USER MOD reduce.3.24.130724 H: found=0, std=0, add=1029, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 1031 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 27 TYR OH : rot 180:sc= 0.078 USER MOD Set 1.2: A 53 LYS NZ :NH3+ -108:sc= 0.965 (180deg=-0.0436) USER MOD Set 2.1: A 9 THR OG1 : rot 33:sc= -0.105 USER MOD Set 2.2: A 83 GLN : amide:sc= -0.729 K(o=-0.83,f=-5.6!) USER MOD Single : A 2 LYS NZ :NH3+ 177:sc= -0.999 (180deg=-1.05) USER MOD Single : A 8 ASN : amide:sc= -0.0156 X(o=-0.016,f=-0.026) USER MOD Single : A 10 ASN : amide:sc= -0.163 K(o=-0.16,f=-3.5!) USER MOD Single : A 11 ASN : amide:sc= -1.19! K(o=-1.2!,f=-0.35) USER MOD Single : A 16 LYS NZ :NH3+ 144:sc= 0.769 (180deg=0.172) USER MOD Single : A 17 LYS NZ :NH3+ 173:sc= -0.155 (180deg=-0.242) USER MOD Single : A 19 LYS NZ :NH3+ 157:sc= 0.75 (180deg=0.438) USER MOD Single : A 20 LYS NZ :NH3+ -173:sc=-0.00506 (180deg=-0.0607) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 25 GLN : amide:sc= -0.195 X(o=-0.2,f=0) USER MOD Single : A 28 GLN : amide:sc= 0.442 K(o=0.44,f=-3.2!) USER MOD Single : A 33 ASN : amide:sc= -0.0397 X(o=-0.04,f=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ -143:sc= 1.19 (180deg=-0.259) USER MOD Single : A 42 MET CE :methyl -163:sc= -0.608 (180deg=-0.964) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot -105:sc= 0.269 USER MOD Single : A 59 ASN : amide:sc= -2.34 K(o=-2.3,f=-3.1!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 MET CE :methyl -152:sc= -0.296 (180deg=-1.92) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ -122:sc= 0.395 (180deg=0.158) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= 0.252 K(o=0.25,f=-0.47) USER MOD Single : A 88 ASN : amide:sc= -0.309 K(o=-0.31,f=-2.9!) USER MOD Single : A 94 LYS NZ :NH3+ 143:sc= 0.948 (180deg=0.463) USER MOD Single : A 96 LYS NZ :NH3+ -167:sc= -0.0131 (180deg=-0.165) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 GLN : amide:sc= -0.111 X(o=-0.11,f=-0.32) USER MOD Single : A 102 TYR OH : rot -77:sc= 0.469 USER MOD Single : A 106 LYS NZ :NH3+ -173:sc= 0.812 (180deg=0.782) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 MET CE :methyl -168:sc= -1.72 (180deg=-2.34) USER MOD Single : A 122 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 123 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0259) USER MOD ----------------------------------------------------------------- ATOM 20 N LYS A 2 3.600 4.879 13.882 1.00 33.32 N ATOM 21 CA LYS A 2 3.494 3.747 12.954 1.00 14.35 C ATOM 22 C LYS A 2 3.206 4.273 11.537 1.00 24.15 C ATOM 23 O LYS A 2 2.241 5.022 11.314 1.00 41.44 O ATOM 24 CB LYS A 2 2.426 2.705 13.437 1.00 44.20 C ATOM 25 CG LYS A 2 0.928 3.115 13.307 1.00 10.33 C ATOM 26 CD LYS A 2 0.010 2.537 14.421 1.00 55.42 C ATOM 27 CE LYS A 2 0.248 1.045 14.724 1.00 23.12 C ATOM 28 NZ LYS A 2 0.157 0.181 13.524 1.00 40.13 N ATOM 0 HA LYS A 2 4.443 3.212 12.931 1.00 14.35 H new ATOM 0 HB2 LYS A 2 2.575 1.783 12.876 1.00 44.20 H new ATOM 0 HB3 LYS A 2 2.625 2.477 14.484 1.00 44.20 H new ATOM 0 HG2 LYS A 2 0.858 4.203 13.322 1.00 10.33 H new ATOM 0 HG3 LYS A 2 0.555 2.785 12.337 1.00 10.33 H new ATOM 0 HD2 LYS A 2 0.162 3.111 15.335 1.00 55.42 H new ATOM 0 HD3 LYS A 2 -1.030 2.675 14.127 1.00 55.42 H new ATOM 0 HE2 LYS A 2 1.233 0.926 15.175 1.00 23.12 H new ATOM 0 HE3 LYS A 2 -0.482 0.710 15.460 1.00 23.12 H new ATOM 0 HZ1 LYS A 2 0.376 -0.801 13.786 1.00 40.13 H new ATOM 0 HZ2 LYS A 2 -0.806 0.228 13.134 1.00 40.13 H new ATOM 0 HZ3 LYS A 2 0.837 0.508 12.808 1.00 40.13 H new ATOM 42 N ILE A 3 4.090 3.935 10.593 1.00 14.12 N ATOM 43 CA ILE A 3 3.979 4.358 9.186 1.00 21.45 C ATOM 44 C ILE A 3 3.386 3.206 8.363 1.00 71.23 C ATOM 45 O ILE A 3 3.767 2.041 8.550 1.00 53.02 O ATOM 46 CB ILE A 3 5.377 4.829 8.640 1.00 52.14 C ATOM 47 CG1 ILE A 3 5.865 6.066 9.472 1.00 0.12 C ATOM 48 CG2 ILE A 3 5.321 5.148 7.125 1.00 45.13 C ATOM 49 CD1 ILE A 3 7.213 6.636 9.076 1.00 15.24 C ATOM 0 H ILE A 3 4.909 3.357 10.781 1.00 14.12 H new ATOM 0 HA ILE A 3 3.309 5.214 9.103 1.00 21.45 H new ATOM 0 HB ILE A 3 6.094 4.017 8.757 1.00 52.14 H new ATOM 0 HG12 ILE A 3 5.118 6.855 9.386 1.00 0.12 H new ATOM 0 HG13 ILE A 3 5.907 5.780 10.523 1.00 0.12 H new ATOM 0 HG21 ILE A 3 6.305 5.470 6.784 1.00 45.13 H new ATOM 0 HG22 ILE A 3 5.021 4.255 6.576 1.00 45.13 H new ATOM 0 HG23 ILE A 3 4.597 5.943 6.947 1.00 45.13 H new ATOM 0 HD11 ILE A 3 7.451 7.486 9.716 1.00 15.24 H new ATOM 0 HD12 ILE A 3 7.980 5.870 9.191 1.00 15.24 H new ATOM 0 HD13 ILE A 3 7.179 6.962 8.037 1.00 15.24 H new ATOM 61 N LEU A 4 2.431 3.534 7.475 1.00 60.14 N ATOM 62 CA LEU A 4 1.625 2.542 6.758 1.00 52.22 C ATOM 63 C LEU A 4 2.056 2.483 5.292 1.00 53.53 C ATOM 64 O LEU A 4 1.982 3.486 4.575 1.00 53.43 O ATOM 65 CB LEU A 4 0.116 2.890 6.877 1.00 1.24 C ATOM 66 CG LEU A 4 -0.440 3.065 8.329 1.00 3.23 C ATOM 67 CD1 LEU A 4 -1.946 3.360 8.299 1.00 10.34 C ATOM 68 CD2 LEU A 4 -0.128 1.845 9.225 1.00 5.52 C ATOM 0 H LEU A 4 2.199 4.498 7.237 1.00 60.14 H new ATOM 0 HA LEU A 4 1.784 1.561 7.205 1.00 52.22 H new ATOM 0 HB2 LEU A 4 -0.067 3.813 6.326 1.00 1.24 H new ATOM 0 HB3 LEU A 4 -0.457 2.105 6.383 1.00 1.24 H new ATOM 0 HG LEU A 4 0.071 3.920 8.772 1.00 3.23 H new ATOM 0 HD11 LEU A 4 -2.314 3.478 9.318 1.00 10.34 H new ATOM 0 HD12 LEU A 4 -2.126 4.278 7.739 1.00 10.34 H new ATOM 0 HD13 LEU A 4 -2.469 2.533 7.818 1.00 10.34 H new ATOM 0 HD21 LEU A 4 -0.534 2.013 10.223 1.00 5.52 H new ATOM 0 HD22 LEU A 4 -0.581 0.952 8.795 1.00 5.52 H new ATOM 0 HD23 LEU A 4 0.951 1.708 9.290 1.00 5.52 H new ATOM 80 N ILE A 5 2.551 1.322 4.859 1.00 24.22 N ATOM 81 CA ILE A 5 2.907 1.083 3.457 1.00 33.35 C ATOM 82 C ILE A 5 1.700 0.412 2.775 1.00 42.22 C ATOM 83 O ILE A 5 1.424 -0.764 3.008 1.00 32.34 O ATOM 84 CB ILE A 5 4.200 0.186 3.325 1.00 44.33 C ATOM 85 CG1 ILE A 5 5.360 0.701 4.247 1.00 11.15 C ATOM 86 CG2 ILE A 5 4.666 0.097 1.849 1.00 15.23 C ATOM 87 CD1 ILE A 5 5.834 2.119 3.967 1.00 51.15 C ATOM 0 H ILE A 5 2.717 0.521 5.469 1.00 24.22 H new ATOM 0 HA ILE A 5 3.141 2.031 2.972 1.00 33.35 H new ATOM 0 HB ILE A 5 3.936 -0.817 3.661 1.00 44.33 H new ATOM 0 HG12 ILE A 5 5.030 0.644 5.284 1.00 11.15 H new ATOM 0 HG13 ILE A 5 6.209 0.025 4.146 1.00 11.15 H new ATOM 0 HG21 ILE A 5 5.558 -0.526 1.786 1.00 15.23 H new ATOM 0 HG22 ILE A 5 3.873 -0.342 1.243 1.00 15.23 H new ATOM 0 HG23 ILE A 5 4.895 1.096 1.479 1.00 15.23 H new ATOM 0 HD11 ILE A 5 6.636 2.378 4.658 1.00 51.15 H new ATOM 0 HD12 ILE A 5 6.202 2.184 2.943 1.00 51.15 H new ATOM 0 HD13 ILE A 5 5.004 2.813 4.099 1.00 51.15 H new ATOM 99 N LEU A 6 0.954 1.181 1.975 1.00 11.24 N ATOM 100 CA LEU A 6 -0.249 0.689 1.279 1.00 20.44 C ATOM 101 C LEU A 6 0.212 0.166 -0.091 1.00 34.31 C ATOM 102 O LEU A 6 0.943 0.862 -0.784 1.00 62.11 O ATOM 103 CB LEU A 6 -1.290 1.849 1.124 1.00 21.22 C ATOM 104 CG LEU A 6 -2.819 1.483 1.152 1.00 20.05 C ATOM 105 CD1 LEU A 6 -3.204 0.354 0.166 1.00 21.51 C ATOM 106 CD2 LEU A 6 -3.279 1.169 2.588 1.00 52.42 C ATOM 0 H LEU A 6 1.163 2.162 1.789 1.00 11.24 H new ATOM 0 HA LEU A 6 -0.738 -0.107 1.841 1.00 20.44 H new ATOM 0 HB2 LEU A 6 -1.106 2.571 1.920 1.00 21.22 H new ATOM 0 HB3 LEU A 6 -1.086 2.356 0.181 1.00 21.22 H new ATOM 0 HG LEU A 6 -3.354 2.366 0.802 1.00 20.05 H new ATOM 0 HD11 LEU A 6 -4.273 0.155 0.240 1.00 21.51 H new ATOM 0 HD12 LEU A 6 -2.962 0.661 -0.851 1.00 21.51 H new ATOM 0 HD13 LEU A 6 -2.649 -0.551 0.414 1.00 21.51 H new ATOM 0 HD21 LEU A 6 -4.340 0.918 2.584 1.00 52.42 H new ATOM 0 HD22 LEU A 6 -2.709 0.325 2.977 1.00 52.42 H new ATOM 0 HD23 LEU A 6 -3.115 2.041 3.221 1.00 52.42 H new ATOM 118 N ILE A 7 -0.175 -1.062 -0.466 1.00 24.41 N ATOM 119 CA ILE A 7 0.221 -1.678 -1.752 1.00 63.45 C ATOM 120 C ILE A 7 -0.994 -2.352 -2.411 1.00 32.15 C ATOM 121 O ILE A 7 -1.742 -3.076 -1.755 1.00 54.32 O ATOM 122 CB ILE A 7 1.389 -2.731 -1.560 1.00 10.12 C ATOM 123 CG1 ILE A 7 2.644 -2.042 -0.929 1.00 74.14 C ATOM 124 CG2 ILE A 7 1.753 -3.440 -2.894 1.00 14.03 C ATOM 125 CD1 ILE A 7 3.828 -2.950 -0.694 1.00 42.12 C ATOM 0 H ILE A 7 -0.770 -1.659 0.108 1.00 24.41 H new ATOM 0 HA ILE A 7 0.591 -0.884 -2.401 1.00 63.45 H new ATOM 0 HB ILE A 7 1.034 -3.501 -0.876 1.00 10.12 H new ATOM 0 HG12 ILE A 7 2.956 -1.226 -1.581 1.00 74.14 H new ATOM 0 HG13 ILE A 7 2.354 -1.597 0.023 1.00 74.14 H new ATOM 0 HG21 ILE A 7 2.558 -4.154 -2.719 1.00 14.03 H new ATOM 0 HG22 ILE A 7 0.878 -3.966 -3.277 1.00 14.03 H new ATOM 0 HG23 ILE A 7 2.078 -2.698 -3.623 1.00 14.03 H new ATOM 0 HD11 ILE A 7 4.644 -2.377 -0.255 1.00 42.12 H new ATOM 0 HD12 ILE A 7 3.542 -3.753 -0.015 1.00 42.12 H new ATOM 0 HD13 ILE A 7 4.154 -3.376 -1.643 1.00 42.12 H new ATOM 137 N ASN A 8 -1.187 -2.087 -3.710 1.00 50.41 N ATOM 138 CA ASN A 8 -2.183 -2.761 -4.552 1.00 32.52 C ATOM 139 C ASN A 8 -1.442 -3.435 -5.702 1.00 54.22 C ATOM 140 O ASN A 8 -0.853 -2.752 -6.531 1.00 20.12 O ATOM 141 CB ASN A 8 -3.209 -1.738 -5.095 1.00 4.54 C ATOM 142 CG ASN A 8 -4.323 -2.355 -5.952 1.00 65.13 C ATOM 143 OD1 ASN A 8 -5.395 -2.703 -5.455 1.00 45.34 O ATOM 144 ND2 ASN A 8 -4.079 -2.497 -7.246 1.00 43.44 N ATOM 0 H ASN A 8 -0.645 -1.385 -4.214 1.00 50.41 H new ATOM 0 HA ASN A 8 -2.731 -3.503 -3.971 1.00 32.52 H new ATOM 0 HB2 ASN A 8 -3.662 -1.214 -4.254 1.00 4.54 H new ATOM 0 HB3 ASN A 8 -2.681 -0.992 -5.689 1.00 4.54 H new ATOM 0 HD21 ASN A 8 -4.788 -2.903 -7.857 1.00 43.44 H new ATOM 0 HD22 ASN A 8 -3.182 -2.200 -7.631 1.00 43.44 H new ATOM 151 N THR A 9 -1.452 -4.766 -5.736 1.00 73.30 N ATOM 152 CA THR A 9 -0.787 -5.548 -6.795 1.00 64.24 C ATOM 153 C THR A 9 -1.778 -6.515 -7.445 1.00 22.42 C ATOM 154 O THR A 9 -2.682 -7.035 -6.774 1.00 41.33 O ATOM 155 CB THR A 9 0.477 -6.307 -6.263 1.00 54.14 C ATOM 156 OG1 THR A 9 1.019 -7.146 -7.298 1.00 53.14 O ATOM 157 CG2 THR A 9 0.181 -7.145 -5.004 1.00 40.33 C ATOM 0 H THR A 9 -1.919 -5.340 -5.034 1.00 73.30 H new ATOM 0 HA THR A 9 -0.437 -4.846 -7.552 1.00 64.24 H new ATOM 0 HB THR A 9 1.208 -5.551 -5.978 1.00 54.14 H new ATOM 0 HG1 THR A 9 0.875 -6.724 -8.170 1.00 53.14 H new ATOM 0 HG21 THR A 9 1.092 -7.649 -4.680 1.00 40.33 H new ATOM 0 HG22 THR A 9 -0.176 -6.492 -4.208 1.00 40.33 H new ATOM 0 HG23 THR A 9 -0.583 -7.888 -5.233 1.00 40.33 H new ATOM 165 N ASN A 10 -1.606 -6.738 -8.760 1.00 25.30 N ATOM 166 CA ASN A 10 -2.462 -7.645 -9.551 1.00 74.41 C ATOM 167 C ASN A 10 -2.148 -9.118 -9.218 1.00 73.20 C ATOM 168 O ASN A 10 -2.996 -10.008 -9.358 1.00 54.11 O ATOM 169 CB ASN A 10 -2.232 -7.420 -11.075 1.00 52.42 C ATOM 170 CG ASN A 10 -2.223 -5.945 -11.495 1.00 52.23 C ATOM 171 OD1 ASN A 10 -1.164 -5.314 -11.534 1.00 13.45 O ATOM 172 ND2 ASN A 10 -3.385 -5.383 -11.803 1.00 51.12 N ATOM 0 H ASN A 10 -0.868 -6.294 -9.307 1.00 25.30 H new ATOM 0 HA ASN A 10 -3.499 -7.426 -9.298 1.00 74.41 H new ATOM 0 HB2 ASN A 10 -1.282 -7.874 -11.359 1.00 52.42 H new ATOM 0 HB3 ASN A 10 -3.013 -7.940 -11.630 1.00 52.42 H new ATOM 0 HD21 ASN A 10 -3.419 -4.402 -12.082 1.00 51.12 H new ATOM 0 HD22 ASN A 10 -4.244 -5.932 -11.761 1.00 51.12 H new ATOM 179 N ASN A 11 -0.905 -9.347 -8.768 1.00 13.23 N ATOM 180 CA ASN A 11 -0.304 -10.684 -8.670 1.00 51.20 C ATOM 181 C ASN A 11 -0.136 -11.135 -7.218 1.00 44.50 C ATOM 182 O ASN A 11 0.413 -10.403 -6.387 1.00 41.11 O ATOM 183 CB ASN A 11 1.074 -10.681 -9.382 1.00 61.20 C ATOM 184 CG ASN A 11 0.984 -10.355 -10.877 1.00 1.41 C ATOM 185 OD1 ASN A 11 0.006 -10.687 -11.548 1.00 42.21 O ATOM 186 ND2 ASN A 11 2.002 -9.708 -11.411 1.00 41.43 N ATOM 0 H ASN A 11 -0.283 -8.600 -8.459 1.00 13.23 H new ATOM 0 HA ASN A 11 -0.978 -11.390 -9.155 1.00 51.20 H new ATOM 0 HB2 ASN A 11 1.724 -9.953 -8.897 1.00 61.20 H new ATOM 0 HB3 ASN A 11 1.541 -11.658 -9.258 1.00 61.20 H new ATOM 0 HD21 ASN A 11 1.992 -9.471 -12.403 1.00 41.43 H new ATOM 0 HD22 ASN A 11 2.799 -9.445 -10.832 1.00 41.43 H new ATOM 193 N ASP A 12 -0.594 -12.370 -6.950 1.00 25.40 N ATOM 194 CA ASP A 12 -0.360 -13.078 -5.679 1.00 21.41 C ATOM 195 C ASP A 12 1.131 -13.412 -5.509 1.00 73.02 C ATOM 196 O ASP A 12 1.595 -13.630 -4.389 1.00 60.44 O ATOM 197 CB ASP A 12 -1.205 -14.371 -5.602 1.00 62.42 C ATOM 198 CG ASP A 12 -2.715 -14.109 -5.734 1.00 40.14 C ATOM 199 OD1 ASP A 12 -3.211 -14.025 -6.867 1.00 3.21 O ATOM 200 OD2 ASP A 12 -3.407 -13.987 -4.711 1.00 24.21 O ATOM 0 H ASP A 12 -1.144 -12.911 -7.618 1.00 25.40 H new ATOM 0 HA ASP A 12 -0.666 -12.417 -4.868 1.00 21.41 H new ATOM 0 HB2 ASP A 12 -0.889 -15.053 -6.392 1.00 62.42 H new ATOM 0 HB3 ASP A 12 -1.010 -14.870 -4.653 1.00 62.42 H new ATOM 205 N GLU A 13 1.869 -13.451 -6.638 1.00 41.20 N ATOM 206 CA GLU A 13 3.328 -13.631 -6.640 1.00 33.53 C ATOM 207 C GLU A 13 4.009 -12.422 -5.981 1.00 51.20 C ATOM 208 O GLU A 13 4.926 -12.580 -5.182 1.00 31.11 O ATOM 209 CB GLU A 13 3.855 -13.829 -8.080 1.00 14.10 C ATOM 210 CG GLU A 13 3.226 -15.021 -8.831 1.00 5.24 C ATOM 211 CD GLU A 13 3.357 -16.362 -8.080 1.00 33.13 C ATOM 212 OE1 GLU A 13 4.459 -16.942 -8.071 1.00 75.34 O ATOM 213 OE2 GLU A 13 2.362 -16.845 -7.502 1.00 21.34 O ATOM 0 H GLU A 13 1.467 -13.358 -7.571 1.00 41.20 H new ATOM 0 HA GLU A 13 3.567 -14.526 -6.066 1.00 33.53 H new ATOM 0 HB2 GLU A 13 3.671 -12.918 -8.650 1.00 14.10 H new ATOM 0 HB3 GLU A 13 4.935 -13.968 -8.042 1.00 14.10 H new ATOM 0 HG2 GLU A 13 2.170 -14.813 -9.006 1.00 5.24 H new ATOM 0 HG3 GLU A 13 3.699 -15.114 -9.809 1.00 5.24 H new ATOM 220 N LEU A 14 3.529 -11.212 -6.304 1.00 20.13 N ATOM 221 CA LEU A 14 4.062 -9.973 -5.709 1.00 52.13 C ATOM 222 C LEU A 14 3.591 -9.803 -4.260 1.00 44.44 C ATOM 223 O LEU A 14 4.295 -9.190 -3.467 1.00 40.12 O ATOM 224 CB LEU A 14 3.719 -8.730 -6.576 1.00 61.12 C ATOM 225 CG LEU A 14 4.712 -8.433 -7.744 1.00 74.04 C ATOM 226 CD1 LEU A 14 6.149 -8.270 -7.202 1.00 64.10 C ATOM 227 CD2 LEU A 14 4.640 -9.503 -8.862 1.00 60.52 C ATOM 0 H LEU A 14 2.774 -11.063 -6.973 1.00 20.13 H new ATOM 0 HA LEU A 14 5.148 -10.059 -5.689 1.00 52.13 H new ATOM 0 HB2 LEU A 14 2.722 -8.864 -6.995 1.00 61.12 H new ATOM 0 HB3 LEU A 14 3.677 -7.856 -5.927 1.00 61.12 H new ATOM 0 HG LEU A 14 4.411 -7.491 -8.202 1.00 74.04 H new ATOM 0 HD11 LEU A 14 6.829 -8.063 -8.029 1.00 64.10 H new ATOM 0 HD12 LEU A 14 6.179 -7.443 -6.493 1.00 64.10 H new ATOM 0 HD13 LEU A 14 6.455 -9.188 -6.701 1.00 64.10 H new ATOM 0 HD21 LEU A 14 5.349 -9.253 -9.651 1.00 60.52 H new ATOM 0 HD22 LEU A 14 4.889 -10.480 -8.447 1.00 60.52 H new ATOM 0 HD23 LEU A 14 3.632 -9.530 -9.275 1.00 60.52 H new ATOM 239 N ILE A 15 2.410 -10.354 -3.926 1.00 12.14 N ATOM 240 CA ILE A 15 1.938 -10.424 -2.529 1.00 63.41 C ATOM 241 C ILE A 15 2.962 -11.207 -1.683 1.00 61.32 C ATOM 242 O ILE A 15 3.590 -10.635 -0.797 1.00 41.43 O ATOM 243 CB ILE A 15 0.503 -11.078 -2.426 1.00 14.41 C ATOM 244 CG1 ILE A 15 -0.556 -10.172 -3.133 1.00 34.30 C ATOM 245 CG2 ILE A 15 0.089 -11.376 -0.960 1.00 35.42 C ATOM 246 CD1 ILE A 15 -1.977 -10.711 -3.127 1.00 3.23 C ATOM 0 H ILE A 15 1.764 -10.758 -4.604 1.00 12.14 H new ATOM 0 HA ILE A 15 1.850 -9.409 -2.143 1.00 63.41 H new ATOM 0 HB ILE A 15 0.547 -12.039 -2.938 1.00 14.41 H new ATOM 0 HG12 ILE A 15 -0.553 -9.194 -2.651 1.00 34.30 H new ATOM 0 HG13 ILE A 15 -0.247 -10.019 -4.167 1.00 34.30 H new ATOM 0 HG21 ILE A 15 -0.904 -11.824 -0.946 1.00 35.42 H new ATOM 0 HG22 ILE A 15 0.805 -12.066 -0.513 1.00 35.42 H new ATOM 0 HG23 ILE A 15 0.076 -10.447 -0.390 1.00 35.42 H new ATOM 0 HD11 ILE A 15 -2.634 -10.010 -3.641 1.00 3.23 H new ATOM 0 HD12 ILE A 15 -2.003 -11.674 -3.637 1.00 3.23 H new ATOM 0 HD13 ILE A 15 -2.314 -10.836 -2.098 1.00 3.23 H new ATOM 258 N LYS A 16 3.198 -12.478 -2.063 1.00 75.54 N ATOM 259 CA LYS A 16 4.021 -13.411 -1.269 1.00 11.42 C ATOM 260 C LYS A 16 5.490 -12.936 -1.157 1.00 30.00 C ATOM 261 O LYS A 16 6.102 -13.074 -0.092 1.00 33.13 O ATOM 262 CB LYS A 16 3.935 -14.848 -1.857 1.00 34.04 C ATOM 263 CG LYS A 16 4.551 -15.012 -3.263 1.00 12.34 C ATOM 264 CD LYS A 16 4.338 -16.411 -3.887 1.00 13.34 C ATOM 265 CE LYS A 16 2.853 -16.759 -4.093 1.00 61.45 C ATOM 266 NZ LYS A 16 2.675 -18.029 -4.852 1.00 3.53 N ATOM 0 H LYS A 16 2.827 -12.884 -2.922 1.00 75.54 H new ATOM 0 HA LYS A 16 3.618 -13.429 -0.257 1.00 11.42 H new ATOM 0 HB2 LYS A 16 4.435 -15.535 -1.174 1.00 34.04 H new ATOM 0 HB3 LYS A 16 2.887 -15.146 -1.898 1.00 34.04 H new ATOM 0 HG2 LYS A 16 4.121 -14.261 -3.926 1.00 12.34 H new ATOM 0 HG3 LYS A 16 5.621 -14.811 -3.205 1.00 12.34 H new ATOM 0 HD2 LYS A 16 4.852 -16.457 -4.847 1.00 13.34 H new ATOM 0 HD3 LYS A 16 4.796 -17.163 -3.244 1.00 13.34 H new ATOM 0 HE2 LYS A 16 2.363 -16.845 -3.123 1.00 61.45 H new ATOM 0 HE3 LYS A 16 2.361 -15.946 -4.627 1.00 61.45 H new ATOM 0 HZ1 LYS A 16 1.847 -18.540 -4.485 1.00 3.53 H new ATOM 0 HZ2 LYS A 16 2.531 -17.814 -5.859 1.00 3.53 H new ATOM 0 HZ3 LYS A 16 3.523 -18.621 -4.742 1.00 3.53 H new ATOM 280 N LYS A 17 6.031 -12.349 -2.254 1.00 44.11 N ATOM 281 CA LYS A 17 7.429 -11.875 -2.293 1.00 24.23 C ATOM 282 C LYS A 17 7.637 -10.630 -1.413 1.00 21.25 C ATOM 283 O LYS A 17 8.551 -10.609 -0.585 1.00 11.25 O ATOM 284 CB LYS A 17 7.882 -11.594 -3.743 1.00 60.31 C ATOM 285 CG LYS A 17 7.992 -12.858 -4.628 1.00 53.31 C ATOM 286 CD LYS A 17 8.492 -12.532 -6.052 1.00 23.03 C ATOM 287 CE LYS A 17 9.912 -11.938 -6.055 1.00 2.15 C ATOM 288 NZ LYS A 17 10.370 -11.565 -7.414 1.00 61.15 N ATOM 0 H LYS A 17 5.517 -12.195 -3.121 1.00 44.11 H new ATOM 0 HA LYS A 17 8.048 -12.675 -1.887 1.00 24.23 H new ATOM 0 HB2 LYS A 17 7.178 -10.901 -4.204 1.00 60.31 H new ATOM 0 HB3 LYS A 17 8.851 -11.095 -3.719 1.00 60.31 H new ATOM 0 HG2 LYS A 17 8.673 -13.569 -4.160 1.00 53.31 H new ATOM 0 HG3 LYS A 17 7.018 -13.342 -4.689 1.00 53.31 H new ATOM 0 HD2 LYS A 17 8.480 -13.440 -6.655 1.00 23.03 H new ATOM 0 HD3 LYS A 17 7.806 -11.828 -6.523 1.00 23.03 H new ATOM 0 HE2 LYS A 17 9.935 -11.057 -5.413 1.00 2.15 H new ATOM 0 HE3 LYS A 17 10.606 -12.662 -5.628 1.00 2.15 H new ATOM 0 HZ1 LYS A 17 11.279 -11.063 -7.349 1.00 61.15 H new ATOM 0 HZ2 LYS A 17 10.489 -12.424 -7.988 1.00 61.15 H new ATOM 0 HZ3 LYS A 17 9.664 -10.945 -7.860 1.00 61.15 H new ATOM 302 N ILE A 18 6.773 -9.608 -1.590 1.00 63.23 N ATOM 303 CA ILE A 18 6.855 -8.342 -0.824 1.00 12.44 C ATOM 304 C ILE A 18 6.683 -8.608 0.694 1.00 33.11 C ATOM 305 O ILE A 18 7.350 -7.971 1.516 1.00 53.33 O ATOM 306 CB ILE A 18 5.804 -7.287 -1.357 1.00 2.42 C ATOM 307 CG1 ILE A 18 6.192 -6.803 -2.802 1.00 15.31 C ATOM 308 CG2 ILE A 18 5.643 -6.085 -0.399 1.00 1.40 C ATOM 309 CD1 ILE A 18 5.173 -5.887 -3.478 1.00 60.32 C ATOM 0 H ILE A 18 6.005 -9.634 -2.261 1.00 63.23 H new ATOM 0 HA ILE A 18 7.846 -7.914 -0.973 1.00 12.44 H new ATOM 0 HB ILE A 18 4.837 -7.788 -1.402 1.00 2.42 H new ATOM 0 HG12 ILE A 18 7.147 -6.280 -2.748 1.00 15.31 H new ATOM 0 HG13 ILE A 18 6.343 -7.679 -3.433 1.00 15.31 H new ATOM 0 HG21 ILE A 18 4.911 -5.389 -0.809 1.00 1.40 H new ATOM 0 HG22 ILE A 18 5.303 -6.438 0.574 1.00 1.40 H new ATOM 0 HG23 ILE A 18 6.602 -5.579 -0.286 1.00 1.40 H new ATOM 0 HD11 ILE A 18 5.534 -5.610 -4.468 1.00 60.32 H new ATOM 0 HD12 ILE A 18 4.221 -6.409 -3.572 1.00 60.32 H new ATOM 0 HD13 ILE A 18 5.037 -4.988 -2.877 1.00 60.32 H new ATOM 321 N LYS A 19 5.824 -9.592 1.042 1.00 50.24 N ATOM 322 CA LYS A 19 5.609 -10.005 2.443 1.00 31.04 C ATOM 323 C LYS A 19 6.902 -10.551 3.082 1.00 1.45 C ATOM 324 O LYS A 19 7.159 -10.276 4.249 1.00 43.04 O ATOM 325 CB LYS A 19 4.464 -11.042 2.550 1.00 64.24 C ATOM 326 CG LYS A 19 3.076 -10.457 2.212 1.00 50.11 C ATOM 327 CD LYS A 19 1.932 -11.486 2.344 1.00 72.41 C ATOM 328 CE LYS A 19 1.728 -11.968 3.789 1.00 60.32 C ATOM 329 NZ LYS A 19 0.544 -12.855 3.913 1.00 3.42 N ATOM 0 H LYS A 19 5.267 -10.116 0.367 1.00 50.24 H new ATOM 0 HA LYS A 19 5.316 -9.115 3.000 1.00 31.04 H new ATOM 0 HB2 LYS A 19 4.673 -11.874 1.878 1.00 64.24 H new ATOM 0 HB3 LYS A 19 4.443 -11.447 3.562 1.00 64.24 H new ATOM 0 HG2 LYS A 19 2.874 -9.613 2.872 1.00 50.11 H new ATOM 0 HG3 LYS A 19 3.091 -10.069 1.194 1.00 50.11 H new ATOM 0 HD2 LYS A 19 1.006 -11.041 1.980 1.00 72.41 H new ATOM 0 HD3 LYS A 19 2.146 -12.344 1.706 1.00 72.41 H new ATOM 0 HE2 LYS A 19 2.618 -12.501 4.123 1.00 60.32 H new ATOM 0 HE3 LYS A 19 1.607 -11.107 4.446 1.00 60.32 H new ATOM 0 HZ1 LYS A 19 0.647 -13.456 4.755 1.00 3.42 H new ATOM 0 HZ2 LYS A 19 -0.315 -12.276 4.004 1.00 3.42 H new ATOM 0 HZ3 LYS A 19 0.469 -13.455 3.067 1.00 3.42 H new ATOM 343 N LYS A 20 7.715 -11.287 2.295 1.00 64.40 N ATOM 344 CA LYS A 20 9.011 -11.831 2.765 1.00 41.12 C ATOM 345 C LYS A 20 10.014 -10.693 3.001 1.00 32.11 C ATOM 346 O LYS A 20 10.666 -10.639 4.059 1.00 32.25 O ATOM 347 CB LYS A 20 9.597 -12.845 1.740 1.00 54.13 C ATOM 348 CG LYS A 20 8.766 -14.130 1.526 1.00 41.53 C ATOM 349 CD LYS A 20 8.570 -14.943 2.826 1.00 4.25 C ATOM 350 CE LYS A 20 7.820 -16.264 2.589 1.00 14.22 C ATOM 351 NZ LYS A 20 6.483 -16.049 1.970 1.00 71.20 N ATOM 0 H LYS A 20 7.497 -11.520 1.326 1.00 64.40 H new ATOM 0 HA LYS A 20 8.833 -12.353 3.705 1.00 41.12 H new ATOM 0 HB2 LYS A 20 9.708 -12.341 0.780 1.00 54.13 H new ATOM 0 HB3 LYS A 20 10.597 -13.130 2.068 1.00 54.13 H new ATOM 0 HG2 LYS A 20 7.790 -13.862 1.120 1.00 41.53 H new ATOM 0 HG3 LYS A 20 9.259 -14.756 0.783 1.00 41.53 H new ATOM 0 HD2 LYS A 20 9.544 -15.156 3.267 1.00 4.25 H new ATOM 0 HD3 LYS A 20 8.018 -14.340 3.547 1.00 4.25 H new ATOM 0 HE2 LYS A 20 8.418 -16.908 1.944 1.00 14.22 H new ATOM 0 HE3 LYS A 20 7.699 -16.786 3.538 1.00 14.22 H new ATOM 0 HZ1 LYS A 20 5.966 -16.951 1.938 1.00 71.20 H new ATOM 0 HZ2 LYS A 20 5.945 -15.362 2.536 1.00 71.20 H new ATOM 0 HZ3 LYS A 20 6.603 -15.684 1.004 1.00 71.20 H new ATOM 365 N GLU A 21 10.129 -9.805 1.978 1.00 5.31 N ATOM 366 CA GLU A 21 10.977 -8.592 2.026 1.00 64.13 C ATOM 367 C GLU A 21 10.787 -7.838 3.358 1.00 35.44 C ATOM 368 O GLU A 21 11.736 -7.656 4.118 1.00 2.51 O ATOM 369 CB GLU A 21 10.656 -7.624 0.842 1.00 31.45 C ATOM 370 CG GLU A 21 10.754 -8.235 -0.575 1.00 34.24 C ATOM 371 CD GLU A 21 12.129 -8.841 -0.912 1.00 44.34 C ATOM 372 OE1 GLU A 21 13.072 -8.078 -1.197 1.00 13.55 O ATOM 373 OE2 GLU A 21 12.273 -10.081 -0.899 1.00 34.44 O ATOM 0 H GLU A 21 9.632 -9.915 1.094 1.00 5.31 H new ATOM 0 HA GLU A 21 12.012 -8.924 1.942 1.00 64.13 H new ATOM 0 HB2 GLU A 21 9.647 -7.234 0.980 1.00 31.45 H new ATOM 0 HB3 GLU A 21 11.336 -6.774 0.898 1.00 31.45 H new ATOM 0 HG2 GLU A 21 9.994 -9.010 -0.677 1.00 34.24 H new ATOM 0 HG3 GLU A 21 10.522 -7.462 -1.308 1.00 34.24 H new ATOM 380 N VAL A 22 9.520 -7.520 3.664 1.00 0.53 N ATOM 381 CA VAL A 22 9.152 -6.632 4.786 1.00 72.03 C ATOM 382 C VAL A 22 9.073 -7.379 6.128 1.00 61.12 C ATOM 383 O VAL A 22 9.154 -6.750 7.189 1.00 12.30 O ATOM 384 CB VAL A 22 7.799 -5.894 4.482 1.00 14.44 C ATOM 385 CG1 VAL A 22 7.865 -5.214 3.100 1.00 45.22 C ATOM 386 CG2 VAL A 22 6.583 -6.840 4.572 1.00 43.01 C ATOM 0 H VAL A 22 8.717 -7.870 3.141 1.00 0.53 H new ATOM 0 HA VAL A 22 9.947 -5.893 4.882 1.00 72.03 H new ATOM 0 HB VAL A 22 7.661 -5.131 5.248 1.00 14.44 H new ATOM 0 HG11 VAL A 22 6.922 -4.705 2.899 1.00 45.22 H new ATOM 0 HG12 VAL A 22 8.678 -4.488 3.090 1.00 45.22 H new ATOM 0 HG13 VAL A 22 8.042 -5.967 2.332 1.00 45.22 H new ATOM 0 HG21 VAL A 22 5.672 -6.283 4.354 1.00 43.01 H new ATOM 0 HG22 VAL A 22 6.696 -7.648 3.849 1.00 43.01 H new ATOM 0 HG23 VAL A 22 6.521 -7.258 5.577 1.00 43.01 H new ATOM 396 N GLU A 23 8.914 -8.717 6.082 1.00 11.13 N ATOM 397 CA GLU A 23 8.901 -9.556 7.297 1.00 72.43 C ATOM 398 C GLU A 23 10.301 -9.575 7.939 1.00 34.32 C ATOM 399 O GLU A 23 10.438 -9.498 9.163 1.00 53.44 O ATOM 400 CB GLU A 23 8.431 -10.994 6.964 1.00 12.14 C ATOM 401 CG GLU A 23 8.321 -11.952 8.172 1.00 52.43 C ATOM 402 CD GLU A 23 7.299 -11.495 9.235 1.00 23.02 C ATOM 403 OE1 GLU A 23 6.087 -11.728 9.050 1.00 32.22 O ATOM 404 OE2 GLU A 23 7.700 -10.909 10.267 1.00 23.44 O ATOM 0 H GLU A 23 8.793 -9.240 5.215 1.00 11.13 H new ATOM 0 HA GLU A 23 8.196 -9.129 8.010 1.00 72.43 H new ATOM 0 HB2 GLU A 23 7.457 -10.936 6.478 1.00 12.14 H new ATOM 0 HB3 GLU A 23 9.123 -11.426 6.241 1.00 12.14 H new ATOM 0 HG2 GLU A 23 8.041 -12.943 7.814 1.00 52.43 H new ATOM 0 HG3 GLU A 23 9.301 -12.047 8.640 1.00 52.43 H new ATOM 411 N ASN A 24 11.334 -9.633 7.077 1.00 33.14 N ATOM 412 CA ASN A 24 12.748 -9.559 7.499 1.00 2.24 C ATOM 413 C ASN A 24 13.082 -8.150 8.051 1.00 40.21 C ATOM 414 O ASN A 24 14.047 -7.985 8.804 1.00 35.13 O ATOM 415 CB ASN A 24 13.686 -9.900 6.304 1.00 30.33 C ATOM 416 CG ASN A 24 13.478 -11.306 5.726 1.00 31.31 C ATOM 417 OD1 ASN A 24 13.109 -12.249 6.432 1.00 53.03 O ATOM 418 ND2 ASN A 24 13.723 -11.456 4.434 1.00 61.01 N ATOM 0 H ASN A 24 11.213 -9.732 6.069 1.00 33.14 H new ATOM 0 HA ASN A 24 12.906 -10.288 8.293 1.00 2.24 H new ATOM 0 HB2 ASN A 24 13.530 -9.167 5.513 1.00 30.33 H new ATOM 0 HB3 ASN A 24 14.722 -9.802 6.629 1.00 30.33 H new ATOM 0 HD21 ASN A 24 13.608 -12.370 3.996 1.00 61.01 H new ATOM 0 HD22 ASN A 24 14.027 -10.658 3.876 1.00 61.01 H new ATOM 425 N GLN A 25 12.269 -7.141 7.665 1.00 11.53 N ATOM 426 CA GLN A 25 12.451 -5.733 8.083 1.00 21.21 C ATOM 427 C GLN A 25 11.560 -5.384 9.296 1.00 73.41 C ATOM 428 O GLN A 25 11.702 -4.306 9.873 1.00 2.52 O ATOM 429 CB GLN A 25 12.130 -4.773 6.903 1.00 73.21 C ATOM 430 CG GLN A 25 12.811 -5.126 5.567 1.00 52.12 C ATOM 431 CD GLN A 25 14.336 -5.140 5.616 1.00 53.33 C ATOM 432 OE1 GLN A 25 14.981 -4.131 5.370 1.00 24.25 O ATOM 433 NE2 GLN A 25 14.926 -6.294 5.898 1.00 64.42 N ATOM 0 H GLN A 25 11.465 -7.281 7.053 1.00 11.53 H new ATOM 0 HA GLN A 25 13.493 -5.609 8.378 1.00 21.21 H new ATOM 0 HB2 GLN A 25 11.051 -4.759 6.750 1.00 73.21 H new ATOM 0 HB3 GLN A 25 12.425 -3.763 7.187 1.00 73.21 H new ATOM 0 HG2 GLN A 25 12.462 -6.107 5.244 1.00 52.12 H new ATOM 0 HG3 GLN A 25 12.491 -4.409 4.811 1.00 52.12 H new ATOM 0 HE21 GLN A 25 14.362 -7.120 6.099 1.00 64.42 H new ATOM 0 HE22 GLN A 25 15.944 -6.356 5.914 1.00 64.42 H new ATOM 442 N GLY A 26 10.667 -6.317 9.688 1.00 24.53 N ATOM 443 CA GLY A 26 9.690 -6.085 10.761 1.00 12.41 C ATOM 444 C GLY A 26 8.546 -5.156 10.355 1.00 33.15 C ATOM 445 O GLY A 26 8.522 -3.988 10.748 1.00 1.44 O ATOM 0 H GLY A 26 10.607 -7.245 9.270 1.00 24.53 H new ATOM 0 HA2 GLY A 26 9.275 -7.042 11.077 1.00 12.41 H new ATOM 0 HA3 GLY A 26 10.204 -5.660 11.623 1.00 12.41 H new ATOM 449 N TYR A 27 7.624 -5.680 9.528 1.00 74.30 N ATOM 450 CA TYR A 27 6.375 -4.993 9.113 1.00 50.14 C ATOM 451 C TYR A 27 5.240 -6.025 9.069 1.00 30.44 C ATOM 452 O TYR A 27 5.314 -6.979 8.281 1.00 10.13 O ATOM 453 CB TYR A 27 6.514 -4.316 7.704 1.00 11.42 C ATOM 454 CG TYR A 27 7.355 -3.028 7.673 1.00 43.44 C ATOM 455 CD1 TYR A 27 8.752 -3.072 7.671 1.00 32.34 C ATOM 456 CD2 TYR A 27 6.749 -1.765 7.662 1.00 72.31 C ATOM 457 CE1 TYR A 27 9.506 -1.920 7.666 1.00 11.15 C ATOM 458 CE2 TYR A 27 7.506 -0.610 7.655 1.00 60.44 C ATOM 459 CZ TYR A 27 8.881 -0.690 7.659 1.00 34.01 C ATOM 460 OH TYR A 27 9.638 0.466 7.673 1.00 62.01 O ATOM 0 H TYR A 27 7.722 -6.609 9.119 1.00 74.30 H new ATOM 0 HA TYR A 27 6.162 -4.206 9.836 1.00 50.14 H new ATOM 0 HB2 TYR A 27 6.957 -5.036 7.015 1.00 11.42 H new ATOM 0 HB3 TYR A 27 5.516 -4.088 7.329 1.00 11.42 H new ATOM 0 HD1 TYR A 27 9.251 -4.030 7.673 1.00 32.34 H new ATOM 0 HD2 TYR A 27 5.671 -1.693 7.659 1.00 72.31 H new ATOM 0 HE1 TYR A 27 10.584 -1.979 7.668 1.00 11.15 H new ATOM 0 HE2 TYR A 27 7.021 0.355 7.646 1.00 60.44 H new ATOM 0 HH TYR A 27 9.044 1.246 7.665 1.00 62.01 H new ATOM 470 N GLN A 28 4.214 -5.852 9.926 1.00 42.21 N ATOM 471 CA GLN A 28 3.016 -6.713 9.919 1.00 25.44 C ATOM 472 C GLN A 28 2.144 -6.411 8.686 1.00 24.21 C ATOM 473 O GLN A 28 1.526 -5.343 8.605 1.00 34.13 O ATOM 474 CB GLN A 28 2.168 -6.525 11.208 1.00 2.22 C ATOM 475 CG GLN A 28 2.801 -7.064 12.506 1.00 60.22 C ATOM 476 CD GLN A 28 1.888 -6.930 13.737 1.00 61.12 C ATOM 477 OE1 GLN A 28 1.045 -6.035 13.822 1.00 42.54 O ATOM 478 NE2 GLN A 28 2.069 -7.802 14.720 1.00 72.10 N ATOM 0 H GLN A 28 4.192 -5.119 10.635 1.00 42.21 H new ATOM 0 HA GLN A 28 3.360 -7.747 9.881 1.00 25.44 H new ATOM 0 HB2 GLN A 28 1.967 -5.462 11.337 1.00 2.22 H new ATOM 0 HB3 GLN A 28 1.206 -7.016 11.063 1.00 2.22 H new ATOM 0 HG2 GLN A 28 3.057 -8.114 12.367 1.00 60.22 H new ATOM 0 HG3 GLN A 28 3.733 -6.531 12.695 1.00 60.22 H new ATOM 0 HE21 GLN A 28 2.772 -8.535 14.628 1.00 72.10 H new ATOM 0 HE22 GLN A 28 1.505 -7.740 15.567 1.00 72.10 H new ATOM 487 N VAL A 29 2.114 -7.353 7.731 1.00 33.35 N ATOM 488 CA VAL A 29 1.240 -7.265 6.551 1.00 24.42 C ATOM 489 C VAL A 29 -0.196 -7.666 6.927 1.00 3.51 C ATOM 490 O VAL A 29 -0.401 -8.628 7.674 1.00 51.11 O ATOM 491 CB VAL A 29 1.744 -8.165 5.367 1.00 74.20 C ATOM 492 CG1 VAL A 29 0.819 -8.052 4.125 1.00 41.01 C ATOM 493 CG2 VAL A 29 3.198 -7.820 4.997 1.00 24.23 C ATOM 0 H VAL A 29 2.692 -8.193 7.754 1.00 33.35 H new ATOM 0 HA VAL A 29 1.262 -6.229 6.212 1.00 24.42 H new ATOM 0 HB VAL A 29 1.711 -9.200 5.707 1.00 74.20 H new ATOM 0 HG11 VAL A 29 1.201 -8.689 3.328 1.00 41.01 H new ATOM 