 -7.331 1.00 0.39 C ATOM 534 C LEU A 33 -10.327 -2.791 -8.129 1.00 0.30 C ATOM 535 O LEU A 33 -10.329 -1.564 -8.096 1.00 0.31 O ATOM 536 CB LEU A 33 -11.157 -3.369 -5.823 1.00 0.47 C ATOM 537 CG LEU A 33 -12.162 -4.091 -4.918 1.00 0.63 C ATOM 538 CD1 LEU A 33 -11.901 -3.759 -3.457 1.00 0.74 C ATOM 539 CD2 LEU A 33 -13.590 -3.734 -5.304 1.00 0.72 C ATOM 0 H LEU A 33 -10.662 -5.535 -7.038 1.00 0.41 H new ATOM 0 HA LEU A 33 -12.348 -3.221 -7.609 1.00 0.39 H new ATOM 0 HB2 LEU A 33 -10.152 -3.698 -5.557 1.00 0.47 H new ATOM 0 HB3 LEU A 33 -11.208 -2.300 -5.615 1.00 0.47 H new ATOM 0 HG LEU A 33 -12.033 -5.165 -5.054 1.00 0.63 H new ATOM 0 HD11 LEU A 33 -12.624 -4.281 -2.830 1.00 0.74 H new ATOM 0 HD12 LEU A 33 -10.893 -4.074 -3.187 1.00 0.74 H new ATOM 0 HD13 LEU A 33 -11.998 -2.684 -3.305 1.00 0.74 H new ATOM 0 HD21 LEU A 33 -14.286 -4.258 -4.649 1.00 0.72 H new ATOM 0 HD22 LEU A 33 -13.736 -2.659 -5.203 1.00 0.72 H new ATOM 0 HD23 LEU A 33 -13.772 -4.030 -6.337 1.00 0.72 H new ATOM 551 N GLU A 34 -9.468 -3.505 -8.859 1.00 0.27 N ATOM 552 CA GLU A 34 -8.405 -2.890 -9.663 1.00 0.25 C ATOM 553 C GLU A 34 -8.867 -1.681 -10.484 1.00 0.25 C ATOM 554 O GLU A 34 -8.238 -0.626 -10.409 1.00 0.26 O ATOM 555 CB GLU A 34 -7.770 -3.917 -10.595 1.00 0.28 C ATOM 556 CG GLU A 34 -6.639 -4.686 -9.955 1.00 0.35 C ATOM 557 CD GLU A 34 -5.991 -5.656 -10.914 1.00 0.48 C ATOM 558 OE1 GLU A 34 -6.587 -6.718 -11.182 1.00 0.65 O ATOM 559 OE2 GLU A 34 -4.889 -5.355 -11.411 1.00 0.71 O ATOM 0 H GLU A 34 -9.488 -4.523 -8.911 1.00 0.27 H new ATOM 0 HA GLU A 34 -7.673 -2.525 -8.943 1.00 0.25 H new ATOM 0 HB2 GLU A 34 -8.535 -4.619 -10.926 1.00 0.28 H new ATOM 0 HB3 GLU A 34 -7.397 -3.409 -11.484 1.00 0.28 H new ATOM 0 HG2 GLU A 34 -5.889 -3.986 -9.588 1.00 0.35 H new ATOM 0 HG3 GLU A 34 -7.017 -5.231 -9.090 1.00 0.35 H new ATOM 566 N PRO A 35 -9.946 -1.798 -11.294 1.00 0.28 N ATOM 567 CA PRO A 35 -10.402 -0.685 -12.134 1.00 0.33 C ATOM 568 C PRO A 35 -10.785 0.554 -11.321 1.00 0.32 C ATOM 569 O PRO A 35 -10.811 1.667 -11.844 1.00 0.36 O ATOM 570 CB PRO A 35 -11.627 -1.243 -12.866 1.00 0.41 C ATOM 571 CG PRO A 35 -12.043 -2.436 -12.078 1.00 0.54 C ATOM 572 CD PRO A 35 -10.783 -2.996 -11.484 1.00 0.30 C ATOM 0 HA PRO A 35 -9.611 -0.349 -12.804 1.00 0.33 H new ATOM 0 HB2 PRO A 35 -12.427 -0.504 -12.914 1.00 0.41 H new ATOM 0 HB3 PRO A 35 -11.382 -1.515 -13.893 1.00 0.41 H new ATOM 0 HG2 PRO A 35 -12.754 -2.161 -11.299 1.00 0.54 H new ATOM 0 HG3 PRO A 35 -12.536 -3.172 -12.714 1.00 0.54 H new ATOM 0 HD2 PRO A 35 -10.974 -3.509 -10.541 1.00 0.30 H new ATOM 0 HD3 PRO A 35 -10.309 -3.718 -12.149 1.00 0.30 H new ATOM 580 N PHE A 36 -11.079 0.350 -10.042 1.00 0.32 N ATOM 581 CA PHE A 36 -11.408 1.452 -9.150 1.00 0.36 C ATOM 582 C PHE A 36 -10.132 2.114 -8.639 1.00 0.34 C ATOM 583 O PHE A 36 -10.021 3.339 -8.630 1.00 0.37 O ATOM 584 CB PHE A 36 -12.259 0.954 -7.975 1.00 0.44 C ATOM 585 CG PHE A 36 -12.562 2.015 -6.953 1.00 0.51 C ATOM 586 CD1 PHE A 36 -13.578 2.931 -7.165 1.00 0.58 C ATOM 587 CD2 PHE A 36 -11.827 2.094 -5.781 1.00 0.57 C ATOM 588 CE1 PHE A 36 -13.856 3.907 -6.229 1.00 0.67 C ATOM 589 CE2 PHE A 36 -12.098 3.069 -4.842 1.00 0.67 C ATOM 590 CZ PHE A 36 -13.114 3.977 -5.066 1.00 0.72 C ATOM 0 H PHE A 36 -11.096 -0.569 -9.601 1.00 0.32 H new ATOM 0 HA PHE A 36 -11.986 2.190 -9.706 1.00 0.36 H new ATOM 0 HB2 PHE A 36 -13.197 0.556 -8.361 1.00 0.44 H new ATOM 0 HB3 PHE A 36 -11.740 0.129 -7.486 1.00 0.44 H new ATOM 0 HD1 PHE A 36 -14.160 2.882 -8.073 1.00 0.58 H new ATOM 0 HD2 PHE A 36 -11.033 1.385 -5.600 1.00 0.57 H new ATOM 0 HE1 PHE A 36 -14.652 4.615 -6.406 1.00 0.67 H new ATOM 0 HE2 PHE A 36 -11.516 3.122 -3.934 1.00 0.67 H new ATOM 0 HZ PHE A 36 -13.328 4.741 -4.333 1.00 0.72 H new ATOM 600 N LEU A 37 -9.172 1.293 -8.224 1.00 0.32 N ATOM 601 CA LEU A 37 -7.896 1.793 -7.714 1.00 0.34 C ATOM 602 C LEU A 37 -7.098 2.455 -8.826 1.00 0.30 C ATOM 603 O LEU A 37 -6.294 3.352 -8.576 1.00 0.31 O ATOM 604 CB LEU A 37 -7.059 0.665 -7.094 1.00 0.39 C ATOM 605 CG LEU A 37 -7.497 0.168 -5.711 1.00 0.47 C ATOM 606 CD1 LEU A 37 -7.565 1.308 -4.719 1.00 1.04 C ATOM 607 CD2 LEU A 37 -8.829 -0.544 -5.779 1.00 0.90 C ATOM 0 H LEU A 37 -9.252 0.276 -8.230 1.00 0.32 H new ATOM 0 HA LEU A 37 -8.122 2.527 -6.940 1.00 0.34 H new ATOM 0 HB2 LEU A 37 -7.068 -0.182 -7.779 1.00 0.39 H new ATOM 0 HB3 LEU A 37 -6.026 1.006 -7.022 1.00 0.39 H new ATOM 0 HG LEU A 37 -6.746 -0.544 -5.369 1.00 0.47 H new ATOM 0 HD11 LEU A 37 -7.878 0.926 -3.747 1.00 1.04 H new ATOM 0 HD12 LEU A 37 -6.582 1.770 -4.628 1.00 1.04 H new ATOM 0 HD13 LEU A 37 -8.284 2.050 -5.066 1.00 1.04 H new ATOM 0 HD21 LEU A 37 -9.111 -0.884 -4.783 1.00 0.90 H new ATOM 0 HD22 LEU A 37 -9.588 0.140 -6.158 1.00 0.90 H new ATOM 0 HD23 LEU A 37 -8.749 -1.402 -6.446 1.00 0.90 H new ATOM 619 N ARG A 38 -7.318 1.994 -10.049 1.00 0.30 N ATOM 620 CA ARG A 38 -6.646 2.552 -11.205 1.00 0.34 C ATOM 621 C ARG A 38 -7.104 3.984 -11.439 1.00 0.34 C ATOM 622 O ARG A 38 -8.178 4.227 -11.992 1.00 0.43 O ATOM 623 CB ARG A 38 -6.913 1.697 -12.443 1.00 0.45 C ATOM 624 CG ARG A 38 -6.178 2.183 -13.680 1.00 0.56 C ATOM 625 CD ARG A 38 -6.316 1.204 -14.832 1.00 0.90 C ATOM 626 NE ARG A 38 -5.581 1.645 -16.014 1.00 1.91 N ATOM 627 CZ ARG A 38 -5.498 0.944 -17.143 1.00 2.44 C ATOM 628 NH1 ARG A 38 -6.033 -0.270 -17.218 1.00 2.16 N ATOM 629 NH2 ARG A 38 -4.865 1.452 -18.192 1.00 3.59 N ATOM 0 H ARG A 38 -7.961 1.231 -10.263 1.00 0.30 H new ATOM 0 HA ARG A 38 -5.573 2.556 -11.015 1.00 0.34 H new ATOM 0 HB2 ARG A 38 -6.619 0.668 -12.235 1.00 0.45 H new ATOM 0 HB3 ARG A 38 -7.984 1.688 -12.646 1.00 0.45 H new ATOM 0 HG2 ARG A 38 -6.570 3.155 -13.979 1.00 0.56 H new ATOM 0 HG3 ARG A 38 -5.123 2.324 -13.445 1.00 0.56 H new ATOM 0 HD2 ARG A 38 -5.951 0.225 -14.522 1.00 0.90 H new ATOM 0 HD3 ARG A 38 -7.370 1.086 -15.083 1.00 0.90 H new ATOM 0 HE ARG A 38 -5.102 2.545 -15.972 1.00 1.91 H new ATOM 0 HH11 ARG A 38 -6.510 -0.668 -16.409 1.00 2.16 H new ATOM 0 HH12 ARG A 38 -5.967 -0.804 -18.085 1.00 2.16 H new ATOM 0 HH21 ARG A 38 -4.443 2.379 -18.133 1.00 3.59 H new ATOM 0 HH22 ARG A 38 -4.801 0.916 -19.057 1.00 3.59 H new ATOM 643 N GLY A 39 -6.296 4.926 -10.988 1.00 0.29 N ATOM 644 CA GLY A 39 -6.617 6.320 -11.161 1.00 0.29 C ATOM 645 C GLY A 39 -7.203 6.942 -9.910 1.00 0.28 C ATOM 646 O GLY A 39 -8.160 7.712 -9.987 1.00 0.38 O ATOM 0 H GLY A 39 -5.417 4.747 -10.502 1.00 0.29 H new ATOM 0 HA2 GLY A 39 -5.716 6.864 -11.445 1.00 0.29 H new ATOM 0 HA3 GLY A 39 -7.326 6.427 -11.982 1.00 0.29 H new ATOM 650 N ILE A 40 -6.660 6.594 -8.747 1.00 0.26 N ATOM 651 CA ILE A 40 -7.064 7.263 -7.507 1.00 0.25 C ATOM 652 C ILE A 40 -5.901 8.049 -6.923 1.00 0.26 C ATOM 653 O ILE A 40 -4.768 7.951 -7.392 1.00 0.32 O ATOM 654 CB ILE A 40 -7.600 6.308 -6.405 1.00 0.23 C ATOM 655 CG1 ILE A 40 -6.547 5.273 -6.011 1.00 0.21 C ATOM 656 CG2 ILE A 40 -8.889 5.625 -6.837 1.00 0.24 C ATOM 657 CD1 ILE A 40 -6.862 4.552 -4.715 1.00 0.23 C ATOM 0 H ILE A 40 -5.953 5.868 -8.633 1.00 0.26 H new ATOM 0 HA ILE A 40 -7.885 7.917 -7.799 1.00 0.25 H new ATOM 0 HB ILE A 40 -7.823 6.917 -5.529 1.00 0.23 H new ATOM 0 HG12 ILE A 40 -6.453 4.540 -6.812 1.00 0.21 H new ATOM 0 HG13 ILE A 40 -5.580 5.768 -5.916 1.00 0.21 H new ATOM 0 HG21 ILE A 40 -9.235 4.965 -6.042 1.00 0.24 H new ATOM 0 HG22 ILE A 40 -9.650 6.379 -7.040 1.00 0.24 H new ATOM 0 HG23 ILE A 40 -8.707 5.042 -7.740 1.00 0.24 H new ATOM 0 HD11 ILE A 40 -6.072 3.833 -4.498 1.00 0.23 H new ATOM 0 HD12 ILE A 40 -6.927 5.276 -3.903 1.00 0.23 H new ATOM 0 HD13 ILE A 40 -7.813 4.028 -4.812 1.00 0.23 H new ATOM 669 N ASN A 41 -6.194 8.833 -5.905 1.00 0.31 N ATOM 670 CA ASN A 41 -5.176 9.572 -5.182 1.00 0.33 C ATOM 671 C ASN A 41 -5.211 9.172 -3.723 1.00 0.32 C ATOM 672 O ASN A 41 -6.281 9.143 -3.107 1.00 0.40 O ATOM 673 CB ASN A 41 -5.397 11.079 -5.350 1.00 0.43 C ATOM 674 CG ASN A 41 -4.844 11.926 -4.213 1.00 1.11 C ATOM 675 OD1 ASN A 41 -3.824 11.607 -3.605 1.00 1.99 O ATOM 676 ND2 ASN A 41 -5.521 13.023 -3.923 1.00 1.65 N ATOM 0 H ASN A 41 -7.142 8.976 -5.556 1.00 0.31 H new ATOM 0 HA ASN A 41 -4.192 9.334 -5.585 1.00 0.33 H new ATOM 0 HB2 ASN A 41 -4.935 11.400 -6.284 1.00 0.43 H new ATOM 0 HB3 ASN A 41 -6.466 11.269 -5.442 1.00 0.43 H new ATOM 0 HD21 ASN A 41 -5.201 13.636 -3.173 1.00 1.65 H new ATOM 0 HD22 ASN A 41 -6.363 13.256 -4.449 1.00 1.65 H new ATOM 683 N VAL A 42 -4.053 8.848 -3.176 1.00 0.29 N ATOM 684 CA VAL A 42 -3.981 8.424 -1.799 1.00 0.31 C ATOM 685 C VAL A 42 -2.999 9.282 -1.027 1.00 0.23 C ATOM 686 O VAL A 42 -1.927 9.626 -1.529 1.00 0.23 O ATOM 687 CB VAL A 42 -3.571 6.938 -1.654 1.00 0.39 C ATOM 688 CG1 VAL A 42 -4.629 6.020 -2.233 1.00 0.66 C ATOM 689 CG2 VAL A 42 -2.221 6.673 -2.306 1.00 0.93 C ATOM 0 H VAL A 42 -3.158 8.872 -3.665 1.00 0.29 H new ATOM 0 HA VAL A 42 -4.985 8.540 -1.390 1.00 0.31 H new ATOM 0 HB VAL A 42 -3.481 6.726 -0.589 1.00 0.39 H new ATOM 0 HG11 VAL A 42 -4.314 4.983 -2.117 1.00 0.66 H new ATOM 0 HG12 VAL A 42 -5.571 6.174 -1.707 1.00 0.66 H new ATOM 0 HG13 VAL A 42 -4.764 6.242 -3.292 1.00 0.66 H new ATOM 0 HG21 VAL A 42 -1.960 5.621 -2.188 1.00 0.93 H new ATOM 0 HG22 VAL A 42 -2.275 6.916 -3.367 1.00 0.93 H new ATOM 0 HG23 VAL A 42 -1.460 7.291 -1.830 1.00 0.93 H new ATOM 699 N VAL A 43 -3.376 9.646 0.181 1.00 0.21 N ATOM 700 CA VAL A 43 -2.451 10.279 1.090 1.00 0.19 C ATOM 701 C VAL A 43 -1.762 9.186 1.882 1.00 0.21 C ATOM 702 O VAL A 43 -2.355 8.584 2.780 1.00 0.24 O ATOM 703 CB VAL A 43 -3.162 11.255 2.048 1.00 0.22 C ATOM 704 CG1 VAL A 43 -2.155 11.966 2.943 1.00 0.22 C ATOM 705 CG2 VAL A 43 -3.990 12.265 1.265 1.00 0.25 C ATOM 0 H VAL A 43 -4.316 9.513 0.553 1.00 0.21 H new ATOM 0 HA VAL A 43 -1.731 10.865 0.518 1.00 0.19 H new ATOM 0 HB VAL A 43 -3.833 10.678 2.684 1.00 0.22 H new ATOM 0 HG11 VAL A 43 -2.680 12.649 3.610 1.00 0.22 H new ATOM 0 HG12 VAL A 43 -1.610 11.230 3.533 1.00 0.22 H new ATOM 0 HG13 VAL A 43 -1.454 12.528 2.327 1.00 0.22 H new ATOM 0 HG21 VAL A 43 -4.484 12.946 1.958 1.00 0.25 H new ATOM 0 HG22 VAL A 43 -3.338 12.833 0.601 1.00 0.25 H new ATOM 0 HG23 VAL A 43 -4.741 11.740 0.674 1.00 0.25 H new ATOM 715 N TYR A 44 -0.528 8.903 1.526 1.00 0.22 N ATOM 716 CA TYR A 44 0.191 7.813 2.144 1.00 0.26 C ATOM 717 C TYR A 44 0.798 8.273 3.452 1.00 0.31 C ATOM 718 O TYR A 44 1.647 9.165 3.468 1.00 0.37 O ATOM 719 CB TYR A 44 1.277 7.279 