USER MOD reduce.3.24.130724 H: found=0, std=0, add=701, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 698 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 40 SER OG : rot -47:sc= 1.73 USER MOD Set 1.2: A 42 LYS NZ :NH3+ 169:sc= 0.67 (180deg=-0.145) USER MOD Set 1.3: A 43 THR OG1 : rot 180:sc= 0.961 USER MOD Set 2.1: A 26 THR OG1 : rot -93:sc= 1.44 USER MOD Set 2.2: A 68 TYR OH : rot 73:sc= 2.08 USER MOD Set 3.1: A 21 HIS : no HD1:sc= 0.879 K(o=1.1,f=-8!) USER MOD Set 3.2: A 22 SER OG : rot 180:sc= 0.204 USER MOD Set 4.1: A 1 MET N :NH3+ 138:sc= 1.76 (180deg=1.56) USER MOD Set 4.2: A 6 GLN : amide:sc= 1.51 K(o=3.3,f=-6.4) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -169:sc= -0.0106 (180deg=-0.133) USER MOD Single : A 3 LYS NZ :NH3+ -163:sc= 0.933 (180deg=0.673) USER MOD Single : A 8 SER OG : rot 76:sc= 0.976 USER MOD Single : A 15 MET CE :methyl 178:sc= -1.03 (180deg=-1.1) USER MOD Single : A 16 LYS NZ :NH3+ -178:sc= 0.375 (180deg=0.364) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 5:sc= 0.212 USER MOD Single : A 25 ASN : amide:sc= -0.366 K(o=-0.37,f=-12!) USER MOD Single : A 27 ASN : amide:sc= -0.2 X(o=-0.2,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0107) USER MOD Single : A 34 SER OG : rot -77:sc= 1.17 USER MOD Single : A 35 LYS NZ :NH3+ -160:sc= 0.667 (180deg=0.452) USER MOD Single : A 36 THR OG1 : rot -79:sc= 0.99 USER MOD Single : A 37 SER OG : rot 6:sc= 0.259 USER MOD Single : A 38 THR OG1 : rot -44:sc= 0.984 USER MOD Single : A 45 GLN : amide:sc= -0.0115 X(o=-0.011,f=0) USER MOD Single : A 46 THR OG1 : rot 73:sc= 1.18 USER MOD Single : A 47 MET CE :methyl -169:sc= 0 (180deg=-0.106) USER MOD Single : A 53 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0488) USER MOD Single : A 54 LYS NZ :NH3+ 174:sc= 0.599 (180deg=0.567) USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 HIS : no HD1:sc= 0.705 K(o=0.71,f=-3.9!) USER MOD Single : A 60 HIS : no HD1:sc= 0.553 K(o=0.55,f=-3.5!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot -30:sc= 1.23 USER MOD Single : A 71 ASN : amide:sc= 1.12 K(o=1.1,f=-0.079) USER MOD Single : A 75 SER OG : rot 89:sc= 1.1 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ -176:sc= 0.251 (180deg=0.243) USER MOD Single : A 82 SER OG : rot 19:sc= 0.806 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 8.408 11.574 -2.263 1.00 0.00 N ATOM 2 CA MET A 1 9.313 12.594 -2.810 1.00 0.00 C ATOM 3 C MET A 1 9.019 13.883 -2.035 1.00 0.00 C ATOM 4 O MET A 1 8.501 13.774 -0.922 1.00 0.00 O ATOM 5 CB MET A 1 9.180 12.704 -4.341 1.00 0.00 C ATOM 6 CG MET A 1 9.872 11.543 -5.076 1.00 0.00 C ATOM 7 SD MET A 1 9.309 9.856 -4.721 1.00 0.00 S ATOM 8 CE MET A 1 7.794 9.791 -5.702 1.00 0.00 C ATOM 0 H1 MET A 1 8.016 11.005 -3.040 1.00 0.00 H new ATOM 0 H2 MET A 1 8.934 10.956 -1.613 1.00 0.00 H new ATOM 0 H3 MET A 1 7.633 12.038 -1.748 1.00 0.00 H new ATOM 0 HA MET A 1 10.364 12.338 -2.674 1.00 0.00 H new ATOM 0 HB2 MET A 1 8.124 12.723 -4.611 1.00 0.00 H new ATOM 0 HB3 MET A 1 9.611 13.649 -4.673 1.00 0.00 H new ATOM 0 HG2 MET A 1 9.763 11.713 -6.147 1.00 0.00 H new ATOM 0 HG3 MET A 1 10.938 11.594 -4.852 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.329 8.812 -5.588 1.00 0.00 H new ATOM 0 HE2 MET A 1 7.105 10.562 -5.359 1.00 0.00 H new ATOM 0 HE3 MET A 1 8.033 9.959 -6.752 1.00 0.00 H new ATOM 20 N LYS A 2 9.330 15.068 -2.567 1.00 0.00 N ATOM 21 CA LYS A 2 8.968 16.315 -1.909 1.00 0.00 C ATOM 22 C LYS A 2 7.437 16.380 -1.889 1.00 0.00 C ATOM 23 O LYS A 2 6.817 16.204 -2.937 1.00 0.00 O ATOM 24 CB LYS A 2 9.585 17.492 -2.682 1.00 0.00 C ATOM 25 CG LYS A 2 9.231 18.879 -2.123 1.00 0.00 C ATOM 26 CD LYS A 2 9.791 19.107 -0.711 1.00 0.00 C ATOM 27 CE LYS A 2 9.459 20.511 -0.187 1.00 0.00 C ATOM 28 NZ LYS A 2 10.098 21.570 -0.988 1.00 0.00 N ATOM 0 H LYS A 2 9.830 15.185 -3.448 1.00 0.00 H new ATOM 0 HA LYS A 2 9.346 16.368 -0.888 1.00 0.00 H new ATOM 0 HB2 LYS A 2 10.669 17.381 -2.683 1.00 0.00 H new ATOM 0 HB3 LYS A 2 9.258 17.439 -3.721 1.00 0.00 H new ATOM 0 HG2 LYS A 2 9.620 19.646 -2.792 1.00 0.00 H new ATOM 0 HG3 LYS A 2 8.147 18.993 -2.103 1.00 0.00 H new ATOM 0 HD2 LYS A 2 9.381 18.359 -0.032 1.00 0.00 H new ATOM 0 HD3 LYS A 2 10.872 18.969 -0.722 1.00 0.00 H new ATOM 0 HE2 LYS A 2 8.378 20.654 -0.195 1.00 0.00 H new ATOM 0 HE3 LYS A 2 9.784 20.596 0.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 10.003 22.482 -0.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 11.106 21.348 -1.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 9.636 21.628 -1.918 1.00 0.00 H new ATOM 42 N LYS A 3 6.840 16.596 -0.710 1.00 0.00 N ATOM 43 CA LYS A 3 5.398 16.641 -0.474 1.00 0.00 C ATOM 44 C LYS A 3 4.753 15.267 -0.690 1.00 0.00 C ATOM 45 O LYS A 3 4.251 14.664 0.256 1.00 0.00 O ATOM 46 CB LYS A 3 4.718 17.766 -1.286 1.00 0.00 C ATOM 47 CG LYS A 3 3.180 17.716 -1.297 1.00 0.00 C ATOM 48 CD LYS A 3 2.553 17.806 0.103 1.00 0.00 C ATOM 49 CE LYS A 3 1.038 17.560 0.054 1.00 0.00 C ATOM 50 NZ LYS A 3 0.343 18.510 -0.832 1.00 0.00 N ATOM 0 H LYS A 3 7.378 16.751 0.143 1.00 0.00 H new ATOM 0 HA LYS A 3 5.239 16.893 0.574 1.00 0.00 H new ATOM 0 HB2 LYS A 3 5.033 18.728 -0.882 1.00 0.00 H new ATOM 0 HB3 LYS A 3 5.076 17.720 -2.314 1.00 0.00 H new ATOM 0 HG2 LYS A 3 2.802 18.535 -1.909 1.00 0.00 H new ATOM 0 HG3 LYS A 3 2.858 16.789 -1.772 1.00 0.00 H new ATOM 0 HD2 LYS A 3 3.021 17.074 0.761 1.00 0.00 H new ATOM 0 HD3 LYS A 3 2.750 18.790 0.529 1.00 0.00 H new ATOM 0 HE2 LYS A 3 0.849 16.543 -0.289 1.00 0.00 H new ATOM 0 HE3 LYS A 3 0.627 17.639 1.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -0.675 18.501 -0.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 0.720 19.467 -0.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 0.492 18.233 -1.823 1.00 0.00 H new ATOM 64 N ILE A 4 4.740 14.781 -1.931 1.00 0.00 N ATOM 65 CA ILE A 4 4.111 13.516 -2.278 1.00 0.00 C ATOM 66 C ILE A 4 4.808 12.348 -1.559 1.00 0.00 C ATOM 67 O ILE A 4 6.007 12.434 -1.279 1.00 0.00 O ATOM 68 CB ILE A 4 4.059 13.355 -3.813 1.00 0.00 C ATOM 69 CG1 ILE A 4 5.449 13.154 -4.437 1.00 0.00 C ATOM 70 CG2 ILE A 4 3.346 14.568 -4.427 1.00 0.00 C ATOM 71 CD1 ILE A 4 5.380 12.918 -5.949 1.00 0.00 C ATOM 0 H ILE A 4 5.168 15.259 -2.724 1.00 0.00 H new ATOM 0 HA ILE A 4 3.078 13.509 -1.929 1.00 0.00 H new ATOM 0 HB ILE A 4 3.497 12.448 -4.036 1.00 0.00 H new ATOM 0 HG12 ILE A 4 6.065 14.031 -4.236 1.00 0.00 H new ATOM 0 HG13 ILE A 4 5.939 12.305 -3.961 1.00 0.00 H new ATOM 0 HG21 ILE A 4 3.308 14.457 -5.511 1.00 0.00 H new ATOM 0 HG22 ILE A 4 2.332 14.632 -4.033 1.00 0.00 H new ATOM 0 HG23 ILE A 4 3.892 15.477 -4.174 1.00 0.00 H new ATOM 0 HD11 ILE A 4 6.387 12.782 -6.342 1.00 0.00 H new ATOM 0 HD12 ILE A 4 4.788 12.026 -6.151 1.00 0.00 H new ATOM 0 HD13 ILE A 4 4.916 13.779 -6.431 1.00 0.00 H new ATOM 83 N PRO A 5 4.087 11.253 -1.262 1.00 0.00 N ATOM 84 CA PRO A 5 4.604 10.071 -0.574 1.00 0.00 C ATOM 85 C PRO A 5 5.905 9.535 -1.176 1.00 0.00 C ATOM 86 O PRO A 5 6.237 9.800 -2.337 1.00 0.00 O ATOM 87 CB PRO A 5 3.468 9.041 -0.579 1.00 0.00 C ATOM 88 CG PRO A 5 2.497 9.563 -1.639 1.00 0.00 C ATOM 89 CD PRO A 5 2.676 11.069 -1.543 1.00 0.00 C ATOM 0 HA PRO A 5 4.892 10.322 0.447 1.00 0.00 H new ATOM 0 HB2 PRO A 5 3.834 8.045 -0.829 1.00 0.00 H new ATOM 0 HB3 PRO A 5 2.991 8.969 0.398 1.00 0.00 H new ATOM 0 HG2 PRO A 5 2.743 9.189 -2.633 1.00 0.00 H new ATOM 0 HG3 PRO A 5 1.470 9.263 -1.430 1.00 0.00 H new ATOM 0 HD2 PRO A 5 2.389 11.562 -2.472 1.00 0.00 H new ATOM 0 HD3 PRO A 5 2.056 11.492 -0.753 1.00 0.00 H new ATOM 97 N GLN A 6 6.678 8.788 -0.378 1.00 0.00 N ATOM 98 CA GLN A 6 7.973 8.287 -0.806 1.00 0.00 C ATOM 99 C GLN A 6 7.818 7.024 -1.675 1.00 0.00 C ATOM 100 O GLN A 6 8.405 5.985 -1.390 