0 HG12 VAL A 29 -0.189 -8.370 4.392 1.00 41.01 H new ATOM 0 HG13 VAL A 29 0.794 -7.017 3.783 1.00 41.01 H new ATOM 0 HG21 VAL A 29 3.525 -8.456 4.175 1.00 24.23 H new ATOM 0 HG22 VAL A 29 3.258 -6.775 4.693 1.00 24.23 H new ATOM 0 HG23 VAL A 29 3.842 -7.984 5.861 1.00 24.23 H new ATOM 503 N ARG A 30 -1.176 -6.906 6.421 1.00 61.12 N ATOM 504 CA ARG A 30 -2.607 -7.194 6.576 1.00 24.11 C ATOM 505 C ARG A 30 -3.205 -7.309 5.170 1.00 51.03 C ATOM 506 O ARG A 30 -3.260 -6.313 4.435 1.00 4.12 O ATOM 507 CB ARG A 30 -3.310 -6.065 7.383 1.00 33.32 C ATOM 508 CG ARG A 30 -2.683 -5.756 8.762 1.00 42.25 C ATOM 509 CD ARG A 30 -2.684 -6.955 9.725 1.00 12.23 C ATOM 510 NE ARG A 30 -2.004 -6.634 10.993 1.00 74.23 N ATOM 511 CZ ARG A 30 -2.607 -6.224 12.121 1.00 23.11 C ATOM 512 NH1 ARG A 30 -3.932 -6.078 12.183 1.00 61.33 N ATOM 513 NH2 ARG A 30 -1.874 -5.959 13.193 1.00 23.21 N ATOM 0 H ARG A 30 -0.993 -6.059 5.883 1.00 61.12 H new ATOM 0 HA ARG A 30 -2.752 -8.122 7.129 1.00 24.11 H new ATOM 0 HB2 ARG A 30 -3.302 -5.154 6.785 1.00 33.32 H new ATOM 0 HB3 ARG A 30 -4.354 -6.341 7.530 1.00 33.32 H new ATOM 0 HG2 ARG A 30 -1.657 -5.419 8.617 1.00 42.25 H new ATOM 0 HG3 ARG A 30 -3.228 -4.931 9.222 1.00 42.25 H new ATOM 0 HD2 ARG A 30 -3.711 -7.258 9.929 1.00 12.23 H new ATOM 0 HD3 ARG A 30 -2.190 -7.803 9.251 1.00 12.23 H new ATOM 0 HE ARG A 30 -0.989 -6.732 11.016 1.00 74.23 H new ATOM 0 HH11 ARG A 30 -4.506 -6.279 11.364 1.00 61.33 H new ATOM 0 HH12 ARG A 30 -4.371 -5.766 13.049 1.00 61.33 H new ATOM 0 HH21 ARG A 30 -0.860 -6.067 13.157 1.00 23.21 H new ATOM 0 HH22 ARG A 30 -2.324 -5.647 14.054 1.00 23.21 H new ATOM 527 N ASP A 31 -3.614 -8.521 4.787 1.00 34.24 N ATOM 528 CA ASP A 31 -4.096 -8.819 3.432 1.00 53.23 C ATOM 529 C ASP A 31 -5.618 -8.639 3.387 1.00 10.10 C ATOM 530 O ASP A 31 -6.362 -9.345 4.074 1.00 50.15 O ATOM 531 CB ASP A 31 -3.681 -10.256 3.027 1.00 70.45 C ATOM 532 CG ASP A 31 -2.157 -10.472 3.101 1.00 30.23 C ATOM 533 OD1 ASP A 31 -1.450 -10.218 2.099 1.00 33.23 O ATOM 534 OD2 ASP A 31 -1.659 -10.908 4.163 1.00 33.10 O ATOM 0 H ASP A 31 -3.621 -9.329 5.410 1.00 34.24 H new ATOM 0 HA ASP A 31 -3.646 -8.131 2.716 1.00 53.23 H new ATOM 0 HB2 ASP A 31 -4.179 -10.972 3.681 1.00 70.45 H new ATOM 0 HB3 ASP A 31 -4.025 -10.458 2.012 1.00 70.45 H new ATOM 539 N VAL A 32 -6.059 -7.686 2.563 1.00 4.50 N ATOM 540 CA VAL A 32 -7.456 -7.256 2.451 1.00 41.04 C ATOM 541 C VAL A 32 -7.921 -7.482 1.007 1.00 2.52 C ATOM 542 O VAL A 32 -7.378 -6.891 0.064 1.00 22.45 O ATOM 543 CB VAL A 32 -7.625 -5.737 2.839 1.00 54.00 C ATOM 544 CG1 VAL A 32 -9.102 -5.290 2.720 1.00 44.32 C ATOM 545 CG2 VAL A 32 -7.063 -5.456 4.257 1.00 14.23 C ATOM 0 H VAL A 32 -5.436 -7.177 1.936 1.00 4.50 H new ATOM 0 HA VAL A 32 -8.063 -7.840 3.143 1.00 41.04 H new ATOM 0 HB VAL A 32 -7.044 -5.146 2.131 1.00 54.00 H new ATOM 0 HG11 VAL A 32 -9.187 -4.238 2.994 1.00 44.32 H new ATOM 0 HG12 VAL A 32 -9.442 -5.426 1.693 1.00 44.32 H new ATOM 0 HG13 VAL A 32 -9.719 -5.890 3.389 1.00 44.32 H new ATOM 0 HG21 VAL A 32 -7.193 -4.401 4.497 1.00 14.23 H new ATOM 0 HG22 VAL A 32 -7.598 -6.063 4.987 1.00 14.23 H new ATOM 0 HG23 VAL A 32 -6.002 -5.706 4.284 1.00 14.23 H new ATOM 555 N ASN A 33 -8.909 -8.361 0.842 1.00 52.34 N ATOM 556 CA ASN A 33 -9.527 -8.674 -0.464 1.00 1.13 C ATOM 557 C ASN A 33 -11.024 -8.316 -0.453 1.00 74.44 C ATOM 558 O ASN A 33 -11.690 -8.387 -1.488 1.00 72.13 O ATOM 559 CB ASN A 33 -9.349 -10.181 -0.788 1.00 2.12 C ATOM 560 CG ASN A 33 -7.888 -10.598 -0.975 1.00 32.02 C ATOM 561 OD1 ASN A 33 -7.197 -10.940 -0.014 1.00 12.35 O ATOM 562 ND2 ASN A 33 -7.411 -10.586 -2.213 1.00 3.20 N ATOM 0 H ASN A 33 -9.314 -8.887 1.616 1.00 52.34 H new ATOM 0 HA ASN A 33 -9.031 -8.080 -1.232 1.00 1.13 H new ATOM 0 HB2 ASN A 33 -9.787 -10.771 0.017 1.00 2.12 H new ATOM 0 HB3 ASN A 33 -9.905 -10.417 -1.695 1.00 2.12 H new ATOM 0 HD21 ASN A 33 -6.446 -10.865 -2.391 1.00 3.20 H new ATOM 0 HD22 ASN A 33 -8.009 -10.298 -2.987 1.00 3.20 H new ATOM 569 N ASP A 34 -11.536 -7.891 0.712 1.00 61.24 N ATOM 570 CA ASP A 34 -12.983 -7.695 0.948 1.00 60.33 C ATOM 571 C ASP A 34 -13.234 -6.419 1.773 1.00 11.02 C ATOM 572 O ASP A 34 -12.440 -6.069 2.649 1.00 31.03 O ATOM 573 CB ASP A 34 -13.564 -8.956 1.660 1.00 0.15 C ATOM 574 CG ASP A 34 -14.974 -8.759 2.256 1.00 11.32 C ATOM 575 OD1 ASP A 34 -15.906 -8.349 1.530 1.00 65.13 O ATOM 576 OD2 ASP A 34 -15.148 -8.970 3.459 1.00 31.41 O ATOM 0 H ASP A 34 -10.959 -7.671 1.524 1.00 61.24 H new ATOM 0 HA ASP A 34 -13.491 -7.566 -0.008 1.00 60.33 H new ATOM 0 HB2 ASP A 34 -13.596 -9.779 0.946 1.00 0.15 H new ATOM 0 HB3 ASP A 34 -12.884 -9.253 2.458 1.00 0.15 H new ATOM 581 N SER A 35 -14.358 -5.742 1.459 1.00 14.10 N ATOM 582 CA SER A 35 -14.827 -4.524 2.142 1.00 61.35 C ATOM 583 C SER A 35 -15.032 -4.729 3.653 1.00 62.13 C ATOM 584 O SER A 35 -14.660 -3.873 4.443 1.00 45.43 O ATOM 585 CB SER A 35 -16.145 -4.051 1.482 1.00 2.51 C ATOM 586 OG SER A 35 -17.124 -5.084 1.495 1.00 1.25 O ATOM 0 H SER A 35 -14.978 -6.037 0.705 1.00 14.10 H new ATOM 0 HA SER A 35 -14.053 -3.764 2.035 1.00 61.35 H new ATOM 0 HB2 SER A 35 -16.527 -3.177 2.010 1.00 2.51 H new ATOM 0 HB3 SER A 35 -15.951 -3.743 0.455 1.00 2.51 H new ATOM 0 HG SER A 35 -17.947 -4.760 1.074 1.00 1.25 H new ATOM 592 N ASP A 36 -15.624 -5.871 4.040 1.00 60.01 N ATOM 593 CA ASP A 36 -15.955 -6.168 5.453 1.00 73.34 C ATOM 594 C ASP A 36 -14.679 -6.466 6.276 1.00 51.14 C ATOM 595 O ASP A 36 -14.641 -6.228 7.491 1.00 14.11 O ATOM 596 CB ASP A 36 -16.962 -7.349 5.517 1.00 3.25 C ATOM 597 CG ASP A 36 -17.538 -7.603 6.914 1.00 52.14 C ATOM 598 OD1 ASP A 36 -18.318 -6.756 7.393 1.00 14.33 O ATOM 599 OD2 ASP A 36 -17.236 -8.652 7.530 1.00 23.33 O ATOM 0 H ASP A 36 -15.887 -6.613 3.391 1.00 60.01 H new ATOM 0 HA ASP A 36 -16.422 -5.289 5.898 1.00 73.34 H new ATOM 0 HB2 ASP A 36 -17.783 -7.151 4.828 1.00 3.25 H new ATOM 0 HB3 ASP A 36 -16.466 -8.255 5.170 1.00 3.25 H new ATOM 604 N GLU A 37 -13.637 -6.982 5.595 1.00 74.35 N ATOM 605 CA GLU A 37 -12.303 -7.202 6.196 1.00 30.11 C ATOM 606 C GLU A 37 -11.487 -5.889 6.252 1.00 74.14 C ATOM 607 O GLU A 37 -10.620 -5.721 7.111 1.00 63.00 O ATOM 608 CB GLU A 37 -11.554 -8.308 5.421 1.00 22.42 C ATOM 609 CG GLU A 37 -12.299 -9.662 5.381 1.00 61.15 C ATOM 610 CD GLU A 37 -12.565 -10.269 6.778 1.00 72.13 C ATOM 611 OE1 GLU A 37 -13.620 -9.973 7.396 1.00 42.31 O ATOM 612 OE2 GLU A 37 -11.718 -11.054 7.263 1.00 33.33 O ATOM 0 H GLU A 37 -13.694 -7.258 4.615 1.00 74.35 H new ATOM 0 HA GLU A 37 -12.434 -7.534 7.226 1.00 30.11 H new ATOM 0 HB2 GLU A 37 -11.382 -7.969 4.399 1.00 22.42 H new ATOM 0 HB3 GLU A 37 -10.575 -8.457 5.876 1.00 22.42 H new ATOM 0 HG2 GLU A 37 -13.250 -9.528 4.866 1.00 61.15 H new ATOM 0 HG3 GLU A 37 -11.715 -10.370 4.793 1.00 61.15 H new ATOM 619 N LEU A 38 -11.789 -4.962 5.327 1.00 45.22 N ATOM 620 CA LEU A 38 -11.281 -3.572 5.367 1.00 55.10 C ATOM 621 C LEU A 38 -11.822 -2.864 6.622 1.00 35.42 C ATOM 622 O LEU A 38 -11.074 -2.201 7.347 1.00 24.41 O ATOM 623 CB LEU A 38 -11.681 -2.851 4.035 1.00 72.32 C ATOM 624 CG LEU A 38 -11.599 -1.275 3.956 1.00 33.14 C ATOM 625 CD1 LEU A 38 -11.350 -0.810 2.515 1.00 64.42 C ATOM 626 CD2 LEU A 38 -12.891 -0.588 4.478 1.00 52.44 C ATOM 0 H LEU A 38 -12.393 -5.152 4.527 1.00 45.22 H new ATOM 0 HA LEU A 38 -10.194 -3.551 5.438 1.00 55.10 H new ATOM 0 HB2 LEU A 38 -11.049 -3.252 3.242 1.00 72.32 H new ATOM 0 HB3 LEU A 38 -12.706 -3.138 3.802 1.00 72.32 H new ATOM 0 HG LEU A 38 -10.766 -0.984 4.595 1.00 33.14 H new ATOM 0 HD11 LEU A 38 -11.298 0.278 2.488 1.00 64.42 H new ATOM 0 HD12 LEU A 38 -10.410 -1.228 2.155 1.00 64.42 H new ATOM 0 HD13 LEU A 38 -12.166 -1.150 1.877 1.00 64.42 H new ATOM 0 HD21 LEU A 38 -12.784 0.494 4.402 1.00 52.44 H new ATOM 0 HD22 LEU A 38 -13.742 -0.911 3.879 1.00 52.44 H new ATOM 0 HD23 LEU A 38 -13.055 -0.864 5.520 1.00 52.44 H new ATOM 638 N LYS A 39 -13.134 -3.064 6.867 1.00 70.24 N ATOM 639 CA LYS A 39 -13.843 -2.539 8.055 1.00 24.05 C ATOM 640 C LYS A 39 -13.194 -3.038 9.366 1.00 14.53 C ATOM 641 O LYS A 39 -13.271 -2.358 10.393 1.00 64.44 O ATOM 642 CB LYS A 39 -15.337 -2.966 8.003 1.00 42.23 C ATOM 643 CG LYS A 39 -16.137 -2.393 6.808 1.00 74.14 C ATOM 644 CD LYS A 39 -16.463 -0.887 6.935 1.00 22.22 C ATOM 645 CE LYS A 39 -17.505 -0.600 8.030 1.00 41.31 C ATOM 646 NZ LYS A 39 -17.853 0.844 8.088 1.00 20.55 N ATOM 0 H LYS A 39 -13.737 -3.599 6.241 1.00 70.24 H new ATOM 0 HA LYS A 39 -13.772 -1.451 8.041 1.00 24.05 H new ATOM 0 HB2 LYS A 39 -15.388 -4.054 7.967 1.00 42.23 H new ATOM 0 HB3 LYS A 39 -15.821 -2.655 8.929 1.00 42.23 H new ATOM 0 HG2 LYS A 39 -15.569 -2.555 5.892 1.00 74.14 H new ATOM 0 HG3 LYS A 39 -17.069 -2.949 6.708 1.00 74.14 H new ATOM 0 HD2 LYS A 39 -15.548 -0.338 7.156 1.00 22.22 H new ATOM 0 HD3 LYS A 39 -16.834 -0.517 5.979 1.00 22.22 H new ATOM 0 HE2 LYS A 39 -18.405 -1.185 7.839 1.00 41.31 H new ATOM 0 HE3 LYS A 39 -17.116 -0.920 8.996 1.00 41.31 H new ATOM 0 HZ1 LYS A 39 -18.557 1.002 8.837 1.00 20.55 H new ATOM 0 HZ2 LYS A 39 -16.998 1.399 8.295 1.00 20.55 H new ATOM 0 HZ3 LYS A 39 -18.247 1.143 7.173 1.00 20.55 H new ATOM 660 N LYS A 40 -12.570 -4.233 9.309 1.00 60.35 N ATOM 661 CA LYS A 40 -11.803 -4.795 10.430 1.00 3.54 C ATOM 662 C LYS A 40 -10.498 -4.010 10.628 1.00 4.30 C ATOM 663 O LYS A 40 -10.288 -3.398 11.676 1.00 14.55 O ATOM 664 CB LYS A 40 -11.441 -6.295 10.194 1.00 64.45 C ATOM 665 CG LYS A 40 -12.611 -7.249 9.901 1.00 53.11 C ATOM 666 CD LYS A 40 -13.724 -7.209 10.966 1.00 11.23 C ATOM 667 CE LYS A 40 -14.737 -8.342 10.772 1.00 21.54 C ATOM 668 NZ LYS A 40 -15.220 -8.420 9.366 1.00 13.32 N ATOM 0 H LYS A 40 -12.586 -4.832 8.483 1.00 60.35 H new ATOM 0 HA LYS A 40 -12.434 -4.719 11.315 1.00 3.54 H new ATOM 0 HB2 LYS A 40 -10.741 -6.349 9.361 1.00 64.45 H new ATOM 0 HB3 LYS A 40 -10.916 -6.661 11.076 1.00 64.45 H new ATOM 0 HG2 LYS A 40 -13.039 -6.997 8.931 1.00 53.11 H new ATOM 0 HG3 LYS A 40 -12.228 -8.267 9.826 1.00 53.11 H new ATOM 0 HD2 LYS A 40 -13.280 -7.284 11.959 1.00 11.23 H new ATOM 0 HD3 LYS A 40 -14.238 -6.249 10.919 1.00 11.23 H new ATOM 0 HE2 LYS A 40 -14.279 -9.291 11.052 1.00 21.54 H new ATOM 0 HE3 LYS A 40 -15.585 -8.189 11.439 1.00 21.54 H new ATOM 0 HZ1 LYS A 40 -16.228 -8.675 9.359 1.00 13.32 H new ATOM 0 HZ2 LYS A 40 -15.093 -7.497 8.904 1.00 13.32 H new ATOM 0 HZ3 LYS A 40 -14.677 -9.143 8.852 1.00 13.32 H new ATOM 682 N GLU A 41 -9.650 -4.012 9.576 1.00 52.14 N ATOM 683 CA GLU A 41 -8.228 -3.617 9.688 1.00 71.11 C ATOM 684 C GLU A 41 -8.024 -2.128 9.996 1.00 62.12 C ATOM 685 O GLU A 41 -7.025 -1.765 10.618 1.00 12.43 O ATOM 686 CB GLU A 41 -7.433 -4.049 8.429 1.00 61.32 C ATOM 687 CG GLU A 41 -7.481 -5.573 8.156 1.00 31.34 C ATOM 688 CD GLU A 41 -7.178 -6.436 9.406 1.00 63.22 C ATOM 689 OE1 GLU A 41 -5.991 -6.566 9.780 1.00 43.31 O ATOM 690 OE2 GLU A 41 -8.124 -6.988 10.014 1.00 40.02 O ATOM 0 H GLU A 41 -9.928 -4.285 8.633 1.00 52.14 H new ATOM 0 HA GLU A 41 -7.832 -4.151 10.552 1.00 71.11 H new ATOM 0 HB2 GLU A 41 -7.828 -3.521 7.561 1.00 61.32 H new ATOM 0 HB3 GLU A 41 -6.393 -3.742 8.543 1.00 61.32 H new ATOM 0 HG2 GLU A 41 -8.468 -5.835 7.775 1.00 31.34 H new ATOM 0 HG3 GLU A 41 -6.762 -5.816 7.374 1.00 31.34 H new ATOM 697 N MET A 42 -8.967 -1.281 9.567 1.00 40.52 N ATOM 698 CA MET A 42 -8.961 0.157 9.900 1.00 61.51 C ATOM 699 C MET A 42 -9.172 0.382 11.417 1.00 34.42 C ATOM 700 O MET A 42 -8.567 1.293 12.003 1.00 23.50 O ATOM 701 CB MET A 42 -10.028 0.897 9.058 1.00 60.15 C ATOM 702 CG MET A 42 -9.625 1.231 7.602 1.00 11.33 C ATOM 703 SD MET A 42 -9.030 -0.173 6.620 1.00 14.32 S ATOM 704 CE MET A 42 -7.252 -0.040 6.817 1.00 64.13 C ATOM 0 H MET A 42 -9.753 -1.566 8.983 1.00 40.52 H new ATOM 0 HA MET A 42 -7.983 0.570 9.652 1.00 61.51 H new ATOM 0 HB2 MET A 42 -10.931 0.288 9.034 1.00 60.15 H new ATOM 0 HB3 MET A 42 -10.284 1.827 9.566 1.00 60.15 H new ATOM 0 HG2 MET A 42 -10.485 1.668 7.096 1.00 11.33 H new ATOM 0 HG3 MET A 42 -8.846 1.994 7.624 1.00 11.33 H new ATOM 0 HE1 MET A 42 -6.755 -0.630 6.047 1.00 64.13 H new ATOM 0 HE2 MET A 42 -6.953 1.004 6.724 1.00 64.13 H new ATOM 0 HE3 MET A 42 -6.966 -0.413 7.801 1.00 64.13 H new ATOM 714 N LYS A 43 -10.014 -0.470 12.048 1.00 63.40 N ATOM 715 CA LYS A 43 -10.218 -0.459 13.510 1.00 5.22 C ATOM 716 C LYS A 43 -8.955 -0.981 14.217 1.00 41.42 C ATOM 717 O LYS A 43 -8.567 -0.469 15.269 1.00 1.10 O ATOM 718 CB LYS A 43 -11.440 -1.327 13.924 1.00 45.23 C ATOM 719 CG LYS A 43 -12.798 -0.859 13.359 1.00 31.25 C ATOM 720 CD LYS A 43 -13.984 -1.727 13.862 1.00 73.54 C ATOM 721 CE LYS A 43 -14.170 -1.670 15.391 1.00 2.13 C ATOM 722 NZ LYS A 43 -15.333 -2.481 15.853 1.00 73.51 N ATOM 0 H LYS A 43 -10.565 -1.177 11.561 1.00 63.40 H new ATOM 0 HA LYS A 43 -10.415 0.570 13.811 1.00 5.22 H new ATOM 0 HB2 LYS A 43 -11.264 -2.353 13.600 1.00 45.23 H new ATOM 0 HB3 LYS A 43 -11.503 -1.343 15.012 1.00 45.23 H new ATOM 0 HG2 LYS A 43 -12.967 0.180 13.642 1.00 31.25 H new ATOM 0 HG3 LYS A 43 -12.765 -0.891 12.270 1.00 31.25 H new ATOM 0 HD2 LYS A 43 -14.902 -1.393 13.378 1.00 73.54 H new ATOM 0 HD3 LYS A 43 -13.823 -2.762 13.560 1.00 73.54 H new ATOM 0 HE2 LYS A 43 -13.264 -2.029 15.878 1.00 2.13 H new ATOM 0 HE3 LYS A 43 -14.308 -0.634 15.699 1.00 2.13 H new ATOM 0 HZ1 LYS A 43 -15.416 -2.411 16.887 1.00 73.51 H new ATOM 0 HZ2 LYS A 43 -16.203 -2.123 15.410 1.00 73.51 H new ATOM 0 HZ3 LYS A 43 -15.191 -3.476 15.584 1.00 73.51 H new ATOM 736 N LYS A 44 -8.319 -2.010 13.611 1.00 21.32 N ATOM 737 CA LYS A 44 -7.123 -2.664 14.176 1.00 41.04 C ATOM 738 C LYS A 44 -5.919 -1.703 14.245 1.00 13.01 C ATOM 739 O LYS A 44 -5.132 -1.767 15.185 1.00 31.14 O ATOM 740 CB LYS A 44 -6.748 -3.940 13.367 1.00 73.44 C ATOM 741 CG LYS A 44 -7.872 -4.998 13.221 1.00 20.32 C ATOM 742 CD LYS A 44 -8.547 -5.384 14.553 1.00 45.30 C ATOM 743 CE LYS A 44 -7.590 -5.993 15.588 1.00 44.23 C ATOM 744 NZ LYS A 44 -8.302 -6.303 16.853 1.00 35.04 N ATOM 0 H LYS A 44 -8.621 -2.406 12.721 1.00 21.32 H new ATOM 0 HA LYS A 44 -7.374 -2.957 15.195 1.00 41.04 H new ATOM 0 HB2 LYS A 44 -6.429 -3.635 12.370 1.00 73.44 H new ATOM 0 HB3 LYS A 44 -5.890 -4.412 13.845 1.00 73.44 H new ATOM 0 HG2 LYS A 44 -8.631 -4.615 12.539 1.00 20.32 H new ATOM 0 HG3 LYS A 44 -7.455 -5.895 12.763 1.00 20.32 H new ATOM 0 HD2 LYS A 44 -9.013 -4.497 14.982 1.00 45.30 H new ATOM 0 HD3 LYS A 44 -9.346 -6.097 14.350 1.00 45.30 H new ATOM 0 HE2 LYS A 44 -7.144 -6.902 