1.212 1.00 0.31 C ATOM 720 CG TYR A 44 1.780 5.919 1.623 1.00 0.52 C ATOM 721 CD1 TYR A 44 1.010 4.778 1.441 1.00 0.36 C ATOM 722 CD2 TYR A 44 3.039 5.781 2.187 1.00 1.24 C ATOM 723 CE1 TYR A 44 1.486 3.535 1.814 1.00 0.71 C ATOM 724 CE2 TYR A 44 3.523 4.546 2.559 1.00 1.69 C ATOM 725 CZ TYR A 44 2.673 3.405 2.392 1.00 1.41 C ATOM 726 OH TYR A 44 3.221 2.190 2.736 1.00 1.85 O ATOM 0 H TYR A 44 -0.004 9.411 0.814 1.00 0.22 H new ATOM 0 HA TYR A 44 -0.511 7.003 2.343 1.00 0.26 H new ATOM 0 HB2 TYR A 44 0.884 7.225 0.197 1.00 0.31 H new ATOM 0 HB3 TYR A 44 2.111 7.980 1.194 1.00 0.31 H new ATOM 0 HD1 TYR A 44 0.027 4.863 1.002 1.00 0.36 H new ATOM 0 HD2 TYR A 44 3.651 6.658 2.337 1.00 1.24 H new ATOM 0 HE1 TYR A 44 0.883 2.657 1.632 1.00 0.71 H new ATOM 0 HE2 TYR A 44 4.518 4.441 2.966 1.00 1.69 H new ATOM 0 HH TYR A 44 4.173 2.305 2.936 1.00 1.85 H new ATOM 736 N THR A 45 0.343 7.677 4.541 1.00 0.32 N ATOM 737 CA THR A 45 0.821 8.038 5.857 1.00 0.39 C ATOM 738 C THR A 45 1.910 7.067 6.308 1.00 0.41 C ATOM 739 O THR A 45 1.629 5.928 6.680 1.00 0.44 O ATOM 740 CB THR A 45 -0.335 8.038 6.874 1.00 0.47 C ATOM 741 OG1 THR A 45 -1.465 8.733 6.325 1.00 1.27 O ATOM 742 CG2 THR A 45 0.093 8.710 8.173 1.00 0.96 C ATOM 0 H THR A 45 -0.360 6.938 4.535 1.00 0.32 H new ATOM 0 HA THR A 45 1.239 9.043 5.805 1.00 0.39 H new ATOM 0 HB THR A 45 -0.608 7.004 7.087 1.00 0.47 H new ATOM 0 HG1 THR A 45 -2.193 8.743 6.981 1.00 1.27 H new ATOM 0 HG21 THR A 45 -0.738 8.700 8.879 1.00 0.96 H new ATOM 0 HG22 THR A 45 0.939 8.171 8.600 1.00 0.96 H new ATOM 0 HG23 THR A 45 0.385 9.741 7.971 1.00 0.96 H new ATOM 750 N PRO A 46 3.173 7.507 6.267 1.00 0.45 N ATOM 751 CA PRO A 46 4.310 6.686 6.628 1.00 0.51 C ATOM 752 C PRO A 46 4.655 6.789 8.111 1.00 0.52 C ATOM 753 O PRO A 46 4.635 7.875 8.694 1.00 0.57 O ATOM 754 CB PRO A 46 5.443 7.265 5.767 1.00 0.56 C ATOM 755 CG PRO A 46 4.984 8.621 5.309 1.00 0.58 C ATOM 756 CD PRO A 46 3.602 8.848 5.864 1.00 0.51 C ATOM 0 HA PRO A 46 4.123 5.626 6.458 1.00 0.51 H new ATOM 0 HB2 PRO A 46 6.366 7.342 6.342 1.00 0.56 H new ATOM 0 HB3 PRO A 46 5.651 6.618 4.915 1.00 0.56 H new ATOM 0 HG2 PRO A 46 5.668 9.394 5.658 1.00 0.58 H new ATOM 0 HG3 PRO A 46 4.972 8.673 4.220 1.00 0.58 H new ATOM 0 HD2 PRO A 46 3.617 9.536 6.709 1.00 0.51 H new ATOM 0 HD3 PRO A 46 2.934 9.276 5.116 1.00 0.51 H new ATOM 764 N PRO A 47 4.939 5.642 8.749 1.00 0.60 N ATOM 765 CA PRO A 47 5.442 5.600 10.124 1.00 0.68 C ATOM 766 C PRO A 47 6.698 6.455 10.287 1.00 0.62 C ATOM 767 O PRO A 47 7.507 6.575 9.365 1.00 0.56 O ATOM 768 CB PRO A 47 5.771 4.122 10.338 1.00 0.82 C ATOM 769 CG PRO A 47 4.886 3.398 9.386 1.00 0.86 C ATOM 770 CD PRO A 47 4.759 4.291 8.186 1.00 0.73 C ATOM 0 HA PRO A 47 4.722 5.993 10.842 1.00 0.68 H new ATOM 0 HB2 PRO A 47 6.822 3.917 10.136 1.00 0.82 H new ATOM 0 HB3 PRO A 47 5.579 3.818 11.367 1.00 0.82 H new ATOM 0 HG2 PRO A 47 5.313 2.433 9.112 1.00 0.86 H new ATOM 0 HG3 PRO A 47 3.911 3.200 9.831 1.00 0.86 H new ATOM 0 HD2 PRO A 47 5.515 4.064 7.434 1.00 0.73 H new ATOM 0 HD3 PRO A 47 3.787 4.182 7.704 1.00 0.73 H new ATOM 778 N GLN A 48 6.857 7.028 11.473 1.00 0.73 N ATOM 779 CA GLN A 48 7.925 7.988 11.755 1.00 0.79 C ATOM 780 C GLN A 48 9.327 7.404 11.551 1.00 0.67 C ATOM 781 O GLN A 48 10.309 8.143 11.500 1.00 0.73 O ATOM 782 CB GLN A 48 7.755 8.532 13.178 1.00 1.03 C ATOM 783 CG GLN A 48 7.627 7.457 14.253 1.00 0.91 C ATOM 784 CD GLN A 48 8.964 6.896 14.699 1.00 1.24 C ATOM 785 OE1 GLN A 48 9.075 5.721 15.047 1.00 1.91 O ATOM 786 NE2 GLN A 48 9.981 7.740 14.719 1.00 1.84 N ATOM 0 H GLN A 48 6.249 6.842 12.271 1.00 0.73 H new ATOM 0 HA GLN A 48 7.836 8.802 11.036 1.00 0.79 H new ATOM 0 HB2 GLN A 48 8.609 9.166 13.416 1.00 1.03 H new ATOM 0 HB3 GLN A 48 6.869 9.166 13.208 1.00 1.03 H new ATOM 0 HG2 GLN A 48 7.110 7.875 15.116 1.00 0.91 H new ATOM 0 HG3 GLN A 48 7.008 6.644 13.873 1.00 0.91 H new ATOM 0 HE21 GLN A 48 9.847 8.707 14.422 1.00 1.84 H new ATOM 0 HE22 GLN A 48 10.899 7.425 15.031 1.00 1.84 H new ATOM 795 N SER A 49 9.420 6.086 11.419 1.00 0.60 N ATOM 796 CA SER A 49 10.703 5.439 11.184 1.00 0.59 C ATOM 797 C SER A 49 11.088 5.520 9.705 1.00 0.62 C ATOM 798 O SER A 49 12.202 5.157 9.329 1.00 0.71 O ATOM 799 CB SER A 49 10.660 3.979 11.651 1.00 0.71 C ATOM 800 OG SER A 49 11.939 3.367 11.560 1.00 1.55 O ATOM 0 H SER A 49 8.626 5.448 11.471 1.00 0.60 H new ATOM 0 HA SER A 49 11.463 5.965 11.762 1.00 0.59 H new ATOM 0 HB2 SER A 49 10.307 3.935 12.681 1.00 0.71 H new ATOM 0 HB3 SER A 49 9.945 3.423 11.045 1.00 0.71 H new ATOM 0 HG SER A 49 12.479 3.836 10.891 1.00 1.55 H new ATOM 806 N PHE A 50 10.163 5.993 8.871 1.00 0.62 N ATOM 807 CA PHE A 50 10.438 6.195 7.450 1.00 0.66 C ATOM 808 C PHE A 50 11.047 7.568 7.214 1.00 0.67 C ATOM 809 O PHE A 50 11.578 7.850 6.140 1.00 0.79 O ATOM 810 CB PHE A 50 9.161 6.061 6.614 1.00 0.69 C ATOM 811 CG PHE A 50 8.736 4.646 6.346 1.00 0.71 C ATOM 812 CD1 PHE A 50 8.103 3.899 7.324 1.00 0.80 C ATOM 813 CD2 PHE A 50 8.956 4.071 5.106 1.00 0.91 C ATOM 814 CE1 PHE A 50 7.698 2.602 7.069 1.00 0.89 C ATOM 815 CE2 PHE A 50 8.556 2.777 4.845 1.00 1.01 C ATOM 816 CZ PHE A 50 7.925 2.041 5.828 1.00 0.93 C ATOM 0 H PHE A 50 9.216 6.244 9.156 1.00 0.62 H new ATOM 0 HA PHE A 50 11.144 5.425 7.141 1.00 0.66 H new ATOM 0 HB2 PHE A 50 8.351 6.579 7.127 1.00 0.69 H new ATOM 0 HB3 PHE A 50 9.311 6.568 5.661 1.00 0.69 H new ATOM 0 HD1 PHE A 50 7.924 4.334 8.296 1.00 0.80 H new ATOM 0 HD2 PHE A 50 9.447 4.643 4.333 1.00 0.91 H new ATOM 0 HE1 PHE A 50 7.205 2.028 7.840 1.00 0.89 H new ATOM 0 HE2 PHE A 50 8.736 2.340 3.874 1.00 1.01 H new ATOM 0 HZ PHE A 50 7.609 1.028 5.627 1.00 0.93 H new ATOM 826 N GLN A 51 10.942 8.421 8.235 1.00 0.62 N ATOM 827 CA GLN A 51 11.461 9.787 8.185 1.00 0.70 C ATOM 828 C GLN A 51 10.809 10.574 7.049 1.00 0.62 C ATOM 829 O GLN A 51 11.396 11.510 6.501 1.00 0.72 O ATOM 830 CB GLN A 51 12.985 9.769 8.032 1.00 0.93 C ATOM 831 CG GLN A 51 13.673 8.953 9.113 1.00 1.08 C ATOM 832 CD GLN A 51 15.181 8.935 8.976 1.00 1.45 C ATOM 833 OE1 GLN A 51 15.790 9.887 8.484 1.00 1.53 O ATOM 834 NE2 GLN A 51 15.794 7.848 9.412 1.00 2.20 N ATOM 0 H GLN A 51 10.494 8.183 9.120 1.00 0.62 H new ATOM 0 HA GLN A 51 11.214 10.286 9.122 1.00 0.70 H new ATOM 0 HB2 GLN A 51 13.243 9.361 7.055 1.00 0.93 H new ATOM 0 HB3 GLN A 51 13.361 10.792 8.060 1.00 0.93 H new ATOM 0 HG2 GLN A 51 13.408 9.358 10.090 1.00 1.08 H new ATOM 0 HG3 GLN A 51 13.299 7.930 9.080 1.00 1.08 H new ATOM 0 HE21 GLN A 51 15.252 7.083 9.813 1.00 2.20 H new ATOM 0 HE22 GLN A 51 16.809 7.775 9.348 1.00 2.20 H new ATOM 843 N SER A 52 9.582 10.194 6.719 1.00 0.51 N ATOM 844 CA SER A 52 8.858 10.794 5.613 1.00 0.50 C ATOM 845 C SER A 52 7.492 11.292 6.077 1.00 0.48 C ATOM 846 O SER A 52 6.924 10.770 7.038 1.00 0.54 O ATOM 847 CB SER A 52 8.693 9.770 4.488 1.00 0.53 C ATOM 848 OG SER A 52 9.949 9.253 4.080 1.00 1.18 O ATOM 0 H SER A 52 9.065 9.464 7.210 1.00 0.51 H new ATOM 0 HA SER A 52 9.426 11.646 5.240 1.00 0.50 H new ATOM 0 HB2 SER A 52 8.053 8.955 4.825 1.00 0.53 H new ATOM 0 HB3 SER A 52 8.195 10.236 3.638 1.00 0.53 H new ATOM 0 HG SER A 52 10.351 8.750 4.819 1.00 1.18 H new ATOM 854 N ALA A 53 6.971 12.298 5.389 1.00 0.54 N ATOM 855 CA ALA A 53 5.687 12.887 5.739 1.00 0.60 C ATOM 856 C ALA A 53 4.609 12.423 4.766 1.00 0.51 C ATOM 857 O ALA A 53 4.908 12.137 3.604 1.00 0.50 O ATOM 858 CB ALA A 53 5.796 14.404 5.733 1.00 0.80 C ATOM 0 H ALA A 53 7.422 12.725 4.580 1.00 0.54 H new ATOM 0 HA ALA A 53 5.407 12.560 6.740 1.00 0.60 H new ATOM 0 HB1 ALA A 53 4.832 14.839 5.996 1.00 0.80 H new ATOM 0 HB2 ALA A 53 6.546 14.718 6.459 1.00 0.80 H new ATOM 0 HB3 ALA A 53 6.089 14.744 4.740 1.00 0.80 H new ATOM 864 N PRO A 54 3.344 12.329 5.231 1.00 0.50 N ATOM 865 CA PRO A 54 2.216 11.908 4.389 1.00 0.43 C ATOM 866 C PRO A 54 2.150 12.693 3.084 1.00 0.38 C ATOM 867 O PRO A 54 2.220 13.922 3.088 1.00 0.41 O ATOM 868 CB PRO A 54 0.995 12.210 5.258 1.00 0.47 C ATOM 869 CG PRO A 54 1.496 12.126 6.657 1.00 0.63 C ATOM 870 CD PRO A 54 2.917 12.621 6.615 1.00 0.57 C ATOM 0 HA PRO A 54 2.294 10.863 4.090 1.00 0.43 H new ATOM 0 HB2 PRO A 54 0.590 13.198 5.041 1.00 0.47 H new ATOM 0 HB3 PRO A 54 0.195 11.491 5.080 1.00 0.47 H new ATOM 0 HG2 PRO A 54 0.889 12.736 7.327 1.00 0.63 H new ATOM 0 HG3 PRO A 54 1.450 11.102 7.028 1.00 0.63 H new ATOM 0 HD2 PRO A 54 2.977 13.686 6.837 1.00 0.57 H new ATOM 0 HD3 PRO A 54 3.543 12.107 7.345 1.00 0.57 H new ATOM 878 N ARG A 55 2.004 11.982 1.975 1.00 0.37 N ATOM 879 CA ARG A 55 2.077 12.607 0.659 1.00 0.40 C ATOM 880 C ARG A 55 1.093 11.975 -0.317 1.00 0.31 C ATOM 881 O ARG A 55 0.599 10.869 -0.095 1.00 0.31 O ATOM 882 CB ARG A 55 3.509 12.516 0.120 1.00 0.60 C ATOM 883 CG ARG A 55 4.064 11.102 0.088 1.00 1.07 C ATOM 884 CD ARG A 55 5.563 11.095 -0.177 1.00 1.04 C ATOM 885 NE ARG A 55 5.909 11.671 -1.478 1.00 1.50 N ATOM 886 CZ ARG A 55 7.151 11.712 -1.962 1.00 1.68 C ATOM 887 NH1 ARG A 55 8.153 11.196 -1.262 1.00 1.47 N ATOM 888 NH2 ARG A 55 7.391 12.262 -3.148 1.00 2.51 N ATOM 0 H ARG A 55 1.835 10.976 1.958 1.00 0.37 H new ATOM 0 HA ARG A 55 1.800 13.656 0.764 1.00 0.40 H new ATOM 0 HB2 ARG A 55 3.535 12.929 -0.888 1.00 0.60 H new ATOM 0 HB3 ARG A 55 4.159 13.138 0.736 1.00 0.60 H new ATOM 0 HG2 ARG A 55 3.859 10.609 1.038 1.00 1.07 H new ATOM 0 HG3 ARG A 55 3.554 10.528 -0.686 1.00 1.07 H new ATOM 0 HD2 ARG A 55 6.070 11.654 0.610 1.00 1.04 H new ATOM 0 HD3 ARG A 55 5.932 10.070 -0.128 1.00 1.04 H new ATOM 0 HE ARG A 55 5.158 12.063 -2.046 1.00 1.50 H new ATOM 0 HH11 ARG A 55 7.973 10.768 -0.354 1.00 1.47 H new ATOM 0 HH12 ARG A 55 9.103 11.227 -1.632 1.00 1.47 H new ATOM 0 HH21 ARG A 55 6.623 12.655 -3.693 1.00 2.51 H new ATOM 0 HH22 ARG A 55 8.343 12.291 -3.514 1.00 2.51 H new ATOM 902 N VAL A 56 0.823 12.703 -1.394 1.00 0.35 N ATOM 903 CA VAL A 56 -0.145 12.297 -2.407 1.00 0.35 C ATOM 904 C VAL A 56 0.468 11.323 -3.409 1.00 0.38 C ATOM 905 O VAL A 56 1.567 11.555 -3.915 1.00 0.53 O ATOM 906 CB VAL A 56 -0.675 13.541 -3.166 1.00 0.49 C ATOM 907 CG1 VAL A 56 -1.394 13.155 -4.449 1.00 1.13 C ATOM 908 CG2 VAL A 56 -1.592 14.357 -2.270 1.00 1.25 C ATOM 0 H VAL A 56 1.272 13.597 -1.591 1.00 0.35 H new ATOM 0 HA VAL A 56 -0.966 11.795 -1.895 1.00 0.35 H new ATOM 0 HB VAL A 56 0.186 14.150 -3.442 1.00 0.49 H new ATOM 0 HG11 VAL A 56 -1.750 14.054 -4.951 1.00 1.13 H new ATOM 0 HG12 VAL