1.00 0.00 O ATOM 101 CB GLN A 6 8.955 8.129 0.370 1.00 0.00 C ATOM 102 CG GLN A 6 8.922 9.300 1.373 1.00 0.00 C ATOM 103 CD GLN A 6 9.122 10.651 0.691 1.00 0.00 C ATOM 104 OE1 GLN A 6 9.982 10.789 -0.174 1.00 0.00 O ATOM 105 NE2 GLN A 6 8.284 11.643 0.978 1.00 0.00 N ATOM 0 H GLN A 6 6.419 8.521 0.572 1.00 0.00 H new ATOM 0 HA GLN A 6 8.434 9.038 -1.448 1.00 0.00 H new ATOM 0 HB2 GLN A 6 8.727 7.204 0.899 1.00 0.00 H new ATOM 0 HB3 GLN A 6 9.966 8.030 -0.025 1.00 0.00 H new ATOM 0 HG2 GLN A 6 7.967 9.299 1.899 1.00 0.00 H new ATOM 0 HG3 GLN A 6 9.699 9.155 2.123 1.00 0.00 H new ATOM 0 HE21 GLN A 6 7.573 11.518 1.699 1.00 0.00 H new ATOM 0 HE22 GLN A 6 8.352 12.529 0.477 1.00 0.00 H new ATOM 114 N ILE A 7 7.045 7.124 -2.761 1.00 0.00 N ATOM 115 CA ILE A 7 6.687 5.984 -3.604 1.00 0.00 C ATOM 116 C ILE A 7 7.793 5.599 -4.590 1.00 0.00 C ATOM 117 O ILE A 7 8.587 6.434 -5.019 1.00 0.00 O ATOM 118 CB ILE A 7 5.367 6.286 -4.347 1.00 0.00 C ATOM 119 CG1 ILE A 7 4.219 6.630 -3.385 1.00 0.00 C ATOM 120 CG2 ILE A 7 4.920 5.150 -5.280 1.00 0.00 C ATOM 121 CD1 ILE A 7 3.901 5.516 -2.383 1.00 0.00 C ATOM 0 H ILE A 7 6.648 8.007 -3.081 1.00 0.00 H new ATOM 0 HA ILE A 7 6.553 5.122 -2.950 1.00 0.00 H new ATOM 0 HB ILE A 7 5.592 7.159 -4.960 1.00 0.00 H new ATOM 0 HG12 ILE A 7 4.475 7.537 -2.837 1.00 0.00 H new ATOM 0 HG13 ILE A 7 3.324 6.851 -3.966 1.00 0.00 H new ATOM 0 HG21 ILE A 7 3.987 5.428 -5.770 1.00 0.00 H new ATOM 0 HG22 ILE A 7 5.688 4.975 -6.034 1.00 0.00 H new ATOM 0 HG23 ILE A 7 4.768 4.240 -4.699 1.00 0.00 H new ATOM 0 HD11 ILE A 7 3.081 5.830 -1.738 1.00 0.00 H new ATOM 0 HD12 ILE A 7 3.613 4.613 -2.922 1.00 0.00 H new ATOM 0 HD13 ILE A 7 4.782 5.310 -1.776 1.00 0.00 H new ATOM 133 N SER A 8 7.795 4.312 -4.950 1.00 0.00 N ATOM 134 CA SER A 8 8.666 3.648 -5.907 1.00 0.00 C ATOM 135 C SER A 8 7.775 2.778 -6.808 1.00 0.00 C ATOM 136 O SER A 8 6.638 2.481 -6.439 1.00 0.00 O ATOM 137 CB SER A 8 9.692 2.786 -5.157 1.00 0.00 C ATOM 138 OG SER A 8 10.181 3.453 -4.008 1.00 0.00 O ATOM 0 H SER A 8 7.128 3.658 -4.541 1.00 0.00 H new ATOM 0 HA SER A 8 9.216 4.370 -6.510 1.00 0.00 H new ATOM 0 HB2 SER A 8 9.233 1.842 -4.864 1.00 0.00 H new ATOM 0 HB3 SER A 8 10.522 2.544 -5.821 1.00 0.00 H new ATOM 0 HG SER A 8 9.501 3.431 -3.303 1.00 0.00 H new ATOM 144 N ASP A 9 8.289 2.334 -7.960 1.00 0.00 N ATOM 145 CA ASP A 9 7.535 1.552 -8.943 1.00 0.00 C ATOM 146 C ASP A 9 6.736 0.394 -8.327 1.00 0.00 C ATOM 147 O ASP A 9 5.509 0.402 -8.360 1.00 0.00 O ATOM 148 CB ASP A 9 8.480 1.053 -10.042 1.00 0.00 C ATOM 149 CG ASP A 9 7.737 0.188 -11.057 1.00 0.00 C ATOM 150 OD1 ASP A 9 7.100 0.784 -11.951 1.00 0.00 O ATOM 151 OD2 ASP A 9 7.818 -1.051 -10.911 1.00 0.00 O ATOM 0 H ASP A 9 9.254 2.511 -8.239 1.00 0.00 H new ATOM 0 HA ASP A 9 6.789 2.218 -9.377 1.00 0.00 H new ATOM 0 HB2 ASP A 9 8.934 1.904 -10.549 1.00 0.00 H new ATOM 0 HB3 ASP A 9 9.291 0.478 -9.595 1.00 0.00 H new ATOM 156 N ALA A 10 7.422 -0.604 -7.762 1.00 0.00 N ATOM 157 CA ALA A 10 6.764 -1.767 -7.173 1.00 0.00 C ATOM 158 C ALA A 10 5.742 -1.349 -6.112 1.00 0.00 C ATOM 159 O ALA A 10 4.638 -1.886 -6.051 1.00 0.00 O ATOM 160 CB ALA A 10 7.812 -2.711 -6.580 1.00 0.00 C ATOM 0 H ALA A 10 8.440 -0.626 -7.702 1.00 0.00 H new ATOM 0 HA ALA A 10 6.221 -2.292 -7.959 1.00 0.00 H new ATOM 0 HB1 ALA A 10 7.315 -3.577 -6.142 1.00 0.00 H new ATOM 0 HB2 ALA A 10 8.491 -3.041 -7.366 1.00 0.00 H new ATOM 0 HB3 ALA A 10 8.378 -2.188 -5.809 1.00 0.00 H new ATOM 166 N GLU A 11 6.111 -0.370 -5.284 1.00 0.00 N ATOM 167 CA GLU A 11 5.245 0.140 -4.235 1.00 0.00 C ATOM 168 C GLU A 11 3.940 0.661 -4.843 1.00 0.00 C ATOM 169 O GLU A 11 2.863 0.419 -4.303 1.00 0.00 O ATOM 170 CB GLU A 11 5.974 1.220 -3.427 1.00 0.00 C ATOM 171 CG GLU A 11 7.265 0.670 -2.796 1.00 0.00 C ATOM 172 CD GLU A 11 8.064 1.734 -2.049 1.00 0.00 C ATOM 173 OE1 GLU A 11 7.949 2.919 -2.429 1.00 0.00 O ATOM 174 OE2 GLU A 11 8.813 1.334 -1.134 1.00 0.00 O ATOM 0 H GLU A 11 7.021 0.088 -5.327 1.00 0.00 H new ATOM 0 HA GLU A 11 4.990 -0.666 -3.547 1.00 0.00 H new ATOM 0 HB2 GLU A 11 6.214 2.063 -4.076 1.00 0.00 H new ATOM 0 HB3 GLU A 11 5.316 1.598 -2.644 1.00 0.00 H new ATOM 0 HG2 GLU A 11 7.011 -0.136 -2.108 1.00 0.00 H new ATOM 0 HG3 GLU A 11 7.889 0.237 -3.578 1.00 0.00 H new ATOM 181 N LEU A 12 4.021 1.357 -5.981 1.00 0.00 N ATOM 182 CA LEU A 12 2.830 1.866 -6.643 1.00 0.00 C ATOM 183 C LEU A 12 1.858 0.729 -6.994 1.00 0.00 C ATOM 184 O LEU A 12 0.645 0.925 -6.957 1.00 0.00 O ATOM 185 CB LEU A 12 3.210 2.706 -7.870 1.00 0.00 C ATOM 186 CG LEU A 12 2.021 3.455 -8.497 1.00 0.00 C ATOM 187 CD1 LEU A 12 1.378 4.455 -7.526 1.00 0.00 C ATOM 188 CD2 LEU A 12 2.516 4.198 -9.743 1.00 0.00 C ATOM 0 H LEU A 12 4.897 1.577 -6.456 1.00 0.00 H new ATOM 0 HA LEU A 12 2.305 2.523 -5.950 1.00 0.00 H new ATOM 0 HB2 LEU A 12 3.973 3.429 -7.582 1.00 0.00 H new ATOM 0 HB3 LEU A 12 3.655 2.055 -8.622 1.00 0.00 H new ATOM 0 HG LEU A 12 1.257 2.721 -8.754 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.545 4.956 -8.019 1.00 0.00 H new ATOM 0 HD12 LEU A 12 1.014 3.925 -6.646 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.118 5.195 -7.223 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.685 4.735 -10.201 1.00 0.00 H new ATOM 0 HD22 LEU A 12 3.294 4.907 -9.459 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.922 3.481 -10.457 1.00 0.00 H new ATOM 200 N GLU A 13 2.358 -0.470 -7.318 1.00 0.00 N ATOM 201 CA GLU A 13 1.492 -1.599 -7.628 1.00 0.00 C ATOM 202 C GLU A 13 0.680 -2.005 -6.398 1.00 0.00 C ATOM 203 O GLU A 13 -0.538 -2.176 -6.478 1.00 0.00 O ATOM 204 CB GLU A 13 2.319 -2.782 -8.143 1.00 0.00 C ATOM 205 CG GLU A 13 3.161 -2.402 -9.369 1.00 0.00 C ATOM 206 CD GLU A 13 2.297 -1.913 -10.530 1.00 0.00 C ATOM 207 OE1 GLU A 13 1.302 -2.608 -10.835 1.00 0.00 O ATOM 208 OE2 GLU A 13 2.631 -0.842 -11.081 1.00 0.00 O ATOM 0 H GLU A 13 3.356 -0.676 -7.370 1.00 0.00 H new ATOM 0 HA GLU A 13 0.798 -1.297 -8.412 1.00 0.00 H new ATOM 0 HB2 GLU A 13 2.975 -3.139 -7.349 1.00 0.00 H new ATOM 0 HB3 GLU A 13 1.653 -3.605 -8.401 1.00 0.00 H new ATOM 0 HG2 GLU A 13 3.871 -1.623 -9.093 1.00 0.00 H new ATOM 0 HG3 GLU A 13 3.744 -3.265 -9.690 1.00 0.00 H new ATOM 215 N VAL A 14 1.347 -2.168 -5.250 1.00 0.00 N ATOM 216 CA VAL A 14 0.627 -2.542 -4.043 1.00 0.00 C ATOM 217 C VAL A 14 -0.341 -1.417 -3.670 1.00 0.00 C ATOM 218 O VAL A 14 -1.485 -1.680 -3.308 1.00 0.00 O ATOM 219 CB VAL A 14 1.561 -2.995 -2.906 1.00 0.00 C ATOM 220 CG1 VAL A 14 2.625 -3.968 -3.436 1.00 0.00 C ATOM 221 CG2 VAL A 14 2.255 -1.893 -2.105 1.00 0.00 C ATOM 0 H VAL A 14 2.354 -2.050 -5.138 1.00 0.00 H new ATOM 0 HA VAL A 14 0.029 -3.432 -4.237 1.00 0.00 H new ATOM 0 HB VAL A 14 0.882 -3.475 -2.202 1.00 0.00 H new ATOM 0 HG11 VAL A 14 3.275 -4.277 -2.618 1.00 0.00 H new ATOM 0 HG12 VAL A 14 2.137 -4.844 -3.862 1.00 0.00 H new ATOM 0 HG13 VAL A 14 3.219 -3.474 -4.205 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.883 -2.343 -1.336 1.00 0.00 H new ATOM 0 HG22 VAL A 14 2.873 -1.292 -2.772 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.505 -1.257 -1.635 1.00 0.00 H new ATOM 231 N MET A 15 0.098 -0.161 -3.807 1.00 0.00 N ATOM 232 CA MET A 15 -0.740 1.001 -3.555 1.00 0.00 C ATOM 233 C MET A 15 -2.011 0.941 -4.399 1.00 0.00 C ATOM 234 O MET A 15 -3.105 1.137 -3.879 1.00 0.00 O ATOM 235 CB MET A 15 0.037 2.276 -3.867 1.00 0.00 C ATOM 236 CG MET A 15 1.196 2.522 -2.896 1.00 0.00 C ATOM 237 SD MET A 15 0.848 3.774 -1.638 1.00 0.00 S ATOM 238 CE MET A 15 -0.765 3.258 -1.010 1.00 0.00 C ATOM 0 H MET A 15 1.048 0.072 -4.097 1.00 0.00 H new ATOM 0 HA MET A 15 -1.026 1.004 -2.503 1.00 0.00 H new ATOM 0 HB2 MET A 15 0.427 2.218 -4.883 1.00 0.00 H new ATOM 0 HB3 MET A 15 -0.644 3.127 -3.835 1.00 0.00 