15.185 1.00 44.23 H new ATOM 0 HE3 LYS A 44 -6.774 -5.299 15.787 1.00 44.23 H new ATOM 0 HZ1 LYS A 44 -7.634 -6.713 17.536 1.00 35.04 H new ATOM 0 HZ2 LYS A 44 -8.707 -5.430 17.247 1.00 35.04 H new ATOM 0 HZ3 LYS A 44 -9.065 -6.984 16.664 1.00 35.04 H new ATOM 758 N LEU A 45 -5.787 -0.822 13.234 1.00 1.41 N ATOM 759 CA LEU A 45 -4.746 0.235 13.211 1.00 60.45 C ATOM 760 C LEU A 45 -4.875 1.198 14.416 1.00 24.21 C ATOM 761 O LEU A 45 -3.871 1.755 14.891 1.00 51.50 O ATOM 762 CB LEU A 45 -4.809 1.032 11.876 1.00 42.41 C ATOM 763 CG LEU A 45 -4.532 0.215 10.572 1.00 30.04 C ATOM 764 CD1 LEU A 45 -4.659 1.098 9.314 1.00 74.04 C ATOM 765 CD2 LEU A 45 -3.162 -0.491 10.631 1.00 33.12 C ATOM 0 H LEU A 45 -6.393 -0.819 12.413 1.00 1.41 H new ATOM 0 HA LEU A 45 -3.778 -0.260 13.286 1.00 60.45 H new ATOM 0 HB2 LEU A 45 -5.797 1.485 11.793 1.00 42.41 H new ATOM 0 HB3 LEU A 45 -4.088 1.848 11.929 1.00 42.41 H new ATOM 0 HG LEU A 45 -5.296 -0.559 10.503 1.00 30.04 H new ATOM 0 HD11 LEU A 45 -4.460 0.498 8.426 1.00 74.04 H new ATOM 0 HD12 LEU A 45 -5.668 1.507 9.257 1.00 74.04 H new ATOM 0 HD13 LEU A 45 -3.939 1.915 9.368 1.00 74.04 H new ATOM 0 HD21 LEU A 45 -3.001 -1.050 9.709 1.00 33.12 H new ATOM 0 HD22 LEU A 45 -2.374 0.253 10.747 1.00 33.12 H new ATOM 0 HD23 LEU A 45 -3.142 -1.176 11.479 1.00 33.12 H new ATOM 777 N ALA A 46 -6.119 1.375 14.899 1.00 0.20 N ATOM 778 CA ALA A 46 -6.428 2.249 16.044 1.00 72.50 C ATOM 779 C ALA A 46 -6.230 1.513 17.384 1.00 62.43 C ATOM 780 O ALA A 46 -5.784 2.123 18.363 1.00 2.34 O ATOM 781 CB ALA A 46 -7.861 2.778 15.926 1.00 31.14 C ATOM 0 H ALA A 46 -6.939 0.914 14.505 1.00 0.20 H new ATOM 0 HA ALA A 46 -5.735 3.090 16.027 1.00 72.50 H new ATOM 0 HB1 ALA A 46 -8.082 3.423 16.776 1.00 31.14 H new ATOM 0 HB2 ALA A 46 -7.964 3.347 15.002 1.00 31.14 H new ATOM 0 HB3 ALA A 46 -8.558 1.940 15.916 1.00 31.14 H new ATOM 888 N LYS A 53 5.023 -0.800 12.858 1.00 22.24 N ATOM 889 CA LYS A 53 4.581 -0.283 11.546 1.00 64.21 C ATOM 890 C LYS A 53 3.832 -1.394 10.785 1.00 30.41 C ATOM 891 O LYS A 53 4.182 -2.575 10.891 1.00 24.25 O ATOM 892 CB LYS A 53 5.758 0.236 10.671 1.00 63.40 C ATOM 893 CG LYS A 53 6.629 1.372 11.282 1.00 20.24 C ATOM 894 CD LYS A 53 7.644 0.879 12.332 1.00 23.23 C ATOM 895 CE LYS A 53 8.683 -0.096 11.749 1.00 32.12 C ATOM 896 NZ LYS A 53 9.490 0.519 10.659 1.00 51.25 N ATOM 0 HA LYS A 53 3.925 0.566 11.740 1.00 64.21 H new ATOM 0 HB2 LYS A 53 6.409 -0.607 10.441 1.00 63.40 H new ATOM 0 HB3 LYS A 53 5.349 0.591 9.725 1.00 63.40 H new ATOM 0 HG2 LYS A 53 7.166 1.877 10.479 1.00 20.24 H new ATOM 0 HG3 LYS A 53 5.974 2.112 11.742 1.00 20.24 H new ATOM 0 HD2 LYS A 53 8.160 1.737 12.762 1.00 23.23 H new ATOM 0 HD3 LYS A 53 7.109 0.388 13.145 1.00 23.23 H new ATOM 0 HE2 LYS A 53 9.348 -0.432 12.544 1.00 32.12 H new ATOM 0 HE3 LYS A 53 8.173 -0.980 11.365 1.00 32.12 H new ATOM 0 HZ1 LYS A 53 9.206 0.112 9.745 1.00 51.25 H new ATOM 0 HZ2 LYS A 53 9.329 1.546 10.645 1.00 51.25 H new ATOM 0 HZ3 LYS A 53 10.499 0.329 10.824 1.00 51.25 H new ATOM 910 N ILE A 54 2.816 -1.002 9.996 1.00 45.02 N ATOM 911 CA ILE A 54 1.936 -1.948 9.277 1.00 74.24 C ATOM 912 C ILE A 54 2.040 -1.724 7.759 1.00 64.51 C ATOM 913 O ILE A 54 2.132 -0.588 7.293 1.00 34.03 O ATOM 914 CB ILE A 54 0.429 -1.793 9.729 1.00 34.13 C ATOM 915 CG1 ILE A 54 0.271 -1.981 11.268 1.00 44.11 C ATOM 916 CG2 ILE A 54 -0.513 -2.761 8.969 1.00 71.32 C ATOM 917 CD1 ILE A 54 0.584 -3.368 11.790 1.00 30.13 C ATOM 0 H ILE A 54 2.580 -0.023 9.837 1.00 45.02 H new ATOM 0 HA ILE A 54 2.268 -2.957 9.522 1.00 74.24 H new ATOM 0 HB ILE A 54 0.134 -0.775 9.474 1.00 34.13 H new ATOM 0 HG12 ILE A 54 0.921 -1.266 11.773 1.00 44.11 H new ATOM 0 HG13 ILE A 54 -0.753 -1.730 11.544 1.00 44.11 H new ATOM 0 HG21 ILE A 54 -1.537 -2.617 9.314 1.00 71.32 H new ATOM 0 HG22 ILE A 54 -0.458 -2.557 7.900 1.00 71.32 H new ATOM 0 HG23 ILE A 54 -0.207 -3.790 9.159 1.00 71.32 H new ATOM 0 HD11 ILE A 54 0.443 -3.391 12.871 1.00 30.13 H new ATOM 0 HD12 ILE A 54 -0.083 -4.092 11.322 1.00 30.13 H new ATOM 0 HD13 ILE A 54 1.618 -3.621 11.554 1.00 30.13 H new ATOM 929 N LEU A 55 2.034 -2.823 7.007 1.00 35.12 N ATOM 930 CA LEU A 55 1.870 -2.815 5.552 1.00 35.00 C ATOM 931 C LEU A 55 0.481 -3.392 5.244 1.00 12.21 C ATOM 932 O LEU A 55 0.133 -4.443 5.768 1.00 13.15 O ATOM 933 CB LEU A 55 3.024 -3.633 4.890 1.00 73.13 C ATOM 934 CG LEU A 55 3.144 -3.566 3.321 1.00 15.31 C ATOM 935 CD1 LEU A 55 4.588 -3.804 2.870 1.00 2.22 C ATOM 936 CD2 LEU A 55 2.208 -4.560 2.604 1.00 62.04 C ATOM 0 H LEU A 55 2.145 -3.759 7.396 1.00 35.12 H new ATOM 0 HA LEU A 55 1.930 -1.807 5.141 1.00 35.00 H new ATOM 0 HB2 LEU A 55 3.968 -3.292 5.316 1.00 73.13 H new ATOM 0 HB3 LEU A 55 2.904 -4.678 5.176 1.00 73.13 H new ATOM 0 HG LEU A 55 2.834 -2.560 3.038 1.00 15.31 H new ATOM 0 HD11 LEU A 55 4.643 -3.752 1.783 1.00 2.22 H new ATOM 0 HD12 LEU A 55 5.235 -3.041 3.303 1.00 2.22 H new ATOM 0 HD13 LEU A 55 4.916 -4.789 3.203 1.00 2.22 H new ATOM 0 HD21 LEU A 55 2.336 -4.467 1.526 1.00 62.04 H new ATOM 0 HD22 LEU A 55 2.452 -5.577 2.912 1.00 62.04 H new ATOM 0 HD23 LEU A 55 1.173 -4.340 2.867 1.00 62.04 H new ATOM 948 N ILE A 56 -0.332 -2.692 4.447 1.00 34.32 N ATOM 949 CA ILE A 56 -1.662 -3.187 4.032 1.00 63.32 C ATOM 950 C ILE A 56 -1.598 -3.544 2.538 1.00 44.11 C ATOM 951 O ILE A 56 -1.173 -2.715 1.729 1.00 30.12 O ATOM 952 CB ILE A 56 -2.807 -2.116 4.242 1.00 43.23 C ATOM 953 CG1 ILE A 56 -2.824 -1.506 5.688 1.00 54.55 C ATOM 954 CG2 ILE A 56 -4.194 -2.717 3.892 1.00 12.13 C ATOM 955 CD1 ILE A 56 -3.372 -2.410 6.780 1.00 73.11 C ATOM 0 H ILE A 56 -0.096 -1.774 4.071 1.00 34.32 H new ATOM 0 HA ILE A 56 -1.903 -4.051 4.651 1.00 63.32 H new ATOM 0 HB ILE A 56 -2.587 -1.296 3.559 1.00 43.23 H new ATOM 0 HG12 ILE A 56 -1.806 -1.222 5.954 1.00 54.55 H new ATOM 0 HG13 ILE A 56 -3.416 -0.591 5.669 1.00 54.55 H new ATOM 0 HG21 ILE A 56 -4.966 -1.963 4.044 1.00 12.13 H new ATOM 0 HG22 ILE A 56 -4.199 -3.037 2.850 1.00 12.13 H new ATOM 0 HG23 ILE A 56 -4.392 -3.574 4.536 1.00 12.13 H new ATOM 0 HD11 ILE A 56 -3.337 -1.888 7.736 1.00 73.11 H new ATOM 0 HD12 ILE A 56 -4.404 -2.675 6.549 1.00 73.11 H new ATOM 0 HD13 ILE A 56 -2.769 -3.316 6.839 1.00 73.11 H new ATOM 967 N ILE A 57 -1.997 -4.768 2.171 1.00 44.03 N ATOM 968 CA ILE A 57 -2.195 -5.154 0.761 1.00 3.44 C ATOM 969 C ILE A 57 -3.701 -5.151 0.456 1.00 75.12 C ATOM 970 O ILE A 57 -4.460 -5.841 1.119 1.00 13.12 O ATOM 971 CB ILE A 57 -1.568 -6.568 0.425 1.00 33.25 C ATOM 972 CG1 ILE A 57 -0.022 -6.538 0.640 1.00 14.51 C ATOM 973 CG2 ILE A 57 -1.915 -7.017 -1.024 1.00 65.00 C ATOM 974 CD1 ILE A 57 0.706 -7.846 0.366 1.00 1.53 C ATOM 0 H ILE A 57 -2.192 -5.517 2.835 1.00 44.03 H new ATOM 0 HA ILE A 57 -1.677 -4.429 0.133 1.00 3.44 H new ATOM 0 HB ILE A 57 -2.003 -7.299 1.106 1.00 33.25 H new ATOM 0 HG12 ILE A 57 0.401 -5.766 -0.003 1.00 14.51 H new ATOM 0 HG13 ILE A 57 0.178 -6.241 1.669 1.00 14.51 H new ATOM 0 HG21 ILE A 57 -1.468 -7.992 -1.220 1.00 65.00 H new ATOM 0 HG22 ILE A 57 -2.997 -7.085 -1.134 1.00 65.00 H new ATOM 0 HG23 ILE A 57 -1.523 -6.289 -1.734 1.00 65.00 H new ATOM 0 HD11 ILE A 57 1.773 -7.713 0.546 1.00 1.53 H new ATOM 0 HD12 ILE A 57 0.320 -8.622 1.027 1.00 1.53 H new ATOM 0 HD13 ILE A 57 0.547 -8.140 -0.671 1.00 1.53 H new ATOM 986 N SER A 58 -4.121 -4.342 -0.520 1.00 21.23 N ATOM 987 CA SER A 58 -5.490 -4.350 -1.057 1.00 70.35 C ATOM 988 C SER A 58 -5.391 -4.834 -2.500 1.00 63.42 C ATOM 989 O SER A 58 -4.539 -4.357 -3.238 1.00 24.35 O ATOM 990 CB SER A 58 -6.122 -2.939 -0.994 1.00 71.45 C ATOM 991 OG SER A 58 -7.452 -2.938 -1.500 1.00 43.41 O ATOM 0 H SER A 58 -3.515 -3.654 -0.967 1.00 21.23 H new ATOM 0 HA SER A 58 -6.131 -5.005 -0.467 1.00 70.35 H new ATOM 0 HB2 SER A 58 -6.124 -2.586 0.037 1.00 71.45 H new ATOM 0 HB3 SER A 58 -5.513 -2.241 -1.568 1.00 71.45 H new ATOM 0 HG SER A 58 -7.465 -2.519 -2.386 1.00 43.41 H new ATOM 997 N ASN A 59 -6.212 -5.814 -2.897 1.00 13.33 N ATOM 998 CA ASN A 59 -6.175 -6.364 -4.274 1.00 55.15 C ATOM 999 C ASN A 59 -7.204 -5.666 -5.185 1.00 30.03 C ATOM 1000 O ASN A 59 -7.396 -6.080 -6.335 1.00 13.41 O ATOM 1001 CB ASN A 59 -6.407 -7.901 -4.258 1.00 43.32 C ATOM 1002 CG ASN A 59 -5.257 -8.718 -3.657 1.00 43.42 C ATOM 1003 OD1 ASN A 59 -4.913 -9.783 -4.169 1.00 51.10 O ATOM 1004 ND2 ASN A 59 -4.698 -8.281 -2.533 1.00 45.14 N ATOM 0 H ASN A 59 -6.911 -6.247 -2.293 1.00 13.33 H new ATOM 0 HA ASN A 59 -5.184 -6.170 -4.683 1.00 55.15 H new ATOM 0 HB2 ASN A 59 -7.316 -8.111 -3.695 1.00 43.32 H new ATOM 0 HB3 ASN A 59 -6.579 -8.239 -5.280 1.00 43.32 H new ATOM 0 HD21 ASN A 59 -3.969 -8.831 -2.078 1.00 45.14 H new ATOM 0 HD22 ASN A 59 -4.998 -7.395 -2.125 1.00 45.14 H new ATOM 1011 N ASP A 60 -7.858 -4.608 -4.670 1.00 34.00 N ATOM 1012 CA ASP A 60 -8.875 -3.851 -5.428 1.00 23.42 C ATOM 1013 C ASP A 60 -8.747 -2.329 -5.224 1.00 1.42 C ATOM 1014 O ASP A 60 -8.391 -1.859 -4.137 1.00 32.34 O ATOM 1015 CB ASP A 60 -10.289 -4.357 -5.046 1.00 71.10 C ATOM 1016 CG ASP A 60 -11.431 -3.563 -5.698 1.00 13.24 C ATOM 1017 OD1 ASP A 60 -11.443 -3.427 -6.945 1.00 32.33 O ATOM 1018 OD2 ASP A 60 -12.306 -3.057 -4.976 1.00 54.32 O ATOM 0 H ASP A 60 -7.699 -4.256 -3.726 1.00 34.00 H new ATOM 0 HA ASP A 60 -8.707 -4.028 -6.490 1.00 23.42 H new ATOM 0 HB2 ASP A 60 -10.379 -5.405 -5.332 1.00 71.10 H new ATOM 0 HB3 ASP A 60 -10.400 -4.311 -3.963 1.00 71.10 H new ATOM 1023 N LYS A 61 -9.085 -1.581 -6.296 1.00 54.43 N ATOM 1024 CA LYS A 61 -8.990 -0.111 -6.360 1.00 1.21 C ATOM 1025 C LYS A 61 -10.022 0.572 -5.434 1.00 24.00 C ATOM 1026 O LYS A 61 -9.697 1.547 -4.753 1.00 13.33 O ATOM 1027 CB LYS A 61 -9.201 0.362 -7.831 1.00 44.22 C ATOM 1028 CG LYS A 61 -10.596 0.031 -8.418 1.00 72.21 C ATOM 1029 CD LYS A 61 -10.821 0.592 -9.841 1.00 12.43 C ATOM 1030 CE LYS A 61 -12.182 0.166 -10.428 1.00 65.23 C ATOM 1031 NZ LYS A 61 -12.367 0.657 -11.819 1.00 12.42 N ATOM 0 H LYS A 61 -9.439 -1.994 -7.159 1.00 54.43 H new ATOM 0 HA LYS A 61 -7.997 0.177 -6.016 1.00 1.21 H new ATOM 0 HB2 LYS A 61 -9.047 1.440 -7.878 1.00 44.22 H new ATOM 0 HB3 LYS A 61 -8.438 -0.097 -8.460 1.00 44.22 H new ATOM 0 HG2 LYS A 61 -10.724 -1.051 -8.439 1.00 72.21 H new ATOM 0 HG3 LYS A 61 -11.363 0.430 -7.754 1.00 72.21 H new ATOM 0 HD2 LYS A 61 -10.764 1.680 -9.814 1.00 12.43 H new ATOM 0 HD3 LYS A 61 -10.021 0.247 -10.496 1.00 12.43 H new ATOM 0 HE2 LYS A 61 -12.258 -0.921 -10.414 1.00 65.23 H new ATOM 0 HE3 LYS A 61 -12.985 0.550 -9.798 1.00 65.23 H new ATOM 0 HZ1 LYS A 61 -13.294 0.349 -12.176 1.00 12.42 H new ATOM 0 HZ2 LYS A 61 -12.320 1.696 -11.830 1.00 12.42 H new ATOM 0 HZ3 LYS A 61 -11.617 0.270 -12.426 1.00 12.42 H new ATOM 1045 N GLN A 62 -11.259 0.026 -5.413 1.00 24.53 N ATOM 1046 CA GLN A 62 -12.408 0.619 -4.702 1.00 31.31 C ATOM 1047 C GLN A 62 -12.153 0.560 -3.192 1.00 23.21 C ATOM 1048 O GLN A 62 -12.314 1.565 -2.482 1.00 11.32 O ATOM 1049 CB GLN A 62 -13.700 -0.156 -5.084 1.00 1.03 C ATOM 1050 CG GLN A 62 -15.014 0.313 -4.408 1.00 4.33 C ATOM 1051 CD GLN A 62 -15.551 1.635 -4.956 1.00 23.14 C ATOM 1052 OE1 GLN A 62 -15.244 2.713 -4.451 1.00 11.35 O ATOM 1053 NE2 GLN A 62 -16.375 1.561 -5.992 1.00 30.23 N ATOM 0 H GLN A 62 -11.487 -0.845 -5.893 1.00 24.53 H new ATOM 0 HA GLN A 62 -12.535 1.663 -4.989 1.00 31.31 H new ATOM 0 HB2 GLN A 62 -13.830 -0.091 -6.164 1.00 1.03 H new ATOM 0 HB3 GLN A 62 -13.550 -1.209 -4.844 1.00 1.03 H new ATOM 0 HG2 GLN A 62 -15.773 -0.458 -4.537 1.00 4.33 H new ATOM 0 HG3 GLN A 62 -14.844 0.417 -3.336 1.00 4.33 H new ATOM 0 HE21 GLN A 62 -16.612 0.653 -6.391 1.00 30.23 H new ATOM 0 HE22 GLN A 62 -16.772 2.412 -6.390 1.00 30.23 H new ATOM 1062 N LEU A 63 -11.701 -0.633 -2.739 1.00 31.52 N ATOM 1063 CA LEU A 63 -11.291 -0.880 -1.349 1.00 62.11 C ATOM 1064 C LEU A 63 -10.189 0.096 -0.935 1.00 64.43 C ATOM 1065 O LEU A 63 -10.289 0.743 0.094 1.00 61.15 O ATOM 1066 CB LEU A 63 -10.759 -2.331 -1.183 1.00 71.23 C ATOM 1067 CG LEU A 63 -11.745 -3.481 -1.522 1.00 24.45 C ATOM 1068 CD1 LEU A 63 -11.083 -4.858 -1.300 1.00 14.32 C ATOM 1069 CD2 LEU A 63 -13.048 -3.337 -0.720 1.00 1.22 C ATOM 0 H LEU A 63 -11.612 -1.454 -3.338 1.00 31.52 H new ATOM 0 HA LEU A 63 -12.166 -0.738 -0.715 1.00 62.11 H new ATOM 0 HB2 LEU A 63 -9.877 -2.443 -1.813 1.00 71.23 H new ATOM 0 HB3 LEU A 63 -10.432 -2.457 -0.151 1.00 71.23 H new ATOM 0 HG LEU A 63 -12.003 -3.412 -2.579 1.00 24.45 H new ATOM 0 HD11 LEU A 63 -11.794 -5.647 -1.544 1.00 14.32 H new ATOM 0 HD12 LEU A 63 -10.206 -4.948 -1.942 1.00 14.32 H new ATOM 0 HD13 LEU A 63 -10.780 -4.952 -0.257 1.00 14.32 H new ATOM 0 HD21 LEU A 63 -13.724 -4.154 -0.974 1.00 1.22 H new ATOM 0 HD22 LEU A 63 -12.824 -3.369 0.346 1.00 1.22 H new ATOM 0 HD23 LEU A 63 -13.521 -2.386 -0.963 1.00 1.22 H new ATOM 1081 N LEU A 64 -9.166 0.201 -1.791 1.00 11.20 N ATOM 1082 CA LEU A 64 -7.981 1.040 -1.557 1.00 63.23 C ATOM 1083 C LEU A 64 -8.363 2.507 -1.286 1.00 44.25 C ATOM 1084 O LEU A 64 -7.794 3.138 -0.391 1.00 54.21 O ATOM 1085 CB LEU A 64 -7.028 0.909 -2.769 1.00 5.11 C ATOM 1086 CG LEU A 64 -5.696 1.745 -2.731 1.00 74.35 C ATOM 1087 CD1 LEU A 64 -4.567 0.988 -3.424 1.00 64.31 C ATOM 1088 CD2 LEU A 64 -5.858 3.144 -3.376 1.00 21.34 C ATOM 0 H LEU A 64 -9.136 -0.301 -2.679 1.00 11.20 H new ATOM 0 HA LEU A 64 -7.469 0.692 -0.660 1.00 63.23 H new ATOM 0 HB2 LEU A 64 -6.763 -0.143 -2.878 1.00 5.11 H new ATOM 0 HB3 LEU A 64 -7.580 1.194 -3.665 1.00 5.11 H new ATOM 0 HG LEU A 64 -5.448 1.891 -1.680 1.00 74.35 H new ATOM 0 HD11 LEU A 64 -3.654 1.583 -3.387 1.00 64.31 H new ATOM 0 HD12 LEU A 64 -4.402 0.037 -2.917 1.00 64.31 H new ATOM 0 HD13 LEU A 64 -4.838 0.803 -4.463 1.00 64.31 H new ATOM 0 HD21 LEU A 64 -4.911 3.680 -3.324 1.00 21.34 H new ATOM 0 HD22 LEU A 64 -6.155 3.032 -4.419 1.00 21.34 H new ATOM 0 HD23 LEU A 64 -6.623 3.706 -2.840 1.00 21.34 H new ATOM 1100 N LYS A 65 -9.332 3.025 -2.057 1.00 65.20 N ATOM 1101 CA LYS A 65 -9.815 4.408 -1.907 1.00 4.44 C ATOM 1102 C LYS A 65 -10.483 4.610 -0.537 1.00 63.00 C ATOM 1103 O LYS A 65 -10.077 5.508 0.210 1.00 75.45 O ATOM 1104 CB LYS A 65 -10.787 4.768 -3.049 1.00 22.13 C ATOM 1105 CG LYS A 65 -10.141 4.781 -4.452 1.00 12.52 C ATOM 1106 CD LYS A 65 -11.153 5.169 -5.554 1.00 25.41 C ATOM 1107 CE LYS A 65 -11.635 6.628 -5.438 1.00 35.12 C ATOM 1108 NZ LYS A 65 -12.811 6.898 -6.306 1.00 42.04 N ATOM 0 H LYS A 65 -9.800 2.502 -2.797 1.00 65.20 H new ATOM 0 HA LYS A 65 -8.957 5.077 -1.964 1.00 4.44 H new