USER MOD reduce.3.24.130724 H: found=0, std=0, add=888, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 888 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 29 SER OG : rot 180:sc= -0.754 USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ -166:sc= -0.046 (180deg=-0.262) USER MOD Single : A 40 LYS NZ :NH3+ -167:sc= -0.0177 (180deg=-0.182) USER MOD Single : A 41 MET CE :methyl -160:sc= 0 (180deg=-0.286) USER MOD Single : A 44 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0983) USER MOD Single : A 46 ASN : amide:sc= -1.11 K(o=-1.1,f=-0.3) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 78:sc= 0.0453 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ -168:sc= 0.816 (180deg=0.567) USER MOD Single : A 65 SER OG : rot 87:sc= 1.28 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 163:sc= -0.105 (180deg=-0.493) USER MOD Single : A 84 LYS NZ :NH3+ 170:sc= 1.23 (180deg=0.967) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ -167:sc= -1.11! (180deg=-1.76!) USER MOD Single : A 95 LYS NZ :NH3+ 163:sc= -0.0489 (180deg=-0.347) USER MOD Single : A 96 LYS NZ :NH3+ 166:sc= 0.703 (180deg=0.505) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 LYS NZ :NH3+ -171:sc= 1.27 (180deg=1.2) USER MOD Single : A 106 THR OG1 : rot 109:sc= 1.28 USER MOD Single : A 107 SER OG : rot 180:sc= -0.913 USER MOD Single : A 112 LYS NZ :NH3+ 178:sc= 1.19 (180deg=1.12) USER MOD Single : A 116 LYS NZ :NH3+ -118:sc= 0.0459 (180deg=0.0257) USER MOD Single : A 119 SER OG : rot -82:sc= 1.01 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 22 -5.444 13.565 -2.125 1.00 1.16 N ATOM 2 CA GLY A 22 -6.068 12.246 -1.871 1.00 1.05 C ATOM 3 C GLY A 22 -5.267 11.111 -2.475 1.00 0.87 C ATOM 4 O GLY A 22 -5.567 10.647 -3.578 1.00 0.89 O ATOM 0 HA2 GLY A 22 -6.162 12.091 -0.796 1.00 1.05 H new ATOM 0 HA3 GLY A 22 -7.077 12.237 -2.284 1.00 1.05 H new ATOM 7 N LEU A 23 -4.248 10.659 -1.756 1.00 0.75 N ATOM 8 CA LEU A 23 -3.397 9.579 -2.230 1.00 0.62 C ATOM 9 C LEU A 23 -3.025 8.660 -1.068 1.00 0.51 C ATOM 10 O LEU A 23 -2.606 9.134 -0.010 1.00 0.59 O ATOM 11 CB LEU A 23 -2.132 10.154 -2.872 1.00 0.75 C ATOM 12 CG LEU A 23 -1.403 9.214 -3.832 1.00 1.22 C ATOM 13 CD1 LEU A 23 -2.250 8.964 -5.069 1.00 1.78 C ATOM 14 CD2 LEU A 23 -0.053 9.794 -4.221 1.00 1.91 C ATOM 0 H LEU A 23 -3.991 11.026 -0.840 1.00 0.75 H new ATOM 0 HA LEU A 23 -3.940 9.000 -2.977 1.00 0.62 H new ATOM 0 HB2 LEU A 23 -2.399 11.063 -3.412 1.00 0.75 H new ATOM 0 HB3 LEU A 23 -1.442 10.445 -2.080 1.00 0.75 H new ATOM 0 HG LEU A 23 -1.236 8.263 -3.327 1.00 1.22 H new ATOM 0 HD11 LEU A 23 -1.719 8.293 -5.744 1.00 1.78 H new ATOM 0 HD12 LEU A 23 -3.196 8.510 -4.776 1.00 1.78 H new ATOM 0 HD13 LEU A 23 -2.443 9.910 -5.575 1.00 1.78 H new ATOM 0 HD21 LEU A 23 0.453 9.112 -4.905 1.00 1.91 H new ATOM 0 HD22 LEU A 23 -0.198 10.757 -4.710 1.00 1.91 H new ATOM 0 HD23 LEU A 23 0.556 9.929 -3.327 1.00 1.91 H new ATOM 26 N LEU A 24 -3.182 7.355 -1.253 1.00 0.40 N ATOM 27 CA LEU A 24 -2.897 6.405 -0.184 1.00 0.39 C ATOM 28 C LEU A 24 -2.007 5.278 -0.689 1.00 0.38 C ATOM 29 O LEU A 24 -2.142 4.824 -1.827 1.00 0.50 O ATOM 30 CB LEU A 24 -4.202 5.837 0.396 1.00 0.44 C ATOM 31 CG LEU A 24 -4.053 5.035 1.695 1.00 0.50 C ATOM 32 CD1 LEU A 24 -5.279 5.224 2.571 1.00 1.02 C ATOM 33 CD2 LEU A 24 -3.848 3.556 1.404 1.00 1.24 C ATOM 0 H LEU A 24 -3.502 6.933 -2.125 1.00 0.40 H new ATOM 0 HA LEU A 24 -2.367 6.933 0.608 1.00 0.39 H new ATOM 0 HB2 LEU A 24 -4.889 6.664 0.577 1.00 0.44 H new ATOM 0 HB3 LEU A 24 -4.664 5.197 -0.355 1.00 0.44 H new ATOM 0 HG LEU A 24 -3.174 5.406 2.222 1.00 0.50 H new ATOM 0 HD11 LEU A 24 -5.161 4.650 3.490 1.00 1.02 H new ATOM 0 HD12 LEU A 24 -5.393 6.280 2.815 1.00 1.02 H new ATOM 0 HD13 LEU A 24 -6.164 4.878 2.038 1.00 1.02 H new ATOM 0 HD21 LEU A 24 -3.745 3.011 2.343 1.00 1.24 H new ATOM 0 HD22 LEU A 24 -4.706 3.171 0.853 1.00 1.24 H new ATOM 0 HD23 LEU A 24 -2.945 3.424 0.807 1.00 1.24 H new ATOM 45 N VAL A 25 -1.099 4.832 0.168 1.00 0.37 N ATOM 46 CA VAL A 25 -0.181 3.757 -0.169 1.00 0.40 C ATOM 47 C VAL A 25 -0.068 2.781 0.998 1.00 0.42 C ATOM 48 O VAL A 25 -0.299 3.152 2.142 1.00 0.56 O ATOM 49 CB VAL A 25 1.232 4.294 -0.511 1.00 0.49 C ATOM 50 CG1 VAL A 25 1.194 5.227 -1.714 1.00 0.95 C ATOM 51 CG2 VAL A 25 1.844 5.005 0.687 1.00 0.84 C ATOM 0 H VAL A 25 -0.980 5.204 1.110 1.00 0.37 H new ATOM 0 HA VAL A 25 -0.582 3.252 -1.048 1.00 0.40 H new ATOM 0 HB VAL A 25 1.856 3.437 -0.766 1.00 0.49 H new ATOM 0 HG11 VAL A 25 2.201 5.586 -1.928 1.00 0.95 H new ATOM 0 HG12 VAL A 25 0.809 4.688 -2.580 1.00 0.95 H new ATOM 0 HG13 VAL A 25 0.545 6.075 -1.496 1.00 0.95 H new ATOM 0 HG21 VAL A 25 2.835 5.374 0.424 1.00 0.84 H new ATOM 0 HG22 VAL A 25 1.210 5.843 0.975 1.00 0.84 H new ATOM 0 HG23 VAL A 25 1.926 4.308 1.521 1.00 0.84 H new ATOM 61 N LEU A 26 0.257 1.536 0.712 1.00 0.46 N ATOM 62 CA LEU A 26 0.540 0.568 1.762 1.00 0.57 C ATOM 63 C LEU A 26 1.423 -0.549 1.220 1.00 0.51 C ATOM 64 O LEU A 26 1.450 -0.802 0.015 1.00 0.58 O ATOM 65 CB LEU A 26 -0.752 -0.018 2.366 1.00 0.75 C ATOM 66 CG LEU A 26 -1.652 -0.784 1.395 1.00 0.74 C ATOM 67 CD1 LEU A 26 -2.496 -1.801 2.147 1.00 1.17 C ATOM 68 CD2 LEU A 26 -2.556 0.159 0.612 1.00 1.00 C ATOM 0 H LEU A 26 0.333 1.168 -0.236 1.00 0.46 H new ATOM 0 HA LEU A 26 1.067 1.090 2.560 1.00 0.57 H new ATOM 0 HB2 LEU A 26 -0.479 -0.686 3.183 1.00 0.75 H new ATOM 0 HB3 LEU A 26 -1.330 0.797 2.801 1.00 0.75 H new ATOM 0 HG LEU A 26 -1.007 -1.304 0.686 1.00 0.74 H new ATOM 0 HD11 LEU A 26 -3.131 -2.338 1.443 1.00 1.17 H new ATOM 0 HD12 LEU A 26 -1.843 -2.508 2.659 1.00 1.17 H new ATOM 0 HD13 LEU A 26 -3.119 -1.287 2.879 1.00 1.17 H new ATOM 0 HD21 LEU A 26 -3.182 -0.418 -0.068 1.00 1.00 H new ATOM 0 HD22 LEU A 26 -3.189 0.715 1.304 1.00 1.00 H new ATOM 0 HD23 LEU A 26 -1.945 0.857 0.039 1.00 1.00 H new ATOM 80 N ILE A 27 2.143 -1.214 2.109 1.00 0.50 N ATOM 81 CA ILE A 27 3.081 -2.250 1.709 1.00 0.49 C ATOM 82 C ILE A 27 3.050 -3.423 2.683 1.00 0.51 C ATOM 83 O ILE A 27 3.217 -3.252 3.893 1.00 0.72 O ATOM 84 CB ILE A 27 4.526 -1.690 1.596 1.00 0.59 C ATOM 85 CG1 ILE A 27 5.526 -2.827 1.346 1.00 0.87 C ATOM 86 CG2 ILE A 27 4.906 -0.901 2.843 1.00 1.00 C ATOM 87 CD1 ILE A 27 6.959 -2.362 1.211 1.00 0.96 C ATOM 0 H ILE A 27 2.095 -1.054 3.115 1.00 0.50 H new ATOM 0 HA ILE A 27 2.772 -2.605 0.726 1.00 0.49 H new ATOM 0 HB ILE A 27 4.560 -1.009 0.746 1.00 0.59 H new ATOM 0 HG12 ILE A 27 5.462 -3.542 2.167 1.00 0.87 H new ATOM 0 HG13 ILE A 27 5.239 -3.357 0.438 1.00 0.87 H new ATOM 0 HG21 ILE A 27 5.922 -0.521 2.737 1.00 1.00 H new ATOM 0 HG22 ILE A 27 4.217 -0.066 2.969 1.00 1.00 H new ATOM 0 HG23 ILE A 27 4.851 -1.552 3.716 1.00 1.00 H new ATOM 0 HD11 ILE A 27 7.606 -3.222 1.036 1.00 0.96 H new ATOM 0 HD12 ILE A 27 7.040 -1.671 0.372 1.00 0.96 H new ATOM 0 HD13 ILE A 27 7.266 -1.858 2.127 1.00 0.96 H new ATOM 99 N TRP A 28 2.817 -4.614 2.157 1.00 0.45 N ATOM 100 CA TRP A 28 2.826 -5.808 2.975 1.00 0.48 C ATOM 101 C TRP A 28 4.038 -6.662 2.630 1.00 0.48 C ATOM 102 O TRP A 28 4.053 -7.382 1.630 1.00 0.49 O ATOM 103 CB TRP A 28 1.535 -6.612 2.794 1.00 0.56 C ATOM 104 CG TRP A 28 1.374 -7.699 3.817 1.00 0.89 C ATOM 105 CD1 TRP A 28 0.843 -7.568 5.068 1.00 1.53 C ATOM 106 CD2 TRP A 28 1.755 -9.073 3.685 1.00 1.15 C ATOM 107 NE1 TRP A 28 0.874 -8.775 5.721 1.00 2.09 N ATOM 108 CE2 TRP A 28 1.428 -9.716 4.894 1.00 1.83 C ATOM 109 CE3 TRP A 28 2.342 -9.823 2.661 1.00 1.19 C ATOM 110 CZ2 TRP A 28 1.670 -11.071 5.104 1.00 2.26 C ATOM 111 CZ3 TRP A 28 2.581 -11.165 2.871 1.00 1.61 C ATOM 112 CH2 TRP A 28 2.244 -11.779 4.084 1.00 2.06 C ATOM 0 H TRP A 28 2.620 -4.776 1.169 1.00 0.45 H new ATOM 0 HA TRP A 28 2.887 -5.508 4.021 1.00 0.48 H new ATOM 0 HB2 TRP A 28 0.681 -5.937 2.852 1.00 0.56 H new ATOM 0 HB3 TRP A 28 1.525 -7.054 1.798 1.00 0.56 H new ATOM 0 HD1 TRP A 28 0.455 -6.649 5.483 1.00 1.53 H new ATOM 0 HE1 TRP A 28 0.539 -8.944 6.669 1.00 2.09 H new ATOM 0 HE3 TRP A 28 2.604 -9.359 1.721 1.00 1.19 H new ATOM 0 HZ2 TRP A 28 1.414 -11.546 6.039 1.00 2.26 H new ATOM 0 HZ3 TRP A 28 3.036 -11.752 2.087 1.00 1.61 H new ATOM 0 HH2 TRP A 28 2.441 -12.833 4.217 1.00 2.06 H new ATOM 123 N SER A 29 5.067 -6.523 3.440 1.00 0.50 N ATOM 124 CA SER A 29 6.252 -7.351 3.358 1.00 0.54 C ATOM 125 C SER A 29 6.729 -7.632 4.773 1.00 0.60 C ATOM 126 O SER A 29 6.449 -6.843 5.679 1.00 0.87 O ATOM 127 CB SER A 29 7.347 -6.626 2.570 1.00 0.57 C ATOM 128 OG SER A 29 6.850 -6.137 1.337 1.00 1.29 O ATOM 0 H SER A 29 5.104 -5.824 4.182 1.00 0.50 H new ATOM 0 HA SER A 29 6.024 -8.285 2.844 1.00 0.54 H new ATOM 0 HB2 SER A 29 7.738 -5.798 3.162 1.00 0.57 H new ATOM 0 HB3 SER A 29 8.178 -7.307 2.386 1.00 0.57 H new ATOM 0 HG SER A 29 7.568 -5.677 0.854 1.00 1.29 H new ATOM 134 N ASN A 30 7.427 -8.733 4.987 1.00 0.65 N ATOM 135 CA ASN A 30 8.013 -8.967 6.297 1.00 0.69 C ATOM 136 C ASN A 30 9.526 -8.982 6.192 1.00 0.68 C ATOM 137 O ASN A 30 10.171 -10.028 6.287 1.00 0.75 O ATOM 138 CB ASN A 30 7.505 -10.279 6.906 1.00 0.81 C ATOM 139 CG ASN A 30 6.058 -10.202 7.360 1.00 1.55 C ATOM 140 OD1 ASN A 30 5.768 -9.805 8.490 1.00 2.33 O ATOM 141 ND2 ASN A 30 5.137 -10.594 6.494 1.00 2.23 N ATOM 0 H ASN A 30 7.600 -9.461 4.294 1.00 0.65 H new ATOM 0 HA ASN A 30 7.710 -8.155 6.957 1.00 0.69 H new ATOM 0 HB2 ASN A 30 7.607 -11.078 6.171 1.00 0.81 H new ATOM 0 HB3 ASN A 30 8.133 -10.546 7.756 1.00 0.81 H new ATOM 0 HD21 ASN A 30 4.151 -10.573 6.754 1.00 2.23 H new ATOM 0 HD22 ASN A 30 5.413 -10.917 5.567 1.00 2.23 H new ATOM 148 N ASP A 31 10.079 -7.802 5.973 1.00 0.63 N ATOM 149 CA ASP A 31 11.513 -7.584 6.036 1.00 0.64 C ATOM 150 C ASP A 31 11.811 -6.593 7.154 1.00 0.65 C ATOM 151 O ASP A 31 10.892 -5.960 7.664 1.00 0.78 O ATOM 152 CB ASP A 31 12.039 -7.079 4.690 1.00 0.67 C ATOM 153 CG ASP A 31 13.551 -6.952 4.637 1.00 0.72 C ATOM 154 OD1 ASP A 31 14.071 -5.856 4.927 1.00 1.45 O ATOM 155 OD2 ASP A 31 14.225 -7.947 4.296 1.00 1.13 O ATOM 0 H ASP A 31 9.543 -6.964 5.745 1.00 0.63 H new ATOM 0 HA ASP A 31 12.021 -8.524 6.250 1.00 0.64 H new ATOM 0 HB2 ASP A 31 11.712 -7.759 3.903 1.00 0.67 H new ATOM 0 HB3 ASP A 31 11.593 -6.107 4.477 1.00 0.67 H new ATOM 160 N LYS A 32 13.062 -6.443 7.538 1.00 0.69 N ATOM 161 CA LYS A 32 13.410 -5.463 8.552 1.00 0.77 C ATOM 162 C LYS A 32 13.515 -4.066 7.934 1.00 0.71 C ATOM 163 O LYS A 32 12.717 -3.168 8.227 1.00 0.77 O ATOM 164 CB LYS A 32 14.729 -5.824 9.250 1.00 0.97 C ATOM 165 CG LYS A 32 14.635 -6.949 10.283 1.00 1.52 C ATOM 166 CD LYS A 32 14.637 -8.341 9.656 1.00 2.06 C ATOM 167 CE LYS A 32 13.231 -8.883 9.447 1.00 2.28 C ATOM 168 NZ LYS A 32 13.248 -10.291 8.965 1.00 3.05 N ATOM 0 H LYS A 32 13.848 -6.979 7.170 1.00 0.69 H new ATOM 0 HA LYS A 32 12.616 -5.466 9.299 1.00 0.77 H new ATOM 0 HB2 LYS A 32 15.457 -6.110 8.490 1.00 0.97 H new ATOM 0 HB3 LYS A 32 15.116 -4.932 9.742 1.00 0.97 H new ATOM 0 HG2 LYS A 32 15.472 -6.868 10.976 1.00 1.52 H new ATOM 0 HG3 LYS A 32 13.724 -6.822 10.868 1.00 1.52 H new ATOM 0 HD2 LYS A 32 15.156 -8.305 8.698 1.00 2.06 H new ATOM 0 HD3 LYS A 32 15.196 -9.024 10.296 1.00 2.06 H new ATOM 0 HE2 LYS A 32 12.676 -8.826 10.384 1.00 2.28 H new ATOM 0 HE3 LYS A 32 12.704 -8.258 8.726 1.00 2.28 H new ATOM 0 HZ1 LYS A 32 12.272 -10.625 8.834 1.00 3.05 H new ATOM 0 HZ2 LYS A 32 13.755 -10.342 8.059 1.00 3.05 H new ATOM 0 HZ3 LYS A 32 13.729 -10.892 9.665 1.00 3.05 H new ATOM 182 N LYS A 33 14.476 -3.910 7.036 1.00 0.71 N ATOM 183 CA LYS A 33 14.824 -2.601 6.504 1.00 0.75 C ATOM 184 C LYS A 33 13.893 -2.192 5.364 1.00 0.64 C ATOM 185 O LYS A 33 13.664 -1.003 5.147 1.00 0.63 O ATOM 186 CB LYS A 33 16.277 -2.607 6.022 1.00 0.94 C ATOM 187 CG LYS A 33 16.821 -1.231 5.677 1.00 1.55 C ATOM 188 CD LYS A 33 16.870 -0.330 6.900 1.00 2.09 C ATOM 189 CE LYS A 33 17.460 1.030 6.571 1.00 2.72 C ATOM 190 NZ LYS A 33 18.871 0.930 6.112 1.00 3.16 N ATOM 0 H LYS A 33 15.031 -4.678 6.659 1.00 0.71 H new ATOM 0 HA LYS A 33 14.708 -1.870 7.304 1.00 0.75 H new ATOM 0 HB2 LYS A 33 16.904 -3.050 6.796 