H new ATOM 0 HG2 MET A 15 1.447 1.584 -2.401 1.00 0.00 H new ATOM 0 HG3 MET A 15 2.074 2.827 -3.465 1.00 0.00 H new ATOM 0 HE1 MET A 15 -1.073 3.927 -0.206 1.00 0.00 H new ATOM 0 HE2 MET A 15 -1.498 3.297 -1.815 1.00 0.00 H new ATOM 0 HE3 MET A 15 -0.698 2.239 -0.629 1.00 0.00 H new ATOM 248 N LYS A 16 -1.866 0.677 -5.697 1.00 0.00 N ATOM 249 CA LYS A 16 -2.978 0.536 -6.622 1.00 0.00 C ATOM 250 C LYS A 16 -3.949 -0.523 -6.101 1.00 0.00 C ATOM 251 O LYS A 16 -5.145 -0.258 -5.977 1.00 0.00 O ATOM 252 CB LYS A 16 -2.409 0.202 -8.004 1.00 0.00 C ATOM 253 CG LYS A 16 -3.469 -0.061 -9.079 1.00 0.00 C ATOM 254 CD LYS A 16 -2.876 0.041 -10.495 1.00 0.00 C ATOM 255 CE LYS A 16 -1.551 -0.712 -10.691 1.00 0.00 C ATOM 256 NZ LYS A 16 -1.651 -2.140 -10.341 1.00 0.00 N ATOM 0 H LYS A 16 -0.955 0.554 -6.138 1.00 0.00 H new ATOM 0 HA LYS A 16 -3.548 1.461 -6.707 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.774 1.026 -8.331 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -1.771 -0.677 -7.918 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -3.897 -1.053 -8.934 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -4.283 0.656 -8.972 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.605 -0.343 -11.208 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -2.719 1.093 -10.734 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -1.235 -0.618 -11.730 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -0.779 -0.245 -10.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -0.722 -2.592 -10.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -1.959 -2.234 -9.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -2.343 -2.603 -10.965 1.00 0.00 H new ATOM 270 N VAL A 17 -3.439 -1.716 -5.780 1.00 0.00 N ATOM 271 CA VAL A 17 -4.261 -2.778 -5.221 1.00 0.00 C ATOM 272 C VAL A 17 -5.006 -2.278 -3.975 1.00 0.00 C ATOM 273 O VAL A 17 -6.213 -2.478 -3.864 1.00 0.00 O ATOM 274 CB VAL A 17 -3.393 -4.019 -4.949 1.00 0.00 C ATOM 275 CG1 VAL A 17 -4.069 -4.943 -3.939 1.00 0.00 C ATOM 276 CG2 VAL A 17 -3.153 -4.801 -6.246 1.00 0.00 C ATOM 0 H VAL A 17 -2.457 -1.965 -5.901 1.00 0.00 H new ATOM 0 HA VAL A 17 -5.026 -3.074 -5.939 1.00 0.00 H new ATOM 0 HB VAL A 17 -2.441 -3.674 -4.545 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -3.437 -5.813 -3.762 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -4.221 -4.408 -3.001 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -5.033 -5.268 -4.331 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.537 -5.675 -6.035 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -4.109 -5.122 -6.660 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.642 -4.163 -6.966 1.00 0.00 H new ATOM 286 N ILE A 18 -4.305 -1.637 -3.035 1.00 0.00 N ATOM 287 CA ILE A 18 -4.929 -1.112 -1.829 1.00 0.00 C ATOM 288 C ILE A 18 -6.060 -0.146 -2.206 1.00 0.00 C ATOM 289 O ILE A 18 -7.206 -0.362 -1.818 1.00 0.00 O ATOM 290 CB ILE A 18 -3.870 -0.458 -0.919 1.00 0.00 C ATOM 291 CG1 ILE A 18 -2.848 -1.488 -0.401 1.00 0.00 C ATOM 292 CG2 ILE A 18 -4.556 0.211 0.281 1.00 0.00 C ATOM 293 CD1 ILE A 18 -1.497 -0.848 -0.073 1.00 0.00 C ATOM 0 H ILE A 18 -3.300 -1.471 -3.092 1.00 0.00 H new ATOM 0 HA ILE A 18 -5.374 -1.928 -1.259 1.00 0.00 H new ATOM 0 HB ILE A 18 -3.339 0.284 -1.515 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -3.244 -1.973 0.491 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -2.707 -2.266 -1.151 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -3.803 0.671 0.920 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -5.247 0.976 -0.075 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -5.106 -0.539 0.850 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -0.810 -1.613 0.288 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -1.086 -0.386 -0.970 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -1.632 -0.089 0.697 1.00 0.00 H new ATOM 305 N TRP A 19 -5.747 0.902 -2.972 1.00 0.00 N ATOM 306 CA TRP A 19 -6.700 1.923 -3.393 1.00 0.00 C ATOM 307 C TRP A 19 -7.883 1.352 -4.179 1.00 0.00 C ATOM 308 O TRP A 19 -8.961 1.941 -4.164 1.00 0.00 O ATOM 309 CB TRP A 19 -5.979 3.023 -4.184 1.00 0.00 C ATOM 310 CG TRP A 19 -5.073 3.925 -3.396 1.00 0.00 C ATOM 311 CD1 TRP A 19 -5.381 4.491 -2.205 1.00 0.00 C ATOM 312 CD2 TRP A 19 -3.774 4.483 -3.770 1.00 0.00 C ATOM 313 NE1 TRP A 19 -4.362 5.323 -1.794 1.00 0.00 N ATOM 314 CE2 TRP A 19 -3.351 5.359 -2.727 1.00 0.00 C ATOM 315 CE3 TRP A 19 -2.911 4.360 -4.884 1.00 0.00 C ATOM 316 CZ2 TRP A 19 -2.136 6.051 -2.773 1.00 0.00 C ATOM 317 CZ3 TRP A 19 -1.734 5.127 -4.980 1.00 0.00 C ATOM 318 CH2 TRP A 19 -1.322 5.937 -3.908 1.00 0.00 C ATOM 0 H TRP A 19 -4.803 1.065 -3.322 1.00 0.00 H new ATOM 0 HA TRP A 19 -7.128 2.358 -2.490 1.00 0.00 H new ATOM 0 HB2 TRP A 19 -5.391 2.549 -4.970 1.00 0.00 H new ATOM 0 HB3 TRP A 19 -6.731 3.639 -4.676 1.00 0.00 H new ATOM 0 HD1 TRP A 19 -6.294 4.316 -1.656 1.00 0.00 H new ATOM 0 HE1 TRP A 19 -4.358 5.842 -0.916 1.00 0.00 H new ATOM 0 HE3 TRP A 19 -3.159 3.666 -5.674 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 -1.828 6.667 -1.941 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 -1.144 5.093 -5.884 1.00 0.00 H new ATOM 0 HH2 TRP A 19 -0.383 6.469 -3.959 1.00 0.00 H new ATOM 329 N LYS A 20 -7.702 0.232 -4.884 1.00 0.00 N ATOM 330 CA LYS A 20 -8.808 -0.412 -5.583 1.00 0.00 C ATOM 331 C LYS A 20 -9.885 -0.867 -4.582 1.00 0.00 C ATOM 332 O LYS A 20 -11.056 -0.965 -4.945 1.00 0.00 O ATOM 333 CB LYS A 20 -8.270 -1.572 -6.438 1.00 0.00 C ATOM 334 CG LYS A 20 -9.331 -2.309 -7.269 1.00 0.00 C ATOM 335 CD LYS A 20 -10.070 -1.381 -8.241 1.00 0.00 C ATOM 336 CE LYS A 20 -10.984 -2.197 -9.162 1.00 0.00 C ATOM 337 NZ LYS A 20 -11.729 -1.325 -10.086 1.00 0.00 N ATOM 0 H LYS A 20 -6.804 -0.242 -4.983 1.00 0.00 H new ATOM 0 HA LYS A 20 -9.286 0.300 -6.255 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -7.507 -1.184 -7.112 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -7.780 -2.291 -5.782 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -8.854 -3.112 -7.831 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -10.053 -2.775 -6.598 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -10.660 -0.654 -7.683 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -9.350 -0.819 -8.836 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -10.387 -2.909 -9.732 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -11.685 -2.777 -8.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -12.339 -1.906 -10.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -12.316 -0.662 -9.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -11.059 -0.790 -10.675 1.00 0.00 H new ATOM 351 N HIS A 21 -9.492 -1.164 -3.338 1.00 0.00 N ATOM 352 CA HIS A 21 -10.376 -1.581 -2.255 1.00 0.00 C ATOM 353 C HIS A 21 -10.629 -0.370 -1.334 1.00 0.00 C ATOM 354 O HIS A 21 -10.027 0.684 -1.529 1.00 0.00 O ATOM 355 CB HIS A 21 -9.691 -2.759 -1.546 1.00 0.00 C ATOM 356 CG HIS A 21 -10.596 -3.649 -0.728 1.00 0.00 C ATOM 357 ND1 HIS A 21 -11.872 -3.257 -0.316 1.00 0.00 N ATOM 358 CD2 HIS A 21 -10.366 -4.924 -0.285 1.00 0.00 C ATOM 359 CE1 HIS A 21 -12.337 -4.292 0.390 1.00 0.00 C ATOM 360 NE2 HIS A 21 -11.475 -5.321 0.431 1.00 0.00 N ATOM 0 H HIS A 21 -8.514 -1.117 -3.053 1.00 0.00 H new ATOM 0 HA HIS A 21 -11.353 -1.916 -2.603 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -9.193 -3.371 -2.298 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -8.914 -2.363 -0.892 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -9.478 -5.512 -0.464 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -13.302 -4.300 0.875 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -11.613 -6.217 0.898 1.00 0.00 H new ATOM 368 N SER A 22 -11.526 -0.467 -0.344 1.00 0.00 