ATOM 0 HB2 LYS A 65 -11.611 4.055 -3.048 1.00 22.13 H new ATOM 0 HB3 LYS A 65 -11.216 5.750 -2.850 1.00 22.13 H new ATOM 0 HG2 LYS A 65 -9.308 5.485 -4.461 1.00 12.52 H new ATOM 0 HG3 LYS A 65 -9.728 3.796 -4.670 1.00 12.52 H new ATOM 0 HD2 LYS A 65 -10.694 5.020 -6.531 1.00 25.41 H new ATOM 0 HD3 LYS A 65 -12.013 4.502 -5.501 1.00 25.41 H new ATOM 0 HE2 LYS A 65 -11.893 6.843 -4.401 1.00 35.12 H new ATOM 0 HE3 LYS A 65 -10.822 7.301 -5.710 1.00 35.12 H new ATOM 0 HZ1 LYS A 65 -13.102 7.890 -6.197 1.00 42.04 H new ATOM 0 HZ2 LYS A 65 -12.558 6.718 -7.299 1.00 42.04 H new ATOM 0 HZ3 LYS A 65 -13.596 6.275 -6.030 1.00 42.04 H new ATOM 1122 N GLU A 66 -11.472 3.737 -0.213 1.00 71.43 N ATOM 1123 CA GLU A 66 -12.193 3.783 1.084 1.00 14.20 C ATOM 1124 C GLU A 66 -11.192 3.757 2.256 1.00 3.52 C ATOM 1125 O GLU A 66 -11.251 4.581 3.168 1.00 11.31 O ATOM 1126 CB GLU A 66 -13.156 2.572 1.219 1.00 11.43 C ATOM 1127 CG GLU A 66 -14.166 2.399 0.070 1.00 22.30 C ATOM 1128 CD GLU A 66 -15.128 3.590 -0.107 1.00 30.54 C ATOM 1129 OE1 GLU A 66 -16.170 3.636 0.584 1.00 61.40 O ATOM 1130 OE2 GLU A 66 -14.858 4.474 -0.943 1.00 45.34 O ATOM 0 H GLU A 66 -11.788 2.992 -0.834 1.00 71.43 H new ATOM 0 HA GLU A 66 -12.769 4.708 1.114 1.00 14.20 H new ATOM 0 HB2 GLU A 66 -12.560 1.663 1.296 1.00 11.43 H new ATOM 0 HB3 GLU A 66 -13.708 2.671 2.153 1.00 11.43 H new ATOM 0 HG2 GLU A 66 -13.619 2.246 -0.860 1.00 22.30 H new ATOM 0 HG3 GLU A 66 -14.751 1.497 0.248 1.00 22.30 H new ATOM 1137 N MET A 67 -10.254 2.807 2.138 1.00 22.30 N ATOM 1138 CA MET A 67 -9.172 2.537 3.087 1.00 32.30 C ATOM 1139 C MET A 67 -8.355 3.797 3.404 1.00 43.20 C ATOM 1140 O MET A 67 -8.192 4.143 4.570 1.00 34.54 O ATOM 1141 CB MET A 67 -8.275 1.437 2.466 1.00 73.43 C ATOM 1142 CG MET A 67 -7.111 0.945 3.318 1.00 20.15 C ATOM 1143 SD MET A 67 -6.279 -0.473 2.571 1.00 30.12 S ATOM 1144 CE MET A 67 -7.595 -1.697 2.528 1.00 5.34 C ATOM 0 H MET A 67 -10.231 2.176 1.337 1.00 22.30 H new ATOM 0 HA MET A 67 -9.592 2.204 4.036 1.00 32.30 H new ATOM 0 HB2 MET A 67 -8.905 0.581 2.222 1.00 73.43 H new ATOM 0 HB3 MET A 67 -7.873 1.815 1.526 1.00 73.43 H new ATOM 0 HG2 MET A 67 -6.394 1.755 3.456 1.00 20.15 H new ATOM 0 HG3 MET A 67 -7.476 0.671 4.308 1.00 20.15 H new ATOM 0 HE1 MET A 67 -7.164 -2.697 2.578 1.00 5.34 H new ATOM 0 HE2 MET A 67 -8.261 -1.546 3.378 1.00 5.34 H new ATOM 0 HE3 MET A 67 -8.160 -1.592 1.602 1.00 5.34 H new ATOM 1154 N LEU A 68 -7.884 4.486 2.347 1.00 24.30 N ATOM 1155 CA LEU A 68 -7.051 5.697 2.481 1.00 72.51 C ATOM 1156 C LEU A 68 -7.820 6.854 3.141 1.00 33.13 C ATOM 1157 O LEU A 68 -7.254 7.578 3.952 1.00 55.22 O ATOM 1158 CB LEU A 68 -6.498 6.139 1.100 1.00 14.44 C ATOM 1159 CG LEU A 68 -5.442 5.188 0.459 1.00 4.44 C ATOM 1160 CD1 LEU A 68 -5.016 5.697 -0.925 1.00 0.11 C ATOM 1161 CD2 LEU A 68 -4.221 5.010 1.386 1.00 42.42 C ATOM 0 H LEU A 68 -8.069 4.220 1.380 1.00 24.30 H new ATOM 0 HA LEU A 68 -6.215 5.441 3.132 1.00 72.51 H new ATOM 0 HB2 LEU A 68 -7.335 6.240 0.409 1.00 14.44 H new ATOM 0 HB3 LEU A 68 -6.052 7.128 1.207 1.00 14.44 H new ATOM 0 HG LEU A 68 -5.905 4.210 0.329 1.00 4.44 H new ATOM 0 HD11 LEU A 68 -4.279 5.017 -1.352 1.00 0.11 H new ATOM 0 HD12 LEU A 68 -5.887 5.745 -1.579 1.00 0.11 H new ATOM 0 HD13 LEU A 68 -4.579 6.691 -0.829 1.00 0.11 H new ATOM 0 HD21 LEU A 68 -3.500 4.342 0.914 1.00 42.42 H new ATOM 0 HD22 LEU A 68 -3.755 5.979 1.564 1.00 42.42 H new ATOM 0 HD23 LEU A 68 -4.544 4.583 2.335 1.00 42.42 H new ATOM 1173 N GLU A 69 -9.110 7.003 2.801 1.00 23.31 N ATOM 1174 CA GLU A 69 -9.969 8.081 3.351 1.00 11.43 C ATOM 1175 C GLU A 69 -10.282 7.837 4.840 1.00 12.21 C ATOM 1176 O GLU A 69 -10.491 8.786 5.608 1.00 50.40 O ATOM 1177 CB GLU A 69 -11.257 8.196 2.505 1.00 13.25 C ATOM 1178 CG GLU A 69 -10.980 8.569 1.033 1.00 23.23 C ATOM 1179 CD GLU A 69 -12.221 8.497 0.139 1.00 63.11 C ATOM 1180 OE1 GLU A 69 -12.989 9.483 0.084 1.00 34.41 O ATOM 1181 OE2 GLU A 69 -12.433 7.459 -0.521 1.00 72.02 O ATOM 0 H GLU A 69 -9.590 6.389 2.143 1.00 23.31 H new ATOM 0 HA GLU A 69 -9.434 9.029 3.295 1.00 11.43 H new ATOM 0 HB2 GLU A 69 -11.793 7.248 2.539 1.00 13.25 H new ATOM 0 HB3 GLU A 69 -11.910 8.948 2.948 1.00 13.25 H new ATOM 0 HG2 GLU A 69 -10.572 9.579 0.993 1.00 23.23 H new ATOM 0 HG3 GLU A 69 -10.216 7.901 0.635 1.00 23.23 H new ATOM 1188 N LEU A 70 -10.289 6.554 5.231 1.00 20.43 N ATOM 1189 CA LEU A 70 -10.432 6.118 6.631 1.00 53.45 C ATOM 1190 C LEU A 70 -9.110 6.339 7.411 1.00 50.13 C ATOM 1191 O LEU A 70 -9.125 6.786 8.563 1.00 24.41 O ATOM 1192 CB LEU A 70 -10.874 4.627 6.644 1.00 1.31 C ATOM 1193 CG LEU A 70 -12.345 4.358 6.176 1.00 13.35 C ATOM 1194 CD1 LEU A 70 -12.624 2.850 6.021 1.00 42.23 C ATOM 1195 CD2 LEU A 70 -13.365 5.019 7.127 1.00 41.03 C ATOM 0 H LEU A 70 -10.194 5.778 4.576 1.00 20.43 H new ATOM 0 HA LEU A 70 -11.194 6.714 7.134 1.00 53.45 H new ATOM 0 HB2 LEU A 70 -10.198 4.060 6.005 1.00 1.31 H new ATOM 0 HB3 LEU A 70 -10.756 4.239 7.656 1.00 1.31 H new ATOM 0 HG LEU A 70 -12.462 4.815 5.193 1.00 13.35 H new ATOM 0 HD11 LEU A 70 -13.654 2.702 5.695 1.00 42.23 H new ATOM 0 HD12 LEU A 70 -11.945 2.429 5.280 1.00 42.23 H new ATOM 0 HD13 LEU A 70 -12.471 2.351 6.978 1.00 42.23 H new ATOM 0 HD21 LEU A 70 -14.376 4.814 6.775 1.00 41.03 H new ATOM 0 HD22 LEU A 70 -13.241 4.614 8.131 1.00 41.03 H new ATOM 0 HD23 LEU A 70 -13.199 6.096 7.147 1.00 41.03 H new ATOM 1207 N ILE A 71 -7.973 6.049 6.743 1.00 24.14 N ATOM 1208 CA ILE A 71 -6.613 6.259 7.297 1.00 70.54 C ATOM 1209 C ILE A 71 -6.295 7.771 7.407 1.00 53.41 C ATOM 1210 O ILE A 71 -5.513 8.189 8.267 1.00 52.11 O ATOM 1211 CB ILE A 71 -5.519 5.524 6.420 1.00 53.33 C ATOM 1212 CG1 ILE A 71 -5.710 3.971 6.469 1.00 32.11 C ATOM 1213 CG2 ILE A 71 -4.082 5.907 6.845 1.00 5.20 C ATOM 1214 CD1 ILE A 71 -4.788 3.183 5.543 1.00 74.30 C ATOM 0 H ILE A 71 -7.970 5.661 5.800 1.00 24.14 H new ATOM 0 HA ILE A 71 -6.589 5.827 8.297 1.00 70.54 H new ATOM 0 HB ILE A 71 -5.658 5.859 5.392 1.00 53.33 H new ATOM 0 HG12 ILE A 71 -5.550 3.632 7.492 1.00 32.11 H new ATOM 0 HG13 ILE A 71 -6.744 3.738 6.214 1.00 32.11 H new ATOM 0 HG21 ILE A 71 -3.364 5.380 6.217 1.00 5.20 H new ATOM 0 HG22 ILE A 71 -3.943 6.982 6.731 1.00 5.20 H new ATOM 0 HG23 ILE A 71 -3.925 5.630 7.887 1.00 5.20 H new ATOM 0 HD11 ILE A 71 -4.993 2.117 5.646 1.00 74.30 H new ATOM 0 HD12 ILE A 71 -4.962 3.488 4.511 1.00 74.30 H new ATOM 0 HD13 ILE A 71 -3.750 3.380 5.810 1.00 74.30 H new ATOM 1226 N SER A 72 -6.932 8.579 6.540 1.00 1.44 N ATOM 1227 CA SER A 72 -6.782 10.043 6.529 1.00 55.11 C ATOM 1228 C SER A 72 -7.322 10.641 7.844 1.00 24.33 C ATOM 1229 O SER A 72 -6.799 11.642 8.352 1.00 1.50 O ATOM 1230 CB SER A 72 -7.523 10.633 5.308 1.00 43.12 C ATOM 1231 OG SER A 72 -7.212 12.001 5.112 1.00 25.14 O ATOM 0 H SER A 72 -7.569 8.231 5.823 1.00 1.44 H new ATOM 0 HA SER A 72 -5.725 10.298 6.450 1.00 55.11 H new ATOM 0 HB2 SER A 72 -7.257 10.069 4.414 1.00 43.12 H new ATOM 0 HB3 SER A 72 -8.598 10.521 5.447 1.00 43.12 H new ATOM 0 HG SER A 72 -7.698 12.338 4.331 1.00 25.14 H new ATOM 1237 N LYS A 73 -8.366 9.988 8.390 1.00 44.05 N ATOM 1238 CA LYS A 73 -8.957 10.341 9.688 1.00 2.20 C ATOM 1239 C LYS A 73 -8.024 9.902 10.835 1.00 20.11 C ATOM 1240 O LYS A 73 -7.893 10.604 11.848 1.00 71.14 O ATOM 1241 CB LYS A 73 -10.349 9.669 9.843 1.00 53.04 C ATOM 1242 CG LYS A 73 -11.340 9.929 8.683 1.00 73.23 C ATOM 1243 CD LYS A 73 -11.558 11.433 8.404 1.00 2.40 C ATOM 1244 CE LYS A 73 -12.586 11.688 7.288 1.00 54.20 C ATOM 1245 NZ LYS A 73 -12.220 11.028 5.999 1.00 72.12 N ATOM 0 H LYS A 73 -8.823 9.197 7.937 1.00 44.05 H new ATOM 0 HA LYS A 73 -9.083 11.423 9.733 1.00 2.20 H new ATOM 0 HB2 LYS A 73 -10.206 8.593 9.943 1.00 53.04 H new ATOM 0 HB3 LYS A 73 -10.802 10.018 10.771 1.00 53.04 H new ATOM 0 HG2 LYS A 73 -10.968 9.447 7.779 1.00 73.23 H new ATOM 0 HG3 LYS A 73 -12.298 9.466 8.920 1.00 73.23 H new ATOM 0 HD2 LYS A 73 -11.892 11.923 9.319 1.00 2.40 H new ATOM 0 HD3 LYS A 73 -10.607 11.888 8.127 1.00 2.40 H new ATOM 0 HE2 LYS A 73 -13.562 11.327 7.611 1.00 54.20 H new ATOM 0 HE3 LYS A 73 -12.681 12.762 7.127 1.00 54.20 H new ATOM 0 HZ1 LYS A 73 -12.147 11.746 5.250 1.00 72.12 H new ATOM 0 HZ2 LYS A 73 -11.306 10.543 6.104 1.00 72.12 H new ATOM 0 HZ3 LYS A 73 -12.952 10.335 5.744 1.00 72.12 H new ATOM 1259 N LEU A 74 -7.381 8.727 10.655 1.00 5.33 N ATOM 1260 CA LEU A 74 -6.398 8.177 11.617 1.00 44.43 C ATOM 1261 C LEU A 74 -5.114 9.045 11.651 1.00 30.21 C ATOM 1262 O LEU A 74 -4.444 9.137 12.683 1.00 75.00 O ATOM 1263 CB LEU A 74 -6.059 6.700 11.255 1.00 24.43 C ATOM 1264 CG LEU A 74 -7.259 5.694 11.236 1.00 51.33 C ATOM 1265 CD1 LEU A 74 -6.806 4.283 10.789 1.00 2.30 C ATOM 1266 CD2 LEU A 74 -7.980 5.649 12.603 1.00 1.54 C ATOM 0 H LEU A 74 -7.528 8.133 9.839 1.00 5.33 H new ATOM 0 HA LEU A 74 -6.841 8.196 12.613 1.00 44.43 H new ATOM 0 HB2 LEU A 74 -5.588 6.689 10.272 1.00 24.43 H new ATOM 0 HB3 LEU A 74 -5.319 6.335 11.967 1.00 24.43 H new ATOM 0 HG LEU A 74 -7.977 6.055 10.500 1.00 51.33 H new ATOM 0 HD11 LEU A 74 -7.663 3.609 10.787 1.00 2.30 H new ATOM 0 HD12 LEU A 74 -6.384 4.337 9.785 1.00 2.30 H new ATOM 0 HD13 LEU A 74 -6.051 3.907 11.480 1.00 2.30 H new ATOM 0 HD21 LEU A 74 -8.807 4.941 12.555 1.00 1.54 H new ATOM 0 HD22 LEU A 74 -7.278 5.334 13.375 1.00 1.54 H new ATOM 0 HD23 LEU A 74 -8.364 6.640 12.845 1.00 1.54 H new ATOM 1278 N GLY A 75 -4.809 9.692 10.510 1.00 11.22 N ATOM 1279 CA GLY A 75 -3.685 10.625 10.391 1.00 24.13 C ATOM 1280 C GLY A 75 -2.319 9.957 10.495 1.00 23.02 C ATOM 1281 O GLY A 75 -1.614 10.128 11.490 1.00 15.32 O ATOM 0 H GLY A 75 -5.339 9.578 9.646 1.00 11.22 H new ATOM 0 HA2 GLY A 75 -3.754 11.143 9.434 1.00 24.13 H new ATOM 0 HA3 GLY A 75 -3.769 11.382 11.170 1.00 24.13 H new ATOM 1285 N TYR A 76 -1.954 9.188 9.462 1.00 12.10 N ATOM 1286 CA TYR A 76 -0.636 8.519 9.367 1.00 44.24 C ATOM 1287 C TYR A 76 0.051 8.876 8.048 1.00 71.22 C ATOM 1288 O TYR A 76 -0.611 9.285 7.083 1.00 22.11 O ATOM 1289 CB TYR A 76 -0.782 6.978 9.469 1.00 33.10 C ATOM 1290 CG TYR A 76 -1.273 6.467 10.832 1.00 13.24 C ATOM 1291 CD1 TYR A 76 -0.543 6.722 11.996 1.00 41.31 C ATOM 1292 CD2 TYR A 76 -2.444 5.716 10.952 1.00 11.13 C ATOM 1293 CE1 TYR A 76 -0.970 6.252 13.221 1.00 14.40 C ATOM 1294 CE2 TYR A 76 -2.872 5.244 12.177 1.00 72.32 C ATOM 1295 CZ TYR A 76 -2.132 5.512 13.306 1.00 71.05 C ATOM 1296 OH TYR A 76 -2.556 5.041 14.531 1.00 54.34 O ATOM 0 H TYR A 76 -2.561 9.007 8.662 1.00 12.10 H new ATOM 0 HA TYR A 76 -0.027 8.870 10.201 1.00 44.24 H new ATOM 0 HB2 TYR A 76 -1.476 6.641 8.699 1.00 33.10 H new ATOM 0 HB3 TYR A 76 0.183 6.520 9.251 1.00 33.10 H new ATOM 0 HD1 TYR A 76 0.370 7.296 11.936 1.00 41.31 H new ATOM 0 HD2 TYR A 76 -3.027 5.500 10.069 1.00 11.13 H new ATOM 0 HE1 TYR A 76 -0.396 6.463 14.111 1.00 14.40 H new ATOM 0 HE2 TYR A 76 -3.783 4.668 12.249 1.00 72.32 H new ATOM 0 HH TYR A 76 -3.391 4.540 14.418 1.00 54.34 H new ATOM 1306 N LYS A 77 1.389 8.727 8.023 1.00 23.15 N ATOM 1307 CA LYS A 77 2.170 8.795 6.785 1.00 22.50 C ATOM 1308 C LYS A 77 1.980 7.491 6.008 1.00 61.24 C ATOM 1309 O LYS A 77 2.307 6.407 6.503 1.00 62.22 O ATOM 1310 CB LYS A 77 3.675 9.050 7.068 1.00 34.11 C ATOM 1311 CG LYS A 77 4.608 9.002 5.821 1.00 32.33 C ATOM 1312 CD LYS A 77 4.187 9.944 4.660 1.00 71.34 C ATOM 1313 CE LYS A 77 4.109 11.427 5.064 1.00 44.30 C ATOM 1314 NZ LYS A 77 3.801 12.303 3.898 1.00 63.02 N ATOM 0 H LYS A 77 1.951 8.557 8.857 1.00 23.15 H new ATOM 0 HA LYS A 77 1.813 9.636 6.191 1.00 22.50 H new ATOM 0 HB2 LYS A 77 3.778 10.027 7.540 1.00 34.11 H new ATOM 0 HB3 LYS A 77 4.022 8.310 7.789 1.00 34.11 H new ATOM 0 HG2 LYS A 77 5.621 9.260 6.131 1.00 32.33 H new ATOM 0 HG3 LYS A 77 4.640 7.979 5.447 1.00 32.33 H new ATOM 0 HD2 LYS A 77 4.898 9.837 3.841 1.00 71.34 H new ATOM 0 HD3 LYS A 77 3.215 9.628 4.282 1.00 71.34 H new ATOM 0 HE2 LYS A 77 3.342 11.556 5.828 1.00 44.30 H new ATOM 0 HE3 LYS A 77 5.056 11.733 5.508 1.00 44.30 H new ATOM 0 HZ1 LYS A 77 3.757 13.294 4.210 1.00 63.02 H new ATOM 0 HZ2 LYS A 77 4.546 12.199 3.180 1.00 63.02 H new ATOM 0 HZ3 LYS A 77 2.885 12.028 3.489 1.00 63.02 H new ATOM 1328 N VAL A 78 1.418 7.616 4.807 1.00 70.11 N ATOM 1329 CA VAL A 78 1.150 6.490 3.922 1.00 70.24 C ATOM 1330 C VAL A 78 1.985 6.624 2.653 1.00 50.04 C ATOM 1331 O VAL A 78 1.908 7.640 1.945 1.00 21.01 O ATOM 1332 CB VAL A 78 -0.371 6.393 3.554 1.00 63.34 C ATOM 1333 CG1 VAL A 78 -0.666 5.164 2.663 1.00 54.51 C ATOM 1334 CG2 VAL A 78 -1.232 6.374 4.829 1.00 62.44 C ATOM 0 H VAL A 78 1.133 8.515 4.419 1.00 70.11 H new ATOM 0 HA VAL A 78 1.423 5.575 4.448 1.00 70.24 H new ATOM 0 HB VAL A 78 -0.632 7.279 2.975 1.00 63.34 H new ATOM 0 HG11 VAL A 78 -1.730 5.131 2.429 1.00 54.51 H new ATOM 0 HG12 VAL A 78 -0.094 5.239 1.738 1.00 54.51 H new ATOM 0 HG13 VAL A 78 -0.383 4.254 3.192 1.00 54.51 H new ATOM 0 HG21 VAL A 78 -2.285 6.306 4.556 1.00 62.44 H new ATOM 0 HG22 VAL A 78 -0.959 5.513 5.439 1.00 62.44 H new ATOM 0 HG23 VAL A 78 -1.062 7.289 5.396 1.00 62.44 H new ATOM 1344 N PHE A 79 2.793 5.599 2.387 1.00 14.12 N ATOM 1345 CA PHE A 79 3.491 5.444 1.122 1.00 12.41 C ATOM 1346 C PHE A 79 2.703 4.410 0.309 1.00 22.11 C ATOM 1347 O PHE A 79 2.617 3.243 0.707 1.00 21.42 O ATOM 1348 CB PHE A 79 4.935 4.957 1.363 1.00 71.00 C ATOM 1349 CG PHE A 79 5.847 5.933 2.112 1.00 35.44 C ATOM 1350 CD1 PHE A 79 6.485 6.974 1.438 1.00 0.54 C ATOM 1351 CD2 PHE A 79 6.085 5.798 3.483 1.00 44.31 C ATOM 1352 CE1 PHE A 79 7.331 7.842 2.103 1.00 42.23 C ATOM 1353 CE2 PHE A 79 6.930 6.668 4.146 1.00 31.12 C ATOM 1354 CZ PHE A 79 7.550 7.690 3.459 1.00 61.24 C ATOM 0 H PHE A 79 2.980 4.849 3.052 1.00 14.12 H new ATOM 0 HA PHE A 79 3.554 6.393 0.589 1.00 12.41 H new ATOM 0 HB2 PHE A 79 4.895 4.023 1.923 1.00 71.00 H new ATOM 0 HB3 PHE A 79 5.389 4.731 0.398 1.00 71.00 H new ATOM 0 HD1 PHE A 79 6.315 7.104 0.379 1.00 0.54 H new ATOM 0 HD2 PHE A 79 5.602 5.003 4.032 1.00 44.31 H new ATOM 0 HE1 PHE A 79 7.821 8.639 1.563 1.00 42.23 H new ATOM 0 HE2 PHE A 79 7.105 6.547 5.205 1.00 31.12 H new ATOM 0 HZ PHE A 79 8.206 8.371 3.980 1.00 61.24 H new ATOM 1364 N LEU A 80 2.114 4.840 -0.810 1.00 25.41 N ATOM 1365 CA LEU A 80 1.250 3.989 -1.639 1.00 1.22 C ATOM 1366 C LEU A 80 2.014 3.486 -2.872 1.00 73.03 C ATOM 1367 O LEU A 80 2.694 4.258 -3.545 1.00 12.11 O ATOM 1368 CB LEU A 80 -0.032 4.763 -2.051 1.00 24.04 C ATOM 1369 CG LEU A 80 -1.012 4.023 -3.027 1.00 12.34 C ATOM 1370 