1.00 0.94 H new ATOM 0 HB3 LYS A 33 16.355 -3.248 5.143 1.00 0.94 H new ATOM 0 HG2 LYS A 33 17.821 -1.329 5.255 1.00 1.55 H new ATOM 0 HG3 LYS A 33 16.196 -0.773 4.911 1.00 1.55 H new ATOM 0 HD2 LYS A 33 15.864 -0.203 7.300 1.00 2.09 H new ATOM 0 HD3 LYS A 33 17.465 -0.806 7.679 1.00 2.09 H new ATOM 0 HE2 LYS A 33 16.860 1.507 5.796 1.00 2.72 H new ATOM 0 HE3 LYS A 33 17.410 1.669 7.452 1.00 2.72 H new ATOM 0 HZ1 LYS A 33 19.308 1.874 6.126 1.00 3.16 H new ATOM 0 HZ2 LYS A 33 19.398 0.295 6.745 1.00 3.16 H new ATOM 0 HZ3 LYS A 33 18.895 0.551 5.144 1.00 3.16 H new ATOM 204 N LEU A 34 13.361 -3.179 4.649 1.00 0.62 N ATOM 205 CA LEU A 34 12.469 -2.929 3.513 1.00 0.61 C ATOM 206 C LEU A 34 11.315 -2.022 3.940 1.00 0.54 C ATOM 207 O LEU A 34 11.083 -0.969 3.342 1.00 0.61 O ATOM 208 CB LEU A 34 11.920 -4.270 2.993 1.00 0.66 C ATOM 209 CG LEU A 34 11.482 -4.349 1.516 1.00 0.80 C ATOM 210 CD1 LEU A 34 10.939 -5.739 1.218 1.00 1.22 C ATOM 211 CD2 LEU A 34 10.431 -3.303 1.185 1.00 1.59 C ATOM 0 H LEU A 34 13.532 -4.167 4.835 1.00 0.62 H new ATOM 0 HA LEU A 34 13.026 -2.432 2.719 1.00 0.61 H new ATOM 0 HB2 LEU A 34 12.685 -5.030 3.156 1.00 0.66 H new ATOM 0 HB3 LEU A 34 11.064 -4.542 3.610 1.00 0.66 H new ATOM 0 HG LEU A 34 12.355 -4.151 0.895 1.00 0.80 H new ATOM 0 HD11 LEU A 34 10.630 -5.793 0.174 1.00 1.22 H new ATOM 0 HD12 LEU A 34 11.715 -6.481 1.405 1.00 1.22 H new ATOM 0 HD13 LEU A 34 10.082 -5.940 1.861 1.00 1.22 H new ATOM 0 HD21 LEU A 34 10.148 -3.391 0.136 1.00 1.59 H new ATOM 0 HD22 LEU A 34 9.553 -3.458 1.812 1.00 1.59 H new ATOM 0 HD23 LEU A 34 10.837 -2.308 1.369 1.00 1.59 H new ATOM 223 N ILE A 35 10.616 -2.434 4.990 1.00 0.48 N ATOM 224 CA ILE A 35 9.473 -1.688 5.501 1.00 0.49 C ATOM 225 C ILE A 35 9.895 -0.288 5.929 1.00 0.48 C ATOM 226 O ILE A 35 9.223 0.700 5.623 1.00 0.53 O ATOM 227 CB ILE A 35 8.831 -2.408 6.704 1.00 0.55 C ATOM 228 CG1 ILE A 35 8.458 -3.844 6.329 1.00 0.61 C ATOM 229 CG2 ILE A 35 7.600 -1.648 7.187 1.00 0.64 C ATOM 230 CD1 ILE A 35 7.997 -4.673 7.508 1.00 1.01 C ATOM 0 H ILE A 35 10.823 -3.288 5.508 1.00 0.48 H new ATOM 0 HA ILE A 35 8.742 -1.620 4.695 1.00 0.49 H new ATOM 0 HB ILE A 35 9.558 -2.439 7.516 1.00 0.55 H new ATOM 0 HG12 ILE A 35 7.668 -3.822 5.579 1.00 0.61 H new ATOM 0 HG13 ILE A 35 9.320 -4.327 5.870 1.00 0.61 H new ATOM 0 HG21 ILE A 35 7.160 -2.171 8.036 1.00 0.64 H new ATOM 0 HG22 ILE A 35 7.889 -0.642 7.490 1.00 0.64 H new ATOM 0 HG23 ILE A 35 6.870 -1.588 6.380 1.00 0.64 H new ATOM 0 HD11 ILE A 35 7.749 -5.679 7.170 1.00 1.01 H new ATOM 0 HD12 ILE A 35 8.794 -4.725 8.250 1.00 1.01 H new ATOM 0 HD13 ILE A 35 7.116 -4.212 7.954 1.00 1.01 H new ATOM 242 N GLU A 36 11.024 -0.217 6.623 1.00 0.50 N ATOM 243 CA GLU A 36 11.547 1.048 7.118 1.00 0.53 C ATOM 244 C GLU A 36 11.866 2.011 5.972 1.00 0.48 C ATOM 245 O GLU A 36 11.494 3.182 6.019 1.00 0.51 O ATOM 246 CB GLU A 36 12.790 0.793 7.966 1.00 0.66 C ATOM 247 CG GLU A 36 13.432 2.055 8.507 1.00 1.22 C ATOM 248 CD GLU A 36 14.454 1.758 9.576 1.00 1.73 C ATOM 249 OE1 GLU A 36 15.469 1.108 9.271 1.00 2.62 O ATOM 250 OE2 GLU A 36 14.238 2.169 10.735 1.00 2.01 O ATOM 0 H GLU A 36 11.598 -1.027 6.856 1.00 0.50 H new ATOM 0 HA GLU A 36 10.780 1.518 7.734 1.00 0.53 H new ATOM 0 HB2 GLU A 36 12.522 0.146 8.801 1.00 0.66 H new ATOM 0 HB3 GLU A 36 13.522 0.252 7.367 1.00 0.66 H new ATOM 0 HG2 GLU A 36 13.909 2.597 7.691 1.00 1.22 H new ATOM 0 HG3 GLU A 36 12.660 2.708 8.915 1.00 1.22 H new ATOM 257 N GLU A 37 12.540 1.511 4.947 1.00 0.48 N ATOM 258 CA GLU A 37 12.898 2.325 3.792 1.00 0.51 C ATOM 259 C GLU A 37 11.654 2.802 3.047 1.00 0.44 C ATOM 260 O GLU A 37 11.601 3.938 2.572 1.00 0.48 O ATOM 261 CB GLU A 37 13.799 1.527 2.849 1.00 0.65 C ATOM 262 CG GLU A 37 15.186 1.263 3.411 1.00 0.80 C ATOM 263 CD GLU A 37 16.117 2.453 3.276 1.00 0.91 C ATOM 264 OE1 GLU A 37 17.150 2.322 2.583 1.00 1.61 O ATOM 265 OE2 GLU A 37 15.821 3.526 3.841 1.00 1.55 O ATOM 0 H GLU A 37 12.852 0.541 4.891 1.00 0.48 H new ATOM 0 HA GLU A 37 13.437 3.203 4.149 1.00 0.51 H new ATOM 0 HB2 GLU A 37 13.320 0.574 2.623 1.00 0.65 H new ATOM 0 HB3 GLU A 37 13.895 2.068 1.907 1.00 0.65 H new ATOM 0 HG2 GLU A 37 15.100 0.994 4.464 1.00 0.80 H new ATOM 0 HG3 GLU A 37 15.623 0.407 2.897 1.00 0.80 H new ATOM 272 N ALA A 38 10.658 1.928 2.960 1.00 0.40 N ATOM 273 CA ALA A 38 9.415 2.234 2.265 1.00 0.42 C ATOM 274 C ALA A 38 8.630 3.335 2.975 1.00 0.39 C ATOM 275 O ALA A 38 8.242 4.330 2.359 1.00 0.42 O ATOM 276 CB ALA A 38 8.564 0.979 2.140 1.00 0.50 C ATOM 0 H ALA A 38 10.689 0.993 3.367 1.00 0.40 H new ATOM 0 HA ALA A 38 9.670 2.598 1.269 1.00 0.42 H new ATOM 0 HB1 ALA A 38 7.637 1.218 1.619 1.00 0.50 H new ATOM 0 HB2 ALA A 38 9.111 0.223 1.578 1.00 0.50 H new ATOM 0 HB3 ALA A 38 8.333 0.596 3.134 1.00 0.50 H new ATOM 282 N ARG A 39 8.410 3.162 4.276 1.00 0.41 N ATOM 283 CA ARG A 39 7.612 4.109 5.049 1.00 0.50 C ATOM 284 C ARG A 39 8.242 5.499 5.060 1.00 0.46 C ATOM 285 O ARG A 39 7.534 6.500 5.135 1.00 0.52 O ATOM 286 CB ARG A 39 7.404 3.612 6.484 1.00 0.62 C ATOM 287 CG ARG A 39 8.695 3.381 7.249 1.00 1.18 C ATOM 288 CD ARG A 39 8.426 3.016 8.697 1.00 1.43 C ATOM 289 NE ARG A 39 7.855 4.134 9.441 1.00 1.88 N ATOM 290 CZ ARG A 39 7.137 4.001 10.554 1.00 2.58 C ATOM 291 NH1 ARG A 39 6.882 2.793 11.044 1.00 2.84 N ATOM 292 NH2 ARG A 39 6.675 5.079 11.176 1.00 3.48 N ATOM 0 H ARG A 39 8.773 2.376 4.816 1.00 0.41 H new ATOM 0 HA ARG A 39 6.640 4.182 4.561 1.00 0.50 H new ATOM 0 HB2 ARG A 39 6.798 4.338 7.025 1.00 0.62 H new ATOM 0 HB3 ARG A 39 6.838 2.681 6.457 1.00 0.62 H new ATOM 0 HG2 ARG A 39 9.264 2.584 6.771 1.00 1.18 H new ATOM 0 HG3 ARG A 39 9.310 4.280 7.208 1.00 1.18 H new ATOM 0 HD2 ARG A 39 7.744 2.167 8.737 1.00 1.43 H new ATOM 0 HD3 ARG A 39 9.356 2.701 9.171 1.00 1.43 H new ATOM 0 HE ARG A 39 8.016 5.077 9.086 1.00 1.88 H new ATOM 0 HH11 ARG A 39 7.237 1.964 10.567 1.00 2.84 H new ATOM 0 HH12 ARG A 39 6.332 2.694 11.897 1.00 2.84 H new ATOM 0 HH21 ARG A 39 6.870 6.007 10.801 1.00 3.48 H new ATOM 0 HH22 ARG A 39 6.125 4.979 12.029 1.00 3.48 H new ATOM 306 N LYS A 40 9.565 5.561 4.971 1.00 0.45 N ATOM 307 CA LYS A 40 10.263 6.843 4.949 1.00 0.49 C ATOM 308 C LYS A 40 9.902 7.640 3.703 1.00 0.42 C ATOM 309 O LYS A 40 9.742 8.857 3.758 1.00 0.47 O ATOM 310 CB LYS A 40 11.777 6.640 5.017 1.00 0.62 C ATOM 311 CG LYS A 40 12.264 6.134 6.362 1.00 1.06 C ATOM 312 CD LYS A 40 13.773 5.964 6.376 1.00 1.58 C ATOM 313 CE LYS A 40 14.273 5.510 7.737 1.00 2.12 C ATOM 314 NZ LYS A 40 14.023 6.521 8.796 1.00 2.95 N ATOM 0 H LYS A 40 10.174 4.745 4.913 1.00 0.45 H new ATOM 0 HA LYS A 40 9.945 7.407 5.826 1.00 0.49 H new ATOM 0 HB2 LYS A 40 12.075 5.933 4.243 1.00 0.62 H new ATOM 0 HB3 LYS A 40 12.272 7.585 4.793 1.00 0.62 H new ATOM 0 HG2 LYS A 40 11.968 6.833 7.144 1.00 1.06 H new ATOM 0 HG3 LYS A 40 11.787 5.181 6.588 1.00 1.06 H new ATOM 0 HD2 LYS A 40 14.065 5.236 5.619 1.00 1.58 H new ATOM 0 HD3 LYS A 40 14.248 6.908 6.110 1.00 1.58 H new ATOM 0 HE2 LYS A 40 13.783 4.575 8.008 1.00 2.12 H new ATOM 0 HE3 LYS A 40 15.342 5.305 7.679 1.00 2.12 H new ATOM 0 HZ1 LYS A 40 14.567 6.274 9.647 1.00 2.95 H new ATOM 0 HZ2 LYS A 40 14.318 7.459 8.457 1.00 2.95 H new ATOM 0 HZ3 LYS A 40 13.009 6.539 9.026 1.00 2.95 H new ATOM 328 N MET A 41 9.757 6.946 2.581 1.00 0.39 N ATOM 329 CA MET A 41 9.405 7.599 1.326 1.00 0.41 C ATOM 330 C MET A 41 7.951 8.043 1.344 1.00 0.42 C ATOM 331 O MET A 41 7.590 9.047 0.728 1.00 0.52 O ATOM 332 CB MET A 41 9.662 6.670 0.141 1.00 0.48 C ATOM 333 CG MET A 41 11.135 6.386 -0.091 1.00 0.69 C ATOM 334 SD MET A 41 12.086 7.884 -0.410 1.00 1.10 S ATOM 335 CE MET A 41 13.730 7.201 -0.598 1.00 1.55 C ATOM 0 H MET A 41 9.877 5.935 2.514 1.00 0.39 H new ATOM 0 HA MET A 41 10.036 8.481 1.214 1.00 0.41 H new ATOM 0 HB2 MET A 41 9.139 5.728 0.307 1.00 0.48 H new ATOM 0 HB3 MET A 41 9.239 7.115 -0.759 1.00 0.48 H new ATOM 0 HG2 MET A 41 11.545 5.878 0.782 1.00 0.69 H new ATOM 0 HG3 MET A 41 11.242 5.705 -0.936 1.00 0.69 H new ATOM 0 HE1 MET A 41 14.470 7.987 -0.446 1.00 1.55 H new ATOM 0 HE2 MET A 41 13.882 6.412 0.138 1.00 1.55 H new ATOM 0 HE3 MET A 41 13.840 6.788 -1.601 1.00 1.55 H new ATOM 345 N ALA A 42 7.125 7.293 2.057 1.00 0.40 N ATOM 346 CA ALA A 42 5.723 7.643 2.219 1.00 0.49 C ATOM 347 C ALA A 42 5.579 8.833 3.159 1.00 0.51 C ATOM 348 O ALA A 42 4.827 9.766 2.886 1.00 0.59 O ATOM 349 CB ALA A 42 4.937 6.448 2.738 1.00 0.58 C ATOM 0 H ALA A 42 7.403 6.435 2.534 1.00 0.40 H new ATOM 0 HA ALA A 42 5.318 7.924 1.247 1.00 0.49 H new ATOM 0 HB1 ALA A 42 3.889 6.725 2.855 1.00 0.58 H new ATOM 0 HB2 ALA A 42 5.018 5.624 2.030 1.00 0.58 H new ATOM 0 HB3 ALA A 42 5.340 6.139 3.702 1.00 0.58 H new ATOM 355 N GLU A 43 6.323 8.800 4.259 1.00 0.50 N ATOM 356 CA GLU A 43 6.330 9.890 5.225 1.00 0.60 C ATOM 357 C GLU A 43 6.824 11.171 4.555 1.00 0.62 C ATOM 358 O GLU A 43 6.290 12.258 4.779 1.00 0.73 O ATOM 359 CB GLU A 43 7.235 9.524 6.409 1.00 0.67 C ATOM 360 CG GLU A 43 7.170 10.499 7.571 1.00 0.97 C ATOM 361 CD GLU A 43 5.804 10.542 8.222 1.00 1.62 C ATOM 362 OE1 GLU A 43 5.557 9.747 9.155 1.00 2.16 O ATOM 363 OE2 GLU A 43 4.970 11.373 7.807 1.00 2.38 O ATOM 0 H GLU A 43 6.935 8.021 4.504 1.00 0.50 H new ATOM 0 HA GLU A 43 5.317 10.055 5.593 1.00 0.60 H new ATOM 0 HB2 GLU A 43 6.961 8.532 6.767 1.00 0.67 H new ATOM 0 HB3 GLU A 43 8.265 9.463 6.058 1.00 0.67 H new ATOM 0 HG2 GLU A 43 7.915 10.220 8.316 1.00 0.97 H new ATOM 0 HG3 GLU A 43 7.431 11.497 7.218 1.00 0.97 H new ATOM 370 N LYS A 44 7.833 11.012 3.709 1.00 0.58 N ATOM 371 CA LYS A 44 8.431 12.118 2.977 1.00 0.66 C ATOM 372 C LYS A 44 7.415 12.790 2.050 1.00 0.66 C ATOM 373 O LYS A 44 7.474 13.998 1.818 1.00 0.70 O ATOM 374 CB LYS A 44 9.618 11.591 2.166 1.00 0.76 C ATOM 375 CG LYS A 44 10.413 12.662 1.436 1.00 1.29 C ATOM 376 CD LYS A 44 11.575 12.057 0.658 1.00 1.69 C ATOM 377 CE LYS A 44 12.539 11.300 1.567 1.00 2.09 C ATOM 378 NZ LYS A 44 13.134 12.179 2.609 1.00 2.20 N ATOM 0 H LYS A 44 8.261 10.108 3.511 1.00 0.58 H new ATOM 0 HA LYS A 44 8.769 12.869 3.691 1.00 0.66 H new ATOM 0 HB2 LYS A 44 10.289 11.053 2.836 1.00 0.76 H new ATOM 0 HB3 LYS A 44 9.251 10.869 1.436 1.00 0.76 H new ATOM 0 HG2 LYS A 44 9.757 13.202 0.753 1.00 1.29 H new ATOM 0 HG3 LYS A 44 10.793 13.389 2.154 1.00 1.29 H new ATOM 0 HD2 LYS A 44 11.188 11.380 -0.104 1.00 1.69 H new ATOM 0 HD3 LYS A 44 12.114 12.849 0.137 1.00 1.69 H new ATOM 0 HE2 LYS A 44 12.012 10.476 2.047 1.00 2.09 H new ATOM 0 HE3 LYS A 44 13.335 10.862 0.965 1.00 2.09 H new ATOM 0 HZ1 LYS A 44 13.892 11.667 3.104 1.00 2.20 H new ATOM 0 HZ2 LYS A 44 13.528 13.031 2.161 1.00 2.20 H new ATOM 0 HZ3 LYS A 44 12.399 12.455 3.291 1.00 2.20 H new ATOM 392 N ALA A 45 6.475 12.008 1.542 1.00 0.67 N ATOM 393 CA ALA A 45 5.513 12.512 0.572 1.00 0.74 C ATOM 394 C ALA A 45 4.134 12.721 1.191 1.00 0.73 C ATOM 395 O ALA A 45 3.149 12.897 0.472 1.00 0.81 O ATOM 396 CB ALA A 45 5.424 11.560 -0.606 1.00 0.82 C ATOM 0 H ALA A 45 6.357 11.024 1.784 1.00 0.67 H new ATOM 0 HA ALA A 45 5.864 13.485 0.228 1.00 0.74 H new ATOM 0 HB1 ALA A 45 4.703 11.942 -1.329 1.00 0.82 H new ATOM 0 HB2 ALA A 45 6.402 11.475 -1.080 1.00 0.82 H new ATOM 0 HB3 ALA A 45 5.103 10.578 -0.257 1.00 0.82 H new ATOM 402 N ASN A 46 4.076 12.699 2.523 1.00 0.69 N ATOM 403 CA ASN A 46 2.826 12.920 3.261 1.00 0.72 C ATOM 404 C ASN A 46 1.781 11.860 2.892 1.00 0.67 C ATOM 405 O ASN A 46 0.592 12.149 2.758 1.00 0.84 O ATOM 406 CB ASN A 46 2.287 14.334 2.982 1.00 0.87 C ATOM 407 CG ASN A 46 1.120 14.726 3.877 1.00 1.46 C ATOM 408 OD1 ASN A 46 0.203 15.428 3.444 1.00 2.13 O ATOM 409 ND2 ASN A 46 1.156 14.309 5.135 1.00 2.13 N ATOM 0 H ASN A 46 4.886 12.529 3.119 1.00 0.69 H new ATOM 0 HA ASN A 46 3.034 12.831 4.327 1.00 0.72 H new ATOM 0 HB2 ASN A 46 3.094 15.055 3.114 1.00 0.87 H new ATOM 0 HB3 ASN A 46 1.972 14.395 1.940 1.00 0.87 H new ATOM 0 HD21 ASN A 46 0.409 14.568 5.780 1.00 2.13 H new ATOM 0 HD22 ASN A 46 1.931 13.729 5.458 1.00 2.13 H new ATOM 416 N LEU A 47 2.236 10.628 