N ATOM 369 CA SER A 22 -11.797 0.648 0.566 1.00 0.00 C ATOM 370 C SER A 22 -10.546 0.867 1.417 1.00 0.00 C ATOM 371 O SER A 22 -9.966 1.950 1.472 1.00 0.00 O ATOM 372 CB SER A 22 -13.010 0.281 1.427 1.00 0.00 C ATOM 373 OG SER A 22 -12.867 -1.046 1.910 1.00 0.00 O ATOM 0 H SER A 22 -12.074 -1.306 -0.155 1.00 0.00 H new ATOM 0 HA SER A 22 -12.025 1.570 0.031 1.00 0.00 H new ATOM 0 HB2 SER A 22 -13.099 0.975 2.263 1.00 0.00 H new ATOM 0 HB3 SER A 22 -13.925 0.369 0.841 1.00 0.00 H new ATOM 0 HG SER A 22 -13.643 -1.279 2.462 1.00 0.00 H new ATOM 379 N SER A 23 -10.169 -0.173 2.149 1.00 0.00 N ATOM 380 CA SER A 23 -8.814 -0.346 2.640 1.00 0.00 C ATOM 381 C SER A 23 -8.495 -1.793 2.252 1.00 0.00 C ATOM 382 O SER A 23 -9.217 -2.339 1.424 1.00 0.00 O ATOM 383 CB SER A 23 -8.800 -0.037 4.137 1.00 0.00 C ATOM 384 OG SER A 23 -9.048 1.348 4.298 1.00 0.00 O ATOM 0 H SER A 23 -10.803 -0.925 2.419 1.00 0.00 H new ATOM 0 HA SER A 23 -8.053 0.317 2.228 1.00 0.00 H new ATOM 0 HB2 SER A 23 -9.559 -0.623 4.655 1.00 0.00 H new ATOM 0 HB3 SER A 23 -7.838 -0.306 4.573 1.00 0.00 H new ATOM 0 HG SER A 23 -9.239 1.750 3.425 1.00 0.00 H new ATOM 390 N ILE A 24 -7.555 -2.496 2.884 1.00 0.00 N ATOM 391 CA ILE A 24 -7.379 -3.913 2.574 1.00 0.00 C ATOM 392 C ILE A 24 -6.835 -4.654 3.791 1.00 0.00 C ATOM 393 O ILE A 24 -5.996 -4.091 4.499 1.00 0.00 O ATOM 394 CB ILE A 24 -6.589 -4.083 1.262 1.00 0.00 C ATOM 395 CG1 ILE A 24 -6.616 -5.535 0.771 1.00 0.00 C ATOM 396 CG2 ILE A 24 -5.154 -3.582 1.410 1.00 0.00 C ATOM 397 CD1 ILE A 24 -6.311 -5.644 -0.728 1.00 0.00 C ATOM 0 H ILE A 24 -6.922 -2.122 3.591 1.00 0.00 H new ATOM 0 HA ILE A 24 -8.337 -4.391 2.371 1.00 0.00 H new ATOM 0 HB ILE A 24 -7.081 -3.471 0.506 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -5.887 -6.120 1.332 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -7.596 -5.967 0.973 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -4.623 -3.716 0.468 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -5.163 -2.525 1.675 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -4.650 -4.148 2.194 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -6.341 -6.691 -1.030 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -7.055 -5.082 -1.292 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -5.320 -5.237 -0.928 1.00 0.00 H new ATOM 409 N ASN A 25 -7.304 -5.883 4.049 1.00 0.00 N ATOM 410 CA ASN A 25 -6.796 -6.695 5.153 1.00 0.00 C ATOM 411 C ASN A 25 -5.581 -7.478 4.665 1.00 0.00 C ATOM 412 O ASN A 25 -5.435 -7.699 3.465 1.00 0.00 O ATOM 413 CB ASN A 25 -7.898 -7.545 5.814 1.00 0.00 C ATOM 414 CG ASN A 25 -8.211 -8.882 5.146 1.00 0.00 C ATOM 415 OD1 ASN A 25 -7.321 -9.631 4.757 1.00 0.00 O ATOM 416 ND2 ASN A 25 -9.492 -9.229 5.053 1.00 0.00 N ATOM 0 H ASN A 25 -8.038 -6.334 3.503 1.00 0.00 H new ATOM 0 HA ASN A 25 -6.460 -6.053 5.967 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -7.608 -7.738 6.847 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -8.814 -6.955 5.845 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -9.748 -10.132 4.653 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -10.218 -8.593 5.382 1.00 0.00 H new ATOM 423 N THR A 26 -4.691 -7.898 5.564 1.00 0.00 N ATOM 424 CA THR A 26 -3.470 -8.560 5.122 1.00 0.00 C ATOM 425 C THR A 26 -3.709 -9.835 4.301 1.00 0.00 C ATOM 426 O THR A 26 -2.974 -10.073 3.347 1.00 0.00 O ATOM 427 CB THR A 26 -2.485 -8.750 6.285 1.00 0.00 C ATOM 428 OG1 THR A 26 -2.310 -7.529 6.977 1.00 0.00 O ATOM 429 CG2 THR A 26 -1.105 -9.130 5.742 1.00 0.00 C ATOM 0 H THR A 26 -4.789 -7.795 6.574 1.00 0.00 H new ATOM 0 HA THR A 26 -2.994 -7.884 4.411 1.00 0.00 H new ATOM 0 HB THR A 26 -2.887 -9.525 6.938 1.00 0.00 H new ATOM 0 HG1 THR A 26 -1.536 -7.053 6.610 1.00 0.00 H new ATOM 0 HG21 THR A 26 -0.411 -9.263 6.572 1.00 0.00 H new ATOM 0 HG22 THR A 26 -1.179 -10.060 5.178 1.00 0.00 H new ATOM 0 HG23 THR A 26 -0.740 -8.338 5.088 1.00 0.00 H new ATOM 437 N ASN A 27 -4.720 -10.653 4.605 1.00 0.00 N ATOM 438 CA ASN A 27 -4.966 -11.837 3.783 1.00 0.00 C ATOM 439 C ASN A 27 -5.282 -11.395 2.353 1.00 0.00 C ATOM 440 O ASN A 27 -4.668 -11.869 1.398 1.00 0.00 O ATOM 441 CB ASN A 27 -6.094 -12.694 4.369 1.00 0.00 C ATOM 442 CG ASN A 27 -6.407 -13.877 3.457 1.00 0.00 C ATOM 443 OD1 ASN A 27 -5.845 -14.953 3.615 1.00 0.00 O ATOM 444 ND2 ASN A 27 -7.311 -13.695 2.497 1.00 0.00 N ATOM 0 H ASN A 27 -5.361 -10.524 5.387 1.00 0.00 H new ATOM 0 HA ASN A 27 -4.072 -12.460 3.772 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -5.806 -13.056 5.356 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -6.988 -12.085 4.501 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -7.551 -14.463 1.870 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -7.764 -12.787 2.388 1.00 0.00 H new ATOM 451 N GLU A 28 -6.229 -10.461 2.224 1.00 0.00 N ATOM 452 CA GLU A 28 -6.610 -9.877 0.947 1.00 0.00 C ATOM 453 C GLU A 28 -5.371 -9.327 0.230 1.00 0.00 C ATOM 454 O GLU A 28 -5.183 -9.587 -0.957 1.00 0.00 O ATOM 455 CB GLU A 28 -7.620 -8.745 1.176 1.00 0.00 C ATOM 456 CG GLU A 28 -9.010 -9.206 1.614 1.00 0.00 C ATOM 457 CD GLU A 28 -9.898 -8.001 1.932 1.00 0.00 C ATOM 458 OE1 GLU A 28 -9.424 -7.131 2.696 1.00 0.00 O ATOM 459 OE2 GLU A 28 -11.024 -7.950 1.392 1.00 0.00 O ATOM 0 H GLU A 28 -6.755 -10.089 3.015 1.00 0.00 H new ATOM 0 HA GLU A 28 -7.067 -10.648 0.326 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -7.222 -8.069 1.932 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.716 -8.171 0.254 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -9.467 -9.804 0.825 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -8.927 -9.846 2.492 1.00 0.00 H new ATOM 466 N VAL A 29 -4.538 -8.560 0.943 1.00 0.00 N ATOM 467 CA VAL A 29 -3.357 -7.944 0.358 1.00 0.00 C ATOM 468 C VAL A 29 -2.402 -9.014 -0.171 1.00 0.00 C ATOM 469 O VAL A 29 -2.084 -8.998 -1.356 1.00 0.00 O ATOM 470 CB VAL A 29 -2.713 -6.908 1.316 1.00 0.00 C ATOM 471 CG1 VAL A 29 -1.421 -7.343 2.013 1.00 0.00 C ATOM 472 CG2 VAL A 29 -2.368 -5.626 0.547 1.00 0.00 C ATOM 0 H VAL A 29 -4.668 -8.354 1.934 1.00 0.00 H new ATOM 0 HA VAL A 29 -3.651 -7.356 -0.511 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.472 -6.773 2.087 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -1.065 -6.538 2.656 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -1.614 -8.230 2.616 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -0.663 -7.571 1.264 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -1.916 -4.904 1.227 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.665 -5.860 -0.253 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -3.277 -5.202 0.120 1.00 0.00 H new ATOM 482 N ILE A 30 -1.967 -9.963 0.667 1.00 0.00 N ATOM 483 CA ILE A 30 -1.050 -11.008 0.235 1.00 0.00 C ATOM 484 C ILE A 30 -1.647 -11.768 -0.952 1.00 0.00 C ATOM 485 O ILE A 30 -0.950 -12.011 -1.938 1.00 0.00 O ATOM 486 CB ILE A 30 -0.632 -11.899 1.427 1.00 0.00 C ATOM 487 CG1 ILE A 30 0.090 -11.006 2.458 1.00 0.00 C ATOM 488 CG2 ILE A 30 0.295 -13.040 0.976 1.00 0.00 C ATOM 489 CD1 ILE A 30 0.947 -11.745 3.490 1.00 0.00 C ATOM 0 H ILE A 30 -2.240 -10.023 1.648 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.121 -10.568 -0.127 1.00 0.00 H new ATOM 0 HB ILE A 30 -1.519 -12.357 1.866 1.00 0.00 H new ATOM 0 HG12 ILE A 30 0.726 -10.303 1.920 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -0.658 -10.417 2.989 1.00 0.00 H new ATOM 0 HG21 ILE A 30 0.570 -13.648 1.838 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -0.222 -13.661 0.245 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.195 -12.621 0.525 1.00 0.00 H new ATOM 0 HD11 ILE A 30 1.408 -11.023 4.164 1.00 0.00 H new ATOM 0 HD12 ILE A 30 0.319 -12.427 4.063 1.00 0.00 H new ATOM 