CD1 LEU A 80 -1.479 2.670 -2.466 1.00 1.15 C ATOM 1371 CD2 LEU A 80 -2.213 4.915 -3.391 1.00 63.35 C ATOM 0 H LEU A 80 2.222 5.789 -1.169 1.00 25.41 H new ATOM 0 HA LEU A 80 0.948 3.120 -1.055 1.00 1.22 H new ATOM 0 HB2 LEU A 80 -0.582 5.020 -1.145 1.00 24.04 H new ATOM 0 HB3 LEU A 80 0.270 5.701 -2.517 1.00 24.04 H new ATOM 0 HG LEU A 80 -0.454 3.815 -3.940 1.00 12.34 H new ATOM 0 HD11 LEU A 80 -2.155 2.195 -3.177 1.00 1.15 H new ATOM 0 HD12 LEU A 80 -0.615 2.026 -2.302 1.00 1.15 H new ATOM 0 HD13 LEU A 80 -1.998 2.828 -1.521 1.00 1.15 H new ATOM 0 HD21 LEU A 80 -2.875 4.375 -4.069 1.00 63.35 H new ATOM 0 HD22 LEU A 80 -2.758 5.179 -2.485 1.00 63.35 H new ATOM 0 HD23 LEU A 80 -1.857 5.823 -3.878 1.00 63.35 H new ATOM 1383 N LEU A 81 1.905 2.179 -3.141 1.00 33.02 N ATOM 1384 CA LEU A 81 2.466 1.536 -4.327 1.00 70.21 C ATOM 1385 C LEU A 81 1.321 0.941 -5.148 1.00 61.25 C ATOM 1386 O LEU A 81 0.630 0.029 -4.690 1.00 62.00 O ATOM 1387 CB LEU A 81 3.483 0.426 -3.944 1.00 44.42 C ATOM 1388 CG LEU A 81 4.156 -0.310 -5.150 1.00 4.32 C ATOM 1389 CD1 LEU A 81 4.865 0.692 -6.083 1.00 11.40 C ATOM 1390 CD2 LEU A 81 5.117 -1.417 -4.671 1.00 51.45 C ATOM 0 H LEU A 81 1.414 1.530 -2.526 1.00 33.02 H new ATOM 0 HA LEU A 81 3.003 2.282 -4.913 1.00 70.21 H new ATOM 0 HB2 LEU A 81 4.265 0.870 -3.328 1.00 44.42 H new ATOM 0 HB3 LEU A 81 2.973 -0.314 -3.327 1.00 44.42 H new ATOM 0 HG LEU A 81 3.368 -0.796 -5.725 1.00 4.32 H new ATOM 0 HD11 LEU A 81 5.324 0.154 -6.913 1.00 11.40 H new ATOM 0 HD12 LEU A 81 4.138 1.405 -6.471 1.00 11.40 H new ATOM 0 HD13 LEU A 81 5.635 1.226 -5.526 1.00 11.40 H new ATOM 0 HD21 LEU A 81 5.567 -1.907 -5.535 1.00 51.45 H new ATOM 0 HD22 LEU A 81 5.901 -0.977 -4.055 1.00 51.45 H new ATOM 0 HD23 LEU A 81 4.564 -2.151 -4.085 1.00 51.45 H new ATOM 1402 N LEU A 82 1.104 1.486 -6.340 1.00 41.13 N ATOM 1403 CA LEU A 82 0.097 1.002 -7.280 1.00 32.04 C ATOM 1404 C LEU A 82 0.780 0.199 -8.401 1.00 53.42 C ATOM 1405 O LEU A 82 1.560 0.750 -9.181 1.00 75.35 O ATOM 1406 CB LEU A 82 -0.692 2.204 -7.861 1.00 21.03 C ATOM 1407 CG LEU A 82 -1.572 3.001 -6.859 1.00 74.31 C ATOM 1408 CD1 LEU A 82 -2.222 4.226 -7.532 1.00 33.22 C ATOM 1409 CD2 LEU A 82 -2.634 2.088 -6.220 1.00 63.24 C ATOM 0 H LEU A 82 1.630 2.288 -6.686 1.00 41.13 H new ATOM 0 HA LEU A 82 -0.604 0.346 -6.764 1.00 32.04 H new ATOM 0 HB2 LEU A 82 0.020 2.894 -8.314 1.00 21.03 H new ATOM 0 HB3 LEU A 82 -1.333 1.837 -8.662 1.00 21.03 H new ATOM 0 HG LEU A 82 -0.923 3.372 -6.066 1.00 74.31 H new ATOM 0 HD11 LEU A 82 -2.831 4.761 -6.803 1.00 33.22 H new ATOM 0 HD12 LEU A 82 -1.444 4.888 -7.911 1.00 33.22 H new ATOM 0 HD13 LEU A 82 -2.852 3.896 -8.358 1.00 33.22 H new ATOM 0 HD21 LEU A 82 -3.239 2.667 -5.522 1.00 63.24 H new ATOM 0 HD22 LEU A 82 -3.275 1.675 -6.999 1.00 63.24 H new ATOM 0 HD23 LEU A 82 -2.141 1.275 -5.686 1.00 63.24 H new ATOM 1421 N GLN A 83 0.513 -1.110 -8.446 1.00 54.04 N ATOM 1422 CA GLN A 83 0.948 -1.987 -9.535 1.00 62.33 C ATOM 1423 C GLN A 83 -0.246 -2.280 -10.437 1.00 22.30 C ATOM 1424 O GLN A 83 -1.254 -2.838 -9.974 1.00 25.11 O ATOM 1425 CB GLN A 83 1.555 -3.312 -9.001 1.00 11.21 C ATOM 1426 CG GLN A 83 2.155 -4.223 -10.103 1.00 21.33 C ATOM 1427 CD GLN A 83 2.856 -5.467 -9.559 1.00 3.41 C ATOM 1428 OE1 GLN A 83 3.375 -5.468 -8.442 1.00 73.42 O ATOM 1429 NE2 GLN A 83 2.893 -6.535 -10.346 1.00 31.45 N ATOM 0 H GLN A 83 -0.016 -1.594 -7.720 1.00 54.04 H new ATOM 0 HA GLN A 83 1.731 -1.479 -10.099 1.00 62.33 H new ATOM 0 HB2 GLN A 83 2.334 -3.076 -8.276 1.00 11.21 H new ATOM 0 HB3 GLN A 83 0.781 -3.865 -8.469 1.00 11.21 H new ATOM 0 HG2 GLN A 83 1.358 -4.533 -10.779 1.00 21.33 H new ATOM 0 HG3 GLN A 83 2.867 -3.645 -10.692 1.00 21.33 H new ATOM 0 HE21 GLN A 83 2.455 -6.506 -11.266 1.00 31.45 H new ATOM 0 HE22 GLN A 83 3.360 -7.385 -10.030 1.00 31.45 H new ATOM 1438 N ASP A 84 -0.140 -1.868 -11.705 1.00 65.30 N ATOM 1439 CA ASP A 84 -1.159 -2.135 -12.724 1.00 64.04 C ATOM 1440 C ASP A 84 -0.508 -2.083 -14.110 1.00 74.23 C ATOM 1441 O ASP A 84 0.315 -1.205 -14.374 1.00 51.21 O ATOM 1442 CB ASP A 84 -2.324 -1.117 -12.618 1.00 50.23 C ATOM 1443 CG ASP A 84 -3.525 -1.511 -13.491 1.00 23.42 C ATOM 1444 OD1 ASP A 84 -4.302 -2.401 -13.072 1.00 24.43 O ATOM 1445 OD2 ASP A 84 -3.686 -0.969 -14.598 1.00 5.41 O ATOM 0 H ASP A 84 0.659 -1.338 -12.054 1.00 65.30 H new ATOM 0 HA ASP A 84 -1.579 -3.128 -12.564 1.00 64.04 H new ATOM 0 HB2 ASP A 84 -2.643 -1.041 -11.579 1.00 50.23 H new ATOM 0 HB3 ASP A 84 -1.969 -0.130 -12.916 1.00 50.23 H new ATOM 1450 N GLN A 85 -0.878 -3.027 -14.985 1.00 60.53 N ATOM 1451 CA GLN A 85 -0.253 -3.190 -16.313 1.00 73.44 C ATOM 1452 C GLN A 85 -0.787 -2.164 -17.333 1.00 42.14 C ATOM 1453 O GLN A 85 -0.124 -1.872 -18.337 1.00 43.13 O ATOM 1454 CB GLN A 85 -0.482 -4.634 -16.830 1.00 15.23 C ATOM 1455 CG GLN A 85 -0.016 -5.746 -15.856 1.00 11.25 C ATOM 1456 CD GLN A 85 1.478 -5.681 -15.495 1.00 52.03 C ATOM 1457 OE1 GLN A 85 2.317 -5.261 -16.295 1.00 0.54 O ATOM 1458 NE2 GLN A 85 1.826 -6.110 -14.290 1.00 61.24 N ATOM 0 H GLN A 85 -1.619 -3.702 -14.796 1.00 60.53 H new ATOM 0 HA GLN A 85 0.816 -3.009 -16.202 1.00 73.44 H new ATOM 0 HB2 GLN A 85 -1.544 -4.769 -17.035 1.00 15.23 H new ATOM 0 HB3 GLN A 85 0.043 -4.755 -17.778 1.00 15.23 H new ATOM 0 HG2 GLN A 85 -0.603 -5.681 -14.940 1.00 11.25 H new ATOM 0 HG3 GLN A 85 -0.229 -6.717 -16.302 1.00 11.25 H new ATOM 0 HE21 GLN A 85 1.114 -6.453 -13.645 1.00 61.24 H new ATOM 0 HE22 GLN A 85 2.806 -6.097 -14.007 1.00 61.24 H new ATOM 1467 N ASP A 86 -1.988 -1.629 -17.078 1.00 3.05 N ATOM 1468 CA ASP A 86 -2.616 -0.614 -17.937 1.00 64.40 C ATOM 1469 C ASP A 86 -2.239 0.767 -17.389 1.00 45.23 C ATOM 1470 O ASP A 86 -2.921 1.316 -16.525 1.00 2.22 O ATOM 1471 CB ASP A 86 -4.149 -0.819 -17.997 1.00 34.41 C ATOM 1472 CG ASP A 86 -4.542 -2.163 -18.632 1.00 61.32 C ATOM 1473 OD1 ASP A 86 -4.574 -2.252 -19.882 1.00 35.01 O ATOM 1474 OD2 ASP A 86 -4.807 -3.140 -17.893 1.00 1.12 O ATOM 0 H ASP A 86 -2.553 -1.887 -16.269 1.00 3.05 H new ATOM 0 HA ASP A 86 -2.256 -0.703 -18.962 1.00 64.40 H new ATOM 0 HB2 ASP A 86 -4.559 -0.764 -16.988 1.00 34.41 H new ATOM 0 HB3 ASP A 86 -4.598 -0.007 -18.568 1.00 34.41 H new ATOM 1479 N GLU A 87 -1.120 1.309 -17.902 1.00 50.55 N ATOM 1480 CA GLU A 87 -0.422 2.460 -17.303 1.00 70.13 C ATOM 1481 C GLU A 87 -1.143 3.799 -17.508 1.00 70.02 C ATOM 1482 O GLU A 87 -0.839 4.767 -16.806 1.00 65.43 O ATOM 1483 CB GLU A 87 1.030 2.516 -17.828 1.00 62.01 C ATOM 1484 CG GLU A 87 1.858 1.282 -17.412 1.00 43.42 C ATOM 1485 CD GLU A 87 3.341 1.371 -17.791 1.00 12.12 C ATOM 1486 OE1 GLU A 87 4.117 1.996 -17.040 1.00 51.31 O ATOM 1487 OE2 GLU A 87 3.740 0.816 -18.835 1.00 61.42 O ATOM 0 H GLU A 87 -0.672 0.958 -18.749 1.00 50.55 H new ATOM 0 HA GLU A 87 -0.417 2.304 -16.224 1.00 70.13 H new ATOM 0 HB2 GLU A 87 1.017 2.591 -18.915 1.00 62.01 H new ATOM 0 HB3 GLU A 87 1.514 3.418 -17.452 1.00 62.01 H new ATOM 0 HG2 GLU A 87 1.776 1.149 -16.333 1.00 43.42 H new ATOM 0 HG3 GLU A 87 1.427 0.395 -17.876 1.00 43.42 H new ATOM 1494 N ASN A 88 -2.085 3.855 -18.454 1.00 11.22 N ATOM 1495 CA ASN A 88 -2.922 5.054 -18.662 1.00 63.23 C ATOM 1496 C ASN A 88 -3.940 5.159 -17.511 1.00 31.15 C ATOM 1497 O ASN A 88 -4.148 6.238 -16.946 1.00 51.12 O ATOM 1498 CB ASN A 88 -3.636 5.005 -20.043 1.00 64.41 C ATOM 1499 CG ASN A 88 -2.664 4.905 -21.234 1.00 64.13 C ATOM 1500 OD1 ASN A 88 -1.556 4.372 -21.120 1.00 42.20 O ATOM 1501 ND2 ASN A 88 -3.074 5.400 -22.391 1.00 71.04 N ATOM 0 H ASN A 88 -2.292 3.086 -19.092 1.00 11.22 H new ATOM 0 HA ASN A 88 -2.289 5.941 -18.662 1.00 63.23 H new ATOM 0 HB2 ASN A 88 -4.312 4.150 -20.063 1.00 64.41 H new ATOM 0 HB3 ASN A 88 -4.249 5.899 -20.158 1.00 64.41 H new ATOM 0 HD21 ASN A 88 -2.471 5.345 -23.212 1.00 71.04 H new ATOM 0 HD22 ASN A 88 -3.993 5.836 -22.462 1.00 71.04 H new ATOM 1508 N GLU A 89 -4.513 3.992 -17.141 1.00 64.34 N ATOM 1509 CA GLU A 89 -5.490 3.868 -16.038 1.00 21.23 C ATOM 1510 C GLU A 89 -4.772 3.987 -14.684 1.00 14.43 C ATOM 1511 O GLU A 89 -5.299 4.574 -13.740 1.00 41.21 O ATOM 1512 CB GLU A 89 -6.240 2.508 -16.127 1.00 63.53 C ATOM 1513 CG GLU A 89 -6.909 2.228 -17.493 1.00 72.02 C ATOM 1514 CD GLU A 89 -7.768 0.945 -17.501 1.00 34.34 C ATOM 1515 OE1 GLU A 89 -7.255 -0.126 -17.133 1.00 45.02 O ATOM 1516 OE2 GLU A 89 -8.952 1.000 -17.896 1.00 74.31 O ATOM 0 H GLU A 89 -4.309 3.105 -17.602 1.00 64.34 H new ATOM 0 HA GLU A 89 -6.219 4.673 -16.126 1.00 21.23 H new ATOM 0 HB2 GLU A 89 -5.535 1.705 -15.911 1.00 63.53 H new ATOM 0 HB3 GLU A 89 -7.004 2.478 -15.350 1.00 63.53 H new ATOM 0 HG2 GLU A 89 -7.535 3.078 -17.764 1.00 72.02 H new ATOM 0 HG3 GLU A 89 -6.137 2.145 -18.258 1.00 72.02 H new ATOM 1523 N LEU A 90 -3.550 3.428 -14.639 1.00 51.11 N ATOM 1524 CA LEU A 90 -2.668 3.458 -13.470 1.00 52.04 C ATOM 1525 C LEU A 90 -2.288 4.908 -13.108 1.00 50.33 C ATOM 1526 O LEU A 90 -2.322 5.283 -11.936 1.00 12.44 O ATOM 1527 CB LEU A 90 -1.402 2.607 -13.772 1.00 53.41 C ATOM 1528 CG LEU A 90 -0.253 2.625 -12.718 1.00 5.44 C ATOM 1529 CD1 LEU A 90 -0.761 2.230 -11.327 1.00 72.05 C ATOM 1530 CD2 LEU A 90 0.927 1.732 -13.162 1.00 65.03 C ATOM 0 H LEU A 90 -3.144 2.934 -15.433 1.00 51.11 H new ATOM 0 HA LEU A 90 -3.188 3.035 -12.610 1.00 52.04 H new ATOM 0 HB2 LEU A 90 -1.717 1.572 -13.908 1.00 53.41 H new ATOM 0 HB3 LEU A 90 -0.990 2.943 -14.724 1.00 53.41 H new ATOM 0 HG LEU A 90 0.115 3.649 -12.651 1.00 5.44 H new ATOM 0 HD11 LEU A 90 0.066 2.253 -10.617 1.00 72.05 H new ATOM 0 HD12 LEU A 90 -1.532 2.931 -11.009 1.00 72.05 H new ATOM 0 HD13 LEU A 90 -1.179 1.224 -11.364 1.00 72.05 H new ATOM 0 HD21 LEU A 90 1.712 1.765 -12.407 1.00 65.03 H new ATOM 0 HD22 LEU A 90 0.581 0.705 -13.281 1.00 65.03 H new ATOM 0 HD23 LEU A 90 1.321 2.095 -14.111 1.00 65.03 H new ATOM 1542 N GLU A 91 -1.944 5.703 -14.139 1.00 4.24 N ATOM 1543 CA GLU A 91 -1.563 7.118 -13.981 1.00 22.41 C ATOM 1544 C GLU A 91 -2.764 7.957 -13.504 1.00 64.34 C ATOM 1545 O GLU A 91 -2.614 8.754 -12.575 1.00 31.11 O ATOM 1546 CB GLU A 91 -0.981 7.662 -15.317 1.00 34.23 C ATOM 1547 CG GLU A 91 -0.707 9.185 -15.363 1.00 24.12 C ATOM 1548 CD GLU A 91 0.245 9.718 -14.264 1.00 52.33 C ATOM 1549 OE1 GLU A 91 1.358 9.186 -14.119 1.00 34.01 O ATOM 1550 OE2 GLU A 91 -0.109 10.678 -13.542 1.00 1.52 O ATOM 0 H GLU A 91 -1.923 5.381 -15.106 1.00 4.24 H new ATOM 0 HA GLU A 91 -0.790 7.195 -13.216 1.00 22.41 H new ATOM 0 HB2 GLU A 91 -0.048 7.138 -15.525 1.00 34.23 H new ATOM 0 HB3 GLU A 91 -1.673 7.412 -16.121 1.00 34.23 H new ATOM 0 HG2 GLU A 91 -0.286 9.433 -16.337 1.00 24.12 H new ATOM 0 HG3 GLU A 91 -1.658 9.711 -15.284 1.00 24.12 H new ATOM 1557 N GLU A 92 -3.941 7.754 -14.137 1.00 35.25 N ATOM 1558 CA GLU A 92 -5.197 8.432 -13.745 1.00 42.33 C ATOM 1559 C GLU A 92 -5.543 8.187 -12.261 1.00 11.11 C ATOM 1560 O GLU A 92 -5.756 9.136 -11.499 1.00 13.51 O ATOM 1561 CB GLU A 92 -6.376 7.971 -14.642 1.00 15.31 C ATOM 1562 CG GLU A 92 -6.333 8.503 -16.084 1.00 5.34 C ATOM 1563 CD GLU A 92 -6.398 10.042 -16.158 1.00 70.44 C ATOM 1564 OE1 GLU A 92 -7.408 10.620 -15.705 1.00 12.33 O ATOM 1565 OE2 GLU A 92 -5.464 10.678 -16.685 1.00 13.12 O ATOM 0 H GLU A 92 -4.047 7.120 -14.929 1.00 35.25 H new ATOM 0 HA GLU A 92 -5.038 9.501 -13.884 1.00 42.33 H new ATOM 0 HB2 GLU A 92 -6.388 6.881 -14.671 1.00 15.31 H new ATOM 0 HB3 GLU A 92 -7.311 8.287 -14.180 1.00 15.31 H new ATOM 0 HG2 GLU A 92 -5.417 8.159 -16.565 1.00 5.34 H new ATOM 0 HG3 GLU A 92 -7.166 8.082 -16.646 1.00 5.34 H new ATOM 1572 N PHE A 93 -5.566 6.905 -11.877 1.00 53.42 N ATOM 1573 CA PHE A 93 -5.904 6.470 -10.514 1.00 61.01 C ATOM 1574 C PHE A 93 -4.883 7.028 -9.490 1.00 71.40 C ATOM 1575 O PHE A 93 -5.263 7.460 -8.396 1.00 53.23 O ATOM 1576 CB PHE A 93 -5.963 4.918 -10.476 1.00 70.14 C ATOM 1577 CG PHE A 93 -6.475 4.333 -9.164 1.00 21.15 C ATOM 1578 CD1 PHE A 93 -7.785 4.567 -8.752 1.00 72.23 C ATOM 1579 CD2 PHE A 93 -5.657 3.554 -8.342 1.00 44.15 C ATOM 1580 CE1 PHE A 93 -8.256 4.048 -7.566 1.00 33.14 C ATOM 1581 CE2 PHE A 93 -6.133 3.036 -7.156 1.00 52.11 C ATOM 1582 CZ PHE A 93 -7.433 3.285 -6.767 1.00 64.11 C ATOM 0 H PHE A 93 -5.349 6.133 -12.508 1.00 53.42 H new ATOM 0 HA PHE A 93 -6.881 6.864 -10.236 1.00 61.01 H new ATOM 0 HB2 PHE A 93 -6.604 4.572 -11.287 1.00 70.14 H new ATOM 0 HB3 PHE A 93 -4.965 4.525 -10.669 1.00 70.14 H new ATOM 0 HD1 PHE A 93 -8.440 5.163 -9.370 1.00 72.23 H new ATOM 0 HD2 PHE A 93 -4.638 3.355 -8.639 1.00 44.15 H new ATOM 0 HE1 PHE A 93 -9.274 4.240 -7.261 1.00 33.14 H new ATOM 0 HE2 PHE A 93 -5.488 2.435 -6.532 1.00 52.11 H new ATOM 0 HZ PHE A 93 -7.805 2.882 -5.837 1.00 64.11 H new ATOM 1592 N LYS A 94 -3.595 7.044 -9.895 1.00 61.13 N ATOM 1593 CA LYS A 94 -2.475 7.553 -9.079 1.00 43.21 C ATOM 1594 C LYS A 94 -2.646 9.055 -8.782 1.00 51.14 C ATOM 1595 O LYS A 94 -2.595 9.455 -7.620 1.00 1.43 O ATOM 1596 CB LYS A 94 -1.120 7.258 -9.810 1.00 52.14 C ATOM 1597 CG LYS A 94 0.197 7.643 -9.055 1.00 64.11 C ATOM 1598 CD LYS A 94 0.619 9.125 -9.212 1.00 75.15 C ATOM 1599 CE LYS A 94 0.892 9.505 -10.672 1.00 55.53 C ATOM 1600 NZ LYS A 94 1.064 10.970 -10.843 1.00 71.21 N ATOM 0 H LYS A 94 -3.302 6.699 -10.809 1.00 61.13 H new ATOM 0 HA LYS A 94 -2.469 7.039 -8.118 1.00 43.21 H new ATOM 0 HB2 LYS A 94 -1.082 6.192 -10.034 1.00 52.14 H new ATOM 0 HB3 LYS A 94 -1.129 7.785 -10.764 1.00 52.14 H new ATOM 0 HG2 LYS A 94 0.070 7.425 -7.995 1.00 64.11 H new ATOM 0 HG3 LYS A 94 1.006 7.008 -9.416 1.00 64.11 H new ATOM 0 HD2 LYS A 94 -0.166 9.767 -8.813 1.00 75.15 H new ATOM 0 HD3 LYS A 94 1.514 9.310 -8.618 1.00 75.15 H new ATOM 0 HE2 LYS A 94 1.789 8.992 -11.018 1.00 55.53 H new ATOM 0 HE3 LYS A 94 0.067 9.162 -11.296 1.00 55.53 H new ATOM 0 HZ1 LYS A 94 1.798 11.152 -11.557 1.00 71.21 H new ATOM 0 HZ2 LYS A 94 0.165 11.391 -11.154 1.00 71.21 H new ATOM 0 HZ3 LYS A 94 1.350 11.394 -9.937 1.00 71.21 H new ATOM 1614 N ARG A 95 -2.856 9.865 -9.844 1.00 72.41 N ATOM 1615 CA ARG A 95 -2.862 11.345 -9.737 1.00 12.11 C ATOM 1616 C ARG A 95 -4.077 11.878 -8.957 1.00 12.45 C ATOM 1617 O ARG A 95 -4.000 12.958 -8.360 1.00 61.21 O ATOM 1618 CB ARG A 95 -2.746 12.019 -11.136 1.00 53.51 C ATOM 1619 CG ARG A 95 -3.855 11.669 -12.150 1.00 55.23 C ATOM 1620 CD ARG A 95 -3.791 12.493 -13.447 1.00 13.11 C ATOM 1621 NE ARG A 95 -2.459 12.474 -14.080 1.00 43.13 N ATOM 1622 CZ ARG A 95 -2.217 12.437 -15.400 1.00 43.22 C ATOM 1623 NH1 ARG A 95 -3.209 12.382 -16.285 1.00 13.32 N