2.723 1.00 0.51 N ATOM 417 CA LEU A 47 1.351 9.532 2.365 1.00 0.51 C ATOM 418 C LEU A 47 1.006 8.701 3.591 1.00 0.46 C ATOM 419 O LEU A 47 1.829 8.544 4.498 1.00 0.56 O ATOM 420 CB LEU A 47 2.006 8.635 1.313 1.00 0.58 C ATOM 421 CG LEU A 47 2.457 9.341 0.037 1.00 0.69 C ATOM 422 CD1 LEU A 47 3.169 8.360 -0.879 1.00 1.00 C ATOM 423 CD2 LEU A 47 1.271 9.971 -0.676 1.00 1.18 C ATOM 0 H LEU A 47 3.215 10.362 2.828 1.00 0.51 H new ATOM 0 HA LEU A 47 0.437 9.959 1.953 1.00 0.51 H new ATOM 0 HB2 LEU A 47 2.871 8.148 1.763 1.00 0.58 H new ATOM 0 HB3 LEU A 47 1.302 7.848 1.043 1.00 0.58 H new ATOM 0 HG LEU A 47 3.152 10.136 0.307 1.00 0.69 H new ATOM 0 HD11 LEU A 47 3.486 8.874 -1.786 1.00 1.00 H new ATOM 0 HD12 LEU A 47 4.042 7.953 -0.368 1.00 1.00 H new ATOM 0 HD13 LEU A 47 2.490 7.548 -1.141 1.00 1.00 H new ATOM 0 HD21 LEU A 47 1.614 10.469 -1.583 1.00 1.18 H new ATOM 0 HD22 LEU A 47 0.551 9.196 -0.938 1.00 1.18 H new ATOM 0 HD23 LEU A 47 0.797 10.700 -0.019 1.00 1.18 H new ATOM 435 N TYR A 48 -0.204 8.168 3.611 1.00 0.49 N ATOM 436 CA TYR A 48 -0.646 7.316 4.705 1.00 0.54 C ATOM 437 C TYR A 48 -0.370 5.859 4.359 1.00 0.46 C ATOM 438 O TYR A 48 -1.212 5.194 3.761 1.00 0.58 O ATOM 439 CB TYR A 48 -2.146 7.505 4.965 1.00 0.64 C ATOM 440 CG TYR A 48 -2.561 8.941 5.208 1.00 0.77 C ATOM 441 CD1 TYR A 48 -2.923 9.768 4.151 1.00 1.51 C ATOM 442 CD2 TYR A 48 -2.600 9.466 6.493 1.00 1.31 C ATOM 443 CE1 TYR A 48 -3.310 11.074 4.367 1.00 1.61 C ATOM 444 CE2 TYR A 48 -2.986 10.775 6.717 1.00 1.43 C ATOM 445 CZ TYR A 48 -3.341 11.574 5.650 1.00 1.09 C ATOM 446 OH TYR A 48 -3.729 12.878 5.870 1.00 1.28 O ATOM 0 H TYR A 48 -0.901 8.310 2.880 1.00 0.49 H new ATOM 0 HA TYR A 48 -0.098 7.592 5.606 1.00 0.54 H new ATOM 0 HB2 TYR A 48 -2.702 7.118 4.111 1.00 0.64 H new ATOM 0 HB3 TYR A 48 -2.431 6.906 5.830 1.00 0.64 H new ATOM 0 HD1 TYR A 48 -2.901 9.381 3.143 1.00 1.51 H new ATOM 0 HD2 TYR A 48 -2.325 8.842 7.331 1.00 1.31 H new ATOM 0 HE1 TYR A 48 -3.588 11.702 3.533 1.00 1.61 H new ATOM 0 HE2 TYR A 48 -3.009 11.170 7.722 1.00 1.43 H new ATOM 0 HH TYR A 48 -3.697 13.071 6.830 1.00 1.28 H new ATOM 456 N LEU A 49 0.816 5.378 4.711 1.00 0.46 N ATOM 457 CA LEU A 49 1.190 3.998 4.417 1.00 0.46 C ATOM 458 C LEU A 49 0.865 3.083 5.591 1.00 0.50 C ATOM 459 O LEU A 49 0.960 3.475 6.758 1.00 0.61 O ATOM 460 CB LEU A 49 2.686 3.882 3.974 1.00 0.66 C ATOM 461 CG LEU A 49 3.815 3.839 5.056 1.00 0.81 C ATOM 462 CD1 LEU A 49 3.676 4.925 6.112 1.00 1.76 C ATOM 463 CD2 LEU A 49 3.910 2.463 5.704 1.00 1.35 C ATOM 0 H LEU A 49 1.532 5.918 5.197 1.00 0.46 H new ATOM 0 HA LEU A 49 0.591 3.665 3.569 1.00 0.46 H new ATOM 0 HB2 LEU A 49 2.778 2.978 3.372 1.00 0.66 H new ATOM 0 HB3 LEU A 49 2.897 4.726 3.317 1.00 0.66 H new ATOM 0 HG LEU A 49 4.746 4.039 4.526 1.00 0.81 H new ATOM 0 HD11 LEU A 49 4.490 4.839 6.832 1.00 1.76 H new ATOM 0 HD12 LEU A 49 3.716 5.904 5.634 1.00 1.76 H new ATOM 0 HD13 LEU A 49 2.722 4.811 6.628 1.00 1.76 H new ATOM 0 HD21 LEU A 49 4.704 2.467 6.451 1.00 1.35 H new ATOM 0 HD22 LEU A 49 2.962 2.220 6.183 1.00 1.35 H new ATOM 0 HD23 LEU A 49 4.133 1.716 4.942 1.00 1.35 H new ATOM 475 N LEU A 50 0.445 1.871 5.270 1.00 0.52 N ATOM 476 CA LEU A 50 0.138 0.876 6.281 1.00 0.63 C ATOM 477 C LEU A 50 0.870 -0.423 5.984 1.00 0.69 C ATOM 478 O LEU A 50 1.163 -0.733 4.828 1.00 0.69 O ATOM 479 CB LEU A 50 -1.369 0.597 6.350 1.00 0.77 C ATOM 480 CG LEU A 50 -2.259 1.760 6.805 1.00 0.81 C ATOM 481 CD1 LEU A 50 -2.534 2.724 5.660 1.00 1.24 C ATOM 482 CD2 LEU A 50 -3.559 1.228 7.377 1.00 1.48 C ATOM 0 H LEU A 50 0.308 1.552 4.311 1.00 0.52 H new ATOM 0 HA LEU A 50 0.466 1.274 7.241 1.00 0.63 H new ATOM 0 HB2 LEU A 50 -1.703 0.278 5.363 1.00 0.77 H new ATOM 0 HB3 LEU A 50 -1.530 -0.242 7.027 1.00 0.77 H new ATOM 0 HG LEU A 50 -1.730 2.311 7.583 1.00 0.81 H new ATOM 0 HD11 LEU A 50 -3.167 3.538 6.014 1.00 1.24 H new ATOM 0 HD12 LEU A 50 -1.592 3.131 5.293 1.00 1.24 H new ATOM 0 HD13 LEU A 50 -3.040 2.195 4.852 1.00 1.24 H new ATOM 0 HD21 LEU A 50 -4.184 2.062 7.697 1.00 1.48 H new ATOM 0 HD22 LEU A 50 -4.084 0.653 6.614 1.00 1.48 H new ATOM 0 HD23 LEU A 50 -3.345 0.586 8.232 1.00 1.48 H new ATOM 494 N THR A 51 1.177 -1.167 7.032 1.00 0.85 N ATOM 495 CA THR A 51 1.740 -2.493 6.887 1.00 1.00 C ATOM 496 C THR A 51 1.126 -3.424 7.933 1.00 1.38 C ATOM 497 O THR A 51 1.518 -3.424 9.102 1.00 2.04 O ATOM 498 CB THR A 51 3.289 -2.467 6.986 1.00 1.42 C ATOM 499 OG1 THR A 51 3.823 -3.792 6.875 1.00 1.86 O ATOM 500 CG2 THR A 51 3.771 -1.821 8.280 1.00 2.07 C ATOM 0 H THR A 51 1.044 -0.870 7.999 1.00 0.85 H new ATOM 0 HA THR A 51 1.497 -2.872 5.894 1.00 1.00 H new ATOM 0 HB THR A 51 3.651 -1.860 6.156 1.00 1.42 H new ATOM 0 HG1 THR A 51 3.816 -4.070 5.935 1.00 1.86 H new ATOM 0 HG21 THR A 51 4.861 -1.825 8.305 1.00 2.07 H new ATOM 0 HG22 THR A 51 3.411 -0.793 8.330 1.00 2.07 H new ATOM 0 HG23 THR A 51 3.386 -2.382 9.132 1.00 2.07 H new ATOM 508 N LEU A 52 0.134 -4.200 7.511 1.00 1.17 N ATOM 509 CA LEU A 52 -0.632 -5.023 8.442 1.00 1.66 C ATOM 510 C LEU A 52 -1.594 -5.935 7.689 1.00 1.10 C ATOM 511 O LEU A 52 -1.721 -5.822 6.470 1.00 1.25 O ATOM 512 CB LEU A 52 -1.367 -4.152 9.492 1.00 2.63 C ATOM 513 CG LEU A 52 -2.801 -3.671 9.179 1.00 2.95 C ATOM 514 CD1 LEU A 52 -3.414 -3.066 10.434 1.00 3.41 C ATOM 515 CD2 LEU A 52 -2.848 -2.643 8.052 1.00 3.43 C ATOM 0 H LEU A 52 -0.158 -4.277 6.537 1.00 1.17 H new ATOM 0 HA LEU A 52 0.066 -5.657 8.988 1.00 1.66 H new ATOM 0 HB2 LEU A 52 -1.403 -4.716 10.424 1.00 2.63 H new ATOM 0 HB3 LEU A 52 -0.755 -3.269 9.677 1.00 2.63 H new ATOM 0 HG LEU A 52 -3.368 -4.541 8.848 1.00 2.95 H new ATOM 0 HD11 LEU A 52 -4.426 -2.725 10.217 1.00 3.41 H new ATOM 0 HD12 LEU A 52 -3.446 -3.818 11.222 1.00 3.41 H new ATOM 0 HD13 LEU A 52 -2.810 -2.221 10.763 1.00 3.41 H new ATOM 0 HD21 LEU A 52 -3.881 -2.342 7.877 1.00 3.43 H new ATOM 0 HD22 LEU A 52 -2.258 -1.770 8.331 1.00 3.43 H new ATOM 0 HD23 LEU A 52 -2.439 -3.082 7.142 1.00 3.43 H new ATOM 527 N GLU A 53 -2.261 -6.833 8.404 1.00 1.35 N ATOM 528 CA GLU A 53 -3.176 -7.779 7.773 1.00 1.60 C ATOM 529 C GLU A 53 -4.542 -7.147 7.513 1.00 1.84 C ATOM 530 O GLU A 53 -5.080 -7.244 6.409 1.00 2.34 O ATOM 531 CB GLU A 53 -3.339 -9.030 8.639 1.00 2.04 C ATOM 532 CG GLU A 53 -2.047 -9.801 8.843 1.00 2.24 C ATOM 533 CD GLU A 53 -2.252 -11.070 9.640 1.00 2.43 C ATOM 534 OE1 GLU A 53 -2.545 -12.117 9.028 1.00 2.97 O ATOM 535 OE2 GLU A 53 -2.118 -11.029 10.881 1.00 2.75 O ATOM 0 H GLU A 53 -2.187 -6.927 9.417 1.00 1.35 H new ATOM 0 HA GLU A 53 -2.743 -8.062 6.814 1.00 1.60 H new ATOM 0 HB2 GLU A 53 -3.736 -8.739 9.612 1.00 2.04 H new ATOM 0 HB3 GLU A 53 -4.076 -9.688 8.178 1.00 2.04 H new ATOM 0 HG2 GLU A 53 -1.619 -10.050 7.872 1.00 2.24 H new ATOM 0 HG3 GLU A 53 -1.325 -9.166 9.356 1.00 2.24 H new ATOM 542 N THR A 54 -5.106 -6.501 8.525 1.00 1.76 N ATOM 543 CA THR A 54 -6.429 -5.894 8.378 1.00 1.96 C ATOM 544 C THR A 54 -6.321 -4.383 8.224 1.00 1.44 C ATOM 545 O THR A 54 -6.074 -3.665 9.188 1.00 1.41 O ATOM 546 CB THR A 54 -7.344 -6.210 9.581 1.00 2.58 C ATOM 547 OG1 THR A 54 -7.143 -7.566 10.002 1.00 2.85 O ATOM 548 CG2 THR A 54 -8.807 -6.012 9.206 1.00 3.30 C ATOM 0 H THR A 54 -4.679 -6.383 9.444 1.00 1.76 H new ATOM 0 HA THR A 54 -6.871 -6.324 7.479 1.00 1.96 H new ATOM 0 HB THR A 54 -7.091 -5.530 10.395 1.00 2.58 H new ATOM 0 HG1 THR A 54 -7.724 -7.761 10.766 1.00 2.85 H new ATOM 0 HG21 THR A 54 -9.437 -6.239 10.066 1.00 3.30 H new ATOM 0 HG22 THR A 54 -8.968 -4.978 8.902 1.00 3.30 H new ATOM 0 HG23 THR A 54 -9.065 -6.677 8.382 1.00 3.30 H new ATOM 556 N ASP A 55 -6.547 -3.909 7.013 1.00 1.58 N ATOM 557 CA ASP A 55 -6.438 -2.483 6.703 1.00 1.57 C ATOM 558 C ASP A 55 -7.792 -1.798 6.863 1.00 1.40 C ATOM 559 O ASP A 55 -7.875 -0.572 6.950 1.00 1.25 O ATOM 560 CB ASP A 55 -5.954 -2.293 5.260 1.00 2.38 C ATOM 561 CG ASP A 55 -7.042 -2.638 4.262 1.00 3.04 C ATOM 562 OD1 ASP A 55 -7.578 -3.763 4.328 1.00 3.66 O ATOM 563 OD2 ASP A 55 -7.394 -1.774 3.436 1.00 3.51 O ATOM 0 H ASP A 55 -6.810 -4.491 6.217 1.00 1.58 H new ATOM 0 HA ASP A 55 -5.722 -2.038 7.394 1.00 1.57 H new ATOM 0 HB2 ASP A 55 -5.638 -1.260 5.114 1.00 2.38 H new ATOM 0 HB3 ASP A 55 -5.082 -2.922 5.081 1.00 2.38 H new ATOM 568 N ASP A 56 -8.834 -2.625 6.892 1.00 1.62 N ATOM 569 CA ASP A 56 -10.236 -2.180 6.857 1.00 1.72 C ATOM 570 C ASP A 56 -10.522 -0.952 7.716 1.00 1.47 C ATOM 571 O ASP A 56 -11.006 0.057 7.204 1.00 1.48 O ATOM 572 CB ASP A 56 -11.171 -3.322 7.269 1.00 2.15 C ATOM 573 CG ASP A 56 -12.630 -2.916 7.226 1.00 2.43 C ATOM 574 OD1 ASP A 56 -13.230 -2.944 6.132 1.00 2.98 O ATOM 575 OD2 ASP A 56 -13.190 -2.577 8.285 1.00 2.88 O ATOM 0 H ASP A 56 -8.733 -3.639 6.941 1.00 1.62 H new ATOM 0 HA ASP A 56 -10.423 -1.887 5.824 1.00 1.72 H new ATOM 0 HB2 ASP A 56 -11.014 -4.174 6.607 1.00 2.15 H new ATOM 0 HB3 ASP A 56 -10.917 -3.650 8.277 1.00 2.15 H new ATOM 580 N LYS A 57 -10.216 -1.022 9.004 1.00 1.39 N ATOM 581 CA LYS A 57 -10.615 0.035 9.922 1.00 1.42 C ATOM 582 C LYS A 57 -9.838 1.319 9.659 1.00 1.20 C ATOM 583 O LYS A 57 -10.417 2.404 9.607 1.00 1.27 O ATOM 584 CB LYS A 57 -10.430 -0.408 11.379 1.00 1.57 C ATOM 585 CG LYS A 57 -10.795 0.666 12.393 1.00 1.98 C ATOM 586 CD LYS A 57 -12.227 1.142 12.203 1.00 2.71 C ATOM 587 CE LYS A 57 -12.547 2.339 13.080 1.00 3.40 C ATOM 588 NZ LYS A 57 -13.924 2.844 12.836 1.00 4.03 N ATOM 0 H LYS A 57 -9.699 -1.790 9.433 1.00 1.39 H new ATOM 0 HA LYS A 57 -11.672 0.236 9.751 1.00 1.42 H new ATOM 0 HB2 LYS A 57 -11.042 -1.291 11.562 1.00 1.57 H new ATOM 0 HB3 LYS A 57 -9.392 -0.702 11.532 1.00 1.57 H new ATOM 0 HG2 LYS A 57 -10.671 0.273 13.402 1.00 1.98 H new ATOM 0 HG3 LYS A 57 -10.113 1.510 12.293 1.00 1.98 H new ATOM 0 HD2 LYS A 57 -12.386 1.405 11.157 1.00 2.71 H new ATOM 0 HD3 LYS A 57 -12.914 0.328 12.435 1.00 2.71 H new ATOM 0 HE2 LYS A 57 -12.441 2.061 14.129 1.00 3.40 H new ATOM 0 HE3 LYS A 57 -11.828 3.135 12.887 1.00 3.40 H new ATOM 0 HZ1 LYS A 57 -14.108 3.661 13.452 1.00 4.03 H new ATOM 0 HZ2 LYS A 57 -14.017 3.132 11.841 1.00 4.03 H new ATOM 0 HZ3 LYS A 57 -14.612 2.092 13.044 1.00 4.03 H new ATOM 602 N LYS A 58 -8.535 1.191 9.473 1.00 1.07 N ATOM 603 CA LYS A 58 -7.678 2.358 9.338 1.00 1.04 C ATOM 604 C LYS A 58 -7.852 3.036 7.984 1.00 0.88 C ATOM 605 O LYS A 58 -8.096 4.239 7.917 1.00 0.87 O ATOM 606 CB LYS A 58 -6.211 1.985 9.548 1.00 1.18 C ATOM 607 CG LYS A 58 -5.894 1.509 10.958 1.00 1.64 C ATOM 608 CD LYS A 58 -4.396 1.389 11.188 1.00 2.25 C ATOM 609 CE LYS A 58 -3.707 2.741 11.080 1.00 2.61 C ATOM 610 NZ LYS A 58 -2.254 2.654 11.373 1.00 2.99 N ATOM 0 H LYS A 58 -8.049 0.296 9.412 1.00 1.07 H new ATOM 0 HA LYS A 58 -7.979 3.065 10.111 1.00 1.04 H new ATOM 0 HB2 LYS A 58 -5.940 1.201 8.841 1.00 1.18 H new ATOM 0 HB3 LYS A 58 -5.589 2.850 9.318 1.00 1.18 H new ATOM 0 HG2 LYS A 58 -6.318 2.205 11.681 1.00 1.64 H new ATOM 0 HG3 LYS A 58 -6.367 0.542 11.131 1.00 1.64 H new ATOM 0 HD2 LYS A 58 -4.211 0.963 12.174 1.00 2.25 H new ATOM 0 HD3 LYS A 58 -3.968 0.702 10.458 1.00 2.25 H new ATOM 0 HE2 LYS A 58 -3.850 3.141 10.076 1.00 2.61 H new ATOM 0 HE3 LYS A 58 -4.174 3.442 11.772 1.00 2.61 H new ATOM 0 HZ1 LYS A 58 -1.826 3.598 11.288 1.00 2.99 H new ATOM 0 HZ2 LYS A 58 -2.116 2.297 12.340 1.00 2.99 H new ATOM 0 HZ3 LYS A 58 -1.802 2.006 10.697 1.00 2.99 H new ATOM 624 N ILE A 59 -7.743 2.267 6.906 1.00 0.83 N ATOM 625 CA ILE A 59 -7.786 2.845 5.567 1.00 0.80 C ATOM 626 C ILE A 59 -9.148 3.454 5.266 1.00 0.74 C ATOM 627 O ILE A 59 -9.224 4.532 4.682 1.00 0.78 O ATOM 628 CB ILE A 59 -7.413 1.818 4.465 1.00 0.90 C ATOM 629 CG1 ILE A 59 -5.925 1.447 4.551 1.00 1.12 C ATOM 630 CG2 ILE A 59 -7.747 2.358 3.078 1.00 0.96 C ATOM 631 CD1 ILE A 59 -5.464 0.529 3.441 1.00 1.33 C ATOM 0 H ILE A 59 -7.626 1.254 6.931 1.00 0.83 H new ATOM 0 HA ILE A 59 -7.035 3.635 5.555 1.00 0.80 H new ATOM 0 HB ILE A 59 -8.005 0.918 4.631 1.00 0.90 H new ATOM 0 HG12 ILE A 59 -5.330 2.360 4.527 1.00 1.12 H new ATOM 0 HG13 ILE A 59 -5.734 0.967 5.511 1.00 1.12 H new ATOM 0 