A 56 -0.706 12.621 -5.105 1.00 1.13 H new ATOM 0 HG13 VAL A 56 -2.242 12.512 -4.212 1.00 1.13 H new ATOM 0 HG21 VAL A 56 -1.956 15.227 -2.817 1.00 1.25 H new ATOM 0 HG22 VAL A 56 -2.438 13.744 -1.960 1.00 1.25 H new ATOM 0 HG23 VAL A 56 -1.041 14.687 -1.389 1.00 1.25 H new ATOM 918 N TYR A 57 -0.242 10.236 -3.693 1.00 0.30 N ATOM 919 CA TYR A 57 0.174 9.309 -4.730 1.00 0.33 C ATOM 920 C TYR A 57 -0.979 9.031 -5.672 1.00 0.29 C ATOM 921 O TYR A 57 -2.113 8.834 -5.239 1.00 0.25 O ATOM 922 CB TYR A 57 0.670 7.984 -4.141 1.00 0.36 C ATOM 923 CG TYR A 57 2.039 8.061 -3.513 1.00 0.47 C ATOM 924 CD1 TYR A 57 3.182 8.025 -4.302 1.00 0.70 C ATOM 925 CD2 TYR A 57 2.194 8.155 -2.136 1.00 0.46 C ATOM 926 CE1 TYR A 57 4.439 8.081 -3.738 1.00 0.82 C ATOM 927 CE2 TYR A 57 3.449 8.214 -1.565 1.00 0.56 C ATOM 928 CZ TYR A 57 4.567 8.175 -2.370 1.00 0.70 C ATOM 929 OH TYR A 57 5.816 8.231 -1.805 1.00 0.83 O ATOM 0 H TYR A 57 -1.107 9.979 -3.218 1.00 0.30 H new ATOM 0 HA TYR A 57 0.997 9.775 -5.272 1.00 0.33 H new ATOM 0 HB2 TYR A 57 -0.043 7.643 -3.390 1.00 0.36 H new ATOM 0 HB3 TYR A 57 0.686 7.232 -4.930 1.00 0.36 H new ATOM 0 HD1 TYR A 57 3.084 7.952 -5.375 1.00 0.70 H new ATOM 0 HD2 TYR A 57 1.320 8.182 -1.503 1.00 0.46 H new ATOM 0 HE1 TYR A 57 5.318 8.051 -4.365 1.00 0.82 H new ATOM 0 HE2 TYR A 57 3.554 8.290 -0.493 1.00 0.56 H new ATOM 0 HH TYR A 57 6.294 9.017 -2.144 1.00 0.83 H new ATOM 939 N ARG A 58 -0.687 9.025 -6.955 1.00 0.36 N ATOM 940 CA ARG A 58 -1.667 8.655 -7.956 1.00 0.34 C ATOM 941 C ARG A 58 -1.554 7.161 -8.224 1.00 0.32 C ATOM 942 O ARG A 58 -0.609 6.697 -8.861 1.00 0.39 O ATOM 943 CB ARG A 58 -1.453 9.472 -9.233 1.00 0.41 C ATOM 944 CG ARG A 58 -2.422 9.151 -10.360 1.00 0.47 C ATOM 945 CD ARG A 58 -3.826 9.643 -10.056 1.00 1.05 C ATOM 946 NE ARG A 58 -4.724 9.443 -11.191 1.00 1.91 N ATOM 947 CZ ARG A 58 -5.838 10.143 -11.407 1.00 2.95 C ATOM 948 NH1 ARG A 58 -6.214 11.102 -10.568 1.00 3.38 N ATOM 949 NH2 ARG A 58 -6.572 9.884 -12.479 1.00 3.81 N ATOM 0 H ARG A 58 0.227 9.274 -7.332 1.00 0.36 H new ATOM 0 HA ARG A 58 -2.672 8.872 -7.595 1.00 0.34 H new ATOM 0 HB2 ARG A 58 -1.538 10.531 -8.989 1.00 0.41 H new ATOM 0 HB3 ARG A 58 -0.436 9.307 -9.588 1.00 0.41 H new ATOM 0 HG2 ARG A 58 -2.069 9.609 -11.284 1.00 0.47 H new ATOM 0 HG3 ARG A 58 -2.443 8.074 -10.526 1.00 0.47 H new ATOM 0 HD2 ARG A 58 -4.216 9.116 -9.185 1.00 1.05 H new ATOM 0 HD3 ARG A 58 -3.793 10.702 -9.799 1.00 1.05 H new ATOM 0 HE ARG A 58 -4.482 8.717 -11.865 1.00 1.91 H new ATOM 0 HH11 ARG A 58 -5.648 11.311 -9.746 1.00 3.38 H new ATOM 0 HH12 ARG A 58 -7.069 11.629 -10.746 1.00 3.38 H new ATOM 0 HH21 ARG A 58 -6.283 9.154 -13.131 1.00 3.81 H new ATOM 0 HH22 ARG A 58 -7.426 10.414 -12.653 1.00 3.81 H new ATOM 963 N VAL A 59 -2.505 6.418 -7.692 1.00 0.29 N ATOM 964 CA VAL A 59 -2.488 4.971 -7.772 1.00 0.27 C ATOM 965 C VAL A 59 -2.883 4.512 -9.165 1.00 0.27 C ATOM 966 O VAL A 59 -3.960 4.861 -9.656 1.00 0.29 O ATOM 967 CB VAL A 59 -3.445 4.356 -6.732 1.00 0.23 C ATOM 968 CG1 VAL A 59 -3.305 2.843 -6.679 1.00 0.25 C ATOM 969 CG2 VAL A 59 -3.203 4.963 -5.360 1.00 0.24 C ATOM 0 H VAL A 59 -3.309 6.799 -7.194 1.00 0.29 H new ATOM 0 HA VAL A 59 -1.474 4.633 -7.559 1.00 0.27 H new ATOM 0 HB VAL A 59 -4.465 4.586 -7.040 1.00 0.23 H new ATOM 0 HG11 VAL A 59 -3.993 2.440 -5.936 1.00 0.25 H new ATOM 0 HG12 VAL A 59 -3.539 2.422 -7.657 1.00 0.25 H new ATOM 0 HG13 VAL A 59 -2.283 2.582 -6.406 1.00 0.25 H new ATOM 0 HG21 VAL A 59 -3.888 4.517 -4.639 1.00 0.24 H new ATOM 0 HG22 VAL A 59 -2.175 4.769 -5.053 1.00 0.24 H new ATOM 0 HG23 VAL A 59 -3.372 6.039 -5.403 1.00 0.24 H new ATOM 979 N ASN A 60 -1.996 3.744 -9.796 1.00 0.28 N ATOM 980 CA ASN A 60 -2.221 3.255 -11.152 1.00 0.32 C ATOM 981 C ASN A 60 -3.001 1.949 -11.126 1.00 0.35 C ATOM 982 O ASN A 60 -3.619 1.566 -12.114 1.00 0.46 O ATOM 983 CB ASN A 60 -0.891 3.042 -11.888 1.00 0.39 C ATOM 984 CG ASN A 60 -0.047 4.301 -11.963 1.00 1.24 C ATOM 985 OD1 ASN A 60 -0.225 5.132 -12.857 1.00 1.61 O ATOM 986 ND2 ASN A 60 0.902 4.433 -11.049 1.00 2.10 N ATOM 0 H ASN A 60 -1.111 3.447 -9.386 1.00 0.28 H new ATOM 0 HA ASN A 60 -2.800 4.010 -11.684 1.00 0.32 H new ATOM 0 HB2 ASN A 60 -0.324 2.260 -11.383 1.00 0.39 H new ATOM 0 HB3 ASN A 60 -1.094 2.686 -12.898 1.00 0.39 H new ATOM 0 HD21 ASN A 60 1.519 5.245 -11.068 1.00 2.10 H new ATOM 0 HD22 ASN A 60 1.016 3.723 -10.326 1.00 2.10 H new ATOM 993 N GLY A 61 -2.950 1.260 -9.996 1.00 0.29 N ATOM 994 CA GLY A 61 -3.716 0.040 -9.844 1.00 0.35 C ATOM 995 C GLY A 61 -3.233 -0.801 -8.687 1.00 0.30 C ATOM 996 O GLY A 61 -2.883 -0.273 -7.632 1.00 0.24 O ATOM 0 H GLY A 61 -2.393 1.523 -9.183 1.00 0.29 H new ATOM 0 HA2 GLY A 61 -4.766 0.290 -9.695 1.00 0.35 H new ATOM 0 HA3 GLY A 61 -3.654 -0.542 -10.764 1.00 0.35 H new ATOM 1000 N LEU A 62 -3.188 -2.105 -8.892 1.00 0.40 N ATOM 1001 CA LEU A 62 -2.882 -3.038 -7.822 1.00 0.37 C ATOM 1002 C LEU A 62 -1.986 -4.161 -8.311 1.00 0.40 C ATOM 1003 O LEU A 62 -1.887 -4.420 -9.510 1.00 0.46 O ATOM 1004 CB LEU A 62 -4.180 -3.623 -7.269 1.00 0.36 C ATOM 1005 CG LEU A 62 -5.046 -2.634 -6.494 1.00 0.36 C ATOM 1006 CD1 LEU A 62 -6.447 -3.181 -6.317 1.00 0.41 C ATOM 1007 CD2 LEU A 62 -4.419 -2.341 -5.140 1.00 0.42 C ATOM 0 H LEU A 62 -3.361 -2.544 -9.796 1.00 0.40 H new ATOM 0 HA LEU A 62 -2.353 -2.497 -7.037 1.00 0.37 H new ATOM 0 HB2 LEU A 62 -4.764 -4.024 -8.097 1.00 0.36 H new ATOM 0 HB3 LEU A 62 -3.936 -4.461 -6.616 1.00 0.36 H new ATOM 0 HG LEU A 62 -5.108 -1.706 -7.062 1.00 0.36 H new ATOM 0 HD11 LEU A 62 -7.051 -2.463 -5.762 1.00 0.41 H new ATOM 0 HD12 LEU A 62 -6.896 -3.354 -7.295 1.00 0.41 H new ATOM 0 HD13 LEU A 62 -6.404 -4.121 -5.766 1.00 0.41 H new ATOM 0 HD21 LEU A 62 -5.044 -1.634 -4.595 1.00 0.42 H new ATOM 0 HD22 LEU A 62 -4.335 -3.266 -4.570 1.00 0.42 H new ATOM 0 HD23 LEU A 62 -3.427 -1.912 -5.283 1.00 0.42 H new ATOM 1019 N SER A 63 -1.316 -4.806 -7.373 1.00 0.39 N ATOM 1020 CA SER A 63 -0.520 -5.981 -7.678 1.00 0.45 C ATOM 1021 C SER A 63 -1.411 -7.217 -7.630 1.00 0.43 C ATOM 1022 O SER A 63 -2.370 -7.269 -6.857 1.00 0.51 O ATOM 1023 CB SER A 63 0.626 -6.113 -6.674 1.00 0.53 C ATOM 1024 OG SER A 63 1.557 -7.101 -7.086 1.00 1.45 O ATOM 0 H SER A 63 -1.308 -4.534 -6.390 1.00 0.39 H new ATOM 0 HA SER A 63 -0.094 -5.884 -8.676 1.00 0.45 H new ATOM 0 HB2 SER A 63 1.133 -5.154 -6.568 1.00 0.53 H new ATOM 0 HB3 SER A 63 0.226 -6.372 -5.694 1.00 0.53 H new ATOM 0 HG SER A 63 2.314 -7.117 -6.464 1.00 1.45 H new ATOM 1030 N ARG A 64 -1.109 -8.194 -8.480 1.00 0.51 N ATOM 1031 CA ARG A 64 -1.867 -9.437 -8.524 1.00 0.56 C ATOM 1032 C ARG A 64 -1.550 -10.305 -7.310 1.00 0.47 C ATOM 1033 O ARG A 64 -2.341 -11.167 -6.921 1.00 0.54 O ATOM 1034 CB ARG A 64 -1.563 -10.200 -9.820 1.00 0.75 C ATOM 1035 CG ARG A 64 -2.288 -11.534 -9.930 1.00 1.20 C ATOM 1036 CD ARG A 64 -3.791 -11.363 -9.783 1.00 1.80 C ATOM 1037 NE ARG A 64 -4.382 -10.676 -10.926 1.00 2.42 N ATOM 1038 CZ ARG A 64 -5.019 -9.509 -10.852 1.00 3.15 C ATOM 1039 NH1 ARG A 64 -5.095 -8.850 -9.700 1.00 3.47 N ATOM 1040 NH2 ARG A 64 -5.580 -8.992 -11.934 1.00 3.98 N ATOM 0 H ARG A 64 -0.341 -8.147 -9.150 1.00 0.51 H new ATOM 0 HA ARG A 64 -2.929 -9.193 -8.503 1.00 0.56 H new ATOM 0 HB2 ARG A 64 -1.837 -9.576 -10.671 1.00 0.75 H new ATOM 0 HB3 ARG A 64 -0.489 -10.374 -9.885 1.00 0.75 H new ATOM 0 HG2 ARG A 64 -2.065 -11.992 -10.893 1.00 1.20 H new ATOM 0 HG3 ARG A 64 -1.921 -12.214 -9.161 1.00 1.20 H new ATOM 0 HD2 ARG A 64 -4.257 -12.342 -9.669 1.00 1.80 H new ATOM 0 HD3 ARG A 64 -4.004 -10.801 -8.874 1.00 1.80 H new ATOM 0 HE ARG A 64 -4.302 -11.118 -11.842 1.00 2.42 H new ATOM 0 HH11 ARG A 64 -4.663 -9.238 -8.861 1.00 3.47 H new ATOM 0 HH12 ARG A 64 -5.585 -7.957 -9.655 1.00 3.47 H new ATOM 0 HH21 ARG A 64 -5.524 -9.488 -12.824 1.00 3.98 H new ATOM 0 HH22 ARG A 64 -6.068 -8.098 -11.878 1.00 3.98 H new ATOM 1054 N ALA A 65 -0.399 -10.065 -6.710 1.00 0.42 N ATOM 1055 CA ALA A 65 0.019 -10.810 -5.539 1.00 0.44 C ATOM 1056 C ALA A 65 0.287 -9.865 -4.379 1.00 0.42 C ATOM 1057 O ALA A 65 0.690 -8.720 -4.584 1.00 0.43 O ATOM 1058 CB ALA A 65 1.259 -11.631 -5.857 1.00 0.59 C ATOM 0 H ALA A 65 0.266 -9.355 -7.017 1.00 0.42 H new ATOM 0 HA ALA A 65 -0.783 -11.489 -5.250 1.00 0.44 H new ATOM 0 HB1 ALA A 65 1.565 -12.187 -4.971 1.00 0.59 H new ATOM 0 HB2 ALA A 65 1.036 -12.329 -6.664 1.00 0.59 H new ATOM 0 HB3 ALA A 65 2.066 -10.966 -6.165 1.00 0.59 H new ATOM 1064 N PRO A 66 0.021 -10.315 -3.145 1.00 0.41 N ATOM 1065 CA PRO A 66 0.357 -9.555 -1.944 1.00 0.42 C ATOM 1066 C PRO A 66 1.859 -9.324 -1.855 1.00 0.43 C ATOM 1067 O PRO A 66 2.644 -10.267 -1.955 1.00 0.45 O ATOM 1068 CB PRO A 66 -0.120 -10.449 -0.793 1.00 0.46 C ATOM 1069 CG PRO A 66 -1.105 -11.381 -1.411 1.00 0.62 C ATOM 1070 CD PRO A 66 -0.643 -11.587 -2.823 1.00 0.46 C ATOM 0 HA PRO A 66 -0.105 -8.568 -1.930 1.00 0.42 H new ATOM 0 HB2 PRO A 66 0.712 -10.993 -0.346 1.00 0.46 H new ATOM 0 HB3 PRO A 66 -0.579 -9.859 0.001 1.00 0.46 H new ATOM 0 HG2 PRO A 66 -1.142 -12.326 -0.870 1.00 0.62 H new ATOM 0 HG3 PRO A 66 -2.110 -10.960 -1.386 1.00 0.62 H new ATOM 0 HD2 PRO A 66 0.042 -12.431 -2.904 1.00 0.46 H new ATOM 0 HD3 PRO A 66 -1.477 -11.788 -3.495 1.00 0.46 H new ATOM 1078 N ALA A 67 2.248 -8.069 -1.650 1.00 0.54 N ATOM 1079 CA ALA A 67 3.656 -7.674 -1.657 1.00 0.63 C ATOM 1080 C ALA A 67 4.464 -8.395 -0.580 1.00 0.52 C ATOM 1081 O ALA A 67 5.693 -8.409 -0.617 1.00 0.57 O ATOM 1082 CB ALA A 67 3.768 -6.173 -1.483 1.00 0.88 C ATOM 0 H ALA A 67 1.601 -7.300 -1.475 1.00 0.54 H new ATOM 0 HA ALA A 67 4.076 -7.964 -2.620 1.00 0.63 H new ATOM 0 HB1 ALA A 67 4.819 -5.883 -1.489 1.00 0.88 H new ATOM 0 HB2 ALA A 67 3.249 -5.672 -2.300 1.00 0.88 H new ATOM 0 HB3 ALA A 67 3.317 -5.882 -0.534 1.00 0.88 H new ATOM 1088 N SER A 68 3.772 -8.997 0.373 1.00 0.49 N ATOM 1089 CA SER A 68 4.420 -9.769 1.418 1.00 0.52 C ATOM 1090 C SER A 68 5.012 -11.061 0.854 1.00 0.47 C ATOM 1091 O SER A 68 5.874 -11.687 1.471 1.00 0.58 O ATOM 1092 CB SER A 68 3.411 -10.081 2.517 1.00 0.64 C ATOM 1093 OG SER A 68 2.782 -8.894 2.962 1.00 1.73 O ATOM 0 H SER A 68 2.755 -8.965 0.444 1.00 0.49 H new ATOM 0 HA SER A 68 5.238 -9.181 1.835 1.00 0.52 H new ATOM 0 HB2 SER A 68 2.662 -10.779 2.144 1.00 0.64 H new ATOM 0 HB3 SER A 68 3.913 -10.569 3.352 1.00 0.64 H new ATOM 0 HG SER A 68 1.853 -8.880 2.651 1.00 1.73 H new ATOM 1099 N SER A 69 4.542 -11.452 -0.323 1.00 0.43 N ATOM 1100 CA SER A 69 5.049 -12.635 -0.997 1.00 0.52 C ATOM 1101 C SER A 69 5.880 -12.234 -2.212 1.00 0.56 C ATOM 1102 O SER A 69 6.339 -13.083 -2.978 1.00 0.88 O ATOM 1103 CB SER A 69 3.883 -13.532 -1.422 1.00 0.67 C ATOM 1104 OG SER A 69 3.071 -13.871 -0.308 1.00 1.30 O ATOM 0 H SER A 69 3.806 -10.962 -0.832 1.00 0.43 H new ATOM 0 HA SER A 69 5.687 -13.189 -0.309 1.00 0.52 H new ATOM 0 HB2 SER A 69 3.281 -13.021 -2.173 1.00 0.67 H new ATOM 0 HB3 SER A 69 4.268 -14.440 -1.886 1.00 0.67 H new ATOM 0 HG SER A 69 2.332 -14.443 -0.604 1.00 1.30 H new ATOM 1110 N GLU A 70 6.074 -10.933 -2.383 1.00 0.52 N ATOM 1111 CA GLU A 70 6.832 -10.421 -3.511 1.00 0.53 C ATOM 1112 C GLU A 70 8.171 -9.870 -3.037 1.00 0.47 C ATOM 1113 O GLU A 70 8.237 -9.158 -2.034 1.00 0.45 O ATOM 1114 CB GLU A 70 6.033 -9.344 -4.245 1.00 0.64 C ATOM 1115 CG GLU A 70 4.675 -9.835 -4.729 1.00 1.19 C ATOM 1116 CD GLU A 70 4.040 -8.921 -5.754 1.00 1.34 C ATOM 1117 OE1 GLU A 70 3.484 -7.876 -5.368 1.00 1.91 O ATOM 1118 OE2 GLU A 70 4.086 -9.262 -6.957 1.00 1.74 O ATOM 0 H GLU A 70 5.716 -10.215 -1.753 1.00 0.52 H new ATOM 0 HA GLU A 70 7.022 -11.238 -4.207 1.00 0.53 H new ATOM 0 HB2 GLU A 70 5.889 -8.491 -3.582 1.00 0.64 H new ATOM 0 HB3 GLU A 70 6.610 -8.990 -5.099 1.00 0.64 H new ATOM 0 HG2 GLU A 70 4.788 -10.830 -5.160 1.00 1.19 H new ATOM 0 HG3 GLU A 70 4.006 -9.932 -3.874 1.00 1.19 H new ATOM 1125 N THR A 71 9.234 -10.207 -3.752 1.00 0.52 N ATOM 1126 CA THR A 71 10.577 -9.851 -3.329 1.00 0.53 C ATOM 1127 C THR A 71 11.270 -8.955 -4.347 1.00 0.61 C ATOM 1128 O THR A 71 10.954 -8.985 -5.539 1.00 0.70 O ATOM 1129 CB THR A 71 11.436 -11.116 -3.113 1.00 0.54 C ATOM 1130 OG1 THR A 71 11.377 -11.949 -4.277 1.00 1.06 O ATOM 1131 CG2 THR A 71 10.970 -11.906 -1.899 1.00 0.91 C ATOM 0 H THR A 71 9.191 -10.727 -4.628 1.00 0.52 H new ATOM 0 HA THR A 71 10.478 -9.306 -2.390 1.00 0.53 H new ATOM 0 HB THR A 71 12.463 -10.796 -2.937 1.00 0.54 H new ATOM 0 HG1 THR A 71 11.484 -12.887 -4.014 1.00 1.06 H new ATOM 0 HG21 THR A 71 11.597 -12.789 -1.777 1.00 0.91 H new ATOM 0 HG22 THR A 71 11.045 -11.282 -1.008 1.00 0.91 H new ATOM 0 HG23 THR A 71 9.934 -12.213 -2.041 1.00 0.91 H new ATOM 1139 N PHE A 72 12.201 -8.150 -3.863 1.00 0.63 N ATOM 1140 CA PHE A 72 13.085 -7.388 -4.723 1.00 0.72 C ATOM 1141 C PHE A 72 14.525 -7.628 -4.289 1.00 0.70 C ATOM 1142 O PHE A 72 14.817 -7.689 -3.092 1.00 0.66 O ATOM 1143 CB PHE A 72 12.737 -5.890 -4.711 1.00 0.84 C ATOM 1144 CG PHE A 72 12.798 -5.226 -3.359 1.00 0.56 C ATOM 1145 CD1 PHE A 72 11.726 -5.307 -2.484 1.00 0.85 C ATOM 1146 CD2 PHE A 72 13.933 -4.540 -2.956 1.00 0.55 C ATOM 1147 CE1 PHE A 72 11.784 -4.717 -1.236 1.00 1.33 C ATOM 1148 CE2 PHE A 72 13.996 -3.945 -1.711 1.00 0.79 C ATOM 1149 CZ PHE A 72 12.901 -3.968 -0.880 1.00 1.27 C ATOM 0 H PHE A 72 12.363 -8.008 -2.866 1.00 0.63 H new ATOM 0 HA PHE A 72 12.958 -7.726 -5.752 1.00 0.72 H new ATOM 0 HB2 PHE A 72 13.419 -5.370 -5.384 1.00 0.84 H new ATOM 0 HB3 PHE A 72 11.732 -5.764 -5.115 1.00 0.84 H new ATOM 0 HD1 PHE A 72 10.834 -5.838 -2.782 1.00 0.85 H new ATOM 0 HD2 PHE A 72 14.779 -4.470 -3.624 1.00 0.55 H new ATOM 0 HE1 PHE A 72 10.966 -4.837 -0.540 1.00 1.33 H new ATOM 0 HE2 PHE A 72 14.907 -3.461 -1.390 1.00 0.79 H new ATOM 0 HZ PHE A 72 12.908 -3.408 0.043 1.00 1.27 H new ATOM 1159 N GLU A 73 15.409 -7.811 -5.256 1.00 0.81 N ATOM 1160 CA GLU A 73 16.797 -8.128 -4.959 1.00 0.85 C ATOM 1161 C GLU A 73 17.582 -6.854 -4.676 1.00 0.87 C ATOM 1162 O GLU A 73 17.808 -6.034 -5.568 1.00 0.95 O ATOM 1163 CB GLU A 73 17.418 -8.917 -6.118 1.00 1.02 C ATOM 1164 CG GLU A 73 18.759 -9.557 -5.781 1.00 1.12 C ATOM 1165 CD GLU A 73 19.950 -8.744 -6.246 1.00 1.45 C ATOM 1166 OE1 GLU A 73 20.335 -7.793 -5.532 1.00 1.58 O ATOM 1167 OE2 GLU A 73 20.486 -9.025 -7.335 1.00 2.00 O ATOM 0 H GLU A 73 15.192 -7.746 -6.250 1.00 0.81 H new ATOM 0 HA GLU A 73 16.836 -8.751 -4.066 1.00 0.85 H new ATOM 0 HB2 GLU A 73 16.722 -9.697 -6.428 1.00 1.02 H new ATOM 0 HB3 GLU A 73 17.549 -8.250 -6.970 1.00 1.02 H new ATOM 0 HG2 GLU A 73 18.824 -9.698 -4.702 1.00 1.12 H new ATOM 0 HG3 GLU A 73 18.805 -10.547 -6.235 1.00 1.12 H new ATOM 1174 N HIS A 74 17.976 -6.693 -3.423 1.00 0.85 N ATOM 1175 CA HIS A 74 18.737 -5.534 -3.001 1.00 0.94 C ATOM 1176 C HIS A 74 20.050 -5.989 -2.372 1.00 1.04 C ATOM 1177 O HIS A 74 20.074 -6.457 -1.230 1.00 1.03 O ATOM 1178 CB HIS A 74 17.919 -4.698 -2.008 1.00 0.95 C ATOM 1179 CG HIS A 74 18.385 -3.277 -1.875 1.00 1.21 C ATOM 1180 ND1 HIS A 74 18.095 -2.522 -0.761 1.00 1.83 N ATOM 1181 CD2 HIS A 74 19.076 -2.516 -2.756 1.00 1.63 C ATOM 1182 CE1 HIS A 74 18.610 -1.327 -0.992 1.00 1.89 C ATOM 1183 NE2 HIS A 74 19.215 -1.275 -2.189 1.00 1.71 N ATOM 0 H HIS A 74 17.778 -7.359 -2.676 1.00 0.85 H new ATOM 0 HA HIS A 74 18.960 -4.911 -3.867 1.00 0.94 H new ATOM 0 HB2 HIS A 74 16.875 -4.699 -2.322 1.00 0.95 H new ATOM 0 HB3 HIS A 74 17.958 -5.175 -1.029 1.00 0.95 H new ATOM 0 HD2 HIS A 74 19.447 -2.827 -3.721 1.00 1.63 H new ATOM 0 HE1 HIS A 74 18.551 -0.497 -0.304 1.00 1.89 H new ATOM 0 HE2 HIS A 74 19.687 -0.468 -2.598 1.00 1.71 H new ATOM 1191 N ASP A 75 21.124 -5.884 -3.150 1.00 1.23 N ATOM 1192 CA ASP A 75 22.467 -6.284 -2.723 1.00 1.40 C ATOM 1193 C ASP A 75 22.561 -7.789 -2.528 1.00 1.35 C ATOM 1194 O ASP A 75 23.160 -8.273 -1.568 1.00 1.42 O ATOM 1195 CB ASP A 75 22.902 -5.554 -1.447 1.00 1.50 C ATOM 1196 CG ASP A 75 23.192 -4.091 -1.691 1.00 1.87 C ATOM 1197 OD1 ASP A 75 24.048 -3.790 -2.552 1.00 2.24 O ATOM 1198 OD2 ASP A 75 22.561 -3.235 -1.034 1.00 2.37 O ATOM 0 H ASP A 75 21.089 -5.517 -4.101 1.00 1.23 H new ATOM 0 HA ASP A 75 23.150 -5.996 -3.523 1.00 1.40 H new ATOM 0 HB2 ASP A 75 22.119 -5.646 -0.694 1.00 1.50 H new ATOM 0 HB3 ASP A 75 23.792 -6.035 -1.042 1.00 1.50 H new ATOM 1203 N GLY A 76 21.954 -8.530 -3.444 1.00 1.31 N ATOM 1204 CA GLY A 76 22.032 -9.976 -3.404 1.00 1.35 C ATOM 1205 C GLY A 76 20.952 -10.589 -2.543 1.00 1.18 C ATOM 1206 O GLY A 76 20.682 -11.787 -2.633 1.00 1.26 O ATOM 0 H GLY A 76 21.406 -8.153 -4.218 1.00 1.31 H new ATOM 0 HA2 GLY A 76 21.952 -10.369 -4.417 1.00 1.35 H new ATOM 0 HA3 GLY A 76 23.009 -10.274 -3.023 1.00 1.35 H new ATOM 1210 N LYS A 77 20.327 -9.770 -1.715 1.00 1.01 N ATOM 1211 CA LYS A 77 19.298 -10.246 -0.812 1.00 0.88 C ATOM 1212 C LYS A 77 17.928 -9.981 -1.413 1.00 0.78 C ATOM 1213 O LYS A 77 17.592 -8.837 -1.714 1.00 0.79 O ATOM 1214 CB LYS A 77 19.397 -9.530 0.538 1.00 0.93 C ATOM 1215 CG LYS A 77 20.822 -9.288 1.022 1.00 1.19 C ATOM 1216 CD LYS A 77 21.555 -10.582 1.334 1.00 1.33 C ATOM 1217 CE LYS A 77 23.005 -10.319 1.719 1.00 2.02 C ATOM 1218 NZ LYS A 77 23.121 -9.451 2.925 1.00 2.54 N ATOM 0 H LYS A 77 20.516 -8.770 -1.651 1.00 1.01 H new ATOM 0 HA LYS A 77 19.438 -11.316 -0.661 1.00 0.88 H new ATOM 0 HB2 LYS A 77 18.884 -8.571 0.465 1.00 0.93 H new ATOM 0 HB3 LYS A 77 18.867 -10.119 1.287 1.00 0.93 H new ATOM 0 HG2 LYS A 77 21.373 -8.736 0.260 1.00 1.19 H new ATOM 0 HG3 LYS A 77 20.799 -8.663 1.914 1.00 1.19 H new ATOM 0 HD2 LYS A 77 21.049 -11.102 2.148 1.00 1.33 H new ATOM 0 HD3 LYS A 77 21.521 -11.240 0.466 1.00 1.33 H new ATOM 0 HE2 LYS A 77 23.507 -11.268 1.908 1.00 2.02 H new ATOM 0 HE3 LYS A 77 23.521 -9.847 0.883 1.00 2.02 H new ATOM 0 HZ1 LYS A 77 24.112 -9.424 3.239 1.00 2.54 H new ATOM 0 HZ2 LYS A 77 22.805 -8.488 2.691 1.00 2.54 H new ATOM 0 HZ3 LYS A 77 22.527 -9.835 3.687 1.00 2.54 H new ATOM 1232 N LYS A 78 17.139 -11.027 -1.590 1.00 0.74 N ATOM 1233 CA LYS A 78 15.780 -10.857 -2.072 1.00 0.72 C ATOM 1234 C LYS A 78 14.836 -10.675 -0.898 1.00 0.64 C ATOM 1235 O LYS A 78 14.389 -11.643 -0.283 1.00 0.78 O ATOM 1236 CB LYS A 78 15.337 -12.043 -2.929 1.00 0.81 C ATOM 1237 CG LYS A 78 16.129 -12.190 -4.217 1.00 0.92 C ATOM 1238 CD LYS A 78 15.492 -13.212 -5.148 1.00 1.05 C ATOM 1239 CE LYS A 78 14.105 -12.769 -5.586 1.00 1.73 C ATOM 1240 NZ LYS A 78 13.430 -13.784 -6.438 1.00 2.52 N ATOM 0 H LYS A 78 17.412 -11.993 -1.409 1.00 0.74 H new ATOM 0 HA LYS A 78 15.752 -9.967 -2.700 1.00 0.72 H new ATOM 0 HB2 LYS A 78 15.434 -12.959 -2.346 1.00 0.81 H new ATOM 0 HB3 LYS A 78 14.280 -11.931 -3.172 1.00 0.81 H new ATOM 0 HG2 LYS A 78 16.190 -11.225 -4.721 1.00 0.92 H new ATOM 0 HG3 LYS A 78 17.150 -12.493 -3.985 1.00 0.92 H new ATOM 0 HD2 LYS A 78 16.125 -13.353 -6.024 1.00 1.05 H new ATOM 0 HD3 LYS A 78 15.426 -14.176 -4.643 1.00 1.05 H new ATOM 0 HE2 LYS A 78 13.494 -12.573 -4.705 1.00 1.73 H new ATOM 0 HE3 LYS A 78 14.182 -11.831 -6.135 1.00 1.73 H new ATOM 0 HZ1 LYS A 78 12.488 -13.437 -6.711 1.00 2.52 H new ATOM 0 HZ2 LYS A 78 13.998 -13.953 -7.292 1.00 2.52 H new ATOM 0 HZ3 LYS A 78 13.331 -14.673 -5.907 1.00 2.52 H new ATOM 1254 N VAL A 79 14.550 -9.427 -0.583 1.00 0.53 N ATOM 1255 CA VAL A 79 13.681 -9.104 0.531 1.00 0.49 C ATOM 1256 C VAL A 79 12.285 -8.763 0.031 1.00 0.43 C ATOM 1257 O VAL A 79 12.119 -8.271 -1.084 1.00 0.45 O ATOM 1258 CB VAL A 79 14.248 -7.927 1.359 1.00 0.57 C ATOM 1259 CG1 VAL A 79 15.522 -8.344 2.079 1.00 1.31 C ATOM 1260 CG2 VAL A 79 14.516 -6.719 0.476 1.00 1.38 C ATOM 0 H VAL A 79 14.909 -8.616 -1.086 1.00 0.53 H new ATOM 0 HA VAL A 79 13.625 -9.980 1.177 1.00 0.49 H new ATOM 0 HB VAL A 79 13.500 -7.649 2.102 1.00 0.57 H new ATOM 0 HG11 VAL A 79 15.906 -7.503 2.656 1.00 1.31 H new ATOM 0 HG12 VAL A 79 15.305 -9.175 2.750 1.00 1.31 H new ATOM 0 HG13 VAL A 79 16.269 -8.653 1.348 1.00 1.31 H new ATOM 0 HG21 VAL A 79 14.914 -5.906 1.083 1.00 1.38 H new ATOM 0 HG22 VAL A 79 15.240 -6.985 -0.294 1.00 1.38 H new ATOM 0 HG23 VAL A 79 13.586 -6.399 0.005 1.00 1.38 H new ATOM 1270 N THR A 80 11.285 -9.047 0.848 1.00 0.42 N ATOM 1271 CA THR A 80 9.910 -8.756 0.496 1.00 0.40 C ATOM 1272 C THR A 80 9.579 -7.315 0.841 1.00 0.39 C ATOM 1273 O THR A 80 10.286 -6.687 1.638 1.00 0.42 O ATOM 1274 CB THR A 80 8.920 -9.681 1.239 1.00 0.42 C ATOM 1275 OG1 THR A 80 9.080 -9.528 2.656 1.00 0.49 O ATOM 1276 CG2 THR A 80 9.133 -11.137 0.856 1.00 0.45 C ATOM 0 H THR A 80 11.403 -9.481 1.764 1.00 0.42 H new ATOM 0 HA THR A 80 9.808 -8.925 -0.576 1.00 0.40 H new ATOM 0 HB THR A 80 7.909 -9.395 0.950 1.00 0.42 H new ATOM 0 HG1 THR A 80 8.449 -10.116 3.122 1.00 0.49 H new ATOM 0 HG21 THR A 80 8.422 -11.763 1.395 1.00 0.45 H new ATOM 0 HG22 THR A 80 8.982 -11.257 -0.217 1.00 0.45 H new ATOM 0 HG23 THR A 80 10.149 -11.436 1.115 1.00 0.45 H new ATOM 1284 N ILE A 81 