ATOM 1624 NH2 ARG A 95 -0.964 12.470 -15.822 1.00 60.52 N ATOM 0 H ARG A 95 -3.024 9.519 -10.789 1.00 72.41 H new ATOM 0 HA ARG A 95 -1.978 11.616 -9.160 1.00 12.11 H new ATOM 0 HB2 ARG A 95 -2.737 13.100 -10.997 1.00 53.51 H new ATOM 0 HB3 ARG A 95 -1.785 11.745 -11.570 1.00 53.51 H new ATOM 0 HG2 ARG A 95 -3.786 10.610 -12.399 1.00 55.23 H new ATOM 0 HG3 ARG A 95 -4.826 11.823 -11.680 1.00 55.23 H new ATOM 0 HD2 ARG A 95 -4.527 12.107 -14.152 1.00 13.11 H new ATOM 0 HD3 ARG A 95 -4.068 13.524 -13.229 1.00 13.11 H new ATOM 0 HE ARG A 95 -1.650 12.490 -13.460 1.00 43.13 H new ATOM 0 HH11 ARG A 95 -4.177 12.367 -15.965 1.00 13.32 H new ATOM 0 HH12 ARG A 95 -3.001 12.355 -17.283 1.00 13.32 H new ATOM 0 HH21 ARG A 95 -0.200 12.523 -15.148 1.00 60.52 H new ATOM 0 HH22 ARG A 95 -0.762 12.443 -16.821 1.00 60.52 H new ATOM 1638 N LYS A 96 -5.186 11.105 -8.952 1.00 70.34 N ATOM 1639 CA LYS A 96 -6.359 11.394 -8.100 1.00 11.10 C ATOM 1640 C LYS A 96 -5.948 11.365 -6.601 1.00 70.42 C ATOM 1641 O LYS A 96 -6.276 12.274 -5.834 1.00 42.51 O ATOM 1642 CB LYS A 96 -7.526 10.372 -8.379 1.00 22.44 C ATOM 1643 CG LYS A 96 -8.685 10.842 -9.322 1.00 51.52 C ATOM 1644 CD LYS A 96 -8.367 10.872 -10.843 1.00 71.22 C ATOM 1645 CE LYS A 96 -7.506 12.065 -11.293 1.00 74.02 C ATOM 1646 NZ LYS A 96 -8.167 13.376 -11.045 1.00 50.43 N ATOM 0 H LYS A 96 -5.292 10.273 -9.532 1.00 70.34 H new ATOM 0 HA LYS A 96 -6.726 12.391 -8.344 1.00 11.10 H new ATOM 0 HB2 LYS A 96 -7.089 9.470 -8.807 1.00 22.44 H new ATOM 0 HB3 LYS A 96 -7.964 10.091 -7.421 1.00 22.44 H new ATOM 0 HG2 LYS A 96 -9.541 10.186 -9.165 1.00 51.52 H new ATOM 0 HG3 LYS A 96 -8.990 11.843 -9.017 1.00 51.52 H new ATOM 0 HD2 LYS A 96 -7.854 9.949 -11.112 1.00 71.22 H new ATOM 0 HD3 LYS A 96 -9.306 10.888 -11.397 1.00 71.22 H new ATOM 0 HE2 LYS A 96 -6.552 12.038 -10.767 1.00 74.02 H new ATOM 0 HE3 LYS A 96 -7.286 11.969 -12.356 1.00 74.02 H new ATOM 0 HZ1 LYS A 96 -7.657 14.124 -11.557 1.00 50.43 H new ATOM 0 HZ2 LYS A 96 -9.151 13.337 -11.379 1.00 50.43 H new ATOM 0 HZ3 LYS A 96 -8.155 13.584 -10.026 1.00 50.43 H new ATOM 1660 N ILE A 97 -5.193 10.320 -6.230 1.00 42.01 N ATOM 1661 CA ILE A 97 -4.776 10.046 -4.838 1.00 15.32 C ATOM 1662 C ILE A 97 -3.548 10.895 -4.434 1.00 43.33 C ATOM 1663 O ILE A 97 -3.376 11.256 -3.260 1.00 33.30 O ATOM 1664 CB ILE A 97 -4.450 8.520 -4.691 1.00 32.41 C ATOM 1665 CG1 ILE A 97 -5.685 7.665 -5.121 1.00 52.31 C ATOM 1666 CG2 ILE A 97 -4.002 8.172 -3.254 1.00 14.13 C ATOM 1667 CD1 ILE A 97 -5.405 6.182 -5.263 1.00 2.21 C ATOM 0 H ILE A 97 -4.847 9.628 -6.895 1.00 42.01 H new ATOM 0 HA ILE A 97 -5.594 10.318 -4.171 1.00 15.32 H new ATOM 0 HB ILE A 97 -3.616 8.283 -5.352 1.00 32.41 H new ATOM 0 HG12 ILE A 97 -6.479 7.803 -4.388 1.00 52.31 H new ATOM 0 HG13 ILE A 97 -6.060 8.044 -6.072 1.00 52.31 H new ATOM 0 HG21 ILE A 97 -3.784 7.106 -3.189 1.00 14.13 H new ATOM 0 HG22 ILE A 97 -3.107 8.741 -3.004 1.00 14.13 H new ATOM 0 HG23 ILE A 97 -4.799 8.423 -2.554 1.00 14.13 H new ATOM 0 HD11 ILE A 97 -6.317 5.667 -5.564 1.00 2.21 H new ATOM 0 HD12 ILE A 97 -4.635 6.028 -6.019 1.00 2.21 H new ATOM 0 HD13 ILE A 97 -5.061 5.784 -4.308 1.00 2.21 H new ATOM 1679 N GLU A 98 -2.714 11.225 -5.437 1.00 5.02 N ATOM 1680 CA GLU A 98 -1.489 12.023 -5.255 1.00 52.44 C ATOM 1681 C GLU A 98 -1.860 13.428 -4.752 1.00 43.10 C ATOM 1682 O GLU A 98 -1.232 13.953 -3.826 1.00 54.14 O ATOM 1683 CB GLU A 98 -0.712 12.126 -6.598 1.00 34.25 C ATOM 1684 CG GLU A 98 0.633 12.880 -6.507 1.00 2.30 C ATOM 1685 CD GLU A 98 1.255 13.175 -7.881 1.00 11.12 C ATOM 1686 OE1 GLU A 98 1.908 12.283 -8.459 1.00 1.20 O ATOM 1687 OE2 GLU A 98 1.085 14.300 -8.398 1.00 13.22 O ATOM 0 H GLU A 98 -2.873 10.943 -6.404 1.00 5.02 H new ATOM 0 HA GLU A 98 -0.850 11.534 -4.519 1.00 52.44 H new ATOM 0 HB2 GLU A 98 -0.525 11.120 -6.972 1.00 34.25 H new ATOM 0 HB3 GLU A 98 -1.345 12.626 -7.331 1.00 34.25 H new ATOM 0 HG2 GLU A 98 0.481 13.819 -5.975 1.00 2.30 H new ATOM 0 HG3 GLU A 98 1.334 12.290 -5.917 1.00 2.30 H new ATOM 1694 N SER A 99 -2.938 13.977 -5.347 1.00 73.00 N ATOM 1695 CA SER A 99 -3.450 15.316 -5.035 1.00 0.34 C ATOM 1696 C SER A 99 -4.089 15.351 -3.629 1.00 2.44 C ATOM 1697 O SER A 99 -4.101 16.401 -2.977 1.00 50.40 O ATOM 1698 CB SER A 99 -4.469 15.743 -6.115 1.00 52.13 C ATOM 1699 OG SER A 99 -4.920 17.077 -5.917 1.00 34.24 O ATOM 0 H SER A 99 -3.479 13.494 -6.064 1.00 73.00 H new ATOM 0 HA SER A 99 -2.618 16.021 -5.033 1.00 0.34 H new ATOM 0 HB2 SER A 99 -4.012 15.656 -7.101 1.00 52.13 H new ATOM 0 HB3 SER A 99 -5.322 15.065 -6.098 1.00 52.13 H new ATOM 0 HG SER A 99 -5.562 17.313 -6.619 1.00 34.24 H new ATOM 1705 N GLN A 100 -4.607 14.187 -3.167 1.00 21.01 N ATOM 1706 CA GLN A 100 -5.180 14.038 -1.805 1.00 52.22 C ATOM 1707 C GLN A 100 -4.089 14.162 -0.713 1.00 44.54 C ATOM 1708 O GLN A 100 -4.406 14.379 0.461 1.00 14.43 O ATOM 1709 CB GLN A 100 -5.918 12.678 -1.661 1.00 44.02 C ATOM 1710 CG GLN A 100 -7.091 12.473 -2.637 1.00 44.23 C ATOM 1711 CD GLN A 100 -7.713 11.073 -2.563 1.00 24.32 C ATOM 1712 OE1 GLN A 100 -7.722 10.426 -1.513 1.00 35.21 O ATOM 1713 NE2 GLN A 100 -8.238 10.592 -3.680 1.00 12.12 N ATOM 0 H GLN A 100 -4.640 13.332 -3.722 1.00 21.01 H new ATOM 0 HA GLN A 100 -5.897 14.847 -1.666 1.00 52.22 H new ATOM 0 HB2 GLN A 100 -5.198 11.873 -1.806 1.00 44.02 H new ATOM 0 HB3 GLN A 100 -6.293 12.590 -0.641 1.00 44.02 H new ATOM 0 HG2 GLN A 100 -7.861 13.215 -2.427 1.00 44.23 H new ATOM 0 HG3 GLN A 100 -6.743 12.654 -3.654 1.00 44.23 H new ATOM 0 HE21 GLN A 100 -8.217 11.149 -4.534 1.00 12.12 H new ATOM 0 HE22 GLN A 100 -8.663 9.665 -3.686 1.00 12.12 H new ATOM 1722 N GLY A 101 -2.810 14.006 -1.113 1.00 64.32 N ATOM 1723 CA GLY A 101 -1.664 14.192 -0.212 1.00 4.23 C ATOM 1724 C GLY A 101 -1.034 12.877 0.205 1.00 33.41 C ATOM 1725 O GLY A 101 -0.695 12.681 1.378 1.00 32.43 O ATOM 0 H GLY A 101 -2.548 13.749 -2.065 1.00 64.32 H new ATOM 0 HA2 GLY A 101 -0.914 14.810 -0.706 1.00 4.23 H new ATOM 0 HA3 GLY A 101 -1.989 14.734 0.676 1.00 4.23 H new ATOM 1729 N TYR A 102 -0.890 11.964 -0.765 1.00 52.02 N ATOM 1730 CA TYR A 102 -0.263 10.646 -0.554 1.00 11.32 C ATOM 1731 C TYR A 102 0.968 10.508 -1.446 1.00 22.13 C ATOM 1732 O TYR A 102 0.943 10.932 -2.614 1.00 72.22 O ATOM 1733 CB TYR A 102 -1.284 9.511 -0.827 1.00 52.33 C ATOM 1734 CG TYR A 102 -2.403 9.451 0.219 1.00 32.51 C ATOM 1735 CD1 TYR A 102 -2.243 8.717 1.394 1.00 14.04 C ATOM 1736 CD2 TYR A 102 -3.591 10.167 0.057 1.00 61.22 C ATOM 1737 CE1 TYR A 102 -3.222 8.699 2.364 1.00 2.30 C ATOM 1738 CE2 TYR A 102 -4.576 10.144 1.022 1.00 50.32 C ATOM 1739 CZ TYR A 102 -4.387 9.411 2.176 1.00 54.55 C ATOM 1740 OH TYR A 102 -5.353 9.405 3.151 1.00 22.33 O ATOM 0 H TYR A 102 -1.205 12.117 -1.723 1.00 52.02 H new ATOM 0 HA TYR A 102 0.056 10.564 0.485 1.00 11.32 H new ATOM 0 HB2 TYR A 102 -1.724 9.654 -1.814 1.00 52.33 H new ATOM 0 HB3 TYR A 102 -0.760 8.555 -0.847 1.00 52.33 H new ATOM 0 HD1 TYR A 102 -1.335 8.152 1.547 1.00 14.04 H new ATOM 0 HD2 TYR A 102 -3.741 10.749 -0.840 1.00 61.22 H new ATOM 0 HE1 TYR A 102 -3.077 8.128 3.269 1.00 2.30 H new ATOM 0 HE2 TYR A 102 -5.492 10.697 0.875 1.00 50.32 H new ATOM 0 HH TYR A 102 -5.842 8.556 3.122 1.00 22.33 H new ATOM 1750 N GLU A 103 2.051 9.939 -0.886 1.00 61.33 N ATOM 1751 CA GLU A 103 3.290 9.693 -1.625 1.00 43.41 C ATOM 1752 C GLU A 103 3.129 8.383 -2.416 1.00 3.11 C ATOM 1753 O GLU A 103 3.353 7.292 -1.882 1.00 43.20 O ATOM 1754 CB GLU A 103 4.499 9.633 -0.651 1.00 1.22 C ATOM 1755 CG GLU A 103 5.884 9.568 -1.335 1.00 31.01 C ATOM 1756 CD GLU A 103 6.199 10.810 -2.193 1.00 71.43 C ATOM 1757 OE1 GLU A 103 6.683 11.821 -1.640 1.00 54.21 O ATOM 1758 OE2 GLU A 103 5.953 10.790 -3.423 1.00 22.34 O ATOM 0 H GLU A 103 2.086 9.640 0.089 1.00 61.33 H new ATOM 0 HA GLU A 103 3.485 10.508 -2.322 1.00 43.41 H new ATOM 0 HB2 GLU A 103 4.470 10.510 -0.005 1.00 1.22 H new ATOM 0 HB3 GLU A 103 4.386 8.760 -0.008 1.00 1.22 H new ATOM 0 HG2 GLU A 103 6.654 9.458 -0.571 1.00 31.01 H new ATOM 0 HG3 GLU A 103 5.929 8.679 -1.964 1.00 31.01 H new ATOM 1765 N VAL A 104 2.688 8.504 -3.681 1.00 61.34 N ATOM 1766 CA VAL A 104 2.301 7.351 -4.508 1.00 4.32 C ATOM 1767 C VAL A 104 3.326 7.107 -5.622 1.00 34.23 C ATOM 1768 O VAL A 104 3.603 8.008 -6.421 1.00 62.11 O ATOM 1769 CB VAL A 104 0.882 7.544 -5.174 1.00 63.42 C ATOM 1770 CG1 VAL A 104 0.395 6.218 -5.803 1.00 21.31 C ATOM 1771 CG2 VAL A 104 -0.162 8.099 -4.180 1.00 21.01 C ATOM 0 H VAL A 104 2.591 9.401 -4.156 1.00 61.34 H new ATOM 0 HA VAL A 104 2.263 6.494 -3.836 1.00 4.32 H new ATOM 0 HB VAL A 104 0.993 8.288 -5.963 1.00 63.42 H new ATOM 0 HG11 VAL A 104 -0.584 6.369 -6.257 1.00 21.31 H new ATOM 0 HG12 VAL A 104 1.103 5.896 -6.566 1.00 21.31 H new ATOM 0 HG13 VAL A 104 0.322 5.454 -5.029 1.00 21.31 H new ATOM 0 HG21 VAL A 104 -1.121 8.214 -4.686 1.00 21.01 H new ATOM 0 HG22 VAL A 104 -0.273 7.407 -3.345 1.00 21.01 H new ATOM 0 HG23 VAL A 104 0.170 9.068 -3.807 1.00 21.01 H new ATOM 1781 N ARG A 105 3.882 5.890 -5.672 1.00 40.40 N ATOM 1782 CA ARG A 105 4.664 5.396 -6.813 1.00 4.40 C ATOM 1783 C ARG A 105 3.834 4.366 -7.588 1.00 24.12 C ATOM 1784 O ARG A 105 2.953 3.702 -7.030 1.00 23.12 O ATOM 1785 CB ARG A 105 5.997 4.755 -6.346 1.00 54.23 C ATOM 1786 CG ARG A 105 7.070 5.750 -5.856 1.00 53.15 C ATOM 1787 CD ARG A 105 7.661 6.610 -6.986 1.00 63.35 C ATOM 1788 NE ARG A 105 8.355 5.791 -8.002 1.00 31.53 N ATOM 1789 CZ ARG A 105 9.460 6.153 -8.676 1.00 34.43 C ATOM 1790 NH1 ARG A 105 10.042 7.339 -8.468 1.00 20.42 N ATOM 1791 NH2 ARG A 105 9.977 5.328 -9.574 1.00 44.34 N ATOM 0 H ARG A 105 3.801 5.213 -4.913 1.00 40.40 H new ATOM 0 HA ARG A 105 4.906 6.240 -7.458 1.00 4.40 H new ATOM 0 HB2 ARG A 105 5.781 4.053 -5.541 1.00 54.23 H new ATOM 0 HB3 ARG A 105 6.412 4.176 -7.171 1.00 54.23 H new ATOM 0 HG2 ARG A 105 6.632 6.404 -5.102 1.00 53.15 H new ATOM 0 HG3 ARG A 105 7.874 5.197 -5.371 1.00 53.15 H new ATOM 0 HD2 ARG A 105 6.863 7.179 -7.463 1.00 63.35 H new ATOM 0 HD3 ARG A 105 8.360 7.332 -6.564 1.00 63.35 H new ATOM 0 HE ARG A 105 7.962 4.873 -8.209 1.00 31.53 H new ATOM 0 HH11 ARG A 105 9.648 7.988 -7.787 1.00 20.42 H new ATOM 0 HH12 ARG A 105 10.880 7.594 -8.990 1.00 20.42 H new ATOM 0 HH21 ARG A 105 9.537 4.425 -9.750 1.00 44.34 H new ATOM 0 HH22 ARG A 105 10.815 5.596 -10.089 1.00 44.34 H new ATOM 1805 N LYS A 106 4.127 4.262 -8.877 1.00 33.44 N ATOM 1806 CA LYS A 106 3.551 3.263 -9.785 1.00 61.02 C ATOM 1807 C LYS A 106 4.578 2.143 -10.029 1.00 31.03 C ATOM 1808 O LYS A 106 5.765 2.305 -9.691 1.00 74.35 O ATOM 1809 CB LYS A 106 3.193 3.949 -11.120 1.00 71.21 C ATOM 1810 CG LYS A 106 2.198 5.130 -11.001 1.00 53.41 C ATOM 1811 CD LYS A 106 2.057 5.903 -12.333 1.00 1.41 C ATOM 1812 CE LYS A 106 3.378 6.580 -12.756 1.00 4.43 C ATOM 1813 NZ LYS A 106 3.354 7.038 -14.170 1.00 60.23 N ATOM 0 H LYS A 106 4.790 4.885 -9.339 1.00 33.44 H new ATOM 0 HA LYS A 106 2.652 2.831 -9.345 1.00 61.02 H new ATOM 0 HB2 LYS A 106 4.111 4.312 -11.583 1.00 71.21 H new ATOM 0 HB3 LYS A 106 2.770 3.203 -11.793 1.00 71.21 H new ATOM 0 HG2 LYS A 106 1.222 4.753 -10.695 1.00 53.41 H new ATOM 0 HG3 LYS A 106 2.535 5.811 -10.220 1.00 53.41 H new ATOM 0 HD2 LYS A 106 1.735 5.217 -13.117 1.00 1.41 H new ATOM 0 HD3 LYS A 106 1.279 6.660 -12.232 1.00 1.41 H new ATOM 0 HE2 LYS A 106 3.571 7.432 -12.104 1.00 4.43 H new ATOM 0 HE3 LYS A 106 4.202 5.880 -12.618 1.00 4.43 H new ATOM 0 HZ1 LYS A 106 4.299 7.377 -14.441 1.00 60.23 H new ATOM 0 HZ2 LYS A 106 3.080 6.247 -14.787 1.00 60.23 H new ATOM 0 HZ3 LYS A 106 2.666 7.811 -14.273 1.00 60.23 H new ATOM 1827 N VAL A 107 4.123 1.024 -10.632 1.00 2.42 N ATOM 1828 CA VAL A 107 4.999 -0.081 -11.077 1.00 65.43 C ATOM 1829 C VAL A 107 4.207 -1.085 -11.953 1.00 42.11 C ATOM 1830 O VAL A 107 2.980 -1.173 -11.857 1.00 41.32 O ATOM 1831 CB VAL A 107 5.697 -0.821 -9.864 1.00 60.02 C ATOM 1832 CG1 VAL A 107 4.681 -1.510 -8.931 1.00 43.13 C ATOM 1833 CG2 VAL A 107 6.775 -1.806 -10.351 1.00 44.40 C ATOM 0 H VAL A 107 3.135 0.861 -10.824 1.00 2.42 H new ATOM 0 HA VAL A 107 5.793 0.360 -11.679 1.00 65.43 H new ATOM 0 HB VAL A 107 6.193 -0.052 -9.271 1.00 60.02 H new ATOM 0 HG11 VAL A 107 5.211 -2.003 -8.116 1.00 43.13 H new ATOM 0 HG12 VAL A 107 3.999 -0.765 -8.522 1.00 43.13 H new ATOM 0 HG13 VAL A 107 4.114 -2.251 -9.495 1.00 43.13 H new ATOM 0 HG21 VAL A 107 7.234 -2.297 -9.493 1.00 44.40 H new ATOM 0 HG22 VAL A 107 6.318 -2.556 -10.996 1.00 44.40 H new ATOM 0 HG23 VAL A 107 7.538 -1.264 -10.910 1.00 44.40 H new ATOM 1843 N THR A 108 4.923 -1.786 -12.849 1.00 64.02 N ATOM 1844 CA THR A 108 4.386 -2.908 -13.648 1.00 32.42 C ATOM 1845 C THR A 108 5.229 -4.179 -13.434 1.00 22.42 C ATOM 1846 O THR A 108 4.718 -5.297 -13.540 1.00 70.33 O ATOM 1847 CB THR A 108 4.383 -2.553 -15.171 1.00 41.50 C ATOM 1848 OG1 THR A 108 5.693 -2.095 -15.556 1.00 43.32 O ATOM 1849 CG2 THR A 108 3.357 -1.469 -15.517 1.00 4.41 C ATOM 0 H THR A 108 5.905 -1.589 -13.043 1.00 64.02 H new ATOM 0 HA THR A 108 3.363 -3.089 -13.317 1.00 32.42 H new ATOM 0 HB THR A 108 4.109 -3.457 -15.715 1.00 41.50 H new ATOM 0 HG1 THR A 108 5.695 -1.873 -16.511 1.00 43.32 H new ATOM 0 HG21 THR A 108 3.395 -1.260 -16.586 1.00 4.41 H new ATOM 0 HG22 THR A 108 2.358 -1.815 -15.251 1.00 4.41 H new ATOM 0 HG23 THR A 108 3.586 -0.560 -14.961 1.00 4.41 H new ATOM 1857 N ASP A 109 6.529 -3.986 -13.144 1.00 35.41 N ATOM 1858 CA ASP A 109 7.520 -5.075 -13.087 1.00 42.52 C ATOM 1859 C ASP A 109 7.585 -5.714 -11.690 1.00 74.12 C ATOM 1860 O ASP A 109 7.455 -5.030 -10.664 1.00 72.23 O ATOM 1861 CB ASP A 109 8.920 -4.546 -13.479 1.00 21.01 C ATOM 1862 CG ASP A 109 8.971 -3.946 -14.890 1.00 60.12 C ATOM 1863 OD1 ASP A 109 8.553 -2.782 -15.069 1.00 11.14 O ATOM 1864 OD2 ASP A 109 9.432 -4.628 -15.828 1.00 33.21 O ATOM 0 H ASP A 109 6.922 -3.067 -12.942 1.00 35.41 H new ATOM 0 HA ASP A 109 7.204 -5.840 -13.796 1.00 42.52 H new ATOM 0 HB2 ASP A 109 9.229 -3.789 -12.759 1.00 21.01 H new ATOM 0 HB3 ASP A 109 9.640 -5.362 -13.413 1.00 21.01 H new ATOM 1869 N ASP A 110 7.828 -7.031 -11.690 1.00 11.55 N ATOM 1870 CA ASP A 110 7.937 -7.872 -10.486 1.00 74.42 C ATOM 1871 C ASP A 110 9.100 -7.439 -9.567 1.00 40.24 C ATOM 1872 O ASP A 110 8.909 -7.206 -8.366 1.00 72.41 O ATOM 1873 CB ASP A 110 8.083 -9.355 -10.950 1.00 51.41 C ATOM 1874 CG ASP A 110 8.647 -10.318 -9.896 1.00 11.23 C ATOM 1875 OD1 ASP A 110 7.903 -10.746 -8.986 1.00 10.11 O ATOM 1876 OD2 