HG21 ILE A 59 -7.476 1.619 2.325 1.00 0.96 H new ATOM 0 HG22 ILE A 59 -8.815 2.564 3.016 1.00 0.96 H new ATOM 0 HG23 ILE A 59 -7.189 3.277 2.901 1.00 0.96 H new ATOM 0 HD11 ILE A 59 -4.404 0.310 3.567 1.00 1.33 H new ATOM 0 HD12 ILE A 59 -6.033 -0.400 3.477 1.00 1.33 H new ATOM 0 HD13 ILE A 59 -5.623 1.014 2.478 1.00 1.33 H new ATOM 643 N GLU A 60 -10.222 2.796 5.681 1.00 0.77 N ATOM 644 CA GLU A 60 -11.551 3.318 5.404 1.00 0.87 C ATOM 645 C GLU A 60 -11.770 4.617 6.167 1.00 0.85 C ATOM 646 O GLU A 60 -12.392 5.552 5.659 1.00 0.94 O ATOM 647 CB GLU A 60 -12.640 2.311 5.761 1.00 1.04 C ATOM 648 CG GLU A 60 -13.968 2.635 5.102 1.00 1.32 C ATOM 649 CD GLU A 60 -15.086 1.708 5.512 1.00 1.47 C ATOM 650 OE1 GLU A 60 -15.077 0.530 5.093 1.00 1.96 O ATOM 651 OE2 GLU A 60 -16.000 2.169 6.225 1.00 2.01 O ATOM 0 H GLU A 60 -10.201 1.918 6.200 1.00 0.77 H new ATOM 0 HA GLU A 60 -11.616 3.510 4.333 1.00 0.87 H new ATOM 0 HB2 GLU A 60 -12.322 1.313 5.458 1.00 1.04 H new ATOM 0 HB3 GLU A 60 -12.770 2.290 6.843 1.00 1.04 H new ATOM 0 HG2 GLU A 60 -14.247 3.659 5.349 1.00 1.32 H new ATOM 0 HG3 GLU A 60 -13.848 2.590 4.020 1.00 1.32 H new ATOM 658 N ASP A 61 -11.236 4.673 7.382 1.00 0.82 N ATOM 659 CA ASP A 61 -11.303 5.878 8.196 1.00 0.88 C ATOM 660 C ASP A 61 -10.540 7.017 7.533 1.00 0.79 C ATOM 661 O ASP A 61 -11.079 8.106 7.339 1.00 0.83 O ATOM 662 CB ASP A 61 -10.732 5.620 9.592 1.00 0.99 C ATOM 663 CG ASP A 61 -10.597 6.892 10.404 1.00 1.55 C ATOM 664 OD1 ASP A 61 -11.617 7.371 10.943 1.00 2.27 O ATOM 665 OD2 ASP A 61 -9.473 7.423 10.508 1.00 2.05 O ATOM 0 H ASP A 61 -10.750 3.893 7.825 1.00 0.82 H new ATOM 0 HA ASP A 61 -12.351 6.161 8.290 1.00 0.88 H new ATOM 0 HB2 ASP A 61 -11.378 4.920 10.122 1.00 0.99 H new ATOM 0 HB3 ASP A 61 -9.755 5.145 9.500 1.00 0.99 H new ATOM 670 N ILE A 62 -9.289 6.754 7.179 1.00 0.72 N ATOM 671 CA ILE A 62 -8.449 7.747 6.524 1.00 0.69 C ATOM 672 C ILE A 62 -9.059 8.181 5.194 1.00 0.68 C ATOM 673 O ILE A 62 -9.088 9.368 4.872 1.00 0.73 O ATOM 674 CB ILE A 62 -7.020 7.205 6.284 1.00 0.73 C ATOM 675 CG1 ILE A 62 -6.351 6.866 7.621 1.00 0.81 C ATOM 676 CG2 ILE A 62 -6.185 8.217 5.509 1.00 0.77 C ATOM 677 CD1 ILE A 62 -4.984 6.233 7.476 1.00 0.93 C ATOM 0 H ILE A 62 -8.832 5.856 7.336 1.00 0.72 H new ATOM 0 HA ILE A 62 -8.388 8.609 7.189 1.00 0.69 H new ATOM 0 HB ILE A 62 -7.090 6.295 5.689 1.00 0.73 H new ATOM 0 HG12 ILE A 62 -6.258 7.777 8.212 1.00 0.81 H new ATOM 0 HG13 ILE A 62 -6.998 6.189 8.179 1.00 0.81 H new ATOM 0 HG21 ILE A 62 -5.183 7.817 5.350 1.00 0.77 H new ATOM 0 HG22 ILE A 62 -6.654 8.414 4.545 1.00 0.77 H new ATOM 0 HG23 ILE A 62 -6.119 9.145 6.077 1.00 0.77 H new ATOM 0 HD11 ILE A 62 -4.574 6.022 8.464 1.00 0.93 H new ATOM 0 HD12 ILE A 62 -5.071 5.304 6.913 1.00 0.93 H new ATOM 0 HD13 ILE A 62 -4.321 6.917 6.947 1.00 0.93 H new ATOM 689 N LEU A 63 -9.583 7.217 4.449 1.00 0.68 N ATOM 690 CA LEU A 63 -10.167 7.489 3.137 1.00 0.76 C ATOM 691 C LEU A 63 -11.421 8.353 3.268 1.00 0.84 C ATOM 692 O LEU A 63 -11.590 9.327 2.530 1.00 0.94 O ATOM 693 CB LEU A 63 -10.470 6.176 2.389 1.00 0.85 C ATOM 694 CG LEU A 63 -11.437 6.295 1.206 1.00 1.23 C ATOM 695 CD1 LEU A 63 -10.807 7.083 0.069 1.00 1.57 C ATOM 696 CD2 LEU A 63 -11.877 4.919 0.720 1.00 1.89 C ATOM 0 H LEU A 63 -9.617 6.237 4.729 1.00 0.68 H new ATOM 0 HA LEU A 63 -9.438 8.047 2.549 1.00 0.76 H new ATOM 0 HB2 LEU A 63 -9.530 5.760 2.026 1.00 0.85 H new ATOM 0 HB3 LEU A 63 -10.881 5.460 3.101 1.00 0.85 H new ATOM 0 HG LEU A 63 -12.320 6.834 1.550 1.00 1.23 H new ATOM 0 HD11 LEU A 63 -11.512 7.154 -0.759 1.00 1.57 H new ATOM 0 HD12 LEU A 63 -10.554 8.084 0.417 1.00 1.57 H new ATOM 0 HD13 LEU A 63 -9.902 6.576 -0.267 1.00 1.57 H new ATOM 0 HD21 LEU A 63 -12.563 5.032 -0.120 1.00 1.89 H new ATOM 0 HD22 LEU A 63 -11.004 4.349 0.402 1.00 1.89 H new ATOM 0 HD23 LEU A 63 -12.379 4.391 1.530 1.00 1.89 H new ATOM 708 N LYS A 64 -12.288 8.018 4.220 1.00 0.89 N ATOM 709 CA LYS A 64 -13.483 8.821 4.470 1.00 1.05 C ATOM 710 C LYS A 64 -13.112 10.218 4.965 1.00 1.03 C ATOM 711 O LYS A 64 -13.875 11.169 4.795 1.00 1.13 O ATOM 712 CB LYS A 64 -14.410 8.140 5.482 1.00 1.22 C ATOM 713 CG LYS A 64 -15.298 7.060 4.879 1.00 1.64 C ATOM 714 CD LYS A 64 -16.283 6.518 5.906 1.00 2.17 C ATOM 715 CE LYS A 64 -17.370 5.666 5.264 1.00 2.87 C ATOM 716 NZ LYS A 64 -16.833 4.419 4.656 1.00 3.41 N ATOM 0 H LYS A 64 -12.188 7.204 4.826 1.00 0.89 H new ATOM 0 HA LYS A 64 -14.014 8.914 3.522 1.00 1.05 H new ATOM 0 HB2 LYS A 64 -13.805 7.698 6.274 1.00 1.22 H new ATOM 0 HB3 LYS A 64 -15.041 8.897 5.948 1.00 1.22 H new ATOM 0 HG2 LYS A 64 -15.844 7.468 4.028 1.00 1.64 H new ATOM 0 HG3 LYS A 64 -14.679 6.246 4.501 1.00 1.64 H new ATOM 0 HD2 LYS A 64 -15.745 5.923 6.644 1.00 2.17 H new ATOM 0 HD3 LYS A 64 -16.743 7.349 6.440 1.00 2.17 H new ATOM 0 HE2 LYS A 64 -18.116 5.408 6.016 1.00 2.87 H new ATOM 0 HE3 LYS A 64 -17.879 6.250 4.497 1.00 2.87 H new ATOM 0 HZ1 LYS A 64 -17.565 3.979 4.063 1.00 3.41 H new ATOM 0 HZ2 LYS A 64 -16.004 4.647 4.071 1.00 3.41 H new ATOM 0 HZ3 LYS A 64 -16.554 3.758 5.409 1.00 3.41 H new ATOM 730 N SER A 65 -11.935 10.337 5.568 1.00 0.97 N ATOM 731 CA SER A 65 -11.468 11.616 6.082 1.00 1.06 C ATOM 732 C SER A 65 -10.774 12.429 4.986 1.00 1.03 C ATOM 733 O SER A 65 -10.617 13.644 5.110 1.00 1.13 O ATOM 734 CB SER A 65 -10.513 11.391 7.258 1.00 1.18 C ATOM 735 OG SER A 65 -11.106 10.556 8.244 1.00 1.65 O ATOM 0 H SER A 65 -11.287 9.562 5.712 1.00 0.97 H new ATOM 0 HA SER A 65 -12.333 12.182 6.427 1.00 1.06 H new ATOM 0 HB2 SER A 65 -9.590 10.936 6.899 1.00 1.18 H new ATOM 0 HB3 SER A 65 -10.245 12.350 7.702 1.00 1.18 H new ATOM 0 HG SER A 65 -10.940 9.617 8.020 1.00 1.65 H new ATOM 741 N LEU A 66 -10.361 11.759 3.915 1.00 0.97 N ATOM 742 CA LEU A 66 -9.673 12.438 2.817 1.00 1.05 C ATOM 743 C LEU A 66 -10.656 13.130 1.874 1.00 1.20 C ATOM 744 O LEU A 66 -10.415 14.259 1.453 1.00 1.55 O ATOM 745 CB LEU A 66 -8.775 11.467 2.037 1.00 1.00 C ATOM 746 CG LEU A 66 -7.435 11.127 2.718 1.00 1.09 C ATOM 747 CD1 LEU A 66 -6.730 9.965 2.026 1.00 1.72 C ATOM 748 CD2 LEU A 66 -6.529 12.349 2.734 1.00 1.38 C ATOM 0 H LEU A 66 -10.488 10.756 3.782 1.00 0.97 H new ATOM 0 HA LEU A 66 -9.042 13.206 3.264 1.00 1.05 H new ATOM 0 HB2 LEU A 66 -9.326 10.541 1.871 1.00 1.00 H new ATOM 0 HB3 LEU A 66 -8.568 11.896 1.056 1.00 1.00 H new ATOM 0 HG LEU A 66 -7.653 10.824 3.742 1.00 1.09 H new ATOM 0 HD11 LEU A 66 -5.789 9.755 2.535 1.00 1.72 H new ATOM 0 HD12 LEU A 66 -7.366 9.081 2.061 1.00 1.72 H new ATOM 0 HD13 LEU A 66 -6.530 10.228 0.987 1.00 1.72 H new ATOM 0 HD21 LEU A 66 -5.585 12.096 3.218 1.00 1.38 H new ATOM 0 HD22 LEU A 66 -6.337 12.673 1.711 1.00 1.38 H new ATOM 0 HD23 LEU A 66 -7.014 13.155 3.285 1.00 1.38 H new ATOM 760 N GLY A 67 -11.766 12.470 1.554 1.00 1.07 N ATOM 761 CA GLY A 67 -12.794 13.108 0.754 1.00 1.26 C ATOM 762 C GLY A 67 -12.877 12.560 -0.662 1.00 1.22 C ATOM 763 O GLY A 67 -13.561 11.563 -0.896 1.00 1.28 O ATOM 0 H GLY A 67 -11.970 11.510 1.833 1.00 1.07 H new ATOM 0 HA2 GLY A 67 -13.759 12.979 1.244 1.00 1.26 H new ATOM 0 HA3 GLY A 67 -12.599 14.180 0.711 1.00 1.26 H new ATOM 767 N PRO A 68 -12.206 13.211 -1.632 1.00 1.24 N ATOM 768 CA PRO A 68 -12.200 12.779 -3.040 1.00 1.29 C ATOM 769 C PRO A 68 -11.722 11.341 -3.218 1.00 1.15 C ATOM 770 O PRO A 68 -10.978 10.824 -2.384 1.00 0.99 O ATOM 771 CB PRO A 68 -11.203 13.736 -3.700 1.00 1.41 C ATOM 772 CG PRO A 68 -11.191 14.937 -2.827 1.00 1.56 C ATOM 773 CD PRO A 68 -11.403 14.430 -1.433 1.00 1.35 C ATOM 0 HA PRO A 68 -13.203 12.804 -3.466 1.00 1.29 H new ATOM 0 HB2 PRO A 68 -10.212 13.288 -3.769 1.00 1.41 H new ATOM 0 HB3 PRO A 68 -11.510 13.988 -4.715 1.00 1.41 H new ATOM 0 HG2 PRO A 68 -10.244 15.471 -2.909 1.00 1.56 H new ATOM 0 HG3 PRO A 68 -11.977 15.636 -3.113 1.00 1.56 H new ATOM 0 HD2 PRO A 68 -10.457 14.212 -0.937 1.00 1.35 H new ATOM 0 HD3 PRO A 68 -11.926 15.160 -0.815 1.00 1.35 H new ATOM 781 N PRO A 69 -12.164 10.676 -4.305 1.00 1.30 N ATOM 782 CA PRO A 69 -11.721 9.320 -4.654 1.00 1.26 C ATOM 783 C PRO A 69 -10.201 9.198 -4.628 1.00 1.05 C ATOM 784 O PRO A 69 -9.501 9.710 -5.507 1.00 1.17 O ATOM 785 CB PRO A 69 -12.251 9.138 -6.087 1.00 1.53 C ATOM 786 CG PRO A 69 -13.462 10.003 -6.138 1.00 1.89 C ATOM 787 CD PRO A 69 -13.153 11.195 -5.272 1.00 1.58 C ATOM 0 HA PRO A 69 -12.084 8.569 -3.953 1.00 1.26 H new ATOM 0 HB2 PRO A 69 -11.512 9.443 -6.827 1.00 1.53 H new ATOM 0 HB3 PRO A 69 -12.496 8.096 -6.292 1.00 1.53 H new ATOM 0 HG2 PRO A 69 -13.681 10.309 -7.161 1.00 1.89 H new ATOM 0 HG3 PRO A 69 -14.339 9.470 -5.771 1.00 1.89 H new ATOM 0 HD2 PRO A 69 -12.747 12.021 -5.857 1.00 1.58 H new ATOM 0 HD3 PRO A 69 -14.046 11.568 -4.771 1.00 1.58 H new ATOM 795 N VAL A 70 -9.702 8.527 -3.606 1.00 0.85 N ATOM 796 CA VAL A 70 -8.276 8.390 -3.393 1.00 0.67 C ATOM 797 C VAL A 70 -7.715 7.196 -4.154 1.00 0.60 C ATOM 798 O VAL A 70 -8.298 6.111 -4.151 1.00 0.66 O ATOM 799 CB VAL A 70 -7.968 8.248 -1.888 1.00 0.62 C ATOM 800 CG1 VAL A 70 -6.504 7.926 -1.648 1.00 0.99 C ATOM 801 CG2 VAL A 70 -8.358 9.521 -1.158 1.00 1.08 C ATOM 0 H VAL A 70 -10.275 8.062 -2.902 1.00 0.85 H new ATOM 0 HA VAL A 70 -7.795 9.292 -3.772 1.00 0.67 H new ATOM 0 HB VAL A 70 -8.556 7.417 -1.498 1.00 0.62 H new ATOM 0 HG11 VAL A 70 -6.323 7.833 -0.577 1.00 0.99 H new ATOM 0 HG12 VAL A 70 -6.252 6.987 -2.142 1.00 0.99 H new ATOM 0 HG13 VAL A 70 -5.884 8.726 -2.053 1.00 0.99 H new ATOM 0 HG21 VAL A 70 -8.138 9.413 -0.096 1.00 1.08 H new ATOM 0 HG22 VAL A 70 -7.792 10.360 -1.563 1.00 1.08 H new ATOM 0 HG23 VAL A 70 -9.424 9.704 -1.291 1.00 1.08 H new ATOM 811 N LYS A 71 -6.584 7.411 -4.810 1.00 0.55 N ATOM 812 CA LYS A 71 -5.908 6.351 -5.539 1.00 0.54 C ATOM 813 C LYS A 71 -5.025 5.562 -4.582 1.00 0.43 C ATOM 814 O LYS A 71 -4.221 6.139 -3.847 1.00 0.41 O ATOM 815 CB LYS A 71 -5.074 6.937 -6.683 1.00 0.65 C ATOM 816 CG LYS A 71 -5.872 7.828 -7.624 1.00 1.27 C ATOM 817 CD LYS A 71 -6.947 7.049 -8.368 1.00 1.74 C ATOM 818 CE LYS A 71 -7.816 7.969 -9.209 1.00 2.14 C ATOM 819 NZ LYS A 71 -8.771 7.212 -10.062 1.00 2.53 N ATOM 0 H LYS A 71 -6.114 8.315 -4.851 1.00 0.55 H new ATOM 0 HA LYS A 71 -6.651 5.681 -5.972 1.00 0.54 H new ATOM 0 HB2 LYS A 71 -4.250 7.513 -6.263 1.00 0.65 H new ATOM 0 HB3 LYS A 71 -4.633 6.121 -7.255 1.00 0.65 H new ATOM 0 HG2 LYS A 71 -6.336 8.634 -7.055 1.00 1.27 H new ATOM 0 HG3 LYS A 71 -5.197 8.293 -8.343 1.00 1.27 H new ATOM 0 HD2 LYS A 71 -6.479 6.302 -9.009 1.00 1.74 H new ATOM 0 HD3 LYS A 71 -7.569 6.511 -7.653 1.00 1.74 H new ATOM 0 HE2 LYS A 71 -8.370 8.642 -8.554 1.00 2.14 H new ATOM 0 HE3 LYS A 71 -7.181 8.590 -9.840 1.00 2.14 H new ATOM 0 HZ1 LYS A 71 -9.343 7.879 -10.618 1.00 2.53 H new ATOM 0 HZ2 LYS A 71 -8.243 6.588 -10.705 1.00 2.53 H new ATOM 0 HZ3 LYS A 71 -9.395 6.639 -9.459 1.00 2.53 H new ATOM 833 N ILE A 72 -5.197 4.250 -4.577 1.00 0.45 N ATOM 834 CA ILE A 72 -4.504 3.396 -3.626 1.00 0.43 C ATOM 835 C ILE A 72 -3.422 2.558 -4.305 1.00 0.41 C ATOM 836 O ILE A 72 -3.679 1.873 -5.301 1.00 0.50 O ATOM 837 CB ILE A 72 -5.498 2.460 -2.900 1.00 0.54 C ATOM 838 CG1 ILE A 72 -6.576 3.284 -2.189 1.00 0.68 C ATOM 839 CG2 ILE A 72 -4.767 1.564 -1.907 1.00 0.58 C ATOM 840 CD1 ILE A 72 -7.641 2.446 -1.511 1.00 1.00 C ATOM 0 H ILE A 72 -5.811 3.753 -5.222 1.00 0.45 H new ATOM 0 HA ILE A 72 -4.028 4.052 -2.897 1.00 0.43 H new ATOM 0 HB ILE A 72 -5.979 1.822 -3.642 1.00 0.54 H new ATOM 0 HG12 ILE A 72 -6.100 3.921 -1.444 1.00 0.68 H new ATOM 0 HG13 ILE A 72 -7.053 3.943 -2.914 1.00 0.68 H new ATOM 0 HG21 ILE A 72 -5.485 0.913 -1.407 1.00 0.58 H new ATOM 0 HG22 ILE A 72 -4.034 0.956 -2.437 1.00 0.58 H new ATOM 0 HG23 ILE A 72 -4.259 2.181 -1.166 1.00 0.58 H new ATOM 0 HD11 ILE A 72 -8.368 3.101 -1.030 1.00 1.00 H new ATOM 0 HD12 ILE A 72 -8.145 1.828 -2.254 1.00 1.00 H new ATOM 0 HD13 ILE A 72 -7.177 1.806 -0.761 1.00 1.00 H new ATOM 852 N LEU A 73 -2.215 2.639 -3.768 1.00 0.37 N ATOM 853 CA LEU A 73 -1.107 1.803 -4.209 1.00 0.37 C ATOM 854 C LEU A 73 -0.846 0.722 -3.170 1.00 0.37 C ATOM 855 O LEU A 73 -0.786 1.011 -1.975 1.00 0.46 O ATOM 856 CB LEU A 73 0.156 2.651 -4.396 1.00 0.43 C ATOM 857 CG LEU A 73 1.444 1.870 -4.729 1.00 0.57 C ATOM 858 CD1 LEU A 73 1.354 1.127 -6.061 1.00 1.06 C ATOM 859 CD2 LEU A 73 2.643 2.804 -4.730 1.00 1.22 C ATOM 0 H LEU A 73 -1.975 3.284 -3.016 1.00 0.37 H new ATOM 0 HA LEU A 73 -1.366 1.343 -5.162 1.00 0.37 H new ATOM 0 HB2 LEU A 73 -0.027 3.371 -5.194 1.00 0.43 H new ATOM 0 HB3 LEU A 73 0.326 3.223 -3.484 1.00 0.43 H new ATOM 0 HG LEU A 73 1.568 1.118 -3.950 1.00 0.57 H new ATOM 0 HD11 LEU A 73 2.287 0.595 -6.245 1.00 1.06 H new ATOM 0 HD12 LEU A 73 0.531 0.414 -6.025 1.00 1.06 H new ATOM 0 HD13 LEU A 73 1.180 1.842 -6.865 1.00 1.06 H new ATOM 0 HD21 LEU A 73 3.544 2.239 -4.967 1.00 1.22 H new ATOM 0 HD22 LEU A 73 2.497 3.583 -5.478 1.00 1.22 H new ATOM 0 HD23 LEU A 73 2.749 3.261 -3.746 1.00 1.22 H new ATOM 871 N VAL A 74 -0.680 -0.513 -3.615 1.00 0.40 N ATOM 872 CA VAL A 74 -0.417 -1.608 -2.691 1.00 0.40 C ATOM 873 C VAL A 74 0.814 -2.394 -3.125 1.00 0.39 C ATOM 874 O VAL A 74 0.911 -2.866 -4.260 1.00 0.47 O ATOM 875 CB VAL A 74 -1.638 -2.563 -2.492 1.00 0.48 C ATOM 876 CG1 VAL A 74 -1.905 -3.462 -3.693 1.00 1.30 C ATOM 877 CG2 VAL A 74 -1.454 -3.411 -1.245 1.00 1.16 C ATOM 0 H VAL A 74 -0.722 -0.782 -4.598 1.00 0.40 H new ATOM 0 HA VAL A 74 -0.228 -1.148 -1.721 1.00 0.40 H new ATOM 0 HB VAL A 74 -2.510 -1.919 -2.378 1.00 0.48 H new ATOM 0 HG11 VAL A 74 -2.765 -4.099 -3.487 1.00 1.30 H new ATOM 0 HG12 VAL A 74 -2.110 -2.847 -4.569 1.00 1.30 H new ATOM 0 HG13 VAL A 74 -1.031 -4.084 -3.883 1.00 1.30 H new ATOM 0 HG21 VAL A 74 -2.314 -4.070 -1.123 1.00 1.16 H new ATOM 0 HG22 VAL A 74 -0.549 -4.010 -1.343 1.00 1.16 H new ATOM 0 HG23 VAL A 74 -1.367 -2.762 -0.373 1.00 1.16 H new ATOM 887 N LEU A 75 1.775 -2.484 -2.223 1.00 0.38 N ATOM 888 CA LEU A 75 2.983 -3.248 -2.461 1.00 0.38 C ATOM 889 C LEU A 75 2.869 -4.589 -1.761 1.00 0.35 C ATOM 890 O LEU A 75 2.713 -4.646 -0.541 1.00 0.43 O ATOM 891 CB LEU A 75 4.227 -2.508 -1.947 1.00 0.48 C ATOM 892 CG LEU A 75 4.678 -1.263 -2.736 1.00 0.80 C ATOM 893 CD1 LEU A 75 3.596 -0.191 -2.794 1.00 1.67 C ATOM 894 CD2 LEU A 75 5.944 -0.691 -2.118 1.00 1.65 C ATOM 0 H LEU A 75 1.739 -2.031 -1.310 1.00 0.38 H new ATOM 0 HA LEU A 75 3.094 -3.388 -3.536 1.00 0.38 H new ATOM 0 HB2 LEU A 75 4.040 -2.206 -0.917 1.00 0.48 H new ATOM 0 HB3 LEU A 75 5.057 -3.215 -1.926 1.00 0.48 H new ATOM 0 HG LEU A 75 4.876 -1.579 -3.760 1.00 0.80 H new ATOM 0 HD11 LEU A 75 3.962 0.665 -3.360 1.00 1.67 H new ATOM 0 HD12 LEU A 75 2.709 -0.596 -3.281 1.00 1.67 H new ATOM 0 HD13 LEU A 75 3.342 0.125 -1.782 1.00 1.67 H new ATOM 0 HD21 LEU A 75 6.258 0.189 -2.680 1.00 1.65 H new ATOM 0 HD22 LEU A 75 5.749 -0.410 -1.083 1.00 1.65 H new ATOM 0 HD23 LEU A 75 6.734 -1.441 -2.147 1.00 1.65 H new ATOM 906 N LEU A 76 2.922 -5.659 -2.527 1.00 0.34 N ATOM 907 CA LEU A 76 2.773 -6.990 -1.968 1.00 0.42 C ATOM 908 C LEU A 76 4.037 -7.809 -2.171 1.00 0.41 C ATOM 909 O LEU A 76 4.465 -8.038 -3.301 1.00 0.48 O ATOM 910 CB LEU A 76 1.582 -7.714 -2.603 1.00 0.55 C ATOM 911 CG LEU A 76 0.214 -7.066 -2.371 1.00 1.09 C ATOM 912 CD1 LEU A 76 -0.870 -7.847 -3.093 1.00 1.52 C ATOM 913 CD2 LEU A 76 -0.101 -6.984 -0.885 1.00 1.76 C ATOM 0 H LEU A 76 3.067 -5.635 -3.536 1.00 0.34 H new ATOM 0 HA LEU A 76 2.593 -6.882 -0.898 1.00 0.42 H new ATOM 0 HB2 LEU A 76 1.753 -7.785 -3.677 1.00 0.55 H new ATOM 0 HB3 LEU A 76 1.552 -8.733 -2.217 1.00 0.55 H new ATOM 0 HG LEU A 76 0.246 -6.053 -2.772 1.00 1.09 H new ATOM 0 HD11 LEU A 76 -1.837 -7.374 -2.919 1.00 1.52 H new ATOM 0 HD12 LEU A 76 -0.659 -7.858 -4.162 1.00 1.52 H new ATOM 0 HD13 LEU A 76 -0.893 -8.870 -2.717 1.00 1.52 H new ATOM 0 HD21 LEU A 76 -1.077 -6.520 -0.745 1.00 1.76 H new ATOM 0 HD22 LEU A 76 -0.112 -7.987 -0.459 1.00 1.76 H new ATOM 0 HD23 LEU A 76 0.660 -6.385 -0.384 1.00 1.76 H new ATOM 925 N GLU A 77 4.637 -8.231 -1.074 1.00 0.46 N ATOM 926 CA GLU A 77 5.749 -9.161 -1.131 1.00 0.49 C ATOM 927 C GLU A 77 5.200 -10.550 -1.428 1.00 0.49 C ATOM 928 O GLU A 77 4.223 -10.977 -0.810 1.00 0.59 O ATOM 929 CB GLU A 77 6.513 -9.150 0.195 1.00 0.61 C ATOM 930 CG GLU A 77 7.588 -10.219 0.310 1.00 0.63 C ATOM 931 CD GLU A 77 8.462 -10.035 1.535 1.00 1.04 C ATOM 932 OE1 GLU A 77 7.969 -10.242 2.665 1.00 1.71 O ATOM 933 OE2 GLU A 77 9.653 -9.700 1.371 1.00 1.74 O ATOM 0 H GLU A 77 4.373 -7.944 -0.132 1.00 0.46 H new ATOM 0 HA GLU A 77 6.444 -8.869 -1.918 1.00 0.49 H new ATOM 0 HB2 GLU A 77 6.975 -8.172 0.326 1.00 0.61 H new ATOM 0 HB3 GLU A 77 5.802 -9.278 1.011 1.00 0.61 H new ATOM 0 HG2 GLU A 77 7.116 -11.201 0.348 1.00 0.63 H new ATOM 0 HG3 GLU A 77 8.212 -10.200 -0.584 1.00 0.63 H new ATOM 940 N ASP A 78 5.808 -11.253 -2.374 1.00 0.54 N ATOM 941 CA ASP A 78 5.263 -12.531 -2.818 1.00 0.61 C ATOM 942 C ASP A 78 5.537 -13.613 -1.781 1.00 0.63 C ATOM 943 O ASP A 78 6.557 -14.299 -1.825 1.00 0.72 O ATOM 944 CB ASP A 78 5.854 -12.935 -4.170 1.00 0.77 C ATOM 945 CG ASP A 78 5.013 -13.977 -4.885 1.00 1.06 C ATOM 946 OD1 ASP A 78 4.435 -13.650 -5.945 1.00 1.59 O ATOM 947 OD2 ASP A 78 4.915 -15.120 -4.395 1.00 1.85 O ATOM 0 H ASP A 78 6.667 -10.966 -2.844 1.00 0.54 H new ATOM 0 HA ASP A 78 4.185 -12.419 -2.934 1.00 0.61 H new ATOM 0 HB2 ASP A 78 5.945 -12.051 -4.801 1.00 0.77 H new ATOM 0 HB3 ASP A 78 6.861 -13.326 -4.021 1.00 0.77 H new ATOM 952 N THR A 79 4.630 -13.725 -0.826 1.00 0.61 N ATOM 953 CA THR A 79 4.705 -14.741 0.208 1.00 0.72 C ATOM 954 C THR A 79 3.557 -15.740 0.036 1.00 0.78 C ATOM 955 O THR A 79 2.694 -15.542 -0.823 1.00 0.84 O ATOM 956 CB THR A 79 4.629 -14.081 1.599 1.00 0.77 C ATOM 957 OG1 THR A 79 5.328 -12.831 1.567 1.00 1.04 O ATOM 958 CG2 THR A 79 5.243 -14.963 2.676 1.00 1.20 C ATOM 0 H THR A 79 3.819 -13.112 -0.746 1.00 0.61 H new ATOM 0 HA THR A 79 5.653 -15.271 0.121 1.00 0.72 H new ATOM 0 HB THR A 79 3.577 -13.930 1.841 1.00 0.77 H new ATOM 0 HG1 THR A 79 5.281 -12.407 2.449 1.00 1.04 H new ATOM 0 HG21 THR A 79 5.170 -14.463 3.642 1.00 1.20 H new ATOM 0 HG22 THR A 79 4.708 -15.912 2.718 1.00 1.20 H new ATOM 0 HG23 THR A 79 6.291 -15.147 2.441 1.00 1.20 H new ATOM 966 N LYS A 80 3.535 -16.801 0.832 1.00 0.84 N ATOM 967 CA LYS A 80 2.413 -17.732 0.807 1.00 0.92 C ATOM 968 C LYS A 80 1.129 -17.027 1.229 1.00 0.88 C ATOM 969 O LYS A 80 0.148 -17.019 0.488 1.00 0.90 O ATOM 970 CB LYS A 80 2.687 -18.932 1.712 1.00 1.09 C ATOM 971 CG LYS A 80 3.836 -19.793 1.222 1.00 1.65 C ATOM 972 CD LYS A 80 4.168 -20.907 2.198 1.00 2.05 C ATOM 973 CE LYS A 80 5.379 -21.701 1.734 1.00 3.00 C ATOM 974 NZ LYS A 80 6.579 -20.836 1.565 1.00 3.57 N ATOM 0 H LYS A 80 4.272 -17.038 1.496 1.00 0.84 H new ATOM 0 HA LYS A 80 2.290 -18.095 -0.213 1.00 0.92 H new ATOM 0 HB2 LYS A 80 2.909 -18.578 2.719 1.00 1.09 H new ATOM 0 HB3 LYS A 80 1.786 -19.542 1.780 1.00 1.09 H new ATOM 0 HG2 LYS A 80 3.579 -20.224 0.254 1.00 1.65 H new ATOM 0 HG3 LYS A 80 4.717 -19.170 1.070 1.00 1.65 H new ATOM 0 HD2 LYS A 80 4.363 -20.485 3.184 1.00 2.05 H new ATOM 0 HD3 LYS A 80 3.311 -21.572 2.300 1.00 2.05 H new ATOM 0 HE2 LYS A 80 5.597 -22.487 2.457 1.00 3.00 H new ATOM 0 HE3 LYS A 80 5.150 -22.193 0.789 1.00 3.00 H new ATOM 0 HZ1 LYS A 80 7.433 -21.429 1.533 1.00 3.57 H new ATOM 0 HZ2 LYS A 80 6.497 -20.298 0.678 1.00 3.57 H new ATOM 0 HZ3 LYS A 80 6.646 -20.175 2.365 1.00 3.57 H new ATOM 988 N ASP A 81 1.164 -16.394 2.402 1.00 0.90 N ATOM 989 CA ASP A 81 0.011 -15.665 2.945 1.00 0.93 C ATOM 990 C ASP A 81 -0.487 -14.599 1.972 1.00 0.83 C ATOM 991 O ASP A 81 -1.657 -14.212 1.997 1.00 0.82 O ATOM 992 CB ASP A 81 0.379 -14.983 4.266 1.00 1.08 C ATOM 993 CG ASP A 81 0.850 -15.947 5.334 1.00 1.46 C ATOM 994 OD1 ASP A 81 0.026 -16.356 6.178 1.00 2.24 O ATOM 995 OD2 ASP A 81 2.055 -16.279 5.354 1.00 2.00 O ATOM 0 H ASP A 81 1.988 -16.370 3.003 1.00 0.90 H new ATOM 0 HA ASP A 81 -0.780 -16.397 3.109 1.00 0.93 H new ATOM 0 HB2 ASP A 81 1.162 -14.248 4.080 1.00 1.08 H new ATOM 0 HB3 ASP A 81 -0.488 -14.437 4.638 1.00 1.08 H new ATOM 1000 N ALA A 82 0.412 -14.134 1.110 1.00 0.82 N ATOM 1001 CA ALA A 82 0.131 -13.028 0.201 1.00 0.82 C ATOM 1002 C ALA A 82 -0.963 -13.360 -0.813 1.00 0.82 C ATOM 1003 O ALA A 82 -1.466 -12.465 -1.491 1.00 0.84 O ATOM 1004 CB ALA A 82 1.399 -12.604 -0.523 1.00 0.97 C ATOM 0 H ALA A 82 1.355 -14.513 1.022 1.00 0.82 H new ATOM 0 HA ALA A 82 -0.237 -12.204 0.812 1.00 0.82 H new ATOM 0 HB1 ALA A 82 1.174 -11.778 -1.198 1.00 0.97 H new ATOM 0 HB2 ALA A 82 2.144 -12.285 0.205 1.00 0.97 H new ATOM 0 HB3 ALA A 82 1.789 -13.445 -1.096 1.00 0.97 H new ATOM 1010 N ASP A 83 -1.338 -14.633 -0.921 1.00 0.91 N ATOM 1011 CA ASP A 83 -2.376 -15.024 -1.869 1.00 1.03 C ATOM 1012 C ASP A 83 -3.717 -14.515 -1.369 1.00 0.98 C ATOM 1013 O ASP A 83 -4.595 -14.125 -2.145 1.00 1.03 O ATOM 1014 CB ASP A 83 -2.419 -16.550 -2.053 1.00 1.27 C ATOM 1015 CG ASP A 83 -3.171 -17.272 -0.944 1.00 1.72 C ATOM 1016 OD1 ASP A 83 -4.329 -17.682 -1.174 1.00 2.22 O ATOM 1017 OD2 ASP A 83 -2.612 -17.436 0.160 1.00 2.33 O ATOM 0 H ASP A 83 -0.946 -15.399 -0.373 1.00 0.91 H new ATOM 0 HA ASP A 83 -2.151 -14.584 -2.840 1.00 1.03 H new ATOM 0 HB2 ASP A 83 -2.888 -16.780 -3.009 1.00 1.27 H new ATOM 0 HB3 ASP A 83 -1.399 -16.932 -2.098 1.00 1.27 H new ATOM 1022 N LYS A 84 -3.839 -14.480 -0.053 1.00 0.96 N ATOM 1023 CA LYS A 84 -5.065 -14.078 0.593 1.00 1.04 C ATOM 1024 C LYS A 84 -5.130 -12.563 0.718 1.00 0.94 C ATOM 1025 O LYS A 84 -6.161 -11.961 0.433 1.00 1.04 O ATOM 1026 CB LYS A 84 -5.153 -14.746 1.962 1.00 1.17 C ATOM 1027 CG LYS A 84 -6.502 -14.611 2.636 1.00 1.67 C ATOM 1028 CD LYS A 84 -6.541 -15.437 3.906 1.00 2.01 C ATOM 1029 CE LYS A 84 -5.743 -14.793 5.031 1.00 2.47 C ATOM 1030 NZ LYS A 84 -6.352 -13.518 5.498 1.00 3.21 N ATOM 0 H LYS A 84 -3.089 -14.730 0.592 1.00 0.96 H new ATOM 0 HA LYS A 84 -5.916 -14.395 -0.011 1.00 1.04 H new ATOM 0 HB2 LYS A 84 -4.919 -15.805 1.852 1.00 1.17 H new ATOM 0 HB3 LYS A 84 -4.391 -14.317 2.612 1.00 1.17 H new ATOM 0 HG2 LYS A 84 -6.696 -13.564 2.869 1.00 1.67 H new ATOM 0 HG3 LYS A 84 -7.290 -14.938 1.957 1.00 1.67 H new ATOM 0 HD2 LYS A 84 -7.576 -15.565 4.223 1.00 2.01 H new ATOM 0 HD3 LYS A 84 -6.144 -16.432 3.704 1.00 2.01 H new ATOM 0 HE2 LYS A 84 -5.674 -15.488 5.868 1.00 2.47 H new ATOM 0 HE3 LYS A 84 -4.726 -14.603 4.689 1.00 2.47 H new ATOM 0 HZ1 LYS A 84 -5.877 -13.205 6.368 1.00 3.21 H new ATOM 0 HZ2 LYS A 84 -6.242 -12.791 4.763 1.00 3.21 H new ATOM 0 HZ3 LYS A 84 -7.363 -13.666 5.690 1.00 3.21 H new ATOM 1044 N VAL A 85 -4.011 -11.946 1.094 1.00 0.80 N ATOM 1045 CA VAL A 85 -3.977 -10.501 1.311 1.00 0.77 C ATOM 1046 C VAL A 85 -4.314 -9.766 0.018 1.00 0.68 C ATOM 1047 O VAL A 85 -4.956 -8.716 0.041 1.00 0.75 O ATOM 1048 CB VAL A 85 -2.592 -10.014 1.821 1.00 0.75 C ATOM 1049 CG1 VAL A 85 -2.704 -8.625 2.431 1.00 1.35 C ATOM 1050 CG2 VAL A 85 -1.964 -10.994 2.817 1.00 1.16 C ATOM 0 H VAL A 85 -3.122 -12.420 1.254 1.00 0.80 H new ATOM 0 HA VAL A 85 -4.719 -10.279 2.078 1.00 0.77 H new ATOM 0 HB VAL A 85 -1.929 -9.966 0.957 1.00 0.75 H new ATOM 0 HG11 VAL A 85 -1.724 -8.302 2.782 1.00 1.35 H new ATOM 0 HG12 VAL A 85 -3.069 -7.926 1.679 1.00 1.35 H new ATOM 0 HG13 VAL A 85 -3.400 -8.651 3.270 1.00 1.35 H new ATOM 0 HG21 VAL A 85 -0.998 -10.610 3.145 1.00 1.16 H new ATOM 0 HG22 VAL A 85 -2.621 -11.107 3.679 1.00 1.16 H new ATOM 0 HG23 VAL A 85 -1.826 -11.963 2.336 1.00 1.16 H new ATOM 1060 N LYS A 86 -3.906 -10.338 -1.112 1.00 0.60 N ATOM 1061 CA LYS A 86 -4.194 -9.739 -2.405 1.00 0.59 C ATOM 1062 C LYS A 86 -5.697 -9.695 -2.649 1.00 0.69 C ATOM 1063 O LYS A 86 -6.263 -8.627 -2.890 1.00 0.78 O ATOM 1064 CB LYS A 86 -3.504 -10.506 -3.538 1.00 0.62 C ATOM 1065 CG LYS A 86 -3.767 -9.904 -4.911 1.00 0.79 C ATOM 1066 CD LYS A 86 -3.076 -10.676 -6.022 1.00 1.07 C ATOM 1067 CE LYS A 86 -3.422 -10.096 -7.385 1.00 1.57 C ATOM 1068 NZ LYS A 86 -2.741 -10.817 -8.493 1.00 2.30 N ATOM 0 H LYS A 86 -3.378 -11.210 -1.155 1.00 0.60 H new ATOM 0 HA LYS A 86 -3.804 -8.721 -2.393 1.00 0.59 H