0 HD13 ILE A 30 1.725 -12.311 2.978 1.00 0.00 H new ATOM 501 N LYS A 31 -2.938 -12.105 -0.890 1.00 0.00 N ATOM 502 CA LYS A 31 -3.598 -12.815 -1.973 1.00 0.00 C ATOM 503 C LYS A 31 -3.543 -12.008 -3.279 1.00 0.00 C ATOM 504 O LYS A 31 -3.011 -12.486 -4.280 1.00 0.00 O ATOM 505 CB LYS A 31 -5.033 -13.169 -1.552 1.00 0.00 C ATOM 506 CG LYS A 31 -5.728 -14.169 -2.488 1.00 0.00 C ATOM 507 CD LYS A 31 -4.983 -15.513 -2.538 1.00 0.00 C ATOM 508 CE LYS A 31 -5.869 -16.644 -3.073 1.00 0.00 C ATOM 509 NZ LYS A 31 -6.337 -16.379 -4.443 1.00 0.00 N ATOM 0 H LYS A 31 -3.543 -11.894 -0.096 1.00 0.00 H new ATOM 0 HA LYS A 31 -3.070 -13.747 -2.174 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -5.014 -13.583 -0.544 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -5.625 -12.255 -1.510 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -6.751 -14.333 -2.151 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -5.787 -13.748 -3.492 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -4.101 -15.414 -3.170 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -4.632 -15.770 -1.539 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -5.311 -17.580 -3.056 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -6.729 -16.773 -2.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -6.876 -17.198 -4.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -6.947 -15.537 -4.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -5.519 -16.215 -5.064 1.00 0.00 H new ATOM 523 N GLU A 32 -4.070 -10.779 -3.287 1.00 0.00 N ATOM 524 CA GLU A 32 -4.126 -9.975 -4.498 1.00 0.00 C ATOM 525 C GLU A 32 -2.726 -9.662 -5.028 1.00 0.00 C ATOM 526 O GLU A 32 -2.488 -9.735 -6.235 1.00 0.00 O ATOM 527 CB GLU A 32 -4.964 -8.718 -4.244 1.00 0.00 C ATOM 528 CG GLU A 32 -5.369 -8.020 -5.552 1.00 0.00 C ATOM 529 CD GLU A 32 -6.194 -8.915 -6.478 1.00 0.00 C ATOM 530 OE1 GLU A 32 -7.078 -9.628 -5.953 1.00 0.00 O ATOM 531 OE2 GLU A 32 -5.918 -8.882 -7.696 1.00 0.00 O ATOM 0 H GLU A 32 -4.463 -10.324 -2.463 1.00 0.00 H new ATOM 0 HA GLU A 32 -4.618 -10.546 -5.286 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -5.860 -8.987 -3.684 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -4.397 -8.024 -3.624 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -5.943 -7.124 -5.316 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -4.471 -7.694 -6.077 1.00 0.00 H new ATOM 538 N LEU A 33 -1.792 -9.310 -4.141 1.00 0.00 N ATOM 539 CA LEU A 33 -0.421 -9.059 -4.550 1.00 0.00 C ATOM 540 C LEU A 33 0.137 -10.320 -5.197 1.00 0.00 C ATOM 541 O LEU A 33 0.567 -10.255 -6.340 1.00 0.00 O ATOM 542 CB LEU A 33 0.450 -8.593 -3.380 1.00 0.00 C ATOM 543 CG LEU A 33 0.438 -7.091 -3.153 1.00 0.00 C ATOM 544 CD1 LEU A 33 -0.936 -6.417 -3.193 1.00 0.00 C ATOM 545 CD2 LEU A 33 1.150 -6.762 -1.843 1.00 0.00 C ATOM 0 H LEU A 33 -1.965 -9.195 -3.142 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.411 -8.245 -5.275 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.112 -9.089 -2.470 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.477 -8.914 -3.556 1.00 0.00 H new ATOM 0 HG LEU A 33 0.969 -6.673 -4.009 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.822 -5.347 -3.019 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -1.392 -6.579 -4.170 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -1.574 -6.845 -2.419 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.139 -5.684 -1.684 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.638 -7.256 -1.017 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.181 -7.111 -1.892 1.00 0.00 H new ATOM 557 N SER A 34 0.093 -11.470 -4.518 1.00 0.00 N ATOM 558 CA SER A 34 0.636 -12.694 -5.094 1.00 0.00 C ATOM 559 C SER A 34 0.012 -13.016 -6.463 1.00 0.00 C ATOM 560 O SER A 34 0.718 -13.472 -7.365 1.00 0.00 O ATOM 561 CB SER A 34 0.553 -13.864 -4.109 1.00 0.00 C ATOM 562 OG SER A 34 -0.773 -14.105 -3.697 1.00 0.00 O ATOM 0 H SER A 34 -0.306 -11.575 -3.585 1.00 0.00 H new ATOM 0 HA SER A 34 1.696 -12.524 -5.283 1.00 0.00 H new ATOM 0 HB2 SER A 34 0.958 -14.762 -4.576 1.00 0.00 H new ATOM 0 HB3 SER A 34 1.172 -13.651 -3.237 1.00 0.00 H new ATOM 0 HG SER A 34 -1.037 -13.432 -3.035 1.00 0.00 H new ATOM 568 N LYS A 35 -1.294 -12.773 -6.630 1.00 0.00 N ATOM 569 CA LYS A 35 -1.962 -12.983 -7.911 1.00 0.00 C ATOM 570 C LYS A 35 -1.416 -12.039 -8.990 1.00 0.00 C ATOM 571 O LYS A 35 -1.086 -12.479 -10.089 1.00 0.00 O ATOM 572 CB LYS A 35 -3.469 -12.727 -7.767 1.00 0.00 C ATOM 573 CG LYS A 35 -4.215 -13.835 -7.017 1.00 0.00 C ATOM 574 CD LYS A 35 -5.600 -13.352 -6.556 1.00 0.00 C ATOM 575 CE LYS A 35 -6.446 -12.747 -7.685 1.00 0.00 C ATOM 576 NZ LYS A 35 -7.744 -12.264 -7.182 1.00 0.00 N ATOM 0 H LYS A 35 -1.906 -12.430 -5.890 1.00 0.00 H new ATOM 0 HA LYS A 35 -1.775 -14.014 -8.209 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -3.619 -11.782 -7.244 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -3.906 -12.615 -8.759 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -4.326 -14.706 -7.663 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -3.630 -14.152 -6.153 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -6.141 -14.191 -6.117 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -5.473 -12.608 -5.770 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -5.903 -11.922 -8.147 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -6.610 -13.495 -8.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -8.413 -12.179 -7.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -8.118 -12.937 -6.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -7.618 -11.334 -6.734 1.00 0.00 H new ATOM 590 N THR A 36 -1.341 -10.738 -8.694 1.00 0.00 N ATOM 591 CA THR A 36 -0.927 -9.732 -9.669 1.00 0.00 C ATOM 592 C THR A 36 0.571 -9.812 -9.985 1.00 0.00 C ATOM 593 O THR A 36 0.985 -9.661 -11.133 1.00 0.00 O ATOM 594 CB THR A 36 -1.347 -8.332 -9.195 1.00 0.00 C ATOM 595 OG1 THR A 36 -0.931 -8.097 -7.866 1.00 0.00 O ATOM 596 CG2 THR A 36 -2.868 -8.168 -9.262 1.00 0.00 C ATOM 0 H THR A 36 -1.565 -10.357 -7.775 1.00 0.00 H new ATOM 0 HA THR A 36 -1.440 -9.940 -10.608 1.00 0.00 H new ATOM 0 HB THR A 36 -0.867 -7.613 -9.859 1.00 0.00 H new ATOM 0 HG1 THR A 36 -1.547 -8.542 -7.247 1.00 0.00 H new ATOM 0 HG21 THR A 36 -3.142 -7.169 -8.922 1.00 0.00 H new ATOM 0 HG22 THR A 36 -3.204 -8.306 -10.290 1.00 0.00 H new ATOM 0 HG23 THR A 36 -3.343 -8.912 -8.622 1.00 0.00 H new ATOM 604 N SER A 37 1.405 -9.963 -8.962 1.00 0.00 N ATOM 605 CA SER A 37 2.844 -10.123 -9.067 1.00 0.00 C ATOM 606 C SER A 37 3.275 -11.044 -7.929 1.00 0.00 C ATOM 607 O SER A 37 3.317 -10.620 -6.777 1.00 0.00 O ATOM 608 CB SER A 37 3.496 -8.743 -8.998 1.00 0.00 C ATOM 609 OG SER A 37 3.175 -8.020 -10.172 1.00 0.00 O ATOM 0 H SER A 37 1.078 -9.977 -7.996 1.00 0.00 H new ATOM 0 HA SER A 37 3.153 -10.571 -10.011 1.00 0.00 H new ATOM 0 HB2 SER A 37 3.145 -8.205 -8.117 1.00 0.00 H new ATOM 0 HB3 SER A 37 4.577 -8.842 -8.901 1.00 0.00 H new ATOM 0 HG SER A 37 2.531 -8.531 -10.705 1.00 0.00 H new ATOM 615 N THR A 38 3.618 -12.291 -8.257 1.00 0.00 N ATOM 616 CA THR A 38 3.922 -13.359 -7.317 1.00 0.00 C ATOM 617 C THR A 38 5.208 -13.169 -6.505 1.00 0.00 C ATOM 618 O THR A 38 6.158 -13.938 -6.624 1.00 0.00 O ATOM 619 CB THR A 38 3.846 -14.687 -8.082 1.00 0.00 C ATOM 620 OG1 THR A 38 2.744 -14.606 -8.970 1.00 0.00 O ATOM 621 CG2 THR A 38 3.635 -15.885 -7.152 1.00 0.00 C ATOM 0 H THR A 38 3.693 -12.592 -9.229 1.00 0.00 H new ATOM 0 HA THR A 38 3.174 -13.349 -6.524 1.00 0.00 H new ATOM 0 HB THR A 38 4.790 -14.840 -8.605 1.00 0.00 H new ATOM 0 HG1 THR A 38 1.974 -14.220 -8.502 1.00 0.00 H new ATOM 0 HG21 THR A 38 3.588 -16.800 -7.742 1.00 0.00 H new ATOM 0 HG22 THR A 38 4.465 -15.950 -6.448 1.00 0.00 H