8.517 -6.788 0.260 1.00 0.40 N ATOM 1285 CA ILE A 81 8.060 -5.456 0.613 1.00 0.40 C ATOM 1286 C ILE A 81 7.734 -5.408 2.107 1.00 0.36 C ATOM 1287 O ILE A 81 8.029 -4.430 2.793 1.00 0.37 O ATOM 1288 CB ILE A 81 6.823 -5.041 -0.217 1.00 0.44 C ATOM 1289 CG1 ILE A 81 7.159 -5.037 -1.714 1.00 0.60 C ATOM 1290 CG2 ILE A 81 6.313 -3.671 0.216 1.00 0.48 C ATOM 1291 CD1 ILE A 81 8.258 -4.067 -2.095 1.00 0.81 C ATOM 0 H ILE A 81 7.958 -7.257 -0.453 1.00 0.40 H new ATOM 0 HA ILE A 81 8.859 -4.749 0.388 1.00 0.40 H new ATOM 0 HB ILE A 81 6.034 -5.771 -0.038 1.00 0.44 H new ATOM 0 HG12 ILE A 81 7.456 -6.042 -2.012 1.00 0.60 H new ATOM 0 HG13 ILE A 81 6.259 -4.790 -2.277 1.00 0.60 H new ATOM 0 HG21 ILE A 81 5.443 -3.401 -0.382 1.00 0.48 H new ATOM 0 HG22 ILE A 81 6.034 -3.703 1.269 1.00 0.48 H new ATOM 0 HG23 ILE A 81 7.097 -2.928 0.071 1.00 0.48 H new ATOM 0 HD11 ILE A 81 8.437 -4.123 -3.169 1.00 0.81 H new ATOM 0 HD12 ILE A 81 7.957 -3.054 -1.830 1.00 0.81 H new ATOM 0 HD13 ILE A 81 9.172 -4.325 -1.561 1.00 0.81 H new ATOM 1303 N ALA A 82 7.171 -6.501 2.610 1.00 0.36 N ATOM 1304 CA ALA A 82 6.838 -6.612 4.022 1.00 0.39 C ATOM 1305 C ALA A 82 8.088 -6.552 4.900 1.00 0.41 C ATOM 1306 O ALA A 82 8.094 -5.883 5.932 1.00 0.43 O ATOM 1307 CB ALA A 82 6.075 -7.899 4.280 1.00 0.44 C ATOM 0 H ALA A 82 6.936 -7.325 2.057 1.00 0.36 H new ATOM 0 HA ALA A 82 6.207 -5.763 4.284 1.00 0.39 H new ATOM 0 HB1 ALA A 82 5.831 -7.971 5.340 1.00 0.44 H new ATOM 0 HB2 ALA A 82 5.155 -7.900 3.695 1.00 0.44 H new ATOM 0 HB3 ALA A 82 6.690 -8.751 3.990 1.00 0.44 H new ATOM 1313 N SER A 83 9.149 -7.246 4.492 1.00 0.46 N ATOM 1314 CA SER A 83 10.387 -7.257 5.264 1.00 0.54 C ATOM 1315 C SER A 83 11.061 -5.890 5.225 1.00 0.53 C ATOM 1316 O SER A 83 11.764 -5.509 6.159 1.00 0.56 O ATOM 1317 CB SER A 83 11.335 -8.344 4.756 1.00 0.67 C ATOM 1318 OG SER A 83 11.673 -8.154 3.394 1.00 1.08 O ATOM 0 H SER A 83 9.176 -7.803 3.638 1.00 0.46 H new ATOM 0 HA SER A 83 10.137 -7.483 6.301 1.00 0.54 H new ATOM 0 HB2 SER A 83 12.243 -8.345 5.359 1.00 0.67 H new ATOM 0 HB3 SER A 83 10.868 -9.321 4.882 1.00 0.67 H new ATOM 0 HG SER A 83 11.092 -7.467 3.005 1.00 1.08 H new ATOM 1324 N TYR A 84 10.833 -5.151 4.147 1.00 0.51 N ATOM 1325 CA TYR A 84 11.340 -3.789 4.043 1.00 0.55 C ATOM 1326 C TYR A 84 10.705 -2.911 5.116 1.00 0.53 C ATOM 1327 O TYR A 84 11.393 -2.158 5.804 1.00 0.57 O ATOM 1328 CB TYR A 84 11.070 -3.209 2.650 1.00 0.58 C ATOM 1329 CG TYR A 84 11.500 -1.764 2.500 1.00 0.64 C ATOM 1330 CD1 TYR A 84 12.845 -1.419 2.489 1.00 0.74 C ATOM 1331 CD2 TYR A 84 10.562 -0.749 2.365 1.00 0.63 C ATOM 1332 CE1 TYR A 84 13.243 -0.103 2.346 1.00 0.81 C ATOM 1333 CE2 TYR A 84 10.952 0.569 2.220 1.00 0.71 C ATOM 1334 CZ TYR A 84 12.287 0.891 2.235 1.00 0.80 C ATOM 1335 OH TYR A 84 12.686 2.199 2.069 1.00 0.88 O ATOM 0 H TYR A 84 10.303 -5.470 3.336 1.00 0.51 H new ATOM 0 HA TYR A 84 12.419 -3.811 4.196 1.00 0.55 H new ATOM 0 HB2 TYR A 84 11.591 -3.813 1.907 1.00 0.58 H new ATOM 0 HB3 TYR A 84 10.004 -3.286 2.434 1.00 0.58 H new ATOM 0 HD1 TYR A 84 13.592 -2.192 2.594 1.00 0.74 H new ATOM 0 HD2 TYR A 84 9.510 -0.994 2.373 1.00 0.63 H new ATOM 0 HE1 TYR A 84 14.293 0.148 2.321 1.00 0.81 H new ATOM 0 HE2 TYR A 84 10.209 1.343 2.095 1.00 0.71 H new ATOM 0 HH TYR A 84 12.575 2.458 1.131 1.00 0.88 H new ATOM 1345 N PHE A 85 9.391 -3.023 5.266 1.00 0.48 N ATOM 1346 CA PHE A 85 8.676 -2.290 6.302 1.00 0.48 C ATOM 1347 C PHE A 85 9.071 -2.798 7.681 1.00 0.51 C ATOM 1348 O PHE A 85 9.169 -2.023 8.627 1.00 0.59 O ATOM 1349 CB PHE A 85 7.162 -2.377 6.099 1.00 0.48 C ATOM 1350 CG PHE A 85 6.668 -1.504 4.980 1.00 0.51 C ATOM 1351 CD1 PHE A 85 7.118 -1.701 3.685 1.00 0.57 C ATOM 1352 CD2 PHE A 85 5.748 -0.496 5.219 1.00 0.87 C ATOM 1353 CE1 PHE A 85 6.657 -0.908 2.652 1.00 0.65 C ATOM 1354 CE2 PHE A 85 5.283 0.297 4.192 1.00 0.94 C ATOM 1355 CZ PHE A 85 5.775 0.125 2.916 1.00 0.70 C ATOM 0 H PHE A 85 8.799 -3.615 4.683 1.00 0.48 H new ATOM 0 HA PHE A 85 8.957 -1.239 6.229 1.00 0.48 H new ATOM 0 HB2 PHE A 85 6.888 -3.412 5.893 1.00 0.48 H new ATOM 0 HB3 PHE A 85 6.660 -2.092 7.024 1.00 0.48 H new ATOM 0 HD1 PHE A 85 7.836 -2.482 3.481 1.00 0.57 H new ATOM 0 HD2 PHE A 85 5.390 -0.329 6.224 1.00 0.87 H new ATOM 0 HE1 PHE A 85 6.985 -1.094 1.640 1.00 0.65 H new ATOM 0 HE2 PHE A 85 4.535 1.051 4.387 1.00 0.94 H new ATOM 0 HZ PHE A 85 5.473 0.795 2.124 1.00 0.70 H new ATOM 1365 N HIS A 86 9.300 -4.100 7.793 1.00 0.49 N ATOM 1366 CA HIS A 86 9.774 -4.684 9.043 1.00 0.54 C ATOM 1367 C HIS A 86 11.150 -4.110 9.406 1.00 0.57 C ATOM 1368 O HIS A 86 11.460 -3.901 10.578 1.00 0.62 O ATOM 1369 CB HIS A 86 9.837 -6.212 8.932 1.00 0.57 C ATOM 1370 CG HIS A 86 10.112 -6.900 10.235 1.00 0.63 C ATOM 1371 ND1 HIS A 86 11.168 -7.766 10.383 1.00 0.96 N ATOM 1372 CD2 HIS A 86 9.436 -6.820 11.407 1.00 0.74 C ATOM 1373 CE1 HIS A 86 11.112 -8.192 11.635 1.00 0.98 C ATOM 1374 NE2 HIS A 86 10.079 -7.644 12.293 1.00 0.79 N ATOM 0 H HIS A 86 9.166 -4.771 7.036 1.00 0.49 H new ATOM 0 HA HIS A 86 9.072 -4.429 9.837 1.00 0.54 H new ATOM 0 HB2 HIS A 86 8.892 -6.578 8.531 1.00 0.57 H new ATOM 0 HB3 HIS A 86 10.613 -6.484 8.217 1.00 0.57 H new ATOM 0 HD2 HIS A 86 8.559 -6.222 11.605 1.00 0.74 H new ATOM 0 HE1 HIS A 86 11.809 -8.892 12.071 1.00 0.98 H new ATOM 0 HE2 HIS A 86 9.822 -7.809 13.266 1.00 0.79 H new ATOM 1382 N SER A 87 11.967 -3.853 8.387 1.00 0.57 N ATOM 1383 CA SER A 87 13.251 -3.182 8.568 1.00 0.65 C ATOM 1384 C SER A 87 13.029 -1.721 8.966 1.00 0.67 C ATOM 1385 O SER A 87 13.872 -1.094 9.606 1.00 0.75 O ATOM 1386 CB SER A 87 14.083 -3.273 7.282 1.00 0.68 C ATOM 1387 OG SER A 87 15.342 -2.637 7.426 1.00 1.36 O ATOM 0 H SER A 87 11.760 -4.102 7.420 1.00 0.57 H new ATOM 0 HA SER A 87 13.800 -3.678 9.368 1.00 0.65 H new ATOM 0 HB2 SER A 87 14.232 -4.320 7.018 1.00 0.68 H new ATOM 0 HB3 SER A 87 13.534 -2.813 6.460 1.00 0.68 H new ATOM 0 HG SER A 87 15.846 -2.715 6.589 1.00 1.36 H new ATOM 1393 N ARG A 88 11.876 -1.186 8.584 1.00 0.61 N ATOM 1394 CA ARG A 88 11.467 0.150 8.999 1.00 0.67 C ATOM 1395 C ARG A 88 10.778 0.083 10.357 1.00 0.64 C ATOM 1396 O ARG A 88 10.090 1.019 10.767 1.00 0.70 O ATOM 1397 CB ARG A 88 10.527 0.771 7.965 1.00 0.74 C ATOM 1398 CG ARG A 88 11.106 0.864 6.557 1.00 0.92 C ATOM 1399 CD ARG A 88 12.256 1.858 6.462 1.00 0.97 C ATOM 1400 NE ARG A 88 13.502 1.343 7.035 1.00 1.13 N ATOM 1401 CZ ARG A 88 14.707 1.801 6.698 1.00 1.42 C ATOM 1402 NH1 ARG A 88 14.824 2.801 5.831 1.00 1.76 N ATOM 1403 NH2 ARG A 88 15.802 1.272 7.231 1.00 2.11 N ATOM 0 H ARG A 88 11.203 -1.661 7.983 1.00 0.61 H new ATOM 0 HA ARG A 88 12.355 0.777 9.078 1.00 0.67 H new ATOM 0 HB2 ARG A 88 9.609 0.184 7.928 1.00 0.74 H new ATOM 0 HB3 ARG A 88 10.252 1.772 8.298 1.00 0.74 H new ATOM 0 HG2 ARG A 88 11.455 -0.121 6.246 1.00 0.92 H new ATOM 0 HG3 ARG A 88 10.319 1.157 5.863 1.00 0.92 H new ATOM 0 HD2 ARG A 88 12.422 2.115 5.416 1.00 0.97 H new ATOM 0 HD3 ARG A 88 11.978 2.778 6.976 1.00 0.97 H new ATOM 0 HE ARG A 88 13.444 0.596 7.727 1.00 1.13 H new ATOM 0 HH11 ARG A 88 13.990 3.221 5.421 1.00 1.76 H new ATOM 0 HH12 ARG A 88 15.748 3.149 5.575 1.00 1.76 H new ATOM 0 HH21 ARG A 88 15.724 0.509 7.904 1.00 2.11 H new ATOM 0 HH22 ARG A 88 16.721 1.628 6.968 1.00 2.11 H new ATOM 1417 N ASN A 89 10.971 -1.046 11.036 1.00 0.61 N ATOM 1418 CA ASN A 89 10.432 -1.276 12.373 1.00 0.63 C ATOM 1419 C ASN A 89 8.916 -1.191 12.362 1.00 0.66 C ATOM 1420 O ASN A 89 8.293 -0.783 13.345 1.00 0.83 O ATOM 1421 CB ASN A 89 11.019 -0.284 13.384 1.00 0.70 C ATOM 1422 CG ASN A 89 12.532 -0.233 13.324 1.00 1.30 C ATOM 1423 OD1 ASN A 89 13.220 -1.048 13.941 1.00 2.07 O ATOM 1424 ND2 ASN A 89 13.061 0.733 12.588 1.00 1.91 N ATOM 0 H ASN A 89 11.509 -1.832 10.671 1.00 0.61 H new ATOM 0 HA ASN A 89 10.720 -2.281 12.681 1.00 0.63 H new ATOM 0 HB2 ASN A 89 10.616 0.710 13.191 1.00 0.70 H new ATOM 0 HB3 ASN A 89 10.706 -0.565 14.390 1.00 0.70 H new ATOM 0 HD21 ASN A 89 14.075 0.823 12.516 1.00 1.91 H new ATOM 0 HD22 ASN A 89 12.455 1.387 12.093 1.00 1.91 H new ATOM 1431 N TYR A 90 8.325 -1.577 11.242 1.00 0.56 N ATOM 1432 CA TYR A 90 6.885 -1.581 11.112 1.00 0.64 C ATOM 1433 C TYR A 90 6.405 -2.904 10.534 1.00 0.59 C ATOM 1434 O TYR A 90 6.394 -3.095 9.320 1.00 0.57 O ATOM 1435 CB TYR A 90 6.409 -0.432 10.223 1.00 0.76 C ATOM 1436 CG TYR A 90 4.911 -0.274 10.247 1.00 1.02 C ATOM 1437 CD1 TYR A 90 4.266 0.270 11.348 1.00 1.67 C ATOM 1438 CD2 TYR A 90 4.148 -0.646 9.151 1.00 1.04 C ATOM 1439 CE1 TYR A 90 2.893 0.436 11.356 1.00 2.09 C ATOM 1440 CE2 TYR A 90 2.778 -0.480 9.147 1.00 1.39 C ATOM 1441 CZ TYR A 90 2.145 -0.026 10.333 1.00 1.94 C ATOM 1442 OH TYR A 90 0.785 0.228 10.248 1.00 2.32 O ATOM 0 H TYR A 90 8.826 -1.891 10.411 1.00 0.56 H new ATOM 0 HA TYR A 90 6.463 -1.449 12.108 1.00 0.64 H new ATOM 0 HB2 TYR A 90 6.875 0.497 10.552 1.00 0.76 H new ATOM 0 HB3 TYR A 90 6.737 -0.608 9.199 1.00 0.76 H new ATOM 0 HD1 TYR A 90 4.844 0.568 12.210 1.00 1.67 H new ATOM 0 HD2 TYR A 90 4.634 -1.073 8.286 1.00 1.04 H new ATOM 0 HE1 TYR A 90 2.417 0.938 12.186 1.00 2.09 H new ATOM 0 HE2 TYR A 90 2.200 -0.691 8.260 1.00 1.39 H new ATOM 0 HH TYR A 90 0.386 -0.351 9.565 1.00 2.32 H new ATOM 1452 N PRO A 91 6.024 -3.842 11.400 1.00 0.61 N ATOM 1453 CA PRO A 91 5.443 -5.103 10.965 1.00 0.62 C ATOM 1454 C PRO A 91 4.008 -4.904 10.486 1.00 0.65 C ATOM 1455 O PRO A 91 3.147 -4.454 11.248 1.00 0.86 O ATOM 1456 CB PRO A 91 5.497 -5.964 12.226 1.00 0.68 C ATOM 1457 CG PRO A 91 5.433 -4.992 13.353 1.00 0.72 C ATOM 1458 CD PRO A 91 6.127 -3.749 12.869 1.00 0.69 C ATOM 0 HA PRO A 91 5.969 -5.553 10.123 1.00 0.62 H new ATOM 0 HB2 PRO A 91 4.664 -6.666 12.261 1.00 0.68 H new ATOM 0 HB3 PRO A 91 6.413 -6.554 12.264 1.00 0.68 H new ATOM 0 HG2 PRO A 91 4.400 -4.780 13.627 1.00 0.72 H new ATOM 0 HG3 PRO A 91 5.923 -5.392 14.241 1.00 0.72 H new ATOM 0 HD2 PRO A 91 5.645 -2.848 13.248 1.00 0.69 H new ATOM 0 HD3 PRO A 91 7.166 -3.717 13.197 1.00 0.69 H new ATOM 1466 N LEU A 92 3.763 -5.210 9.216 1.00 0.53 N ATOM 1467 CA LEU A 92 2.441 -5.034 8.621 1.00 0.55 C ATOM 1468 C LEU A 92 1.398 -5.844 9.377 1.00 0.56 C ATOM 1469 O LEU A 92 1.652 -6.980 9.791 1.00 0.59 O ATOM 1470 CB LEU A 92 2.456 -5.449 7.150 1.00 0.59 C ATOM 1471 CG LEU A 92 3.346 -4.602 6.239 1.00 0.57 C ATOM 1472 CD1 LEU A 92 3.314 -5.141 4.817 1.00 0.65 C ATOM 1473 CD2 LEU A 92 2.909 -3.144 6.269 1.00 