new ATOM 0 HB2 LYS A 86 -2.430 -10.524 -3.355 1.00 0.62 H new ATOM 0 HB3 LYS A 86 -3.846 -11.541 -3.530 1.00 0.62 H new ATOM 0 HG2 LYS A 86 -4.841 -9.886 -5.098 1.00 0.79 H new ATOM 0 HG3 LYS A 86 -3.424 -8.869 -4.923 1.00 0.79 H new ATOM 0 HD2 LYS A 86 -1.997 -10.646 -5.873 1.00 1.07 H new ATOM 0 HD3 LYS A 86 -3.375 -11.724 -5.982 1.00 1.07 H new ATOM 0 HE2 LYS A 86 -4.501 -10.141 -7.534 1.00 1.57 H new ATOM 0 HE3 LYS A 86 -3.140 -9.043 -7.412 1.00 1.57 H new ATOM 0 HZ1 LYS A 86 -3.007 -10.387 -9.402 1.00 2.30 H new ATOM 0 HZ2 LYS A 86 -1.711 -10.753 -8.367 1.00 2.30 H new ATOM 0 HZ3 LYS A 86 -3.029 -11.816 -8.486 1.00 2.30 H new ATOM 1082 N LYS A 87 -6.351 -10.852 -2.546 1.00 0.75 N ATOM 1083 CA LYS A 87 -7.776 -10.938 -2.844 1.00 0.89 C ATOM 1084 C LYS A 87 -8.606 -10.181 -1.805 1.00 0.88 C ATOM 1085 O LYS A 87 -9.742 -9.792 -2.078 1.00 0.93 O ATOM 1086 CB LYS A 87 -8.241 -12.397 -2.929 1.00 1.06 C ATOM 1087 CG LYS A 87 -8.235 -13.134 -1.599 1.00 1.85 C ATOM 1088 CD LYS A 87 -8.857 -14.519 -1.715 1.00 2.29 C ATOM 1089 CE LYS A 87 -10.307 -14.449 -2.181 1.00 3.21 C ATOM 1090 NZ LYS A 87 -10.974 -15.777 -2.135 1.00 3.93 N ATOM 0 H LYS A 87 -5.921 -11.732 -2.262 1.00 0.75 H new ATOM 0 HA LYS A 87 -7.930 -10.471 -3.817 1.00 0.89 H new ATOM 0 HB2 LYS A 87 -9.250 -12.421 -3.340 1.00 1.06 H new ATOM 0 HB3 LYS A 87 -7.599 -12.931 -3.630 1.00 1.06 H new ATOM 0 HG2 LYS A 87 -7.210 -13.225 -1.239 1.00 1.85 H new ATOM 0 HG3 LYS A 87 -8.782 -12.551 -0.858 1.00 1.85 H new ATOM 0 HD2 LYS A 87 -8.278 -15.120 -2.416 1.00 2.29 H new ATOM 0 HD3 LYS A 87 -8.809 -15.021 -0.749 1.00 2.29 H new ATOM 0 HE2 LYS A 87 -10.855 -13.746 -1.554 1.00 3.21 H new ATOM 0 HE3 LYS A 87 -10.342 -14.061 -3.199 1.00 3.21 H new ATOM 0 HZ1 LYS A 87 -11.957 -15.683 -2.460 1.00 3.93 H new ATOM 0 HZ2 LYS A 87 -10.467 -16.442 -2.754 1.00 3.93 H new ATOM 0 HZ3 LYS A 87 -10.965 -16.137 -1.159 1.00 3.93 H new ATOM 1104 N GLU A 88 -8.040 -9.972 -0.619 1.00 0.90 N ATOM 1105 CA GLU A 88 -8.720 -9.218 0.428 1.00 0.98 C ATOM 1106 C GLU A 88 -8.786 -7.740 0.068 1.00 0.96 C ATOM 1107 O GLU A 88 -9.838 -7.107 0.198 1.00 1.02 O ATOM 1108 CB GLU A 88 -8.021 -9.403 1.777 1.00 1.06 C ATOM 1109 CG GLU A 88 -8.152 -10.808 2.337 1.00 1.16 C ATOM 1110 CD GLU A 88 -7.548 -10.948 3.716 1.00 1.87 C ATOM 1111 OE1 GLU A 88 -6.422 -11.474 3.834 1.00 2.43 O ATOM 1112 OE2 GLU A 88 -8.206 -10.539 4.694 1.00 2.58 O ATOM 0 H GLU A 88 -7.114 -10.314 -0.360 1.00 0.90 H new ATOM 0 HA GLU A 88 -9.736 -9.603 0.512 1.00 0.98 H new ATOM 0 HB2 GLU A 88 -6.964 -9.161 1.666 1.00 1.06 H new ATOM 0 HB3 GLU A 88 -8.437 -8.694 2.493 1.00 1.06 H new ATOM 0 HG2 GLU A 88 -9.206 -11.081 2.378 1.00 1.16 H new ATOM 0 HG3 GLU A 88 -7.667 -11.511 1.660 1.00 1.16 H new ATOM 1119 N ILE A 89 -7.666 -7.200 -0.397 1.00 0.91 N ATOM 1120 CA ILE A 89 -7.605 -5.806 -0.815 1.00 0.93 C ATOM 1121 C ILE A 89 -8.440 -5.596 -2.081 1.00 0.87 C ATOM 1122 O ILE A 89 -9.126 -4.585 -2.225 1.00 0.91 O ATOM 1123 CB ILE A 89 -6.146 -5.349 -1.064 1.00 0.96 C ATOM 1124 CG1 ILE A 89 -5.290 -5.536 0.201 1.00 1.05 C ATOM 1125 CG2 ILE A 89 -6.104 -3.897 -1.523 1.00 1.03 C ATOM 1126 CD1 ILE A 89 -5.744 -4.711 1.393 1.00 1.17 C ATOM 0 H ILE A 89 -6.787 -7.708 -0.494 1.00 0.91 H new ATOM 0 HA ILE A 89 -8.014 -5.200 -0.006 1.00 0.93 H new ATOM 0 HB ILE A 89 -5.730 -5.972 -1.856 1.00 0.96 H new ATOM 0 HG12 ILE A 89 -5.300 -6.590 0.479 1.00 1.05 H new ATOM 0 HG13 ILE A 89 -4.257 -5.277 -0.032 1.00 1.05 H new ATOM 0 HG21 ILE A 89 -5.069 -3.598 -1.692 1.00 1.03 H new ATOM 0 HG22 ILE A 89 -6.668 -3.792 -2.450 1.00 1.03 H new ATOM 0 HG23 ILE A 89 -6.545 -3.260 -0.756 1.00 1.03 H new ATOM 0 HD11 ILE A 89 -5.086 -4.903 2.240 1.00 1.17 H new ATOM 0 HD12 ILE A 89 -5.707 -3.652 1.138 1.00 1.17 H new ATOM 0 HD13 ILE A 89 -6.765 -4.985 1.657 1.00 1.17 H new ATOM 1138 N GLU A 90 -8.398 -6.569 -2.987 1.00 0.81 N ATOM 1139 CA GLU A 90 -9.199 -6.510 -4.210 1.00 0.79 C ATOM 1140 C GLU A 90 -10.691 -6.532 -3.887 1.00 0.79 C ATOM 1141 O GLU A 90 -11.478 -5.793 -4.479 1.00 0.79 O ATOM 1142 CB GLU A 90 -8.871 -7.680 -5.132 1.00 0.83 C ATOM 1143 CG GLU A 90 -7.444 -7.691 -5.644 1.00 1.35 C ATOM 1144 CD GLU A 90 -7.192 -8.836 -6.600 1.00 1.53 C ATOM 1145 OE1 GLU A 90 -7.198 -8.604 -7.826 1.00 1.94 O ATOM 1146 OE2 GLU A 90 -7.021 -9.979 -6.136 1.00 2.08 O ATOM 0 H GLU A 90 -7.821 -7.405 -2.900 1.00 0.81 H new ATOM 0 HA GLU A 90 -8.955 -5.575 -4.714 1.00 0.79 H new ATOM 0 HB2 GLU A 90 -9.060 -8.612 -4.599 1.00 0.83 H new ATOM 0 HB3 GLU A 90 -9.550 -7.657 -5.984 1.00 0.83 H new ATOM 0 HG2 GLU A 90 -7.232 -6.747 -6.146 1.00 1.35 H new ATOM 0 HG3 GLU A 90 -6.757 -7.765 -4.801 1.00 1.35 H new ATOM 1153 N LYS A 91 -11.063 -7.385 -2.938 1.00 0.85 N ATOM 1154 CA LYS A 91 -12.456 -7.551 -2.539 1.00 0.93 C ATOM 1155 C LYS A 91 -13.065 -6.221 -2.110 1.00 0.96 C ATOM 1156 O LYS A 91 -14.169 -5.866 -2.525 1.00 0.97 O ATOM 1157 CB LYS A 91 -12.548 -8.565 -1.391 1.00 1.11 C ATOM 1158 CG LYS A 91 -13.957 -8.806 -0.851 1.00 1.66 C ATOM 1159 CD LYS A 91 -14.729 -9.851 -1.652 1.00 1.93 C ATOM 1160 CE LYS A 91 -15.249 -9.313 -2.975 1.00 2.60 C ATOM 1161 NZ LYS A 91 -16.124 -10.299 -3.663 1.00 3.12 N ATOM 0 H LYS A 91 -10.410 -7.978 -2.426 1.00 0.85 H new ATOM 0 HA LYS A 91 -13.018 -7.920 -3.397 1.00 0.93 H new ATOM 0 HB2 LYS A 91 -12.139 -9.516 -1.733 1.00 1.11 H new ATOM 0 HB3 LYS A 91 -11.915 -8.222 -0.572 1.00 1.11 H new ATOM 0 HG2 LYS A 91 -13.892 -9.127 0.189 1.00 1.66 H new ATOM 0 HG3 LYS A 91 -14.510 -7.867 -0.861 1.00 1.66 H new ATOM 0 HD2 LYS A 91 -14.082 -10.707 -1.842 1.00 1.93 H new ATOM 0 HD3 LYS A 91 -15.568 -10.212 -1.057 1.00 1.93 H new ATOM 0 HE2 LYS A 91 -15.805 -8.392 -2.800 1.00 2.60 H new ATOM 0 HE3 LYS A 91 -14.408 -9.060 -3.621 1.00 2.60 H new ATOM 0 HZ1 LYS A 91 -16.460 -9.897 -4.562 1.00 3.12 H new ATOM 0 HZ2 LYS A 91 -15.586 -11.168 -3.852 1.00 3.12 H new ATOM 0 HZ3 LYS A 91 -16.939 -10.522 -3.057 1.00 3.12 H new ATOM 1175 N LYS A 92 -12.333 -5.479 -1.295 1.00 1.03 N ATOM 1176 CA LYS A 92 -12.827 -4.214 -0.774 1.00 1.17 C ATOM 1177 C LYS A 92 -12.726 -3.118 -1.832 1.00 1.08 C ATOM 1178 O LYS A 92 -13.511 -2.170 -1.830 1.00 1.15 O ATOM 1179 CB LYS A 92 -12.042 -3.814 0.487 1.00 1.37 C ATOM 1180 CG LYS A 92 -10.605 -3.404 0.209 1.00 1.59 C ATOM 1181 CD LYS A 92 -9.863 -3.089 1.492 1.00 1.81 C ATOM 1182 CE LYS A 92 -10.468 -1.895 2.208 1.00 2.18 C ATOM 1183 NZ LYS A 92 -9.969 -1.787 3.596 1.00 2.41 N ATOM 0 H LYS A 92 -11.396 -5.730 -0.980 1.00 1.03 H new ATOM 0 HA LYS A 92 -13.877 -4.338 -0.509 1.00 1.17 H new ATOM 0 HB2 LYS A 92 -12.557 -2.989 0.978 1.00 1.37 H new ATOM 0 HB3 LYS A 92 -12.043 -4.651 1.185 1.00 1.37 H new ATOM 0 HG2 LYS A 92 -10.092 -4.206 -0.322 1.00 1.59 H new ATOM 0 HG3 LYS A 92 -10.594 -2.531 -0.444 1.00 1.59 H new ATOM 0 HD2 LYS A 92 -9.886 -3.958 2.149 1.00 1.81 H new ATOM 0 HD3 LYS A 92 -8.816 -2.887 1.267 1.00 1.81 H new ATOM 0 HE2 LYS A 92 -10.229 -0.982 1.662 1.00 2.18 H new ATOM 0 HE3 LYS A 92 -11.554 -1.986 2.217 1.00 2.18 H new ATOM 0 HZ1 LYS A 92 -10.554 -1.108 4.124 1.00 2.41 H new ATOM 0 HZ2 LYS A 92 -10.019 -2.718 4.056 1.00 2.41 H new ATOM 0 HZ3 LYS A 92 -8.982 -1.458 3.586 1.00 2.41 H new ATOM 1197 N ALA A 93 -11.766 -3.259 -2.740 1.00 0.98 N ATOM 1198 CA ALA A 93 -11.583 -2.292 -3.813 1.00 0.99 C ATOM 1199 C ALA A 93 -12.798 -2.272 -4.728 1.00 0.90 C ATOM 1200 O ALA A 93 -13.248 -1.211 -5.162 1.00 0.98 O ATOM 1201 CB ALA A 93 -10.323 -2.609 -4.605 1.00 1.01 C ATOM 0 H ALA A 93 -11.103 -4.034 -2.753 1.00 0.98 H new ATOM 0 HA ALA A 93 -11.472 -1.302 -3.370 1.00 0.99 H new ATOM 0 HB1 ALA A 93 -10.201 -1.877 -5.403 1.00 1.01 H new ATOM 0 HB2 ALA A 93 -9.458 -2.571 -3.943 1.00 1.01 H new ATOM 0 HB3 ALA A 93 -10.406 -3.606 -5.037 1.00 1.01 H new ATOM 1207 N ARG A 94 -13.342 -3.453 -4.997 1.00 0.82 N ATOM 1208 CA ARG A 94 -14.519 -3.574 -5.848 1.00 0.85 C ATOM 1209 C ARG A 94 -15.767 -3.119 -5.093 1.00 0.86 C ATOM 1210 O ARG A 94 -16.709 -2.595 -5.687 1.00 0.92 O ATOM 1211 CB ARG A 94 -14.688 -5.022 -6.338 1.00 0.93 C ATOM 1212 CG ARG A 94 -15.816 -5.195 -7.341 1.00 1.31 C ATOM 1213 CD ARG A 94 -15.879 -6.617 -7.872 1.00 1.63 C ATOM 1214 NE ARG A 94 -16.950 -6.787 -8.853 1.00 2.21 N ATOM 1215 CZ ARG A 94 -17.199 -7.924 -9.502 1.00 2.80 C ATOM 1216 NH1 ARG A 94 -16.445 -8.995 -9.291 1.00 2.96 N ATOM 1217 NH2 ARG A 94 -18.198 -7.989 -10.371 1.00 3.67 N ATOM 0 H ARG A 94 -12.987 -4.339 -4.638 1.00 0.82 H new ATOM 0 HA ARG A 94 -14.383 -2.932 -6.718 1.00 0.85 H new ATOM 0 HB2 ARG A 94 -13.755 -5.355 -6.792 1.00 0.93 H new ATOM 0 HB3 ARG A 94 -14.873 -5.668 -5.480 1.00 0.93 H new ATOM 0 HG2 ARG A 94 -16.765 -4.940 -6.870 1.00 1.31 H new ATOM 0 HG3 ARG A 94 -15.675 -4.502 -8.171 1.00 1.31 H new ATOM 0 HD2 ARG A 94 -14.924 -6.876 -8.329 1.00 1.63 H new ATOM 0 HD3 ARG A 94 -16.034 -7.307 -7.043 1.00 1.63 H new ATOM 0 HE ARG A 94 -17.545 -5.983 -9.054 1.00 2.21 H new ATOM 0 HH11 ARG A 94 -15.670 -8.951 -8.629 1.00 2.96 H new ATOM 0 HH12 ARG A 94 -16.640 -9.863 -9.791 1.00 2.96 H new ATOM 0 HH21 ARG A 94 -18.778 -7.168 -10.544 1.00 3.67 H new ATOM 0 HH22 ARG A 94 -18.387 -8.860 -10.867 1.00 3.67 H new ATOM 1231 N LYS A 95 -15.761 -3.306 -3.778 1.00 0.90 N ATOM 1232 CA LYS A 95 -16.886 -2.897 -2.946 1.00 1.02 C ATOM 1233 C LYS A 95 -16.965 -1.378 -2.820 1.00 1.02 C ATOM 1234 O LYS A 95 -18.052 -0.804 -2.860 1.00 1.15 O ATOM 1235 CB LYS A 95 -16.793 -3.529 -1.556 1.00 1.23 C ATOM 1236 CG LYS A 95 -17.271 -4.973 -1.496 1.00 1.55 C ATOM 1237 CD LYS A 95 -18.745 -5.082 -1.856 1.00 2.10 C ATOM 1238 CE LYS A 95 -19.302 -6.467 -1.563 1.00 2.52 C ATOM 1239 NZ LYS A 95 -19.275 -6.786 -0.111 1.00 3.34 N ATOM 0 H LYS A 95 -14.991 -3.737 -3.266 1.00 0.90 H new ATOM 0 HA LYS A 95 -17.795 -3.248 -3.435 1.00 1.02 H new ATOM 0 HB2 LYS A 95 -15.758 -3.486 -1.218 1.00 1.23 H new ATOM 0 HB3 LYS A 95 -17.381 -2.934 -0.858 1.00 1.23 H new ATOM 0 HG2 LYS A 95 -16.681 -5.582 -2.181 1.00 1.55 H new ATOM 0 HG3 LYS A 95 -17.109 -5.371 -0.494 1.00 1.55 H new ATOM 0 HD2 LYS A 95 -19.311 -4.338 -1.296 1.00 2.10 H new ATOM 0 HD3 LYS A 95 -18.878 -4.854 -2.914 1.00 2.10 H new ATOM 0 HE2 LYS A 95 -20.327 -6.530 -1.928 1.00 2.52 H new ATOM 0 HE3 LYS A 95 -18.723 -7.213 -2.108 1.00 2.52 H new ATOM 0 HZ1 LYS A 95 -19.908 -7.588 0.080 1.00 3.34 H new ATOM 0 HZ2 LYS A 95 -18.306 -7.035 0.172 1.00 3.34 H new ATOM 0 HZ3 LYS A 95 -19.592 -5.958 0.432 1.00 3.34 H new ATOM 1253 N LYS A 96 -15.816 -0.731 -2.665 1.00 0.97 N ATOM 1254 CA LYS A 96 -15.772 0.721 -2.523 1.00 1.03 C ATOM 1255 C LYS A 96 -15.660 1.417 -3.881 1.00 0.96 C ATOM 1256 O LYS A 96 -15.725 2.645 -3.965 1.00 1.07 O ATOM 1257 CB LYS A 96 -14.606 1.139 -1.623 1.00 1.15 C ATOM 1258 CG LYS A 96 -14.813 0.822 -0.149 1.00 1.29 C ATOM 1259 CD LYS A 96 -15.944 1.650 0.445 1.00 1.68 C ATOM 1260 CE LYS A 96 -15.959 1.577 1.966 1.00 1.78 C ATOM 1261 NZ LYS A 96 -16.270 0.215 2.470 1.00 2.17 N ATOM 0 H LYS A 96 -14.904 -1.187 -2.634 1.00 0.97 H new ATOM 0 HA LYS A 96 -16.709 1.032 -2.061 1.00 1.03 H new ATOM 0 HB2 LYS A 96 -13.699 0.641 -1.967 1.00 1.15 H new ATOM 0 HB3 LYS A 96 -14.442 2.211 -1.733 1.00 1.15 H new ATOM 0 HG2 LYS A 96 -15.036 -0.238 -0.031 1.00 1.29 H new ATOM 0 HG3 LYS A 96 -13.891 1.016 0.399 1.00 1.29 H new ATOM 0 HD2 LYS A 96 -15.837 2.689 0.132 1.00 1.68 H new ATOM 0 HD3 LYS A 96 -16.898 1.296 0.055 1.00 1.68 H new ATOM 0 HE2 LYS A 96 -14.988 1.890 2.351 1.00 1.78 H new ATOM 0 HE3 LYS A 96 -16.696 2.280 2.352 1.00 1.78 H new ATOM 0 HZ1 LYS A 96 -16.039 0.158 3.482 1.00 2.17 H new ATOM 0 HZ2 LYS A 96 -17.282 0.017 2.335 1.00 2.17 H new ATOM 0 HZ3 LYS A 96 -15.707 -0.486 1.946 1.00 2.17 H new ATOM 1275 N ASN A 97 -15.497 0.613 -4.934 1.00 0.86 N ATOM 1276 CA ASN A 97 -15.423 1.110 -6.313 1.00 0.86 C ATOM 1277 C ASN A 97 -14.172 1.951 -6.540 1.00 0.87 C ATOM 1278 O ASN A 97 -14.199 2.935 -7.279 1.00 1.04 O ATOM 1279 CB ASN A 97 -16.670 1.923 -6.685 1.00 0.97 C ATOM 1280 CG ASN A 97 -17.935 1.089 -6.717 1.00 1.61 C ATOM 1281 OD1 ASN A 97 -18.643 0.968 -5.716 1.00 2.27 