new ATOM 0 HG23 THR A 38 2.702 -15.759 -6.603 1.00 0.00 H new ATOM 629 N TRP A 39 5.211 -12.150 -5.647 1.00 0.00 N ATOM 630 CA TRP A 39 6.251 -11.883 -4.677 1.00 0.00 C ATOM 631 C TRP A 39 5.961 -12.765 -3.457 1.00 0.00 C ATOM 632 O TRP A 39 4.798 -13.030 -3.151 1.00 0.00 O ATOM 633 CB TRP A 39 6.215 -10.392 -4.324 1.00 0.00 C ATOM 634 CG TRP A 39 6.484 -9.440 -5.450 1.00 0.00 C ATOM 635 CD1 TRP A 39 7.558 -9.482 -6.269 1.00 0.00 C ATOM 636 CD2 TRP A 39 5.707 -8.279 -5.877 1.00 0.00 C ATOM 637 NE1 TRP A 39 7.510 -8.436 -7.167 1.00 0.00 N ATOM 638 CE2 TRP A 39 6.392 -7.655 -6.962 1.00 0.00 C ATOM 639 CE3 TRP A 39 4.496 -7.684 -5.459 1.00 0.00 C ATOM 640 CZ2 TRP A 39 5.912 -6.494 -7.588 1.00 0.00 C ATOM 641 CZ3 TRP A 39 4.001 -6.526 -6.088 1.00 0.00 C ATOM 642 CH2 TRP A 39 4.714 -5.921 -7.137 1.00 0.00 C ATOM 0 H TRP A 39 4.455 -11.466 -5.614 1.00 0.00 H new ATOM 0 HA TRP A 39 7.247 -12.111 -5.057 1.00 0.00 H new ATOM 0 HB2 TRP A 39 5.234 -10.162 -3.907 1.00 0.00 H new ATOM 0 HB3 TRP A 39 6.947 -10.208 -3.537 1.00 0.00 H new ATOM 0 HD1 TRP A 39 8.340 -10.226 -6.227 1.00 0.00 H new ATOM 0 HE1 TRP A 39 8.210 -8.263 -7.888 1.00 0.00 H new ATOM 0 HE3 TRP A 39 3.941 -8.124 -4.644 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 6.458 -6.048 -8.406 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 3.065 -6.099 -5.761 1.00 0.00 H new ATOM 0 HH2 TRP A 39 4.340 -5.017 -7.595 1.00 0.00 H new ATOM 653 N SER A 40 6.995 -13.250 -2.765 1.00 0.00 N ATOM 654 CA SER A 40 6.777 -14.126 -1.618 1.00 0.00 C ATOM 655 C SER A 40 6.138 -13.343 -0.460 1.00 0.00 C ATOM 656 O SER A 40 6.335 -12.129 -0.385 1.00 0.00 O ATOM 657 CB SER A 40 8.101 -14.783 -1.206 1.00 0.00 C ATOM 658 OG SER A 40 8.978 -13.859 -0.593 1.00 0.00 O ATOM 0 H SER A 40 7.974 -13.054 -2.976 1.00 0.00 H new ATOM 0 HA SER A 40 6.082 -14.920 -1.893 1.00 0.00 H new ATOM 0 HB2 SER A 40 7.900 -15.605 -0.518 1.00 0.00 H new ATOM 0 HB3 SER A 40 8.582 -15.213 -2.085 1.00 0.00 H new ATOM 0 HG SER A 40 9.010 -13.036 -1.124 1.00 0.00 H new ATOM 664 N PRO A 41 5.401 -13.993 0.458 1.00 0.00 N ATOM 665 CA PRO A 41 4.809 -13.332 1.613 1.00 0.00 C ATOM 666 C PRO A 41 5.794 -12.410 2.332 1.00 0.00 C ATOM 667 O PRO A 41 5.463 -11.263 2.605 1.00 0.00 O ATOM 668 CB PRO A 41 4.281 -14.454 2.506 1.00 0.00 C ATOM 669 CG PRO A 41 3.863 -15.491 1.465 1.00 0.00 C ATOM 670 CD PRO A 41 4.977 -15.385 0.421 1.00 0.00 C ATOM 0 HA PRO A 41 4.002 -12.663 1.314 1.00 0.00 H new ATOM 0 HB2 PRO A 41 5.046 -14.836 3.183 1.00 0.00 H new ATOM 0 HB3 PRO A 41 3.443 -14.129 3.123 1.00 0.00 H new ATOM 0 HG2 PRO A 41 3.802 -16.492 1.892 1.00 0.00 H new ATOM 0 HG3 PRO A 41 2.885 -15.266 1.039 1.00 0.00 H new ATOM 0 HD2 PRO A 41 5.804 -16.055 0.657 1.00 0.00 H new ATOM 0 HD3 PRO A 41 4.616 -15.661 -0.570 1.00 0.00 H new ATOM 678 N LYS A 42 7.017 -12.876 2.605 1.00 0.00 N ATOM 679 CA LYS A 42 8.035 -12.045 3.239 1.00 0.00 C ATOM 680 C LYS A 42 8.322 -10.786 2.404 1.00 0.00 C ATOM 681 O LYS A 42 8.453 -9.691 2.952 1.00 0.00 O ATOM 682 CB LYS A 42 9.300 -12.863 3.547 1.00 0.00 C ATOM 683 CG LYS A 42 9.885 -13.597 2.334 1.00 0.00 C ATOM 684 CD LYS A 42 11.191 -14.310 2.705 1.00 0.00 C ATOM 685 CE LYS A 42 11.644 -15.256 1.584 1.00 0.00 C ATOM 686 NZ LYS A 42 11.741 -14.571 0.282 1.00 0.00 N ATOM 0 H LYS A 42 7.322 -13.826 2.395 1.00 0.00 H new ATOM 0 HA LYS A 42 7.651 -11.696 4.198 1.00 0.00 H new ATOM 0 HB2 LYS A 42 10.060 -12.196 3.955 1.00 0.00 H new ATOM 0 HB3 LYS A 42 9.067 -13.593 4.322 1.00 0.00 H new ATOM 0 HG2 LYS A 42 9.163 -14.323 1.960 1.00 0.00 H new ATOM 0 HG3 LYS A 42 10.070 -12.887 1.528 1.00 0.00 H new ATOM 0 HD2 LYS A 42 11.969 -13.572 2.898 1.00 0.00 H new ATOM 0 HD3 LYS A 42 11.051 -14.875 3.627 1.00 0.00 H new ATOM 0 HE2 LYS A 42 12.613 -15.683 1.841 1.00 0.00 H new ATOM 0 HE3 LYS A 42 10.941 -16.085 1.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 12.223 -15.190 -0.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 10.786 -14.349 -0.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 12.282 -13.690 0.393 1.00 0.00 H new ATOM 700 N THR A 43 8.406 -10.922 1.076 1.00 0.00 N ATOM 701 CA THR A 43 8.622 -9.793 0.184 1.00 0.00 C ATOM 702 C THR A 43 7.456 -8.813 0.339 1.00 0.00 C ATOM 703 O THR A 43 7.670 -7.626 0.570 1.00 0.00 O ATOM 704 CB THR A 43 8.760 -10.291 -1.262 1.00 0.00 C ATOM 705 OG1 THR A 43 9.679 -11.363 -1.329 1.00 0.00 O ATOM 706 CG2 THR A 43 9.217 -9.180 -2.210 1.00 0.00 C ATOM 0 H THR A 43 8.325 -11.819 0.597 1.00 0.00 H new ATOM 0 HA THR A 43 9.546 -9.275 0.440 1.00 0.00 H new ATOM 0 HB THR A 43 7.772 -10.627 -1.578 1.00 0.00 H new ATOM 0 HG1 THR A 43 9.755 -11.671 -2.256 1.00 0.00 H new ATOM 0 HG21 THR A 43 9.301 -9.577 -3.222 1.00 0.00 H new ATOM 0 HG22 THR A 43 8.489 -8.369 -2.198 1.00 0.00 H new ATOM 0 HG23 THR A 43 10.187 -8.802 -1.887 1.00 0.00 H new ATOM 714 N ILE A 44 6.222 -9.309 0.231 1.00 0.00 N ATOM 715 CA ILE A 44 5.017 -8.515 0.394 1.00 0.00 C ATOM 716 C ILE A 44 5.030 -7.774 1.735 1.00 0.00 C ATOM 717 O ILE A 44 4.820 -6.564 1.783 1.00 0.00 O ATOM 718 CB ILE A 44 3.797 -9.432 0.213 1.00 0.00 C ATOM 719 CG1 ILE A 44 3.816 -9.950 -1.240 1.00 0.00 C ATOM 720 CG2 ILE A 44 2.537 -8.643 0.588 1.00 0.00 C ATOM 721 CD1 ILE A 44 2.694 -10.928 -1.592 1.00 0.00 C ATOM 0 H ILE A 44 6.036 -10.290 0.024 1.00 0.00 H new ATOM 0 HA ILE A 44 4.965 -7.737 -0.367 1.00 0.00 H new ATOM 0 HB ILE A 44 3.815 -10.305 0.865 1.00 0.00 H new ATOM 0 HG12 ILE A 44 3.758 -9.096 -1.915 1.00 0.00 H new ATOM 0 HG13 ILE A 44 4.773 -10.437 -1.424 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.660 -9.278 0.466 1.00 0.00 H new ATOM 0 HG22 ILE A 44 2.607 -8.317 1.626 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.447 -7.772 -0.060 1.00 0.00 H new ATOM 0 HD11 ILE A 44 2.792 -11.235 -2.633 1.00 0.00 H new ATOM 0 HD12 ILE A 44 2.760 -11.805 -0.947 1.00 0.00 H new ATOM 0 HD13 ILE A 44 1.729 -10.442 -1.447 1.00 0.00 H new ATOM 733 N GLN A 45 5.289 -8.496 2.824 1.00 0.00 N ATOM 734 CA GLN A 45 5.397 -7.936 4.163 1.00 0.00 C ATOM 735 C GLN A 45 6.422 -6.798 4.153 1.00 0.00 C ATOM 736 O GLN A 45 6.155 -5.716 4.677 1.00 0.00 O ATOM 737 CB GLN A 45 5.751 -9.054 5.150 1.00 0.00 C ATOM 738 CG GLN A 45 4.571 -10.027 5.329 1.00 0.00 C ATOM 739 CD GLN A 45 5.017 -11.386 5.861 1.00 0.00 C ATOM 740 OE1 GLN A 45 4.607 -12.428 5.357 1.00 0.00 O ATOM 741 NE2 GLN A 45 5.862 -11.397 6.888 1.00 0.00 N ATOM 0 H GLN A 45 5.432 -9.506 2.796 1.00 0.00 H new ATOM 0 HA GLN A 45 4.448 -7.510 4.488 1.00 0.00 H new ATOM 0 HB2 GLN A 45 6.624 -9.598 4.790 1.00 0.00 H new ATOM 0 HB3 GLN A 45 6.020 -8.621 6.114 1.00 0.00 H new ATOM 0 HG2 GLN A 45 3.845 -9.591 6.015 1.00 0.00 H new ATOM 0 HG3 GLN A 45 4.066 -10.162 4.373 1.00 0.00 H new ATOM 0 HE21 GLN A 45 6.188 -10.518 7.289 1.00 0.00 H new ATOM 0 HE22 GLN A 45 6.184 -12.285 7.274 1.00 0.00 H new ATOM 750 N THR A 46 7.578 -7.026 3.521 1.00 0.00 N ATOM 751 CA THR A 46 8.591 -5.991 3.383 1.00 0.00 C ATOM 752 C THR A 46 7.999 -4.783 2.647 1.00 0.00 C ATOM 753 O THR A 46 8.093 -3.673 3.153 1.00 0.00 O ATOM 754 CB THR A 46 9.864 -6.533 2.712 1.00 0.00 C ATOM 755 OG1 THR A 46 10.314 -7.688 3.392 1.00 0.00 O ATOM 756 CG2 THR A 46 10.995 -5.500 2.757 1.00 0.00 C ATOM 0 H THR A 46 7.829 -7.920 3.099 1.00 0.00 H new ATOM 0 HA THR A 46 8.898 -5.658 4.374 1.00 0.00 H new ATOM 0 HB THR A 46 9.614 -6.762 1.676 1.00 0.00 H new ATOM 0 HG1 THR A 46 9.717 -8.439 3.192 1.00 0.00 H new ATOM 0 HG21 THR A 46 11.882 -5.911 2.275 1.00 0.00 H new ATOM 0 HG22 THR A 46 10.683 -4.596 2.233 1.00 0.00 H new ATOM 0 HG23 THR A 46 11.225 -5.257 3.794 1.00 0.00 H new ATOM 764 N MET A 47 7.371 -4.969 1.479 1.00 0.00 N ATOM 765 CA MET A 47 6.764 -3.869 0.731 1.00 0.00 C ATOM 766 C MET A 47 5.773 -3.078 1.596 1.00 