0.62 C ATOM 0 H LEU A 92 4.465 -5.582 8.576 1.00 0.53 H new ATOM 0 HA LEU A 92 2.179 -3.978 8.687 1.00 0.55 H new ATOM 0 HB2 LEU A 92 2.783 -6.487 7.086 1.00 0.59 H new ATOM 0 HB3 LEU A 92 1.435 -5.412 6.769 1.00 0.59 H new ATOM 0 HG LEU A 92 4.370 -4.659 6.607 1.00 0.57 H new ATOM 0 HD11 LEU A 92 3.952 -4.528 4.181 1.00 0.65 H new ATOM 0 HD12 LEU A 92 3.675 -6.169 4.809 1.00 0.65 H new ATOM 0 HD13 LEU A 92 2.292 -5.113 4.440 1.00 0.65 H new ATOM 0 HD21 LEU A 92 3.554 -2.557 5.615 1.00 0.62 H new ATOM 0 HD22 LEU A 92 1.877 -3.066 5.926 1.00 0.62 H new ATOM 0 HD23 LEU A 92 2.982 -2.763 7.288 1.00 0.62 H new ATOM 1485 N LYS A 93 0.227 -5.251 9.552 1.00 0.63 N ATOM 1486 CA LYS A 93 -0.836 -5.870 10.323 1.00 0.68 C ATOM 1487 C LYS A 93 -1.675 -6.769 9.431 1.00 0.61 C ATOM 1488 O LYS A 93 -2.272 -7.743 9.894 1.00 0.68 O ATOM 1489 CB LYS A 93 -1.713 -4.795 10.963 1.00 0.83 C ATOM 1490 CG LYS A 93 -0.928 -3.812 11.818 1.00 0.91 C ATOM 1491 CD LYS A 93 -1.819 -2.721 12.391 1.00 1.28 C ATOM 1492 CE LYS A 93 -2.858 -3.285 13.347 1.00 1.57 C ATOM 1493 NZ LYS A 93 -3.674 -2.212 13.970 1.00 2.22 N ATOM 0 H LYS A 93 -0.010 -4.337 9.167 1.00 0.63 H new ATOM 0 HA LYS A 93 -0.392 -6.477 11.112 1.00 0.68 H new ATOM 0 HB2 LYS A 93 -2.236 -4.248 10.179 1.00 0.83 H new ATOM 0 HB3 LYS A 93 -2.474 -5.275 11.578 1.00 0.83 H new ATOM 0 HG2 LYS A 93 -0.441 -4.348 12.633 1.00 0.91 H new ATOM 0 HG3 LYS A 93 -0.139 -3.359 11.218 1.00 0.91 H new ATOM 0 HD2 LYS A 93 -1.205 -1.987 12.913 1.00 1.28 H new ATOM 0 HD3 LYS A 93 -2.320 -2.196 11.578 1.00 1.28 H new ATOM 0 HE2 LYS A 93 -3.511 -3.973 12.810 1.00 1.57 H new ATOM 0 HE3 LYS A 93 -2.360 -3.862 14.126 1.00 1.57 H new ATOM 0 HZ1 LYS A 93 -4.371 -2.636 14.615 1.00 2.22 H new ATOM 0 HZ2 LYS A 93 -3.054 -1.570 14.504 1.00 2.22 H new ATOM 0 HZ3 LYS A 93 -4.169 -1.678 13.228 1.00 2.22 H new ATOM 1507 N PHE A 94 -1.714 -6.440 8.146 1.00 0.52 N ATOM 1508 CA PHE A 94 -2.450 -7.234 7.173 1.00 0.50 C ATOM 1509 C PHE A 94 -1.561 -7.569 5.975 1.00 0.44 C ATOM 1510 O PHE A 94 -1.734 -7.023 4.890 1.00 0.42 O ATOM 1511 CB PHE A 94 -3.704 -6.484 6.711 1.00 0.51 C ATOM 1512 CG PHE A 94 -4.588 -6.044 7.843 1.00 0.59 C ATOM 1513 CD1 PHE A 94 -5.328 -6.969 8.564 1.00 0.68 C ATOM 1514 CD2 PHE A 94 -4.685 -4.703 8.184 1.00 0.66 C ATOM 1515 CE1 PHE A 94 -6.143 -6.568 9.603 1.00 0.78 C ATOM 1516 CE2 PHE A 94 -5.500 -4.295 9.223 1.00 0.78 C ATOM 1517 CZ PHE A 94 -6.216 -5.226 9.944 1.00 0.81 C ATOM 0 H PHE A 94 -1.242 -5.625 7.753 1.00 0.52 H new ATOM 0 HA PHE A 94 -2.757 -8.165 7.649 1.00 0.50 H new ATOM 0 HB2 PHE A 94 -3.403 -5.610 6.134 1.00 0.51 H new ATOM 0 HB3 PHE A 94 -4.276 -7.126 6.042 1.00 0.51 H new ATOM 0 HD1 PHE A 94 -5.266 -8.017 8.309 1.00 0.68 H new ATOM 0 HD2 PHE A 94 -4.117 -3.969 7.631 1.00 0.66 H new ATOM 0 HE1 PHE A 94 -6.722 -7.298 10.149 1.00 0.78 H new ATOM 0 HE2 PHE A 94 -5.576 -3.246 9.470 1.00 0.78 H new ATOM 0 HZ PHE A 94 -6.833 -4.911 10.773 1.00 0.81 H new ATOM 1527 N PRO A 95 -0.592 -8.479 6.158 1.00 0.48 N ATOM 1528 CA PRO A 95 0.342 -8.879 5.096 1.00 0.51 C ATOM 1529 C PRO A 95 -0.356 -9.465 3.866 1.00 0.47 C ATOM 1530 O PRO A 95 0.232 -9.539 2.788 1.00 0.51 O ATOM 1531 CB PRO A 95 1.208 -9.955 5.760 1.00 0.64 C ATOM 1532 CG PRO A 95 1.077 -9.709 7.221 1.00 0.65 C ATOM 1533 CD PRO A 95 -0.310 -9.174 7.424 1.00 0.59 C ATOM 0 HA PRO A 95 0.899 -8.019 4.723 1.00 0.51 H new ATOM 0 HB2 PRO A 95 0.865 -10.955 5.496 1.00 0.64 H new ATOM 0 HB3 PRO A 95 2.247 -9.879 5.439 1.00 0.64 H new ATOM 0 HG2 PRO A 95 1.228 -10.628 7.787 1.00 0.65 H new ATOM 0 HG3 PRO A 95 1.825 -8.996 7.566 1.00 0.65 H new ATOM 0 HD2 PRO A 95 -1.026 -9.974 7.612 1.00 0.59 H new ATOM 0 HD3 PRO A 95 -0.359 -8.495 8.275 1.00 0.59 H new ATOM 1541 N GLN A 96 -1.609 -9.862 4.021 1.00 0.45 N ATOM 1542 CA GLN A 96 -2.330 -10.536 2.949 1.00 0.44 C ATOM 1543 C GLN A 96 -3.061 -9.548 2.041 1.00 0.39 C ATOM 1544 O GLN A 96 -3.966 -9.936 1.298 1.00 0.43 O ATOM 1545 CB GLN A 96 -3.328 -11.536 3.529 1.00 0.53 C ATOM 1546 CG GLN A 96 -2.690 -12.578 4.430 1.00 1.06 C ATOM 1547 CD GLN A 96 -3.679 -13.631 4.891 1.00 1.54 C ATOM 1548 OE1 GLN A 96 -4.621 -13.975 4.174 1.00 2.05 O ATOM 1549 NE2 GLN A 96 -3.483 -14.141 6.098 1.00 2.31 N ATOM 0 H GLN A 96 -2.149 -9.730 4.877 1.00 0.45 H new ATOM 0 HA GLN A 96 -1.591 -11.063 2.345 1.00 0.44 H new ATOM 0 HB2 GLN A 96 -4.086 -10.994 4.094 1.00 0.53 H new ATOM 0 HB3 GLN A 96 -3.841 -12.041 2.711 1.00 0.53 H new ATOM 0 HG2 GLN A 96 -1.871 -13.062 3.897 1.00 1.06 H new ATOM 0 HG3 GLN A 96 -2.257 -12.085 5.300 1.00 1.06 H new ATOM 0 HE21 GLN A 96 -2.691 -13.830 6.661 1.00 2.31 H new ATOM 0 HE22 GLN A 96 -4.124 -14.845 6.465 1.00 2.31 H new ATOM 1558 N LEU A 97 -2.684 -8.276 2.103 1.00 0.44 N ATOM 1559 CA LEU A 97 -3.312 -7.271 1.258 1.00 0.54 C ATOM 1560 C LEU A 97 -2.482 -7.011 0.007 1.00 0.63 C ATOM 1561 O LEU A 97 -1.248 -7.053 0.035 1.00 1.25 O ATOM 1562 CB LEU A 97 -3.578 -5.965 2.040 1.00 0.69 C ATOM 1563 CG LEU A 97 -2.360 -5.246 2.642 1.00 0.86 C ATOM 1564 CD1 LEU A 97 -1.585 -4.482 1.581 1.00 1.56 C ATOM 1565 CD2 LEU A 97 -2.802 -4.299 3.745 1.00 1.35 C ATOM 0 H LEU A 97 -1.955 -7.920 2.722 1.00 0.44 H new ATOM 0 HA LEU A 97 -4.278 -7.662 0.939 1.00 0.54 H new ATOM 0 HB2 LEU A 97 -4.085 -5.269 1.372 1.00 0.69 H new ATOM 0 HB3 LEU A 97 -4.271 -6.192 2.850 1.00 0.69 H new ATOM 0 HG LEU A 97 -1.699 -6.005 3.061 1.00 0.86 H new ATOM 0 HD11 LEU A 97 -0.731 -3.986 2.041 1.00 1.56 H new ATOM 0 HD12 LEU A 97 -1.234 -5.176 0.817 1.00 1.56 H new ATOM 0 HD13 LEU A 97 -2.234 -3.736 1.123 1.00 1.56 H new ATOM 0 HD21 LEU A 97 -1.930 -3.796 4.163 1.00 1.35 H new ATOM 0 HD22 LEU A 97 -3.487 -3.557 3.335 1.00 1.35 H new ATOM 0 HD23 LEU A 97 -3.306 -4.864 4.529 1.00 1.35 H new ATOM 1577 N HIS A 98 -3.172 -6.775 -1.096 1.00 0.38 N ATOM 1578 CA HIS A 98 -2.523 -6.414 -2.343 1.00 0.38 C ATOM 1579 C HIS A 98 -2.209 -4.931 -2.336 1.00 0.43 C ATOM 1580 O HIS A 98 -3.106 -4.092 -2.222 1.00 0.49 O ATOM 1581 CB HIS A 98 -3.411 -6.771 -3.535 1.00 0.38 C ATOM 1582 CG HIS A 98 -3.651 -8.240 -3.669 1.00 0.37 C ATOM 1583 ND1 HIS A 98 -4.354 -8.938 -2.722 1.00 0.49 N ATOM 1584 CD2 HIS A 98 -3.234 -9.094 -4.628 1.00 0.46 C ATOM 1585 CE1 HIS A 98 -4.341 -10.195 -3.123 1.00 0.47 C ATOM 1586 NE2 HIS A 98 -3.677 -10.339 -4.274 1.00 0.46 N ATOM 0 H HIS A 98 -4.189 -6.828 -1.152 1.00 0.38 H new ATOM 0 HA HIS A 98 -1.594 -6.976 -2.438 1.00 0.38 H new ATOM 0 HB2 HIS A 98 -4.369 -6.260 -3.433 1.00 0.38 H new ATOM 0 HB3 HIS A 98 -2.948 -6.400 -4.449 1.00 0.38 H new ATOM 0 HD2 HIS A 98 -2.660 -8.842 -5.507 1.00 0.46 H new ATOM 0 HE1 HIS A 98 -4.809 -11.007 -2.587 1.00 0.47 H new ATOM 0 HE2 HIS A 98 -3.529 -11.208 -4.788 1.00 0.46 H new ATOM 1594 N CYS A 99 -0.931 -4.617 -2.434 1.00 0.50 N ATOM 1595 CA CYS A 99 -0.466 -3.248 -2.324 1.00 0.56 C ATOM 1596 C CYS A 99 -0.736 -2.463 -3.602 1.00 0.41 C ATOM 1597 O CYS A 99 -0.916 -3.036 -4.681 1.00 0.38 O ATOM 1598 CB CYS A 99 1.021 -3.242 -1.983 1.00 0.76 C ATOM 1599 SG CYS A 99 1.402 -4.078 -0.426 1.00 1.19 S ATOM 0 H CYS A 99 -0.190 -5.300 -2.591 1.00 0.50 H new ATOM 0 HA CYS A 99 -1.018 -2.756 -1.524 1.00 0.56 H new ATOM 0 HB2 CYS A 99 1.574 -3.723 -2.790 1.00 0.76 H new ATOM 0 HB3 CYS A 99 1.370 -2.211 -1.928 1.00 0.76 H new ATOM 0 HG CYS A 99 2.666 -3.940 -0.157 1.00 1.19 H new ATOM 1605 N LEU A 100 -0.765 -1.147 -3.453 1.00 0.43 N ATOM 1606 CA LEU A 100 -1.116 -0.240 -4.530 1.00 0.39 C ATOM 1607 C LEU A 100 0.039 -0.064 -5.485 1.00 0.28 C ATOM 1608 O LEU A 100 1.111 0.349 -5.070 1.00 0.27 O ATOM 1609 CB LEU A 100 -1.458 1.132 -3.960 1.00 0.58 C ATOM 1610 CG LEU A 100 -2.574 1.165 -2.931 1.00 0.66 C ATOM 1611 CD1 LEU A 100 -2.703 2.555 -2.335 1.00 1.53 C ATOM 1612 CD2 LEU A 100 -3.868 0.759 -3.580 1.00 0.93 C ATOM 0 H LEU A 100 -0.544 -0.678 -2.575 1.00 0.43 H new ATOM 0 HA LEU A 100 -1.970 -0.667 -5.057 1.00 0.39 H new ATOM 0 HB2 LEU A 100 -0.559 1.549 -3.506 1.00 0.58 H new ATOM 0 HB3 LEU A 100 -1.732 1.789 -4.786 1.00 0.58 H new ATOM 0 HG LEU A 100 -2.338 0.466 -2.128 1.00 0.66 H new ATOM 0 HD11 LEU A 100 -3.507 2.562 -1.599 1.00 1.53 H new ATOM 0 HD12 LEU A 100 -1.766 2.832 -1.851 1.00 1.53 H new ATOM 0 HD13 LEU A 100 -2.928 3.270 -3.126 1.00 1.53 H new ATOM 0 HD21 LEU A 100 -4.669 0.783 -2.841 1.00 0.93 H new ATOM 0 HD22 LEU A 100 -4.101 1.450 -4.390 1.00 0.93 H new ATOM 0 HD23 LEU A 100 -3.773 -0.251 -3.980 1.00 0.93 H new ATOM 1624 N ASN A 101 -0.167 -0.348 -6.755 1.00 0.29 N ATOM 1625 CA ASN A 101 0.841 -0.020 -7.743 1.00 0.29 C ATOM 1626 C ASN A 101 0.707 1.445 -8.089 1.00 0.29 C ATOM 1627 O ASN A 101 -0.058 1.839 -8.976 1.00 0.37 O ATOM 1628 CB ASN A 101 0.721 -0.895 -8.995 1.00 0.34 C ATOM 1629 CG ASN A 101 1.843 -0.634 -9.989 1.00 0.46 C ATOM 1630 OD1 ASN A 101 2.951 -0.258 -9.610 1.00 1.34 O ATOM 1631 ND2 ASN A 101 1.565 -0.844 -11.267 1.00 0.83 N ATOM 0 H ASN A 101 -1.006 -0.796 -7.123 1.00 0.29 H new ATOM 0 HA ASN A 101 1.829 -0.217 -7.326 1.00 0.29 H new ATOM 0 HB2 ASN A 101 0.733 -1.945 -8.704 1.00 0.34 H new ATOM 0 HB3 ASN A 101 -0.239 -0.708 -9.476 1.00 0.34 H new ATOM 0 HD21 ASN A 101 2.282 -0.694 -11.976 1.00 0.83 H new ATOM 0 HD22 ASN A 101 0.634 -1.156 -11.542 1.00 0.83 H new ATOM 1638 N VAL A 102 1.424 2.246 -7.332 1.00 0.28 N ATOM 1639 CA VAL A 102 1.370 3.678 -7.456 1.00 0.30 C ATOM 1640 C VAL A 102 2.650 4.178 -8.099 1.00 0.31 C ATOM 1641 O VAL A 102 3.399 3.409 -8.698 1.00 0.35 O ATOM 1642 CB VAL A 102 1.190 4.358 -6.079 1.00 0.32 C ATOM 1643 CG1 VAL A 102 -0.014 3.795 -5.354 1.00 0.86 C ATOM 1644 CG2 VAL A 102 2.442 4.207 -5.231 1.00 0.91 C ATOM 0 H VAL A 102 2.064 1.916 -6.610 1.00 0.28 H new ATOM 0 HA VAL A 102 0.511 3.932 -8.077 1.00 0.30 H new ATOM 0 HB VAL A 102 1.021 5.421 -6.250 1.00 0.32 H new ATOM 0 HG11 VAL A 102 -0.121 4.288 -4.388 1.00 0.86 H new ATOM 0 HG12 VAL A 102 -0.910 3.966 -5.950 1.00 0.86 H new ATOM 0 HG13 VAL A 102 0.121 2.724 -5.202 1.00 0.86 H new ATOM 0 HG21 VAL A 102 2.290 4.694 -4.268 1.00 0.91 H new ATOM 0 HG22 VAL A 102 2.650 3.149 -5.074 1.00 0.91 H new ATOM 0 HG23 VAL A 102 3.286 4.670 -5.742 1.00 0.91 H new ATOM 1654 N GLY A 103 2.895 5.459 -7.949 1.00 0.35 N ATOM 1655 CA GLY A 103 4.056 6.064 -8.542 1.00 0.41 C ATOM 1656 C GLY A 103 3.816 6.400 -9.995 1.00 0.48 C ATOM 1657 O GLY A 103 2.717 6.811 -10.374 1.00 0.65 O ATOM 0 H GLY A 103 2.303 6.099 -7.420 1.00 0.35 H new ATOM 0 HA2 GLY A 103 4.317 