O ATOM 1282 ND2 ASN A 97 -18.225 0.499 -7.866 1.00 2.33 N ATOM 0 H ASN A 97 -15.412 -0.401 -4.857 1.00 0.86 H new ATOM 0 HA ASN A 97 -15.373 0.234 -6.960 1.00 0.86 H new ATOM 0 HB2 ASN A 97 -16.795 2.734 -5.968 1.00 0.97 H new ATOM 0 HB3 ASN A 97 -16.519 2.382 -7.662 1.00 0.97 H new ATOM 0 HD21 ASN A 97 -19.061 -0.081 -7.945 1.00 2.33 H new ATOM 0 HD22 ASN A 97 -17.613 0.624 -8.672 1.00 2.33 H new ATOM 1289 N LEU A 98 -13.075 1.554 -5.917 1.00 0.78 N ATOM 1290 CA LEU A 98 -11.817 2.268 -6.068 1.00 0.84 C ATOM 1291 C LEU A 98 -10.752 1.346 -6.648 1.00 0.71 C ATOM 1292 O LEU A 98 -10.535 0.247 -6.136 1.00 0.65 O ATOM 1293 CB LEU A 98 -11.350 2.830 -4.721 1.00 1.00 C ATOM 1294 CG LEU A 98 -12.193 3.985 -4.152 1.00 1.40 C ATOM 1295 CD1 LEU A 98 -11.835 4.251 -2.698 1.00 1.70 C ATOM 1296 CD2 LEU A 98 -12.001 5.258 -4.969 1.00 2.08 C ATOM 0 H LEU A 98 -13.029 0.742 -5.302 1.00 0.78 H new ATOM 0 HA LEU A 98 -11.975 3.100 -6.755 1.00 0.84 H new ATOM 0 HB2 LEU A 98 -11.340 2.019 -3.993 1.00 1.00 H new ATOM 0 HB3 LEU A 98 -10.321 3.174 -4.829 1.00 1.00 H new ATOM 0 HG LEU A 98 -13.240 3.686 -4.210 1.00 1.40 H new ATOM 0 HD11 LEU A 98 -12.444 5.071 -2.318 1.00 1.70 H new ATOM 0 HD12 LEU A 98 -12.024 3.355 -2.107 1.00 1.70 H new ATOM 0 HD13 LEU A 98 -10.781 4.518 -2.626 1.00 1.70 H new ATOM 0 HD21 LEU A 98 -12.608 6.058 -4.545 1.00 2.08 H new ATOM 0 HD22 LEU A 98 -10.951 5.549 -4.947 1.00 2.08 H new ATOM 0 HD23 LEU A 98 -12.307 5.078 -6.000 1.00 2.08 H new ATOM 1308 N PRO A 99 -10.099 1.761 -7.745 1.00 0.83 N ATOM 1309 CA PRO A 99 -9.029 0.974 -8.356 1.00 0.85 C ATOM 1310 C PRO A 99 -7.789 0.910 -7.472 1.00 0.70 C ATOM 1311 O PRO A 99 -7.243 1.942 -7.073 1.00 0.77 O ATOM 1312 CB PRO A 99 -8.698 1.704 -9.661 1.00 1.15 C ATOM 1313 CG PRO A 99 -9.314 3.064 -9.554 1.00 1.25 C ATOM 1314 CD PRO A 99 -10.363 3.020 -8.470 1.00 1.10 C ATOM 0 HA PRO A 99 -9.345 -0.058 -8.511 1.00 0.85 H new ATOM 0 HB2 PRO A 99 -7.620 1.776 -9.802 1.00 1.15 H new ATOM 0 HB3 PRO A 99 -9.097 1.164 -10.520 1.00 1.15 H new ATOM 0 HG2 PRO A 99 -8.554 3.809 -9.318 1.00 1.25 H new ATOM 0 HG3 PRO A 99 -9.761 3.355 -10.505 1.00 1.25 H new ATOM 0 HD2 PRO A 99 -10.285 3.882 -7.808 1.00 1.10 H new ATOM 0 HD3 PRO A 99 -11.368 3.031 -8.891 1.00 1.10 H new ATOM 1322 N VAL A 100 -7.351 -0.297 -7.160 1.00 0.58 N ATOM 1323 CA VAL A 100 -6.134 -0.478 -6.391 1.00 0.47 C ATOM 1324 C VAL A 100 -4.999 -0.941 -7.303 1.00 0.42 C ATOM 1325 O VAL A 100 -5.149 -1.898 -8.068 1.00 0.50 O ATOM 1326 CB VAL A 100 -6.335 -1.477 -5.221 1.00 0.46 C ATOM 1327 CG1 VAL A 100 -6.781 -2.844 -5.724 1.00 1.30 C ATOM 1328 CG2 VAL A 100 -5.065 -1.596 -4.394 1.00 1.35 C ATOM 0 H VAL A 100 -7.819 -1.163 -7.427 1.00 0.58 H new ATOM 0 HA VAL A 100 -5.870 0.485 -5.954 1.00 0.47 H new ATOM 0 HB VAL A 100 -7.128 -1.086 -4.584 1.00 0.46 H new ATOM 0 HG11 VAL A 100 -6.912 -3.518 -4.878 1.00 1.30 H new ATOM 0 HG12 VAL A 100 -7.726 -2.745 -6.258 1.00 1.30 H new ATOM 0 HG13 VAL A 100 -6.025 -3.249 -6.397 1.00 1.30 H new ATOM 0 HG21 VAL A 100 -5.227 -2.301 -3.579 1.00 1.35 H new ATOM 0 HG22 VAL A 100 -4.251 -1.952 -5.026 1.00 1.35 H new ATOM 0 HG23 VAL A 100 -4.805 -0.620 -3.984 1.00 1.35 H new ATOM 1338 N ARG A 101 -3.874 -0.246 -7.243 1.00 0.43 N ATOM 1339 CA ARG A 101 -2.726 -0.598 -8.061 1.00 0.43 C ATOM 1340 C ARG A 101 -1.854 -1.593 -7.314 1.00 0.40 C ATOM 1341 O ARG A 101 -1.140 -1.232 -6.375 1.00 0.39 O ATOM 1342 CB ARG A 101 -1.923 0.651 -8.430 1.00 0.49 C ATOM 1343 CG ARG A 101 -0.725 0.364 -9.324 1.00 1.20 C ATOM 1344 CD ARG A 101 -0.005 1.643 -9.718 1.00 1.40 C ATOM 1345 NE ARG A 101 1.187 1.380 -10.523 1.00 2.23 N ATOM 1346 CZ ARG A 101 1.899 2.329 -11.132 1.00 2.89 C ATOM 1347 NH1 ARG A 101 1.516 3.596 -11.063 1.00 2.96 N ATOM 1348 NH2 ARG A 101 2.981 2.008 -11.827 1.00 3.87 N ATOM 0 H ARG A 101 -3.732 0.563 -6.638 1.00 0.43 H new ATOM 0 HA ARG A 101 -3.077 -1.057 -8.985 1.00 0.43 H new ATOM 0 HB2 ARG A 101 -2.580 1.359 -8.934 1.00 0.49 H new ATOM 0 HB3 ARG A 101 -1.576 1.133 -7.516 1.00 0.49 H new ATOM 0 HG2 ARG A 101 -0.033 -0.299 -8.805 1.00 1.20 H new ATOM 0 HG3 ARG A 101 -1.056 -0.159 -10.221 1.00 1.20 H new ATOM 0 HD2 ARG A 101 -0.686 2.283 -10.279 1.00 1.40 H new ATOM 0 HD3 ARG A 101 0.279 2.190 -8.819 1.00 1.40 H new ATOM 0 HE ARG A 101 1.492 0.412 -10.625 1.00 2.23 H new ATOM 0 HH11 ARG A 101 0.675 3.847 -10.543 1.00 2.96 H new ATOM 0 HH12 ARG A 101 2.062 4.320 -11.530 1.00 2.96 H new ATOM 0 HH21 ARG A 101 3.271 1.033 -11.897 1.00 3.87 H new ATOM 0 HH22 ARG A 101 3.523 2.736 -12.292 1.00 3.87 H new ATOM 1362 N ILE A 102 -1.933 -2.847 -7.723 1.00 0.43 N ATOM 1363 CA ILE A 102 -1.222 -3.916 -7.049 1.00 0.43 C ATOM 1364 C ILE A 102 0.146 -4.138 -7.672 1.00 0.45 C ATOM 1365 O ILE A 102 0.259 -4.512 -8.842 1.00 0.56 O ATOM 1366 CB ILE A 102 -2.022 -5.235 -7.083 1.00 0.54 C ATOM 1367 CG1 ILE A 102 -3.408 -5.025 -6.465 1.00 0.60 C ATOM 1368 CG2 ILE A 102 -1.266 -6.340 -6.351 1.00 0.60 C ATOM 1369 CD1 ILE A 102 -4.229 -6.291 -6.362 1.00 0.76 C ATOM 0 H ILE A 102 -2.487 -3.150 -8.524 1.00 0.43 H new ATOM 0 HA ILE A 102 -1.096 -3.611 -6.010 1.00 0.43 H new ATOM 0 HB ILE A 102 -2.147 -5.542 -8.121 1.00 0.54 H new ATOM 0 HG12 ILE A 102 -3.290 -4.597 -5.469 1.00 0.60 H new ATOM 0 HG13 ILE A 102 -3.955 -4.296 -7.063 1.00 0.60 H new ATOM 0 HG21 ILE A 102 -1.846 -7.262 -6.386 1.00 0.60 H new ATOM 0 HG22 ILE A 102 -0.301 -6.500 -6.831 1.00 0.60 H new ATOM 0 HG23 ILE A 102 -1.111 -6.048 -5.312 1.00 0.60 H new ATOM 0 HD11 ILE A 102 -5.196 -6.062 -5.915 1.00 0.76 H new ATOM 0 HD12 ILE A 102 -4.379 -6.709 -7.357 1.00 0.76 H new ATOM 0 HD13 ILE A 102 -3.704 -7.015 -5.739 1.00 0.76 H new ATOM 1381 N ARG A 103 1.179 -3.901 -6.887 1.00 0.41 N ATOM 1382 CA ARG A 103 2.545 -4.088 -7.340 1.00 0.50 C ATOM 1383 C ARG A 103 3.281 -5.046 -6.410 1.00 0.43 C ATOM 1384 O ARG A 103 3.484 -4.751 -5.232 1.00 0.53 O ATOM 1385 CB ARG A 103 3.261 -2.732 -7.403 1.00 0.65 C ATOM 1386 CG ARG A 103 4.743 -2.821 -7.738 1.00 1.12 C ATOM 1387 CD ARG A 103 4.991 -3.449 -9.102 1.00 1.27 C ATOM 1388 NE ARG A 103 6.422 -3.563 -9.388 1.00 1.83 N ATOM 1389 CZ ARG A 103 6.939 -4.318 -10.359 1.00 2.44 C ATOM 1390 NH1 ARG A 103 6.147 -5.018 -11.162 1.00 2.64 N ATOM 1391 NH2 ARG A 103 8.256 -4.369 -10.524 1.00 3.34 N ATOM 0 H ARG A 103 1.097 -3.576 -5.924 1.00 0.41 H new ATOM 0 HA ARG A 103 2.536 -4.524 -8.339 1.00 0.50 H new ATOM 0 HB2 ARG A 103 2.769 -2.109 -8.149 1.00 0.65 H new ATOM 0 HB3 ARG A 103 3.147 -2.229 -6.443 1.00 0.65 H new ATOM 0 HG2 ARG A 103 5.179 -1.822 -7.716 1.00 1.12 H new ATOM 0 HG3 ARG A 103 5.251 -3.407 -6.973 1.00 1.12 H new ATOM 0 HD2 ARG A 103 4.532 -4.437 -9.138 1.00 1.27 H new ATOM 0 HD3 ARG A 103 4.512 -2.847 -9.874 1.00 1.27 H new ATOM 0 HE ARG A 103 7.067 -3.029 -8.806 1.00 1.83 H new ATOM 0 HH11 ARG A 103 5.135 -4.981 -11.039 1.00 2.64 H new ATOM 0 HH12 ARG A 103 6.550 -5.593 -11.902 1.00 2.64 H new ATOM 0 HH21 ARG A 103 8.868 -3.832 -9.910 1.00 3.34 H new ATOM 0 HH22 ARG A 103 8.655 -4.945 -11.265 1.00 3.34 H new ATOM 1405 N LYS A 104 3.655 -6.205 -6.935 1.00 0.38 N ATOM 1406 CA LYS A 104 4.412 -7.175 -6.161 1.00 0.39 C ATOM 1407 C LYS A 104 5.882 -6.803 -6.143 1.00 0.37 C ATOM 1408 O LYS A 104 6.548 -6.816 -7.180 1.00 0.46 O ATOM 1409 CB LYS A 104 4.252 -8.593 -6.720 1.00 0.51 C ATOM 1410 CG LYS A 104 2.942 -9.281 -6.364 1.00 0.63 C ATOM 1411 CD LYS A 104 2.935 -10.708 -6.875 1.00 1.06 C ATOM 1412 CE LYS A 104 1.786 -11.511 -6.293 1.00 1.50 C ATOM 1413 NZ LYS A 104 1.882 -12.947 -6.662 1.00 1.91 N ATOM 0 H LYS A 104 3.447 -6.494 -7.891 1.00 0.38 H new ATOM 0 HA LYS A 104 4.017 -7.161 -5.145 1.00 0.39 H new ATOM 0 HB2 LYS A 104 4.340 -8.551 -7.806 1.00 0.51 H new ATOM 0 HB3 LYS A 104 5.077 -9.206 -6.357 1.00 0.51 H new ATOM 0 HG2 LYS A 104 2.804 -9.275 -5.283 1.00 0.63 H new ATOM 0 HG3 LYS A 104 2.106 -8.730 -6.795 1.00 0.63 H new ATOM 0 HD2 LYS A 104 2.861 -10.704 -7.962 1.00 1.06 H new ATOM 0 HD3 LYS A 104 3.880 -11.189 -6.621 1.00 1.06 H new ATOM 0 HE2 LYS A 104 1.785 -11.413 -5.207 1.00 1.50 H new ATOM 0 HE3 LYS A 104 0.840 -11.105 -6.650 1.00 1.50 H new ATOM 0 HZ1 LYS A 104 1.009 -13.437 -6.380 1.00 1.91 H new ATOM 0 HZ2 LYS A 104 2.011 -13.033 -7.690 1.00 1.91 H new ATOM 0 HZ3 LYS A 104 2.693 -13.377 -6.174 1.00 1.91 H new ATOM 1427 N VAL A 105 6.379 -6.470 -4.966 1.00 0.35 N ATOM 1428 CA VAL A 105 7.760 -6.051 -4.813 1.00 0.39 C ATOM 1429 C VAL A 105 8.321 -6.489 -3.477 1.00 0.46 C ATOM 1430 O VAL A 105 7.618 -6.509 -2.468 1.00 0.52 O ATOM 1431 CB VAL A 105 7.917 -4.520 -4.926 1.00 0.43 C ATOM 1432 CG1 VAL A 105 7.759 -4.073 -6.363 1.00 0.43 C ATOM 1433 CG2 VAL A 105 6.915 -3.803 -4.034 1.00 0.55 C ATOM 0 H VAL A 105 5.844 -6.482 -4.098 1.00 0.35 H new ATOM 0 HA VAL A 105 8.312 -6.528 -5.623 1.00 0.39 H new ATOM 0 HB VAL A 105 8.920 -4.259 -4.590 1.00 0.43 H new ATOM 0 HG11 VAL A 105 7.873 -2.991 -6.422 1.00 0.43 H new ATOM 0 HG12 VAL A 105 8.520 -4.552 -6.979 1.00 0.43 H new ATOM 0 HG13 VAL A 105 6.770 -4.354 -6.725 1.00 0.43 H new ATOM 0 HG21 VAL A 105 7.047 -2.725 -4.132 1.00 0.55 H new ATOM 0 HG22 VAL A 105 5.902 -4.074 -4.333 1.00 0.55 H new ATOM 0 HG23 VAL A 105 7.077 -4.095 -2.997 1.00 0.55 H new ATOM 1443 N THR A 106 9.584 -6.861 -3.489 1.00 0.52 N ATOM 1444 CA THR A 106 10.323 -7.049 -2.269 1.00 0.61 C ATOM 1445 C THR A 106 11.774 -6.626 -2.492 1.00 0.58 C ATOM 1446 O THR A 106 12.611 -7.394 -2.973 1.00 0.67 O ATOM 1447 CB THR A 106 10.225 -8.512 -1.766 1.00 0.80 C ATOM 1448 OG1 THR A 106 11.069 -8.710 -0.625 1.00 1.32 O ATOM 1449 CG2 THR A 106 10.587 -9.508 -2.862 1.00 1.64 C ATOM 0 H THR A 106 10.119 -7.039 -4.339 1.00 0.52 H new ATOM 0 HA THR A 106 9.888 -6.424 -1.489 1.00 0.61 H new ATOM 0 HB THR A 106 9.189 -8.689 -1.478 1.00 0.80 H new ATOM 0 HG1 THR A 106 10.516 -8.811 0.177 1.00 1.32 H new ATOM 0 HG21 THR A 106 10.507 -10.523 -2.472 1.00 1.64 H new ATOM 0 HG22 THR A 106 9.904 -9.387 -3.703 1.00 1.64 H new ATOM 0 HG23 THR A 106 11.609 -9.327 -3.195 1.00 1.64 H new ATOM 1457 N SER A 107 12.038 -5.370 -2.156 1.00 0.50 N ATOM 1458 CA SER A 107 13.360 -4.774 -2.249 1.00 0.51 C ATOM 1459 C SER A 107 13.265 -3.313 -1.827 1.00 0.45 C ATOM 1460 O SER A 107 12.270 -2.656 -2.143 1.00 0.44 O ATOM 1461 CB SER A 107 13.921 -4.882 -3.674 1.00 0.56 C ATOM 1462 OG SER A 107 12.972 -4.448 -4.635 1.00 1.36 O ATOM 0 H SER A 107 11.327 -4.728 -1.806 1.00 0.50 H new ATOM 0 HA SER A 107 14.041 -5.311 -1.589 1.00 0.51 H new ATOM 0 HB2 SER A 107 14.827 -4.281 -3.757 1.00 0.56 H new ATOM 0 HB3 SER A 107 14.203 -5.915 -3.879 1.00 0.56 H new ATOM 0 HG SER A 107 13.357 -4.526 -5.533 1.00 1.36 H new ATOM 1468 N PRO A 108 14.253 -2.777 -1.096 1.00 0.47 N ATOM 1469 CA PRO A 108 14.212 -1.381 -0.663 1.00 0.49 C ATOM 1470 C PRO A 108 14.048 -0.416 -1.839 1.00 0.43 C ATOM 1471 O PRO A 108 13.187 0.464 -1.814 1.00 0.47 O ATOM 1472 CB PRO A 108 15.560 -1.160 0.026 1.00 0.63 C ATOM 1473 CG PRO A 108 16.062 -2.523 0.372 1.00 0.69 C ATOM 1474 CD PRO A 108 15.467 -3.474 -0.630 1.00 0.55 C ATOM 0 HA PRO A 108 13.360 -1.190 -0.010 1.00 0.49 H new ATOM 0 HB2 PRO A 108 16.257 -0.641 -0.633 1.00 0.63 H new ATOM 0 HB3 PRO A 108 15.448 -0.545 0.919 1.00 0.63 H new ATOM 0 HG2 PRO A 108 17.151 -2.554 0.335 1.00 0.69 H new ATOM 0 HG3 PRO A 108 15.769 -2.797 1.386 1.00 0.69 H new ATOM 0 HD2 PRO A 108 16.155 -3.672 -1.452 1.00 0.55 H new ATOM 0 HD3 PRO A 108 15.227 -4.436 -0.176 1.00 0.55 H new ATOM 1482 N ASP A 109 14.847 -0.624 -2.882 1.00 0.46 N ATOM 1483 CA ASP A 109 14.891 0.288 -4.026 1.00 0.50 C ATOM 1484 C ASP A 109 13.549 0.371 -4.753 1.00 0.41 C ATOM 1485 O ASP A 109 13.102 1.464 -5.103 1.00 0.44 O ATOM 1486 CB ASP A 109 16.004 -0.111 -5.005 1.00 0.64 C ATOM 1487 CG ASP A 109 15.938 -1.565 -5.433 1.00 1.56 C ATOM 1488 OD1 ASP A 109 16.555 -2.416 -4.750 1.00 2.22 O ATOM 1489 OD2 ASP A 109 15.285 -1.864 -6.452 1.00 2.37 O ATOM 0 H ASP A 109 15.478 -1.422 -2.960 1.00 0.46 H new ATOM 0 HA ASP A 109 15.110 1.279 -3.629 1.00 0.50 H new ATOM 0 HB2 ASP A 109 15.944 0.523 -5.889 1.00 0.64 H new