0.00 C ATOM 767 O MET A 47 5.791 -1.848 1.602 1.00 0.00 O ATOM 768 CB MET A 47 6.086 -4.387 -0.546 1.00 0.00 C ATOM 769 CG MET A 47 7.106 -4.922 -1.556 1.00 0.00 C ATOM 770 SD MET A 47 6.397 -5.419 -3.146 1.00 0.00 S ATOM 771 CE MET A 47 7.918 -5.652 -4.091 1.00 0.00 C ATOM 0 H MET A 47 7.272 -5.880 1.032 1.00 0.00 H new ATOM 0 HA MET A 47 7.563 -3.186 0.441 1.00 0.00 H new ATOM 0 HB2 MET A 47 5.381 -5.177 -0.288 1.00 0.00 H new ATOM 0 HB3 MET A 47 5.510 -3.583 -1.003 1.00 0.00 H new ATOM 0 HG2 MET A 47 7.860 -4.155 -1.733 1.00 0.00 H new ATOM 0 HG3 MET A 47 7.618 -5.778 -1.117 1.00 0.00 H new ATOM 0 HE1 MET A 47 7.676 -5.770 -5.147 1.00 0.00 H new ATOM 0 HE2 MET A 47 8.563 -4.783 -3.962 1.00 0.00 H new ATOM 0 HE3 MET A 47 8.434 -6.544 -3.735 1.00 0.00 H new ATOM 781 N LEU A 48 4.909 -3.769 2.337 1.00 0.00 N ATOM 782 CA LEU A 48 3.948 -3.114 3.218 1.00 0.00 C ATOM 783 C LEU A 48 4.693 -2.266 4.253 1.00 0.00 C ATOM 784 O LEU A 48 4.383 -1.086 4.435 1.00 0.00 O ATOM 785 CB LEU A 48 3.039 -4.165 3.866 1.00 0.00 C ATOM 786 CG LEU A 48 2.155 -4.851 2.811 1.00 0.00 C ATOM 787 CD1 LEU A 48 1.686 -6.215 3.318 1.00 0.00 C ATOM 788 CD2 LEU A 48 0.944 -3.981 2.457 1.00 0.00 C ATOM 0 H LEU A 48 4.856 -4.788 2.343 1.00 0.00 H new ATOM 0 HA LEU A 48 3.309 -2.442 2.645 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.647 -4.911 4.378 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.411 -3.693 4.621 1.00 0.00 H new ATOM 0 HG LEU A 48 2.753 -4.990 1.910 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.061 -6.689 2.561 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.552 -6.845 3.521 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.110 -6.084 4.234 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.336 -4.490 1.709 1.00 0.00 H new ATOM 0 HD22 LEU A 48 0.347 -3.807 3.352 1.00 0.00 H new ATOM 0 HD23 LEU A 48 1.286 -3.026 2.058 1.00 0.00 H new ATOM 800 N LEU A 49 5.699 -2.858 4.908 1.00 0.00 N ATOM 801 CA LEU A 49 6.546 -2.135 5.849 1.00 0.00 C ATOM 802 C LEU A 49 7.149 -0.911 5.152 1.00 0.00 C ATOM 803 O LEU A 49 7.197 0.172 5.738 1.00 0.00 O ATOM 804 CB LEU A 49 7.603 -3.081 6.438 1.00 0.00 C ATOM 805 CG LEU A 49 8.464 -2.412 7.524 1.00 0.00 C ATOM 806 CD1 LEU A 49 8.808 -3.436 8.611 1.00 0.00 C ATOM 807 CD2 LEU A 49 9.772 -1.852 6.949 1.00 0.00 C ATOM 0 H LEU A 49 5.943 -3.842 4.799 1.00 0.00 H new ATOM 0 HA LEU A 49 5.958 -1.768 6.690 1.00 0.00 H new ATOM 0 HB2 LEU A 49 7.107 -3.954 6.861 1.00 0.00 H new ATOM 0 HB3 LEU A 49 8.250 -3.439 5.637 1.00 0.00 H new ATOM 0 HG LEU A 49 7.885 -1.587 7.939 1.00 0.00 H new ATOM 0 HD11 LEU A 49 9.418 -2.960 9.379 1.00 0.00 H new ATOM 0 HD12 LEU A 49 7.889 -3.813 9.059 1.00 0.00 H new ATOM 0 HD13 LEU A 49 9.362 -4.264 8.169 1.00 0.00 H new ATOM 0 HD21 LEU A 49 10.351 -1.388 7.747 1.00 0.00 H new ATOM 0 HD22 LEU A 49 10.350 -2.662 6.505 1.00 0.00 H new ATOM 0 HD23 LEU A 49 9.545 -1.108 6.186 1.00 0.00 H new ATOM 819 N ARG A 50 7.588 -1.075 3.897 1.00 0.00 N ATOM 820 CA ARG A 50 8.115 0.028 3.119 1.00 0.00 C ATOM 821 C ARG A 50 7.057 1.120 3.036 1.00 0.00 C ATOM 822 O ARG A 50 7.334 2.174 3.578 1.00 0.00 O ATOM 823 CB ARG A 50 8.652 -0.376 1.739 1.00 0.00 C ATOM 824 CG ARG A 50 9.867 -1.304 1.808 1.00 0.00 C ATOM 825 CD ARG A 50 11.157 -0.518 2.048 1.00 0.00 C ATOM 826 NE ARG A 50 12.330 -1.403 2.046 1.00 0.00 N ATOM 827 CZ ARG A 50 12.682 -2.220 3.049 1.00 0.00 C ATOM 828 NH1 ARG A 50 11.944 -2.287 4.162 1.00 0.00 N ATOM 829 NH2 ARG A 50 13.779 -2.974 2.930 1.00 0.00 N ATOM 0 H ARG A 50 7.584 -1.969 3.407 1.00 0.00 H new ATOM 0 HA ARG A 50 8.995 0.410 3.636 1.00 0.00 H new ATOM 0 HB2 ARG A 50 7.858 -0.870 1.179 1.00 0.00 H new ATOM 0 HB3 ARG A 50 8.922 0.523 1.185 1.00 0.00 H new ATOM 0 HG2 ARG A 50 9.727 -2.030 2.609 1.00 0.00 H new ATOM 0 HG3 ARG A 50 9.950 -1.867 0.878 1.00 0.00 H new ATOM 0 HD2 ARG A 50 11.271 0.242 1.275 1.00 0.00 H new ATOM 0 HD3 ARG A 50 11.095 0.005 3.003 1.00 0.00 H new ATOM 0 HE ARG A 50 12.923 -1.395 1.216 1.00 0.00 H new ATOM 0 HH11 ARG A 50 11.105 -1.714 4.253 1.00 0.00 H new ATOM 0 HH12 ARG A 50 12.220 -2.912 4.920 1.00 0.00 H new ATOM 0 HH21 ARG A 50 14.342 -2.925 2.081 1.00 0.00 H new ATOM 0 HH22 ARG A 50 14.054 -3.598 3.689 1.00 0.00 H new ATOM 843 N LEU A 51 5.863 0.925 2.452 1.00 0.00 N ATOM 844 CA LEU A 51 4.865 1.990 2.412 1.00 0.00 C ATOM 845 C LEU A 51 4.631 2.674 3.766 1.00 0.00 C ATOM 846 O LEU A 51 4.443 3.891 3.828 1.00 0.00 O ATOM 847 CB LEU A 51 3.562 1.461 1.847 1.00 0.00 C ATOM 848 CG LEU A 51 3.581 1.349 0.321 1.00 0.00 C ATOM 849 CD1 LEU A 51 3.895 2.633 -0.464 1.00 0.00 C ATOM 850 CD2 LEU A 51 4.361 0.180 -0.254 1.00 0.00 C ATOM 0 H LEU A 51 5.575 0.052 2.010 1.00 0.00 H new ATOM 0 HA LEU A 51 5.266 2.763 1.757 1.00 0.00 H new ATOM 0 HB2 LEU A 51 3.356 0.480 2.276 1.00 0.00 H new ATOM 0 HB3 LEU A 51 2.747 2.119 2.149 1.00 0.00 H new ATOM 0 HG LEU A 51 2.523 1.141 0.159 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.878 2.419 -1.533 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.148 3.392 -0.234 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.883 2.999 -0.183 1.00 0.00 H new ATOM 0 HD21 LEU A 51 4.303 0.204 -1.342 1.00 0.00 H new ATOM 0 HD22 LEU A 51 5.404 0.251 0.056 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.937 -0.755 0.111 1.00 0.00 H new ATOM 862 N ILE A 52 4.609 1.910 4.859 1.00 0.00 N ATOM 863 CA ILE A 52 4.426 2.503 6.176 1.00 0.00 C ATOM 864 C ILE A 52 5.543 3.519 6.466 1.00 0.00 C ATOM 865 O ILE A 52 5.267 4.642 6.882 1.00 0.00 O ATOM 866 CB ILE A 52 4.276 1.395 7.234 1.00 0.00 C ATOM 867 CG1 ILE A 52 2.959 0.644 6.960 1.00 0.00 C ATOM 868 CG2 ILE A 52 4.260 1.983 8.654 1.00 0.00 C ATOM 869 CD1 ILE A 52 2.904 -0.732 7.628 1.00 0.00 C ATOM 0 H ILE A 52 4.714 0.895 4.856 1.00 0.00 H new ATOM 0 HA ILE A 52 3.499 3.076 6.211 1.00 0.00 H new ATOM 0 HB ILE A 52 5.125 0.715 7.169 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.123 1.247 7.314 1.00 0.00 H new ATOM 0 HG13 ILE A 52 2.833 0.525 5.884 1.00 0.00 H new ATOM 0 HG21 ILE A 52 4.153 1.177 9.380 1.00 0.00 H new ATOM 0 HG22 ILE A 52 5.193 2.516 8.838 1.00 0.00 H new ATOM 0 HG23 ILE A 52 3.423 2.674 8.752 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.952 -1.211 7.398 1.00 0.00 H new ATOM 0 HD12 ILE A 52 3.721 -1.350 7.255 1.00 0.00 H new ATOM 0 HD13 ILE A 52 3.000 -0.616 8.708 1.00 0.00 H new ATOM 881 N LYS A 53 6.804 3.151 6.224 1.00 0.00 N ATOM 882 CA LYS A 53 7.939 4.039 6.454 1.00 0.00 C ATOM 883 C LYS A 53 8.027 5.152 5.392 1.00 0.00 C ATOM 884 O LYS A 53 8.295 6.312 5.694 1.00 0.00 O ATOM 885 CB LYS A 53 9.217 3.189 6.480 1.00 0.00 C ATOM 886 CG LYS A 53 10.422 3.986 6.994 1.00 0.00 C ATOM 887 CD LYS A 53 11.676 3.102 6.995 1.00 0.00 C ATOM 888 CE LYS A 53 12.881 3.824 7.610 1.00 0.00 C ATOM 889 NZ LYS A 53 13.260 5.024 6.843 1.00 0.00 N ATOM 0 H LYS A 53 7.063 2.232 5.865 1.00 0.00 H new ATOM 0 HA LYS A 53 7.810 4.546 7.410 1.00 0.00 H new ATOM 0 HB2 LYS A 53 9.060 2.317 7.115 1.00 0.00 H new ATOM 0 HB3 LYS A 53 9.428 2.819 5.477 1.00 0.00 H new ATOM 0 HG2 LYS A 53 10.585 4.861 6.365 1.00 0.00 H new ATOM 0 HG3 LYS A 53 10.224 4.351 8.002 1.00 0.00 H new ATOM 0 HD2 LYS A 53 11.476 2.188 7.554 1.00 0.00 H new ATOM 0 HD3 LYS A 53 11.913 2.805 5.973 1.00 0.00 H new ATOM 0 HE2 LYS A 53 12.647 4.109 8.636 1.00 0.00 H new ATOM 0 HE3 LYS A 53 13.729 3.140 7.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 14.138 5.423 7.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 13.410 4.766 5.