6.970 -7.995 1.00 0.41 H new ATOM 0 HA3 GLY A 103 4.905 5.386 -8.458 1.00 0.41 H new ATOM 1661 N SER A 104 4.828 6.208 -10.810 1.00 0.78 N ATOM 1662 CA SER A 104 4.707 6.424 -12.235 1.00 0.88 C ATOM 1663 C SER A 104 4.900 5.091 -12.941 1.00 1.00 C ATOM 1664 O SER A 104 5.138 4.081 -12.284 1.00 1.10 O ATOM 1665 CB SER A 104 5.738 7.456 -12.712 1.00 0.91 C ATOM 1666 OG SER A 104 5.572 7.769 -14.086 1.00 1.52 O ATOM 0 H SER A 104 5.752 5.900 -10.508 1.00 0.78 H new ATOM 0 HA SER A 104 3.719 6.820 -12.470 1.00 0.88 H new ATOM 0 HB2 SER A 104 5.644 8.365 -12.118 1.00 0.91 H new ATOM 0 HB3 SER A 104 6.743 7.069 -12.546 1.00 0.91 H new ATOM 0 HG SER A 104 6.244 8.430 -14.354 1.00 1.52 H new ATOM 1672 N SER A 105 4.802 5.070 -14.257 1.00 1.06 N ATOM 1673 CA SER A 105 5.020 3.841 -14.997 1.00 1.19 C ATOM 1674 C SER A 105 6.440 3.326 -14.764 1.00 1.14 C ATOM 1675 O SER A 105 6.664 2.123 -14.631 1.00 1.20 O ATOM 1676 CB SER A 105 4.749 4.075 -16.482 1.00 1.36 C ATOM 1677 OG SER A 105 5.312 5.306 -16.912 1.00 1.77 O ATOM 0 H SER A 105 4.575 5.882 -14.831 1.00 1.06 H new ATOM 0 HA SER A 105 4.328 3.078 -14.641 1.00 1.19 H new ATOM 0 HB2 SER A 105 5.168 3.255 -17.066 1.00 1.36 H new ATOM 0 HB3 SER A 105 3.674 4.079 -16.663 1.00 1.36 H new ATOM 0 HG SER A 105 5.128 5.434 -17.866 1.00 1.77 H new ATOM 1683 N ILE A 106 7.392 4.252 -14.684 1.00 1.10 N ATOM 1684 CA ILE A 106 8.778 3.900 -14.412 1.00 1.09 C ATOM 1685 C ILE A 106 8.980 3.533 -12.938 1.00 0.89 C ATOM 1686 O ILE A 106 9.574 2.501 -12.626 1.00 0.95 O ATOM 1687 CB ILE A 106 9.746 5.043 -14.809 1.00 1.18 C ATOM 1688 CG1 ILE A 106 9.302 6.383 -14.198 1.00 1.25 C ATOM 1689 CG2 ILE A 106 9.837 5.150 -16.324 1.00 1.67 C ATOM 1690 CD1 ILE A 106 10.236 7.535 -14.504 1.00 1.60 C ATOM 0 H ILE A 106 7.226 5.251 -14.804 1.00 1.10 H new ATOM 0 HA ILE A 106 9.009 3.028 -15.024 1.00 1.09 H new ATOM 0 HB ILE A 106 10.734 4.807 -14.413 1.00 1.18 H new ATOM 0 HG12 ILE A 106 8.306 6.627 -14.567 1.00 1.25 H new ATOM 0 HG13 ILE A 106 9.222 6.270 -13.117 1.00 1.25 H new ATOM 0 HG21 ILE A 106 10.520 5.956 -16.591 1.00 1.67 H new ATOM 0 HG22 ILE A 106 10.207 4.210 -16.734 1.00 1.67 H new ATOM 0 HG23 ILE A 106 8.849 5.360 -16.734 1.00 1.67 H new ATOM 0 HD11 ILE A 106 9.856 8.445 -14.039 1.00 1.60 H new ATOM 0 HD12 ILE A 106 11.228 7.314 -14.110 1.00 1.60 H new ATOM 0 HD13 ILE A 106 10.297 7.677 -15.583 1.00 1.60 H new ATOM 1702 N LYS A 107 8.478 4.369 -12.032 1.00 0.77 N ATOM 1703 CA LYS A 107 8.523 4.068 -10.619 1.00 0.65 C ATOM 1704 C LYS A 107 7.319 3.224 -10.235 1.00 0.58 C ATOM 1705 O LYS A 107 6.312 3.741 -9.756 1.00 0.59 O ATOM 1706 CB LYS A 107 8.540 5.374 -9.819 1.00 0.80 C ATOM 1707 CG LYS A 107 8.628 5.184 -8.313 1.00 0.52 C ATOM 1708 CD LYS A 107 9.572 6.189 -7.704 1.00 1.41 C ATOM 1709 CE LYS A 107 10.905 5.541 -7.452 1.00 1.58 C ATOM 1710 NZ LYS A 107 11.942 6.508 -7.012 1.00 2.62 N ATOM 0 H LYS A 107 8.036 5.260 -12.260 1.00 0.77 H new ATOM 0 HA LYS A 107 9.428 3.505 -10.393 1.00 0.65 H new ATOM 0 HB2 LYS A 107 9.387 5.977 -10.148 1.00 0.80 H new ATOM 0 HB3 LYS A 107 7.637 5.940 -10.050 1.00 0.80 H new ATOM 0 HG2 LYS A 107 7.638 5.292 -7.869 1.00 0.52 H new ATOM 0 HG3 LYS A 107 8.970 4.174 -8.088 1.00 0.52 H new ATOM 0 HD2 LYS A 107 9.692 7.042 -8.372 1.00 1.41 H new ATOM 0 HD3 LYS A 107 9.160 6.571 -6.770 1.00 1.41 H new ATOM 0 HE2 LYS A 107 10.790 4.768 -6.692 1.00 1.58 H new ATOM 0 HE3 LYS A 107 11.241 5.045 -8.363 1.00 1.58 H new ATOM 0 HZ1 LYS A 107 12.848 6.012 -6.886 1.00 2.62 H new ATOM 0 HZ2 LYS A 107 12.051 7.251 -7.731 1.00 2.62 H new ATOM 0 HZ3 LYS A 107 11.655 6.939 -6.110 1.00 2.62 H new ATOM 1724 N SER A 108 7.440 1.925 -10.444 1.00 0.56 N ATOM 1725 CA SER A 108 6.388 1.000 -10.075 1.00 0.54 C ATOM 1726 C SER A 108 6.533 0.646 -8.606 1.00 0.48 C ATOM 1727 O SER A 108 7.284 -0.262 -8.248 1.00 0.55 O ATOM 1728 CB SER A 108 6.472 -0.261 -10.936 1.00 0.63 C ATOM 1729 OG SER A 108 6.551 0.071 -12.312 1.00 1.12 O ATOM 0 H SER A 108 8.258 1.488 -10.868 1.00 0.56 H new ATOM 0 HA SER A 108 5.416 1.465 -10.241 1.00 0.54 H new ATOM 0 HB2 SER A 108 7.346 -0.845 -10.648 1.00 0.63 H new ATOM 0 HB3 SER A 108 5.597 -0.887 -10.758 1.00 0.63 H new ATOM 0 HG SER A 108 6.606 -0.750 -12.844 1.00 1.12 H new ATOM 1735 N ILE A 109 5.834 1.376 -7.757 1.00 0.39 N ATOM 1736 CA ILE A 109 5.972 1.188 -6.327 1.00 0.36 C ATOM 1737 C ILE A 109 4.669 0.707 -5.713 1.00 0.32 C ATOM 1738 O ILE A 109 3.611 1.289 -5.929 1.00 0.38 O ATOM 1739 CB ILE A 109 6.449 2.479 -5.624 1.00 0.37 C ATOM 1740 CG1 ILE A 109 5.715 3.706 -6.173 1.00 0.32 C ATOM 1741 CG2 ILE A 109 7.957 2.630 -5.775 1.00 0.54 C ATOM 1742 CD1 ILE A 109 6.076 4.998 -5.471 1.00 0.39 C ATOM 0 H ILE A 109 5.170 2.100 -8.031 1.00 0.39 H new ATOM 0 HA ILE A 109 6.733 0.422 -6.176 1.00 0.36 H new ATOM 0 HB ILE A 109 6.214 2.403 -4.562 1.00 0.37 H new ATOM 0 HG12 ILE A 109 5.938 3.806 -7.235 1.00 0.32 H new ATOM 0 HG13 ILE A 109 4.641 3.544 -6.086 1.00 0.32 H new ATOM 0 HG21 ILE A 109 8.283 3.543 -5.276 1.00 0.54 H new ATOM 0 HG22 ILE A 109 8.456 1.772 -5.324 1.00 0.54 H new ATOM 0 HG23 ILE A 109 8.213 2.683 -6.833 1.00 0.54 H new ATOM 0 HD11 ILE A 109 5.517 5.822 -5.915 1.00 0.39 H new ATOM 0 HD12 ILE A 109 5.827 4.919 -4.413 1.00 0.39 H new ATOM 0 HD13 ILE A 109 7.144 5.185 -5.580 1.00 0.39 H new ATOM 1754 N LEU A 110 4.765 -0.370 -4.953 1.00 0.33 N ATOM 1755 CA LEU A 110 3.599 -0.987 -4.349 1.00 0.34 C ATOM 1756 C LEU A 110 3.452 -0.506 -2.914 1.00 0.35 C ATOM 1757 O LEU A 110 4.301 -0.787 -2.069 1.00 0.41 O ATOM 1758 CB LEU A 110 3.725 -2.517 -4.367 1.00 0.43 C ATOM 1759 CG LEU A 110 3.652 -3.193 -5.744 1.00 0.47 C ATOM 1760 CD1 LEU A 110 4.849 -2.833 -6.612 1.00 1.01 C ATOM 1761 CD2 LEU A 110 3.565 -4.698 -5.577 1.00 1.08 C ATOM 0 H LEU A 110 5.646 -0.838 -4.739 1.00 0.33 H new ATOM 0 HA LEU A 110 2.718 -0.702 -4.925 1.00 0.34 H new ATOM 0 HB2 LEU A 110 4.674 -2.787 -3.904 1.00 0.43 H new ATOM 0 HB3 LEU A 110 2.935 -2.932 -3.741 1.00 0.43 H new ATOM 0 HG LEU A 110 2.756 -2.829 -6.247 1.00 0.47 H new ATOM 0 HD11 LEU A 110 4.761 -3.331 -7.578 1.00 1.01 H new ATOM 0 HD12 LEU A 110 4.879 -1.754 -6.761 1.00 1.01 H new ATOM 0 HD13 LEU A 110 5.766 -3.157 -6.120 1.00 1.01 H new ATOM 0 HD21 LEU A 110 3.514 -5.171 -6.558 1.00 1.08 H new ATOM 0 HD22 LEU A 110 4.447 -5.057 -5.047 1.00 1.08 H new ATOM 0 HD23 LEU A 110 2.671 -4.950 -5.006 1.00 1.08 H new ATOM 1773 N LEU A 111 2.374 0.205 -2.632 1.00 0.31 N ATOM 1774 CA LEU A 111 2.185 0.798 -1.320 1.00 0.34 C ATOM 1775 C LEU A 111 1.087 0.072 -0.560 1.00 0.36 C ATOM 1776 O LEU A 111 -0.046 -0.010 -1.029 1.00 0.46 O ATOM 1777 CB LEU A 111 1.838 2.291 -1.437 1.00 0.34 C ATOM 1778 CG LEU A 111 2.853 3.156 -2.199 1.00 0.32 C ATOM 1779 CD1 LEU A 111 2.719 4.619 -1.813 1.00 0.38 C ATOM 1780 CD2 LEU A 111 4.264 2.674 -1.955 1.00 0.43 C ATOM 0 H LEU A 111 1.618 0.385 -3.292 1.00 0.31 H new ATOM 0 HA LEU A 111 3.122 0.700 -0.771 1.00 0.34 H new ATOM 0 HB2 LEU A 111 0.870 2.382 -1.929 1.00 0.34 H new ATOM 0 HB3 LEU A 111 1.724 2.698 -0.432 1.00 0.34 H new ATOM 0 HG LEU A 111 2.637 3.062 -3.263 1.00 0.32 H new ATOM 0 HD11 LEU A 111 3.449 5.210 -2.367 1.00 0.38 H new ATOM 0 HD12 LEU A 111 1.714 4.968 -2.051 1.00 0.38 H new ATOM 0 HD13 LEU A 111 2.898 4.731 -0.744 1.00 0.38 H new ATOM 0 HD21 LEU A 111 4.964 3.303 -2.506 1.00 0.43 H new ATOM 0 HD22 LEU A 111 4.488 2.728 -0.890 1.00 0.43 H new ATOM 0 HD23 LEU A 111 4.360 1.642 -2.294 1.00 0.43 H new ATOM 1792 N PRO A 112 1.428 -0.498 0.606 1.00 0.30 N ATOM 1793 CA PRO A 112 0.464 -1.175 1.474 1.00 0.29 C ATOM 1794 C PRO A 112 -0.762 -0.315 1.744 1.00 0.27 C ATOM 1795 O PRO A 112 -0.672 0.738 2.381 1.00 0.30 O ATOM 1796 CB PRO A 112 1.250 -1.414 2.762 1.00 0.33 C ATOM 1797 CG PRO A 112 2.668 -1.495 2.317 1.00 0.53 C ATOM 1798 CD PRO A 112 2.791 -0.537 1.165 1.00 0.33 C ATOM 0 HA PRO A 112 0.078 -2.090 1.025 1.00 0.29 H new ATOM 0 HB2 PRO A 112 1.102 -0.603 3.475 1.00 0.33 H new ATOM 0 HB3 PRO A 112 0.935 -2.333 3.256 1.00 0.33 H new ATOM 0 HG2 PRO A 112 3.348 -1.224 3.125 1.00 0.53 H new ATOM 0 HG3 PRO A 112 2.925 -2.509 2.011 1.00 0.53 H new ATOM 0 HD2 PRO A 112 3.118 0.449 1.495 1.00 0.33 H new ATOM 0 HD3 PRO A 112 3.517 -0.884 0.430 1.00 0.33 H new ATOM 1806 N ILE A 113 -1.904 -0.781 1.251 1.00 0.27 N ATOM 1807 CA ILE A 113 -3.166 -0.059 1.373 1.00 0.27 C ATOM 1808 C ILE A 113 -3.514 0.208 2.848 1.00 0.29 C ATOM 1809 O ILE A 113 -4.274 1.125 3.163 1.00 0.31 O ATOM 1810 CB ILE A 113 -4.313 -0.822 0.651 1.00 0.29 C ATOM 1811 CG1 ILE A 113 -5.593 0.017 0.628 1.00 0.31 C ATOM 1812 CG2 ILE A 113 -4.569 -2.186 1.284 1.00 0.30 C ATOM 1813 CD1 ILE A 113 -6.823 -0.746 0.188 1.00 0.45 C ATOM 0 H ILE A 113 -1.982 -1.669 0.756 1.00 0.27 H new ATOM 0 HA ILE A 113 -3.048 0.908 0.884 1.00 0.27 H new ATOM 0 HB ILE A 113 -3.996 -0.994 -0.378 1.00 0.29 H new ATOM 0 HG12 ILE A 113 -5.767 0.422 1.625 1.00 0.31 H new ATOM 0 HG13 ILE A 113 -5.447 0.866 -0.040 1.00 0.31 H new ATOM 0 HG21 ILE A 113 -5.377 -2.688 0.752 1.00 0.30 H new ATOM 0 HG22 ILE A 113 -3.664 -2.791 1.224 1.00 0.30 H new ATOM 0 HG23 ILE A 113 -4.849 -2.055 2.329 1.00 0.30 H new ATOM 0 HD11 ILE A 113 -7.687 -0.081 0.199 1.00 0.45 H new ATOM 0 HD12 ILE A 113 -6.672 -1.129 -0.821 1.00 0.45 H new ATOM 0 HD13 ILE A 113 -6.998 -1.579 0.869 1.00 0.45 H new ATOM 1825 N GLU A 114 -2.928 -0.592 3.741 1.00 0.32 N ATOM 1826 CA GLU A 114 -3.100 -0.431 5.186 1.00 0.39 C ATOM 1827 C GLU A 114 -2.716 0.984 5.640 1.00 0.38 C ATOM 1828 O GLU A 114 -3.378 1.572 6.497 1.00 0.46 O ATOM 1829 CB GLU A 114 -2.223 -1.455 5.921 1.00 0.47 C ATOM 1830 CG GLU A 114 -2.448 -1.509 7.425 1.00 0.73 C ATOM 1831 CD GLU A 114 -1.360 -2.281 8.152 1.00 1.58 C ATOM 1832 OE1 GLU A 114 -1.197 -3.487 7.863 1.00 1.86 O ATOM 1833 OE2 GLU A 114 -0.661 -1.686 9.002 1.00 2.32 O ATOM 0 H GLU A 114 -2.321 -1.370 3.483 1.00 0.32 H new ATOM 0 HA GLU A 114 -4.151 -0.593 5.424 1.00 0.39 H new ATOM 0 HB2 GLU A 114 -2.411 -2.444 5.502 1.00 0.47 H new ATOM 0 HB3 GLU A 114 -1.175 -1.222 5.731 1.00 0.47 H new ATOM 0 HG2 GLU A 114 -2.492 -0.493 7.819 1.00 0.73 H new ATOM 0 HG3 GLU A 114 -3.414 -1.972 7.628 1.00 0.73 H new ATOM 1840 N LEU A 115 -1.667 1.538 5.035 1.00 0.32 N ATOM 1841 CA LEU A 115 -1.128 2.831 5.454 1.00 0.33 C ATOM 1842 C LEU A 115 -1.564 3.952 4.519 1.00 0.32 C ATOM 1843 O LEU A 115 -0.972 5.034 4.509 1.00 0.33 O ATOM 1844 CB LEU A 115 