ATOM 0 HB3 ASP A 109 16.972 0.080 -4.541 1.00 0.64 H new ATOM 1494 N GLU A 110 12.900 -0.767 -4.979 1.00 0.38 N ATOM 1495 CA GLU A 110 11.600 -0.766 -5.641 1.00 0.38 C ATOM 1496 C GLU A 110 10.531 -0.140 -4.758 1.00 0.36 C ATOM 1497 O GLU A 110 9.644 0.560 -5.251 1.00 0.42 O ATOM 1498 CB GLU A 110 11.164 -2.175 -6.045 1.00 0.43 C ATOM 1499 CG GLU A 110 11.701 -2.619 -7.394 1.00 0.68 C ATOM 1500 CD GLU A 110 10.717 -3.500 -8.138 1.00 1.32 C ATOM 1501 OE1 GLU A 110 9.803 -2.951 -8.795 1.00 2.01 O ATOM 1502 OE2 GLU A 110 10.845 -4.740 -8.073 1.00 2.12 O ATOM 0 H GLU A 110 13.247 -1.690 -4.718 1.00 0.38 H new ATOM 0 HA GLU A 110 11.713 -0.167 -6.545 1.00 0.38 H new ATOM 0 HB2 GLU A 110 11.495 -2.880 -5.283 1.00 0.43 H new ATOM 0 HB3 GLU A 110 10.075 -2.216 -6.066 1.00 0.43 H new ATOM 0 HG2 GLU A 110 11.931 -1.742 -7.999 1.00 0.68 H new ATOM 0 HG3 GLU A 110 12.636 -3.161 -7.251 1.00 0.68 H new ATOM 1509 N ALA A 111 10.632 -0.364 -3.455 1.00 0.33 N ATOM 1510 CA ALA A 111 9.634 0.141 -2.527 1.00 0.35 C ATOM 1511 C ALA A 111 9.700 1.656 -2.483 1.00 0.34 C ATOM 1512 O ALA A 111 8.679 2.337 -2.418 1.00 0.41 O ATOM 1513 CB ALA A 111 9.841 -0.452 -1.143 1.00 0.38 C ATOM 0 H ALA A 111 11.391 -0.889 -3.020 1.00 0.33 H new ATOM 0 HA ALA A 111 8.644 -0.157 -2.871 1.00 0.35 H new ATOM 0 HB1 ALA A 111 9.084 -0.062 -0.463 1.00 0.38 H new ATOM 0 HB2 ALA A 111 9.756 -1.537 -1.196 1.00 0.38 H new ATOM 0 HB3 ALA A 111 10.832 -0.183 -0.776 1.00 0.38 H new ATOM 1519 N LYS A 112 10.917 2.171 -2.543 1.00 0.32 N ATOM 1520 CA LYS A 112 11.142 3.602 -2.613 1.00 0.34 C ATOM 1521 C LYS A 112 10.603 4.163 -3.922 1.00 0.37 C ATOM 1522 O LYS A 112 9.924 5.189 -3.935 1.00 0.42 O ATOM 1523 CB LYS A 112 12.635 3.896 -2.514 1.00 0.40 C ATOM 1524 CG LYS A 112 13.264 3.429 -1.215 1.00 0.48 C ATOM 1525 CD LYS A 112 14.776 3.422 -1.316 1.00 0.62 C ATOM 1526 CE LYS A 112 15.422 3.065 0.009 1.00 1.11 C ATOM 1527 NZ LYS A 112 16.906 3.096 -0.056 1.00 1.51 N ATOM 0 H LYS A 112 11.770 1.612 -2.544 1.00 0.32 H new ATOM 0 HA LYS A 112 10.619 4.076 -1.782 1.00 0.34 H new ATOM 0 HB2 LYS A 112 13.147 3.416 -3.348 1.00 0.40 H new ATOM 0 HB3 LYS A 112 12.793 4.969 -2.618 1.00 0.40 H new ATOM 0 HG2 LYS A 112 12.953 4.083 -0.400 1.00 0.48 H new ATOM 0 HG3 LYS A 112 12.907 2.428 -0.973 1.00 0.48 H new ATOM 0 HD2 LYS A 112 15.087 2.707 -2.078 1.00 0.62 H new ATOM 0 HD3 LYS A 112 15.124 4.403 -1.639 1.00 0.62 H new ATOM 0 HE2 LYS A 112 15.080 3.761 0.775 1.00 1.11 H new ATOM 0 HE3 LYS A 112 15.095 2.070 0.313 1.00 1.11 H new ATOM 0 HZ1 LYS A 112 17.299 2.878 0.882 1.00 1.51 H new ATOM 0 HZ2 LYS A 112 17.238 2.390 -0.743 1.00 1.51 H new ATOM 0 HZ3 LYS A 112 17.221 4.042 -0.352 1.00 1.51 H new ATOM 1541 N ARG A 113 10.904 3.467 -5.013 1.00 0.38 N ATOM 1542 CA ARG A 113 10.561 3.935 -6.349 1.00 0.46 C ATOM 1543 C ARG A 113 9.059 4.123 -6.520 1.00 0.43 C ATOM 1544 O ARG A 113 8.607 5.222 -6.817 1.00 0.50 O ATOM 1545 CB ARG A 113 11.086 2.968 -7.417 1.00 0.57 C ATOM 1546 CG ARG A 113 10.797 3.430 -8.840 1.00 0.77 C ATOM 1547 CD ARG A 113 11.474 2.532 -9.887 1.00 1.01 C ATOM 1548 NE ARG A 113 11.114 1.119 -9.734 1.00 1.68 N ATOM 1549 CZ ARG A 113 11.525 0.161 -10.568 1.00 2.13 C ATOM 1550 NH1 ARG A 113 12.293 0.467 -11.607 1.00 1.97 N ATOM 1551 NH2 ARG A 113 11.164 -1.102 -10.376 1.00 2.96 N ATOM 0 H ARG A 113 11.389 2.570 -4.996 1.00 0.38 H new ATOM 0 HA ARG A 113 11.039 4.906 -6.476 1.00 0.46 H new ATOM 0 HB2 ARG A 113 12.162 2.849 -7.292 1.00 0.57 H new ATOM 0 HB3 ARG A 113 10.637 1.987 -7.262 1.00 0.57 H new ATOM 0 HG2 ARG A 113 9.720 3.434 -9.008 1.00 0.77 H new ATOM 0 HG3 ARG A 113 11.143 4.456 -8.965 1.00 0.77 H new ATOM 0 HD2 ARG A 113 11.194 2.869 -10.885 1.00 1.01 H new ATOM 0 HD3 ARG A 113 12.556 2.638 -9.807 1.00 1.01 H new ATOM 0 HE ARG A 113 10.518 0.854 -8.949 1.00 1.68 H new ATOM 0 HH11 ARG A 113 12.570 1.435 -11.769 1.00 1.97 H new ATOM 0 HH12 ARG A 113 12.606 -0.266 -12.243 1.00 1.97 H new ATOM 0 HH21 ARG A 113 10.568 -1.347 -9.586 1.00 2.96 H new ATOM 0 HH22 ARG A 113 11.483 -1.827 -11.019 1.00 2.96 H new ATOM 1565 N TRP A 114 8.290 3.063 -6.314 1.00 0.39 N ATOM 1566 CA TRP A 114 6.862 3.091 -6.620 1.00 0.39 C ATOM 1567 C TRP A 114 6.101 4.066 -5.719 1.00 0.40 C ATOM 1568 O TRP A 114 5.231 4.801 -6.190 1.00 0.46 O ATOM 1569 CB TRP A 114 6.267 1.684 -6.529 1.00 0.38 C ATOM 1570 CG TRP A 114 6.884 0.730 -7.507 1.00 0.38 C ATOM 1571 CD1 TRP A 114 7.635 -0.373 -7.219 1.00 0.34 C ATOM 1572 CD2 TRP A 114 6.816 0.807 -8.936 1.00 0.66 C ATOM 1573 NE1 TRP A 114 8.040 -0.985 -8.380 1.00 0.40 N ATOM 1574 CE2 TRP A 114 7.546 -0.282 -9.448 1.00 0.63 C ATOM 1575 CE3 TRP A 114 6.206 1.691 -9.832 1.00 1.00 C ATOM 1576 CZ2 TRP A 114 7.685 -0.508 -10.815 1.00 0.92 C ATOM 1577 CZ3 TRP A 114 6.343 1.464 -11.188 1.00 1.29 C ATOM 1578 CH2 TRP A 114 7.077 0.372 -11.668 1.00 1.25 C ATOM 0 H TRP A 114 8.626 2.176 -5.938 1.00 0.39 H new ATOM 0 HA TRP A 114 6.753 3.451 -7.643 1.00 0.39 H new ATOM 0 HB2 TRP A 114 6.404 1.301 -5.518 1.00 0.38 H new ATOM 0 HB3 TRP A 114 5.193 1.736 -6.707 1.00 0.38 H new ATOM 0 HD1 TRP A 114 7.876 -0.715 -6.223 1.00 0.34 H new ATOM 0 HE1 TRP A 114 8.615 -1.826 -8.438 1.00 0.40 H new ATOM 0 HE3 TRP A 114 5.638 2.536 -9.471 1.00 1.00 H new ATOM 0 HZ2 TRP A 114 8.252 -1.348 -11.188 1.00 0.92 H new ATOM 0 HZ3 TRP A 114 5.876 2.140 -11.889 1.00 1.29 H new ATOM 0 HH2 TRP A 114 7.165 0.221 -12.734 1.00 1.25 H new ATOM 1589 N ILE A 115 6.433 4.077 -4.433 1.00 0.38 N ATOM 1590 CA ILE A 115 5.811 5.003 -3.487 1.00 0.41 C ATOM 1591 C ILE A 115 6.113 6.455 -3.863 1.00 0.47 C ATOM 1592 O ILE A 115 5.231 7.320 -3.823 1.00 0.55 O ATOM 1593 CB ILE A 115 6.286 4.732 -2.038 1.00 0.40 C ATOM 1594 CG1 ILE A 115 5.781 3.365 -1.564 1.00 0.40 C ATOM 1595 CG2 ILE A 115 5.814 5.833 -1.094 1.00 0.45 C ATOM 1596 CD1 ILE A 115 6.246 2.988 -0.174 1.00 0.44 C ATOM 0 H ILE A 115 7.129 3.456 -4.019 1.00 0.38 H new ATOM 0 HA ILE A 115 4.734 4.840 -3.537 1.00 0.41 H new ATOM 0 HB ILE A 115 7.376 4.726 -2.030 1.00 0.40 H new ATOM 0 HG12 ILE A 115 4.691 3.364 -1.585 1.00 0.40 H new ATOM 0 HG13 ILE A 115 6.114 2.602 -2.267 1.00 0.40 H new ATOM 0 HG21 ILE A 115 6.161 5.619 -0.083 1.00 0.45 H new ATOM 0 HG22 ILE A 115 6.219 6.791 -1.421 1.00 0.45 H new ATOM 0 HG23 ILE A 115 4.725 5.877 -1.102 1.00 0.45 H new ATOM 0 HD11 ILE A 115 5.848 2.008 0.090 1.00 0.44 H new ATOM 0 HD12 ILE A 115 7.335 2.955 -0.151 1.00 0.44 H new ATOM 0 HD13 ILE A 115 5.891 3.729 0.542 1.00 0.44 H new ATOM 1608 N LYS A 116 7.353 6.711 -4.256 1.00 0.50 N ATOM 1609 CA LYS A 116 7.778 8.056 -4.617 1.00 0.60 C ATOM 1610 C LYS A 116 7.189 8.446 -5.965 1.00 0.57 C ATOM 1611 O LYS A 116 6.711 9.560 -6.146 1.00 0.69 O ATOM 1612 CB LYS A 116 9.304 8.136 -4.663 1.00 0.73 C ATOM 1613 CG LYS A 116 9.834 9.524 -4.985 1.00 1.18 C ATOM 1614 CD LYS A 116 11.346 9.522 -5.143 1.00 1.85 C ATOM 1615 CE LYS A 116 12.050 9.185 -3.838 1.00 2.50 C ATOM 1616 NZ LYS A 116 11.736 10.164 -2.766 1.00 3.13 N ATOM 0 H LYS A 116 8.084 6.003 -4.333 1.00 0.50 H new ATOM 0 HA LYS A 116 7.416 8.753 -3.861 1.00 0.60 H new ATOM 0 HB2 LYS A 116 9.705 7.818 -3.701 1.00 0.73 H new ATOM 0 HB3 LYS A 116 9.673 7.433 -5.410 1.00 0.73 H new ATOM 0 HG2 LYS A 116 9.372 9.887 -5.903 1.00 1.18 H new ATOM 0 HG3 LYS A 116 9.551 10.215 -4.191 1.00 1.18 H new ATOM 0 HD2 LYS A 116 11.631 8.798 -5.907 1.00 1.85 H new ATOM 0 HD3 LYS A 116 11.676 10.500 -5.492 1.00 1.85 H new ATOM 0 HE2 LYS A 116 11.755 8.187 -3.515 1.00 2.50 H new ATOM 0 HE3 LYS A 116 13.127 9.161 -4.003 1.00 2.50 H new ATOM 0 HZ1 LYS A 116 12.610 10.641 -2.465 1.00 3.13 H new ATOM 0 HZ2 LYS A 116 11.062 10.870 -3.127 1.00 3.13 H new ATOM 0 HZ3 LYS A 116 11.316 9.667 -1.955 1.00 3.13 H new ATOM 1630 N GLU A 117 7.220 7.502 -6.893 1.00 0.53 N ATOM 1631 CA GLU A 117 6.650 7.676 -8.222 1.00 0.58 C ATOM 1632 C GLU A 117 5.178 8.073 -8.131 1.00 0.57 C ATOM 1633 O GLU A 117 4.741 9.041 -8.756 1.00 0.66 O ATOM 1634 CB GLU A 117 6.807 6.360 -8.997 1.00 0.70 C ATOM 1635 CG GLU A 117 5.988 6.266 -10.264 1.00 1.28 C ATOM 1636 CD GLU A 117 6.473 7.203 -11.346 1.00 1.51 C ATOM 1637 OE1 GLU A 117 5.695 8.081 -11.773 1.00 2.14 O ATOM 1638 OE2 GLU A 117 7.639 7.072 -11.772 1.00 1.93 O ATOM 0 H GLU A 117 7.644 6.586 -6.745 1.00 0.53 H new ATOM 0 HA GLU A 117 7.175 8.476 -8.744 1.00 0.58 H new ATOM 0 HB2 GLU A 117 7.859 6.228 -9.251 1.00 0.70 H new ATOM 0 HB3 GLU A 117 6.531 5.534 -8.341 1.00 0.70 H new ATOM 0 HG2 GLU A 117 6.019 5.242 -10.636 1.00 1.28 H new ATOM 0 HG3 GLU A 117 4.946 6.491 -10.035 1.00 1.28 H new ATOM 1645 N PHE A 118 4.433 7.335 -7.319 1.00 0.56 N ATOM 1646 CA PHE A 118 2.998 7.541 -7.170 1.00 0.66 C ATOM 1647 C PHE A 118 2.698 8.956 -6.675 1.00 0.73 C ATOM 1648 O PHE A 118 1.738 9.587 -7.116 1.00 0.88 O ATOM 1649 CB PHE A 118 2.437 6.516 -6.174 1.00 0.73 C ATOM 1650 CG PHE A 118 1.043 6.046 -6.487 1.00 0.69 C ATOM 1651 CD1 PHE A 118 0.766 5.401 -7.683 1.00 1.33 C ATOM 1652 CD2 PHE A 118 0.014 6.230 -5.578 1.00 1.27 C ATOM 1653 CE1 PHE A 118 -0.510 4.952 -7.965 1.00 1.57 C ATOM 1654 CE2 PHE A 118 -1.266 5.786 -5.857 1.00 1.56 C ATOM 1655 CZ PHE A 118 -1.527 5.146 -7.052 1.00 1.41 C ATOM 0 H PHE A 118 4.805 6.578 -6.746 1.00 0.56 H new ATOM 0 HA PHE A 118 2.525 7.411 -8.143 1.00 0.66 H new ATOM 0 HB2 PHE A 118 3.101 5.652 -6.147 1.00 0.73 H new ATOM 0 HB3 PHE A 118 2.444 6.955 -5.176 1.00 0.73 H new ATOM 0 HD1 PHE A 118 1.557 5.248 -8.402 1.00 1.33 H new ATOM 0 HD2 PHE A 118 0.214 6.726 -4.640 1.00 1.27 H new ATOM 0 HE1 PHE A 118 -0.712 4.449 -8.899 1.00 1.57 H new ATOM 0 HE2 PHE A 118 -2.060 5.940 -5.141 1.00 1.56 H new ATOM 0 HZ PHE A 118 -2.525 4.798 -7.272 1.00 1.41 H new ATOM 1665 N SER A 119 3.531 9.452 -5.772 1.00 0.69 N ATOM 1666 CA SER A 119 3.302 10.747 -5.148 1.00 0.80 C ATOM 1667 C SER A 119 3.980 11.876 -5.919 1.00 0.79 C ATOM 1668 O SER A 119 3.646 13.047 -5.735 1.00 0.90 O ATOM 1669 CB SER A 119 3.801 10.717 -3.705 1.00 0.93 C ATOM 1670 OG SER A 119 5.086 10.118 -3.618 1.00 1.20 O ATOM 0 H SER A 119 4.375 8.975 -5.454 1.00 0.69 H new ATOM 0 HA SER A 119 2.230 10.943 -5.161 1.00 0.80 H new ATOM 0 HB2 SER A 119 3.843 11.732 -3.311 1.00 0.93 H new ATOM 0 HB3 SER A 119 3.096 10.163 -3.085 1.00 0.93 H new ATOM 0 HG SER A 119 4.992 9.143 -3.606 1.00 1.20 H new ATOM 1676 N GLU A 120 4.930 11.518 -6.772 1.00 0.81 N ATOM 1677 CA GLU A 120 5.711 12.497 -7.518 1.00 0.96 C ATOM 1678 C GLU A 120 4.812 13.371 -8.386 1.00 1.17 C ATOM 1679 O GLU A 120 4.924 14.599 -8.374 1.00 1.50 O ATOM 1680 CB GLU A 120 6.757 11.783 -8.377 1.00 1.08 C ATOM 1681 CG GLU A 120 7.676 12.728 -9.127 1.00 1.41 C ATOM 1682 CD GLU A 120 8.848 12.015 -9.770 1.00 2.00 C ATOM 1683 OE1 GLU A 120 9.972 12.123 -9.239 1.00 2.45 O ATOM 1684 OE2 GLU A 120 8.652 11.350 -10.811 1.00 2.77 O ATOM 0 H GLU A 120 5.180 10.548 -6.966 1.00 0.81 H new ATOM 0 HA GLU A 120 6.219 13.147 -6.806 1.00 0.96 H new ATOM 0 HB2 GLU A 120 7.358 11.136 -7.739 1.00 1.08 H new ATOM 0 HB3 GLU A 120 6.248 11.140 -9.094 1.00 1.08 H new ATOM 0 HG2 GLU A 120 7.106 13.248 -9.897 1.00 1.41 H new ATOM 0 HG3 GLU A 120 8.050 13.487 -8.440 1.00 1.41 H new ATOM 1691 N GLU A 121 3.909 12.737 -9.113 1.00 1.22 N ATOM 1692 CA GLU A 121 2.991 13.454 -9.977 1.00 1.56 C ATOM 1693 C GLU A 121 1.556 12.995 -9.742 1.00 2.02 C ATOM 1694 O GLU A 121 1.158 11.943 -10.279 1.00 2.60 O ATOM 1695 CB GLU A 121 3.399 13.292 -11.447 1.00 1.96 C ATOM 1696 CG GLU A 121 3.911 11.904 -11.797 1.00 2.47 C ATOM 1697 CD GLU A 121 4.401 11.811 -13.225 1.00 3.35 C ATOM 1698 OE1 GLU A 121 3.768 11.095 -14.031 1.00 4.00 O ATOM 1699 OE2 GLU A 121 5.415 12.458 -13.555 1.00 3.84 O ATOM 1700 OXT GLU A 121 0.830 13.691 -9.004 1.00 2.53 O ATOM 0 H GLU A 121 3.793 11.724 -9.121 1.00 1.22 H new ATOM 0 HA GLU A 121 3.041 14.515 -9.732 1.00 1.56 H new ATOM 0 HB2 GLU A 121 2.541 13.522 -12.079 1.00 1.96 H new ATOM 0 HB3 GLU A 121 4.173 14.023 -11.681 1.00 1.96 H new ATOM 0 HG2 GLU A 121 4.723 11.638 -11.120 1.00 2.47 H new ATOM 0 HG3 GLU A 121 3.114 11.176 -11.641 1.00 2.47 H new