ASP A 110 9.844 -10.678 -9.988 1.00 50.45 O ATOM 0 H ASP A 110 7.958 -7.559 -12.553 1.00 11.55 H new ATOM 0 HA ASP A 110 7.038 -7.757 -9.881 1.00 74.42 H new ATOM 0 HB2 ASP A 110 7.105 -9.718 -11.264 1.00 51.41 H new ATOM 0 HB3 ASP A 110 8.730 -9.382 -11.827 1.00 51.41 H new ATOM 1881 N GLU A 111 10.293 -7.315 -10.149 1.00 64.11 N ATOM 1882 CA GLU A 111 11.508 -6.951 -9.407 1.00 71.14 C ATOM 1883 C GLU A 111 11.467 -5.485 -8.975 1.00 10.44 C ATOM 1884 O GLU A 111 11.882 -5.153 -7.860 1.00 53.01 O ATOM 1885 CB GLU A 111 12.759 -7.238 -10.269 1.00 64.43 C ATOM 1886 CG GLU A 111 13.033 -8.740 -10.504 1.00 4.22 C ATOM 1887 CD GLU A 111 13.452 -9.489 -9.221 1.00 33.13 C ATOM 1888 OE1 GLU A 111 12.578 -9.988 -8.484 1.00 32.44 O ATOM 1889 OE2 GLU A 111 14.669 -9.572 -8.945 1.00 53.30 O ATOM 0 H GLU A 111 10.448 -7.463 -11.146 1.00 64.11 H new ATOM 0 HA GLU A 111 11.560 -7.559 -8.504 1.00 71.14 H new ATOM 0 HB2 GLU A 111 12.642 -6.746 -11.234 1.00 64.43 H new ATOM 0 HB3 GLU A 111 13.629 -6.792 -9.787 1.00 64.43 H new ATOM 0 HG2 GLU A 111 12.137 -9.207 -10.913 1.00 4.22 H new ATOM 0 HG3 GLU A 111 13.818 -8.847 -11.252 1.00 4.22 H new ATOM 1896 N GLU A 112 10.927 -4.619 -9.852 1.00 1.45 N ATOM 1897 CA GLU A 112 10.850 -3.177 -9.595 1.00 34.14 C ATOM 1898 C GLU A 112 9.909 -2.882 -8.411 1.00 4.33 C ATOM 1899 O GLU A 112 10.155 -1.949 -7.648 1.00 2.33 O ATOM 1900 CB GLU A 112 10.393 -2.432 -10.865 1.00 2.44 C ATOM 1901 CG GLU A 112 10.414 -0.889 -10.770 1.00 3.23 C ATOM 1902 CD GLU A 112 11.813 -0.323 -10.470 1.00 63.52 C ATOM 1903 OE1 GLU A 112 12.659 -0.309 -11.388 1.00 52.33 O ATOM 1904 OE2 GLU A 112 12.078 0.110 -9.325 1.00 70.11 O ATOM 0 H GLU A 112 10.536 -4.900 -10.751 1.00 1.45 H new ATOM 0 HA GLU A 112 11.844 -2.818 -9.327 1.00 34.14 H new ATOM 0 HB2 GLU A 112 11.031 -2.737 -11.695 1.00 2.44 H new ATOM 0 HB3 GLU A 112 9.379 -2.751 -11.108 1.00 2.44 H new ATOM 0 HG2 GLU A 112 10.051 -0.468 -11.708 1.00 3.23 H new ATOM 0 HG3 GLU A 112 9.724 -0.569 -9.989 1.00 3.23 H new ATOM 1911 N ALA A 113 8.850 -3.706 -8.262 1.00 44.04 N ATOM 1912 CA ALA A 113 7.918 -3.600 -7.130 1.00 23.53 C ATOM 1913 C ALA A 113 8.661 -3.743 -5.788 1.00 63.23 C ATOM 1914 O ALA A 113 8.487 -2.907 -4.904 1.00 23.05 O ATOM 1915 CB ALA A 113 6.804 -4.641 -7.244 1.00 22.22 C ATOM 0 H ALA A 113 8.623 -4.454 -8.917 1.00 44.04 H new ATOM 0 HA ALA A 113 7.464 -2.610 -7.161 1.00 23.53 H new ATOM 0 HB1 ALA A 113 6.127 -4.543 -6.396 1.00 22.22 H new ATOM 0 HB2 ALA A 113 6.251 -4.482 -8.170 1.00 22.22 H new ATOM 0 HB3 ALA A 113 7.239 -5.640 -7.248 1.00 22.22 H new ATOM 1921 N LEU A 114 9.536 -4.774 -5.696 1.00 22.34 N ATOM 1922 CA LEU A 114 10.344 -5.056 -4.482 1.00 61.31 C ATOM 1923 C LEU A 114 11.240 -3.847 -4.129 1.00 45.44 C ATOM 1924 O LEU A 114 11.403 -3.492 -2.954 1.00 44.23 O ATOM 1925 CB LEU A 114 11.255 -6.301 -4.692 1.00 13.21 C ATOM 1926 CG LEU A 114 10.579 -7.607 -5.207 1.00 54.51 C ATOM 1927 CD1 LEU A 114 11.631 -8.726 -5.377 1.00 5.02 C ATOM 1928 CD2 LEU A 114 9.425 -8.052 -4.283 1.00 72.40 C ATOM 0 H LEU A 114 9.702 -5.432 -6.458 1.00 22.34 H new ATOM 0 HA LEU A 114 9.646 -5.250 -3.668 1.00 61.31 H new ATOM 0 HB2 LEU A 114 12.041 -6.028 -5.397 1.00 13.21 H new ATOM 0 HB3 LEU A 114 11.742 -6.526 -3.743 1.00 13.21 H new ATOM 0 HG LEU A 114 10.141 -7.399 -6.183 1.00 54.51 H new ATOM 0 HD11 LEU A 114 11.144 -9.632 -5.737 1.00 5.02 H new ATOM 0 HD12 LEU A 114 12.386 -8.409 -6.097 1.00 5.02 H new ATOM 0 HD13 LEU A 114 12.107 -8.927 -4.417 1.00 5.02 H new ATOM 0 HD21 LEU A 114 8.978 -8.966 -4.674 1.00 72.40 H new ATOM 0 HD22 LEU A 114 9.812 -8.237 -3.281 1.00 72.40 H new ATOM 0 HD23 LEU A 114 8.669 -7.267 -4.241 1.00 72.40 H new ATOM 1940 N LYS A 115 11.795 -3.226 -5.191 1.00 43.54 N ATOM 1941 CA LYS A 115 12.719 -2.088 -5.085 1.00 53.53 C ATOM 1942 C LYS A 115 11.999 -0.855 -4.518 1.00 41.43 C ATOM 1943 O LYS A 115 12.517 -0.206 -3.619 1.00 34.51 O ATOM 1944 CB LYS A 115 13.345 -1.768 -6.469 1.00 65.22 C ATOM 1945 CG LYS A 115 14.141 -2.942 -7.084 1.00 21.23 C ATOM 1946 CD LYS A 115 14.604 -2.658 -8.531 1.00 71.34 C ATOM 1947 CE LYS A 115 15.248 -3.885 -9.202 1.00 14.42 C ATOM 1948 NZ LYS A 115 16.457 -4.367 -8.480 1.00 34.25 N ATOM 0 H LYS A 115 11.609 -3.507 -6.154 1.00 43.54 H new ATOM 0 HA LYS A 115 13.521 -2.359 -4.398 1.00 53.53 H new ATOM 0 HB2 LYS A 115 12.551 -1.480 -7.158 1.00 65.22 H new ATOM 0 HB3 LYS A 115 14.006 -0.908 -6.367 1.00 65.22 H new ATOM 0 HG2 LYS A 115 15.012 -3.149 -6.463 1.00 21.23 H new ATOM 0 HG3 LYS A 115 13.522 -3.839 -7.075 1.00 21.23 H new ATOM 0 HD2 LYS A 115 13.749 -2.332 -9.124 1.00 71.34 H new ATOM 0 HD3 LYS A 115 15.320 -1.836 -8.524 1.00 71.34 H new ATOM 0 HE2 LYS A 115 14.516 -4.691 -9.255 1.00 14.42 H new ATOM 0 HE3 LYS A 115 15.519 -3.633 -10.227 1.00 14.42 H new ATOM 0 HZ1 LYS A 115 16.850 -5.193 -8.974 1.00 34.25 H new ATOM 0 HZ2 LYS A 115 17.169 -3.610 -8.451 1.00 34.25 H new ATOM 0 HZ3 LYS A 115 16.198 -4.635 -7.509 1.00 34.25 H new ATOM 1962 N ILE A 116 10.787 -0.563 -5.020 1.00 3.12 N ATOM 1963 CA ILE A 116 10.006 0.598 -4.552 1.00 53.52 C ATOM 1964 C ILE A 116 9.557 0.406 -3.078 1.00 2.15 C ATOM 1965 O ILE A 116 9.494 1.375 -2.315 1.00 10.53 O ATOM 1966 CB ILE A 116 8.762 0.886 -5.470 1.00 22.05 C ATOM 1967 CG1 ILE A 116 9.174 1.073 -6.972 1.00 10.23 C ATOM 1968 CG2 ILE A 116 7.991 2.124 -4.969 1.00 41.34 C ATOM 1969 CD1 ILE A 116 10.083 2.267 -7.265 1.00 74.12 C ATOM 0 H ILE A 116 10.327 -1.111 -5.747 1.00 3.12 H new ATOM 0 HA ILE A 116 10.663 1.466 -4.610 1.00 53.52 H new ATOM 0 HB ILE A 116 8.109 0.015 -5.412 1.00 22.05 H new ATOM 0 HG12 ILE A 116 9.677 0.166 -7.308 1.00 10.23 H new ATOM 0 HG13 ILE A 116 8.267 1.175 -7.569 1.00 10.23 H new ATOM 0 HG21 ILE A 116 7.134 2.306 -5.618 1.00 41.34 H new ATOM 0 HG22 ILE A 116 7.644 1.949 -3.950 1.00 41.34 H new ATOM 0 HG23 ILE A 116 8.649 2.993 -4.984 1.00 41.34 H new ATOM 0 HD11 ILE A 116 10.305 2.302 -8.331 1.00 74.12 H new ATOM 0 HD12 ILE A 116 9.581 3.188 -6.969 1.00 74.12 H new ATOM 0 HD13 ILE A 116 11.012 2.164 -6.704 1.00 74.12 H new ATOM 1981 N VAL A 117 9.278 -0.853 -2.686 1.00 45.10 N ATOM 1982 CA VAL A 117 8.895 -1.194 -1.299 1.00 55.32 C ATOM 1983 C VAL A 117 10.079 -0.962 -0.335 1.00 42.32 C ATOM 1984 O VAL A 117 9.897 -0.375 0.736 1.00 40.32 O ATOM 1985 CB VAL A 117 8.390 -2.679 -1.181 1.00 1.22 C ATOM 1986 CG1 VAL A 117 8.039 -3.053 0.275 1.00 75.14 C ATOM 1987 CG2 VAL A 117 7.179 -2.935 -2.096 1.00 51.40 C ATOM 0 H VAL A 117 9.311 -1.656 -3.314 1.00 45.10 H new ATOM 0 HA VAL A 117 8.072 -0.536 -1.020 1.00 55.32 H new ATOM 0 HB VAL A 117 9.213 -3.315 -1.506 1.00 1.22 H new ATOM 0 HG11 VAL A 117 7.695 -4.086 0.312 1.00 75.14 H new ATOM 0 HG12 VAL A 117 8.923 -2.942 0.902 1.00 75.14 H new ATOM 0 HG13 VAL A 117 7.251 -2.394 0.640 1.00 75.14 H new ATOM 0 HG21 VAL A 117 6.855 -3.970 -1.990 1.00 51.40 H new ATOM 0 HG22 VAL A 117 6.363 -2.269 -1.815 1.00 51.40 H new ATOM 0 HG23 VAL A 117 7.460 -2.747 -3.132 1.00 51.40 H new ATOM 1997 N ARG A 118 11.296 -1.402 -0.737 1.00 2.41 N ATOM 1998 CA ARG A 118 12.506 -1.255 0.104 1.00 71.43 C ATOM 1999 C ARG A 118 12.917 0.224 0.200 1.00 61.43 C ATOM 2000 O ARG A 118 13.542 0.639 1.185 1.00 31.03 O ATOM 2001 CB ARG A 118 13.677 -2.148 -0.393 1.00 2.20 C ATOM 2002 CG ARG A 118 14.414 -1.648 -1.648 1.00 35.45 C ATOM 2003 CD ARG A 118 15.628 -2.513 -2.006 1.00 32.14 C ATOM 2004 NE ARG A 118 16.608 -2.568 -0.902 1.00 50.23 N ATOM 2005 CZ ARG A 118 17.836 -2.025 -0.921 1.00 3.31 C ATOM 2006 NH1 ARG A 118 18.279 -1.372 -2.000 1.00 3.53 N ATOM 2007 NH2 ARG A 118 18.614 -2.133 0.143 1.00 73.34 N ATOM 0 H ARG A 118 11.464 -1.859 -1.633 1.00 2.41 H new ATOM 0 HA ARG A 118 12.259 -1.605 1.106 1.00 71.43 H new ATOM 0 HB2 ARG A 118 14.401 -2.248 0.415 1.00 2.20 H new ATOM 0 HB3 ARG A 118 13.287 -3.145 -0.597 1.00 2.20 H new ATOM 0 HG2 ARG A 118 13.722 -1.635 -2.490 1.00 35.45 H new ATOM 0 HG3 ARG A 118 14.740 -0.620 -1.487 1.00 35.45 H new ATOM 0 HD2 ARG A 118 15.296 -3.523 -2.248 1.00 32.14 H new ATOM 0 HD3 ARG A 118 16.109 -2.113 -2.899 1.00 32.14 H new ATOM 0 HE ARG A 118 16.328 -3.060 -0.053 1.00 50.23 H new ATOM 0 HH11 ARG A 118 17.682 -1.281 -2.822 1.00 3.53 H new ATOM 0 HH12 ARG A 118 19.214 -0.964 -2.001 1.00 3.53 H new ATOM 0 HH21 ARG A 118 18.280 -2.626 0.971 1.00 73.34 H new ATOM 0 HH22 ARG A 118 19.548 -1.723 0.136 1.00 73.34 H new ATOM 2021 N GLU A 119 12.539 1.016 -0.830 1.00 34.54 N ATOM 2022 CA GLU A 119 12.661 2.477 -0.793 1.00 72.24 C ATOM 2023 C GLU A 119 11.724 3.048 0.283 1.00 15.32 C ATOM 2024 O GLU A 119 12.172 3.757 1.175 1.00 61.50 O ATOM 2025 CB GLU A 119 12.345 3.096 -2.184 1.00 33.44 C ATOM 2026 CG GLU A 119 13.377 2.778 -3.285 1.00 33.15 C ATOM 2027 CD GLU A 119 14.802 3.254 -2.944 1.00 11.02 C ATOM 2028 OE1 GLU A 119 15.089 4.464 -3.102 1.00 74.43 O ATOM 2029 OE2 GLU A 119 15.635 2.429 -2.498 1.00 2.15 O ATOM 0 H GLU A 119 12.145 0.656 -1.699 1.00 34.54 H new ATOM 0 HA GLU A 119 13.689 2.737 -0.541 1.00 72.24 H new ATOM 0 HB2 GLU A 119 11.367 2.742 -2.510 1.00 33.44 H new ATOM 0 HB3 GLU A 119 12.272 4.178 -2.076 1.00 33.44 H new ATOM 0 HG2 GLU A 119 13.393 1.702 -3.458 1.00 33.15 H new ATOM 0 HG3 GLU A 119 13.059 3.246 -4.217 1.00 33.15 H new ATOM 2036 N PHE A 120 10.429 2.682 0.195 1.00 0.41 N ATOM 2037 CA PHE A 120 9.365 3.146 1.114 1.00 54.22 C ATOM 2038 C PHE A 120 9.673 2.850 2.596 1.00 32.35 C ATOM 2039 O PHE A 120 9.382 3.679 3.459 1.00 41.11 O ATOM 2040 CB PHE A 120 8.000 2.506 0.716 1.00 75.41 C ATOM 2041 CG PHE A 120 7.311 3.113 -0.513 1.00 1.31 C ATOM 2042 CD1 PHE A 120 7.679 4.370 -1.024 1.00 23.41 C ATOM 2043 CD2 PHE A 120 6.255 2.441 -1.133 1.00 50.22 C ATOM 2044 CE1 PHE A 120 7.015 4.919 -2.102 1.00 61.40 C ATOM 2045 CE2 PHE A 120 5.592 3.000 -2.205 1.00 10.25 C ATOM 2046 CZ PHE A 120 5.972 4.234 -2.690 1.00 3.20 C ATOM 0 H PHE A 120 10.086 2.047 -0.526 1.00 0.41 H new ATOM 0 HA PHE A 120 9.314 4.230 1.013 1.00 54.22 H new ATOM 0 HB2 PHE A 120 8.158 1.443 0.532 1.00 75.41 H new ATOM 0 HB3 PHE A 120 7.322 2.585 1.565 1.00 75.41 H new ATOM 0 HD1 PHE A 120 8.493 4.913 -0.567 1.00 23.41 H new ATOM 0 HD2 PHE A 120 5.954 1.470 -0.768 1.00 50.22 H new ATOM 0 HE1 PHE A 120 7.312 5.884 -2.485 1.00 61.40 H new ATOM 0 HE2 PHE A 120 4.772 2.470 -2.667 1.00 10.25 H new ATOM 0 HZ PHE A 120 5.452 4.665 -3.532 1.00 3.20 H new ATOM 2056 N MET A 121 10.237 1.662 2.868 1.00 1.43 N ATOM 2057 CA MET A 121 10.613 1.241 4.233 1.00 3.24 C ATOM 2058 C MET A 121 11.823 2.034 4.770 1.00 61.42 C ATOM 2059 O MET A 121 11.916 2.282 5.976 1.00 43.34 O ATOM 2060 CB MET A 121 10.901 -0.281 4.269 1.00 42.01 C ATOM 2061 CG MET A 121 9.673 -1.160 3.977 1.00 51.22 C ATOM 2062 SD MET A 121 10.015 -2.922 4.181 1.00 43.40 S ATOM 2063 CE MET A 121 11.143 -3.259 2.829 1.00 22.32 C ATOM 0 H MET A 121 10.446 0.966 2.152 1.00 1.43 H new ATOM 0 HA MET A 121 9.768 1.458 4.886 1.00 3.24 H new ATOM 0 HB2 MET A 121 11.679 -0.510 3.541 1.00 42.01 H new ATOM 0 HB3 MET A 121 11.296 -0.542 5.251 1.00 42.01 H new ATOM 0 HG2 MET A 121 8.859 -0.872 4.642 1.00 51.22 H new ATOM 0 HG3 MET A 121 9.333 -0.975 2.958 1.00 51.22 H new ATOM 0 HE1 MET A 121 11.260 -4.336 2.713 1.00 22.32 H new ATOM 0 HE2 MET A 121 10.743 -2.836 1.907 1.00 22.32 H new ATOM 0 HE3 MET A 121 12.113 -2.809 3.043 1.00 22.32 H new ATOM 2073 N GLN A 122 12.746 2.409 3.866 1.00 14.02 N ATOM 2074 CA GLN A 122 13.937 3.217 4.206 1.00 0.42 C ATOM 2075 C GLN A 122 13.541 4.690 4.474 1.00 33.32 C ATOM 2076 O GLN A 122 14.070 5.324 5.393 1.00 74.53 O ATOM 2077 CB GLN A 122 14.970 3.123 3.055 1.00 53.20 C ATOM 2078 CG GLN A 122 16.299 3.875 3.296 1.00 22.24 C ATOM 2079 CD GLN A 122 17.256 3.797 2.103 1.00 2.32 C ATOM 2080 OE1 GLN A 122 16.827 3.687 0.956 1.00 33.14 O ATOM 2081 NE2 GLN A 122 18.554 3.884 2.352 1.00 40.13 N ATOM 0 H GLN A 122 12.689 2.162 2.878 1.00 14.02 H new ATOM 0 HA GLN A 122 14.387 2.825 5.118 1.00 0.42 H new ATOM 0 HB2 GLN A 122 15.194 2.072 2.875 1.00 53.20 H new ATOM 0 HB3 GLN A 122 14.512 3.511 2.145 1.00 53.20 H new ATOM 0 HG2 GLN A 122 16.084 4.921 3.514 1.00 22.24 H new ATOM 0 HG3 GLN A 122 16.790 3.460 4.176 1.00 22.24 H new ATOM 0 HE21 GLN A 122 18.884 3.975 3.313 1.00 40.13 H new ATOM 0 HE22 GLN A 122 19.224 3.860 1.583 1.00 40.13 H new ATOM 2090 N LYS A 123 12.588 5.206 3.668 1.00 71.31 N ATOM 2091 CA LYS A 123 12.051 6.576 3.808 1.00 43.34 C ATOM 2092 C LYS A 123 11.235 6.684 5.104 1.00 53.44 C ATOM 2093 O LYS A 123 11.317 7.686 5.825 1.00 33.15 O ATOM 2094 CB LYS A 123 11.166 6.929 2.580 1.00 13.20 C ATOM 2095 CG LYS A 123 11.908 6.862 1.228 1.00 75.34 C ATOM 2096 CD LYS A 123 10.969 7.052 0.013 1.00 12.11 C ATOM 2097 CE LYS A 123 11.682 6.777 -1.323 1.00 52.34 C ATOM 2098 NZ LYS A 123 12.901 7.613 -1.503 1.00 32.11 N ATOM 0 H LYS A 123 12.169 4.682 2.900 1.00 71.31 H new ATOM 0 HA LYS A 123 12.879 7.283 3.854 1.00 43.34 H new ATOM 0 HB2 LYS A 123 10.316 6.247 2.550 1.00 13.20 H new ATOM 0 HB3 LYS A 123 10.764 7.933 2.712 1.00 13.20 H new ATOM 0 HG2 LYS A 123 12.682 7.630 1.206 1.00 75.34 H new ATOM 0 HG3 LYS A 123 12.412 5.899 1.144 1.00 75.34 H new ATOM 0 HD2 LYS A 123 10.113 6.384 0.110 1.00 12.11 H new ATOM 0 HD3 LYS A 123 10.580 8.070 0.012 1.00 12.11 H new ATOM 0 HE2 LYS A 123 11.957 5.724 -1.374 1.00 52.34 H new ATOM 0 HE3 LYS A 123 10.991 6.966 -2.145 1.00 52.34 H new ATOM 0 HZ1 LYS A 123 13.305 7.439 -2.445 1.00 32.11 H new ATOM 0 HZ2 LYS A 123 12.649 8.618 -1.415 1.00 32.11 H new ATOM 0 HZ3 LYS A 123 13.602 7.367 -0.775 1.00 32.11 H new ATOM 2112 N ALA A 124 10.444 5.625 5.370 1.00 0.20 N ATOM 2113 CA ALA A 124 9.729 5.444 6.636 1.00 72.33 C ATOM 2114 C ALA A 124 10.716 5.453 7.809 1.00 74.41 C ATOM 2115 O ALA A 124 10.509 6.155 8.800 1.00 63.23 O ATOM 2116 CB ALA A 124 8.925 4.134 6.618 1.00 11.30 C ATOM 0 H ALA A 124 10.287 4.869 4.703 1.00 0.20 H new ATOM 0 HA ALA A 124 9.032 6.272 6.763 1.00 72.33 H new ATOM 0 HB1 ALA A 124 8.400 4.016 7.566 1.00 11.30 H new ATOM 0 HB2 ALA A 124 8.201 4.163 5.804 1.00 11.30 H new ATOM 0 HB3 ALA A 124 9.603 3.293 6.471 1.00 11.30 H new ATOM 2122 N GLY A 125 11.829 4.713 7.624 1.00 41.13 N ATOM 2123 CA GLY A 125 12.873 4.590 8.636 1.00 61.34 C ATOM 2124 C GLY A 125 13.574 5.906 8.934 1.00 4.31 C ATOM 2125 O GLY A 125 14.005 6.137 10.064 1.00 52.12 O ATOM 0 H GLY A 125 12.019 4.190 6.769 1.00 41.13 H new ATOM 0 HA2 GLY A 125 12.435 4.202 9.556 1.00 61.34 H new ATOM 0 HA3 GLY A 125 13.610 3.860 8.302 1.00 61.34 H new