0.399 2.778 5.506 1.00 0.41 C ATOM 1845 CG LEU A 115 0.985 1.852 6.572 1.00 0.51 C ATOM 1846 CD1 LEU A 115 2.501 1.797 6.452 1.00 0.62 C ATOM 1847 CD2 LEU A 115 0.578 2.320 7.960 1.00 0.58 C ATOM 0 H LEU A 115 -1.172 1.111 4.252 1.00 0.32 H new ATOM 0 HA LEU A 115 -1.523 3.041 6.448 1.00 0.33 H new ATOM 0 HB2 LEU A 115 0.768 2.462 4.531 1.00 0.41 H new ATOM 0 HB3 LEU A 115 0.775 3.786 5.678 1.00 0.41 H new ATOM 0 HG LEU A 115 0.590 0.848 6.415 1.00 0.51 H new ATOM 0 HD11 LEU A 115 2.903 1.134 7.218 1.00 0.62 H new ATOM 0 HD12 LEU A 115 2.775 1.421 5.466 1.00 0.62 H new ATOM 0 HD13 LEU A 115 2.913 2.797 6.586 1.00 0.62 H new ATOM 0 HD21 LEU A 115 1.003 1.651 8.709 1.00 0.58 H new ATOM 0 HD22 LEU A 115 0.948 3.332 8.126 1.00 0.58 H new ATOM 0 HD23 LEU A 115 -0.509 2.313 8.042 1.00 0.58 H new ATOM 1859 N CYS A 116 -2.595 3.701 3.737 1.00 0.37 N ATOM 1860 CA CYS A 116 -3.060 4.685 2.777 1.00 0.39 C ATOM 1861 C CYS A 116 -4.341 5.354 3.258 1.00 0.34 C ATOM 1862 O CYS A 116 -5.273 4.687 3.714 1.00 0.38 O ATOM 1863 CB CYS A 116 -3.287 4.025 1.420 1.00 0.48 C ATOM 1864 SG CYS A 116 -1.852 3.123 0.796 1.00 0.86 S ATOM 0 H CYS A 116 -3.125 2.830 3.746 1.00 0.37 H new ATOM 0 HA CYS A 116 -2.294 5.454 2.676 1.00 0.39 H new ATOM 0 HB2 CYS A 116 -4.130 3.338 1.497 1.00 0.48 H new ATOM 0 HB3 CYS A 116 -3.565 4.791 0.696 1.00 0.48 H new ATOM 0 HG CYS A 116 -0.789 3.495 1.446 1.00 0.86 H new ATOM 1870 N SER A 117 -4.372 6.675 3.173 1.00 0.32 N ATOM 1871 CA SER A 117 -5.563 7.435 3.510 1.00 0.29 C ATOM 1872 C SER A 117 -6.203 7.981 2.240 1.00 0.24 C ATOM 1873 O SER A 117 -5.641 8.845 1.568 1.00 0.29 O ATOM 1874 CB SER A 117 -5.202 8.579 4.459 1.00 0.35 C ATOM 1875 OG SER A 117 -4.431 8.110 5.557 1.00 0.97 O ATOM 0 H SER A 117 -3.581 7.244 2.872 1.00 0.32 H new ATOM 0 HA SER A 117 -6.277 6.780 4.010 1.00 0.29 H new ATOM 0 HB2 SER A 117 -4.643 9.342 3.917 1.00 0.35 H new ATOM 0 HB3 SER A 117 -6.113 9.052 4.826 1.00 0.35 H new ATOM 0 HG SER A 117 -3.530 8.493 5.511 1.00 0.97 H new ATOM 1881 N ILE A 118 -7.370 7.462 1.906 1.00 0.19 N ATOM 1882 CA ILE A 118 -8.096 7.915 0.739 1.00 0.21 C ATOM 1883 C ILE A 118 -8.961 9.111 1.118 1.00 0.32 C ATOM 1884 O ILE A 118 -9.871 9.003 1.941 1.00 0.38 O ATOM 1885 CB ILE A 118 -8.961 6.784 0.120 1.00 0.23 C ATOM 1886 CG1 ILE A 118 -9.731 7.307 -1.097 1.00 0.29 C ATOM 1887 CG2 ILE A 118 -9.919 6.184 1.141 1.00 0.28 C ATOM 1888 CD1 ILE A 118 -10.466 6.228 -1.866 1.00 0.35 C ATOM 0 H ILE A 118 -7.836 6.722 2.431 1.00 0.19 H new ATOM 0 HA ILE A 118 -7.374 8.212 -0.022 1.00 0.21 H new ATOM 0 HB ILE A 118 -8.287 5.991 -0.202 1.00 0.23 H new ATOM 0 HG12 ILE A 118 -10.449 8.057 -0.766 1.00 0.29 H new ATOM 0 HG13 ILE A 118 -9.034 7.808 -1.769 1.00 0.29 H new ATOM 0 HG21 ILE A 118 -10.507 5.396 0.670 1.00 0.28 H new ATOM 0 HG22 ILE A 118 -9.350 5.765 1.971 1.00 0.28 H new ATOM 0 HG23 ILE A 118 -10.587 6.961 1.514 1.00 0.28 H new ATOM 0 HD11 ILE A 118 -10.987 6.675 -2.713 1.00 0.35 H new ATOM 0 HD12 ILE A 118 -9.752 5.489 -2.229 1.00 0.35 H new ATOM 0 HD13 ILE A 118 -11.189 5.742 -1.211 1.00 0.35 H new ATOM 1900 N GLU A 119 -8.642 10.267 0.558 1.00 0.45 N ATOM 1901 CA GLU A 119 -9.390 11.470 0.870 1.00 0.61 C ATOM 1902 C GLU A 119 -10.742 11.453 0.164 1.00 0.83 C ATOM 1903 O GLU A 119 -10.945 10.672 -0.769 1.00 0.96 O ATOM 1904 CB GLU A 119 -8.592 12.731 0.515 1.00 0.82 C ATOM 1905 CG GLU A 119 -8.032 12.743 -0.897 1.00 1.47 C ATOM 1906 CD GLU A 119 -7.323 14.044 -1.221 1.00 1.78 C ATOM 1907 OE1 GLU A 119 -6.169 14.228 -0.780 1.00 1.66 O ATOM 1908 OE2 GLU A 119 -7.922 14.898 -1.910 1.00 2.44 O ATOM 0 H GLU A 119 -7.879 10.396 -0.107 1.00 0.45 H new ATOM 0 HA GLU A 119 -9.567 11.492 1.945 1.00 0.61 H new ATOM 0 HB2 GLU A 119 -9.235 13.602 0.645 1.00 0.82 H new ATOM 0 HB3 GLU A 119 -7.768 12.835 1.221 1.00 0.82 H new ATOM 0 HG2 GLU A 119 -7.336 11.912 -1.017 1.00 1.47 H new ATOM 0 HG3 GLU A 119 -8.842 12.586 -1.609 1.00 1.47 H new ATOM 1915 N GLU A 120 -11.656 12.300 0.618 1.00 1.06 N ATOM 1916 CA GLU A 120 -13.045 12.278 0.160 1.00 1.32 C ATOM 1917 C GLU A 120 -13.172 12.298 -1.363 1.00 1.65 C ATOM 1918 O GLU A 120 -13.942 11.523 -1.942 1.00 1.92 O ATOM 1919 CB GLU A 120 -13.823 13.444 0.778 1.00 1.73 C ATOM 1920 CG GLU A 120 -13.143 14.797 0.627 1.00 2.13 C ATOM 1921 CD GLU A 120 -13.897 15.898 1.330 1.00 2.61 C ATOM 1922 OE1 GLU A 120 -14.097 15.792 2.556 1.00 2.72 O ATOM 1923 OE2 GLU A 120 -14.278 16.882 0.666 1.00 3.11 O ATOM 0 H GLU A 120 -11.460 13.021 1.312 1.00 1.06 H new ATOM 0 HA GLU A 120 -13.474 11.334 0.495 1.00 1.32 H new ATOM 0 HB2 GLU A 120 -14.810 13.492 0.317 1.00 1.73 H new ATOM 0 HB3 GLU A 120 -13.976 13.243 1.838 1.00 1.73 H new ATOM 0 HG2 GLU A 120 -12.131 14.739 1.028 1.00 2.13 H new ATOM 0 HG3 GLU A 120 -13.053 15.040 -0.432 1.00 2.13 H new ATOM 1930 N GLY A 121 -12.409 13.169 -2.009 1.00 1.79 N ATOM 1931 CA GLY A 121 -12.482 13.291 -3.450 1.00 2.29 C ATOM 1932 C GLY A 121 -13.722 14.037 -3.892 1.00 2.43 C ATOM 1933 O GLY A 121 -14.133 13.949 -5.047 1.00 3.05 O ATOM 0 H GLY A 121 -11.740 13.794 -1.559 1.00 1.79 H new ATOM 0 HA2 GLY A 121 -11.596 13.811 -3.815 1.00 2.29 H new ATOM 0 HA3 GLY A 121 -12.477 12.298 -3.899 1.00 2.29 H new ATOM 1937 N GLN A 122 -14.321 14.771 -2.963 1.00 2.55 N ATOM 1938 CA GLN A 122 -15.521 15.541 -3.249 1.00 3.50 C ATOM 1939 C GLN A 122 -15.170 16.776 -4.069 1.00 4.00 C ATOM 1940 O GLN A 122 -16.005 17.316 -4.790 1.00 4.71 O ATOM 1941 CB GLN A 122 -16.217 15.943 -1.945 1.00 4.26 C ATOM 1942 CG GLN A 122 -16.703 14.760 -1.115 1.00 4.41 C ATOM 1943 CD GLN A 122 -17.864 14.024 -1.759 1.00 5.12 C ATOM 1944 OE1 GLN A 122 -18.679 14.621 -2.460 1.00 5.26 O ATOM 1945 NE2 GLN A 122 -17.949 12.722 -1.533 1.00 5.89 N ATOM 0 H GLN A 122 -13.992 14.848 -2.001 1.00 2.55 H new ATOM 0 HA GLN A 122 -16.205 14.922 -3.829 1.00 3.50 H new ATOM 0 HB2 GLN A 122 -15.528 16.537 -1.345 1.00 4.26 H new ATOM 0 HB3 GLN A 122 -17.067 16.583 -2.181 1.00 4.26 H new ATOM 0 HG2 GLN A 122 -15.877 14.065 -0.964 1.00 4.41 H new ATOM 0 HG3 GLN A 122 -17.006 15.114 -0.129 1.00 4.41 H new ATOM 0 HE21 GLN A 122 -17.255 12.260 -0.946 1.00 5.89 H new ATOM 0 HE22 GLN A 122 -18.709 12.181 -1.946 1.00 5.89 H new ATOM 1954 N ALA A 123 -13.922 17.205 -3.953 1.00 4.01 N ATOM 1955 CA ALA A 123 -13.417 18.336 -4.713 1.00 4.97 C ATOM 1956 C ALA A 123 -12.067 17.984 -5.325 1.00 5.11 C ATOM 1957 O ALA A 123 -11.976 17.882 -6.561 1.00 5.43 O ATOM 1958 CB ALA A 123 -13.301 19.570 -3.828 1.00 5.74 C ATOM 1959 OXT ALA A 123 -11.110 17.762 -4.555 1.00 5.29 O ATOM 0 H ALA A 123 -13.234 16.780 -3.331 1.00 4.01 H new ATOM 0 HA ALA A 123 -14.119 18.563 -5.515 1.00 4.97 H new ATOM 0 HB1 ALA A 123 -12.921 20.405 -4.416 1.00 5.74 H new ATOM 0 HB2 ALA A 123 -14.283 19.824 -3.428 1.00 5.74 H new ATOM 0 HB3 ALA A 123 -12.616 19.365 -3.005 1.00 5.74 H new TER 1965 ALA A 123 ATOM 1966 P A B 204 11.960 3.302 -4.346 1.00 0.94 P ATOM 1967 OP1 A B 204 11.957 2.147 -5.276 1.00 1.39 O ATOM 1968 OP2 A B 204 11.953 4.685 -4.890 1.00 1.43 O ATOM 1969 O5' A B 204 10.725 3.159 -3.351 1.00 0.74 O ATOM 1970 C5' A B 204 9.717 4.161 -3.229 1.00 0.54 C ATOM 1971 C4' A B 204 9.785 4.752 -1.847 1.00 0.57 C ATOM 1972 O4' A B 204 10.827 5.757 -1.842 1.00 0.80 O ATOM 1973 C3' A B 204 8.534 5.469 -1.367 1.00 0.71 C ATOM 1974 O3' A B 204 8.387 5.341 0.043 1.00 0.83 O ATOM 1975 C2' A B 204 8.741 6.925 -1.781 1.00 0.92 C ATOM 1976 O2' A B 204 8.351 7.815 -0.755 1.00 1.25 O ATOM 1977 C1' A B 204 10.255 7.041 -1.974 1.00 0.96 C ATOM 1978 N9 A B 204 10.651 7.603 -3.266 1.00 1.03 N ATOM 1979 C8 A B 204 11.919 7.672 -3.788 1.00 1.20 C ATOM 1980 N7 A B 204 11.980 8.281 -4.947 1.00 1.33 N ATOM 1981 C5 A B 204 10.666 8.636 -5.209 1.00 1.23 C ATOM 1982 C6 A B 204 10.066 9.309 -6.288 1.00 1.33 C ATOM 1983 N6 A B 204 10.741 9.764 -7.345 1.00 1.54 N ATOM 1984 N1 A B 204 8.729 9.501 -6.241 1.00 1.27 N ATOM 1985 C2 A B 204 8.053 9.045 -5.179 1.00 1.14 C ATOM 1986 N3 A B 204 8.505 8.400 -4.107 1.00 1.03 N ATOM 1987 C4 A B 204 9.834 8.224 -4.182 1.00 1.06 C ATOM 0 H5' A B 204 8.732 3.729 -3.407 1.00 0.54 H new ATOM 0 H5'' A B 204 9.864 4.938 -3.979 1.00 0.54 H new ATOM 0 H4' A B 204 9.949 3.900 -1.187 1.00 0.57 H new ATOM 0 H3' A B 204 7.623 5.052 -1.797 1.00 0.71 H new ATOM 0 H2' A B 204 8.155 7.176 -2.665 1.00 0.92 H new ATOM 0 HO2' A B 204 7.428 8.106 -0.908 1.00 1.25 H new ATOM 0 H1' A B 204 10.615 7.732 -1.212 1.00 0.96 H new ATOM 0 H8 A B 204 12.785 7.263 -3.290 1.00 1.20 H new ATOM 0 H61 A B 204 10.247 10.245 -8.097 1.00 1.54 H new ATOM 0 H62 A B 204 11.751 9.631 -7.401 1.00 1.54 H new ATOM 0 H2 A B 204 6.989 9.227 -5.195 1.00 1.14 H new ATOM 1999 P C B 205 6.940 5.048 0.679 1.00 0.79 P ATOM 2000 OP1 C B 205 6.033 6.145 0.245 1.00 1.29 O ATOM 2001 OP2 C B 205 7.112 4.773 2.128 1.00 0.93 O ATOM 2002 O5' C B 205 6.462 3.705 -0.031 1.00 0.93 O ATOM 2003 C5' C B 205 7.271 2.531 -0.021 1.00 0.77 C ATOM 2004 C4' C B 205 7.604 2.128 -1.438 1.00 0.68 C ATOM 2005 O4' C B 205 9.046 2.089 -1.582 1.00 0.58 O ATOM 2006 C3' C B 205 7.108 0.753 -1.883 1.00 0.90 C ATOM 2007 O3' C B 205 6.342 0.850 -3.077 1.00 1.30 O ATOM 2008 C2' C B 205 8.375 -0.069 -2.118 1.00 0.66 C ATOM 2009 O2' C B 205 8.240 -0.939 -3.227 1.00 0.92 O ATOM 2010 C1' C B 205 9.372 1.036 -2.460 1.00 0.54 C ATOM 2011 N1 C B 205 10.785 0.673 -2.252 1.00 0.66 N ATOM 2012 C2 C B 205 11.348 -0.358 -3.018 1.00 0.97 C ATOM 2013 O2 C B 205 10.652 -0.935 -3.867 1.00 1.09 O ATOM 2014 N3 C B 205 12.646 -0.687 -2.825 1.00 1.23 N ATOM 2015 C4 C B 205 13.376 -0.033 -1.922 1.00 1.21 C ATOM 2016 N4 C B 205 14.655 -0.393 -1.780 1.00 1.53 N ATOM 2017 C5 C B 205 12.832 1.023 -1.134 1.00 0.96 C ATOM 2018 C6 C B 205 11.545 1.337 -1.331 1.00 0.71 C ATOM 0 H5' C B 205 6.745 1.720 0.484 1.00 0.77 H new ATOM 0 H5'' C B 205 8.188 2.714 0.540 1.00 0.77 H new ATOM 0 H4' C B 205 7.098 2.871 -2.054 1.00 0.68 H new ATOM 0 H3' C B 205 6.456 0.297 -1.138 1.00 0.90 H new ATOM 0 H2' C B 205 8.643 -0.707 -1.276 1.00 0.66 H new ATOM 0 HO2' C B 205 8.940 -0.742 -3.884 1.00 0.92 H new ATOM 0 HO3' C B 205 6.839 0.444 -3.818 1.00 1.30 H new ATOM 0 H1' C B 205 9.292 1.275 -3.520 1.00 0.54 H new ATOM 0 H41 C B 205 15.246 0.084 -1.099 1.00 1.53 H new ATOM 0 H42 C B 205 15.040 -1.144 -2.352 1.00 1.53 H new ATOM 0 H5 C B 205 13.434 1.549 -0.407 1.00 0.96 H new ATOM 0 H6 C B 205 11.099 2.131 -0.750 1.00 0.71 H new TER 2031 C B 205