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 12.500 5.731 6.907 1.00 0.00 H new ATOM 903 N LYS A 54 7.768 4.792 4.138 1.00 0.00 N ATOM 904 CA LYS A 54 7.883 5.541 2.905 1.00 0.00 C ATOM 905 C LYS A 54 6.824 6.632 2.730 1.00 0.00 C ATOM 906 O LYS A 54 6.419 6.931 1.608 1.00 0.00 O ATOM 907 CB LYS A 54 7.888 4.549 1.736 1.00 0.00 C ATOM 908 CG LYS A 54 9.160 3.698 1.622 1.00 0.00 C ATOM 909 CD LYS A 54 10.369 4.521 1.153 1.00 0.00 C ATOM 910 CE LYS A 54 11.502 3.624 0.639 1.00 0.00 C ATOM 911 NZ LYS A 54 11.167 3.005 -0.658 1.00 0.00 N ATOM 0 H LYS A 54 7.431 3.848 3.947 1.00 0.00 H new ATOM 0 HA LYS A 54 8.822 6.093 2.935 1.00 0.00 H new ATOM 0 HB2 LYS A 54 7.030 3.884 1.838 1.00 0.00 H new ATOM 0 HB3 LYS A 54 7.753 5.103 0.807 1.00 0.00 H new ATOM 0 HG2 LYS A 54 9.382 3.248 2.590 1.00 0.00 H new ATOM 0 HG3 LYS A 54 8.986 2.880 0.923 1.00 0.00 H new ATOM 0 HD2 LYS A 54 10.059 5.205 0.363 1.00 0.00 H new ATOM 0 HD3 LYS A 54 10.735 5.132 1.978 1.00 0.00 H new ATOM 0 HE2 LYS A 54 12.413 4.213 0.536 1.00 0.00 H new ATOM 0 HE3 LYS A 54 11.708 2.844 1.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 11.994 2.489 -1.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 10.374 2.344 -0.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 10.896 3.745 -1.336 1.00 0.00 H new ATOM 925 N GLY A 55 6.277 7.185 3.808 1.00 0.00 N ATOM 926 CA GLY A 55 5.390 8.321 3.630 1.00 0.00 C ATOM 927 C GLY A 55 3.980 7.940 3.178 1.00 0.00 C ATOM 928 O GLY A 55 3.260 8.842 2.758 1.00 0.00 O ATOM 0 H GLY A 55 6.424 6.881 4.770 1.00 0.00 H new ATOM 0 HA2 GLY A 55 5.324 8.869 4.570 1.00 0.00 H new ATOM 0 HA3 GLY A 55 5.826 8.999 2.896 1.00 0.00 H new ATOM 932 N ALA A 56 3.558 6.665 3.264 1.00 0.00 N ATOM 933 CA ALA A 56 2.298 6.245 2.650 1.00 0.00 C ATOM 934 C ALA A 56 1.236 5.627 3.562 1.00 0.00 C ATOM 935 O ALA A 56 0.100 6.099 3.566 1.00 0.00 O ATOM 936 CB ALA A 56 2.630 5.274 1.515 1.00 0.00 C ATOM 0 H ALA A 56 4.066 5.923 3.746 1.00 0.00 H new ATOM 0 HA ALA A 56 1.826 7.168 2.314 1.00 0.00 H new ATOM 0 HB1 ALA A 56 1.708 4.943 1.038 1.00 0.00 H new ATOM 0 HB2 ALA A 56 3.260 5.775 0.780 1.00 0.00 H new ATOM 0 HB3 ALA A 56 3.160 4.411 1.918 1.00 0.00 H new ATOM 942 N LEU A 57 1.544 4.536 4.265 1.00 0.00 N ATOM 943 CA LEU A 57 0.510 3.749 4.945 1.00 0.00 C ATOM 944 C LEU A 57 0.502 3.832 6.470 1.00 0.00 C ATOM 945 O LEU A 57 1.520 4.088 7.105 1.00 0.00 O ATOM 946 CB LEU A 57 0.653 2.284 4.503 1.00 0.00 C ATOM 947 CG LEU A 57 -0.399 1.860 3.469 1.00 0.00 C ATOM 948 CD1 LEU A 57 -0.430 2.718 2.195 1.00 0.00 C ATOM 949 CD2 LEU A 57 -0.119 0.404 3.084 1.00 0.00 C ATOM 0 H LEU A 57 2.492 4.178 4.379 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.444 4.185 4.648 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.647 2.133 4.083 1.00 0.00 H new ATOM 0 HB3 LEU A 57 0.575 1.638 5.377 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.374 1.993 3.937 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.203 2.344 1.524 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.647 3.753 2.459 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.539 2.666 1.698 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.853 0.075 2.349 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.881 0.326 2.658 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -0.186 -0.226 3.971 1.00 0.00 H new ATOM 961 N ASN A 58 -0.676 3.563 7.046 1.00 0.00 N ATOM 962 CA ASN A 58 -0.908 3.431 8.474 1.00 0.00 C ATOM 963 C ASN A 58 -1.693 2.135 8.667 1.00 0.00 C ATOM 964 O ASN A 58 -2.792 2.009 8.128 1.00 0.00 O ATOM 965 CB ASN A 58 -1.716 4.628 8.974 1.00 0.00 C ATOM 966 CG ASN A 58 -2.013 4.474 10.461 1.00 0.00 C ATOM 967 OD1 ASN A 58 -3.119 4.121 10.851 1.00 0.00 O ATOM 968 ND2 ASN A 58 -1.017 4.714 11.308 1.00 0.00 N ATOM 0 H ASN A 58 -1.525 3.427 6.498 1.00 0.00 H new ATOM 0 HA ASN A 58 0.027 3.404 9.034 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -1.161 5.550 8.799 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -2.648 4.706 8.415 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -1.164 4.605 12.312 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -0.106 5.007 10.954 1.00 0.00 H new ATOM 975 N HIS A 59 -1.136 1.147 9.370 1.00 0.00 N ATOM 976 CA HIS A 59 -1.794 -0.133 9.586 1.00 0.00 C ATOM 977 C HIS A 59 -2.494 -0.174 10.945 1.00 0.00 C ATOM 978 O HIS A 59 -2.012 0.388 11.926 1.00 0.00 O ATOM 979 CB HIS A 59 -0.810 -1.290 9.377 1.00 0.00 C ATOM 980 CG HIS A 59 0.431 -1.280 10.230 1.00 0.00 C ATOM 981 ND1 HIS A 59 0.954 -0.107 10.779 1.00 0.00 N ATOM 982 CD2 HIS A 59 1.281 -2.316 10.509 1.00 0.00 C ATOM 983 CE1 HIS A 59 2.061 -0.493 11.418 1.00 0.00 C ATOM 984 NE2 HIS A 59 2.304 -1.808 11.285 1.00 0.00 N ATOM 0 H HIS A 59 -0.215 1.217 9.804 1.00 0.00 H new ATOM 0 HA HIS A 59 -2.580 -0.254 8.840 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -1.340 -2.225 9.557 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -0.505 -1.293 8.331 1.00 0.00 H new ATOM 0 HD2 HIS A 59 1.172 -3.340 10.183 1.00 0.00 H new ATOM 0 HE1 HIS A 59 2.693 0.179 11.981 1.00 0.00 H new ATOM 0 HE2 HIS A 59 3.088 -2.328 11.679 1.00 0.00 H new ATOM 992 N HIS A 60 -3.652 -0.837 10.981 1.00 0.00 N ATOM 993 CA HIS A 60 -4.522 -0.997 12.137 1.00 0.00 C ATOM 994 C HIS A 60 -4.741 -2.489 12.382 1.00 0.00 C ATOM 995 O HIS A 60 -4.797 -3.261 11.429 1.00 0.00 O ATOM 996 CB HIS A 60 -5.854 -0.293 11.849 1.00 0.00 C ATOM 997 CG HIS A 60 -6.970 -0.710 12.771 1.00 0.00 C ATOM 998 ND1 HIS A 60 -6.802 -0.745 14.155 1.00 0.00 N ATOM 999 CD2 HIS A 60 -8.215 -1.185 12.461 1.00 0.00 C ATOM 1000 CE1 HIS A 60 -7.958 -1.225 14.625 1.00 0.00 C ATOM 1001 NE2 HIS A 60 -8.837 -1.508 13.649 1.00 0.00 N ATOM 0 H HIS A 60 -4.025 -1.302 10.153 1.00 0.00 H new ATOM 0 HA HIS A 60 -4.074 -0.555 13.027 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -5.711 0.784 11.930 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -6.149 -0.499 10.820 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -8.633 -1.288 11.470 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -8.163 -1.370 15.675 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -9.777 -1.886 13.764 1.00 0.00 H new ATOM 1009 N LYS A 61 -4.850 -2.904 13.646 1.00 0.00 N ATOM 1010 CA LYS A 61 -5.108 -4.285 14.032 1.00 0.00 C ATOM 1011 C LYS A 61 -6.624 -4.476 14.107 1.00 0.00 C ATOM 1012 O LYS A 61 -7.237 -4.175 15.131 1.00 0.00 O ATOM 1013 CB LYS A 61 -4.432 -4.577 15.379 1.00 0.00 C ATOM 1014 CG LYS A 61 -2.907 -4.429 15.279 1.00 0.00 C ATOM 1015 CD LYS A 61 -2.193 -4.906 16.551 1.00 0.00 C ATOM 1016 CE LYS A 61 -2.551 -4.056 17.776 1.00 0.00 C ATOM 1017 NZ LYS A 61 -1.748 -4.443 18.950 1.00 0.00 N ATOM 0 H LYS A 61 -4.759 -2.274 14.443 1.00 0.00 H new ATOM 0 HA LYS A 61 -4.696 -4.983 13.303 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -4.817 -3.895 16.137 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -4.681 -5.588 15.702 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -2.544 -5.000 14.425 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -2.657 -3.384 15.094 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -2.457 -5.946 16.744 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -1.115 -4.875 16.393 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -2.386 -3.002 17.551 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -3.611 -4.171 18.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -2.013 -3.850 19.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -1.925 -5.442 19.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -0.738 -4.310 18.739 1.00 0.00 H new ATOM 1031 N GLU A 62 -7.248 -4.999 13.047 1.00 0.00 N ATOM 1032 CA GLU A 62 -8.694 -5.137 13.027 1.00 0.00 C ATOM 1033 C GLU A 62 -9.073 -6.460 13.694 1.00 0.00 C ATOM 1034 O GLU A 62 -9.447 -7.437 13.043 1.00 0.00 O ATOM 1035 CB GLU A 62 -9.195 -5.022 11.578 1.00 0.00 C ATOM 1036 CG GLU A 62 -10.699 -4.727 11.500 1.00 0.00 C ATOM 1037 CD GLU A 62 -11.011 -3.268 11.823 1.00 0.00 C ATOM 1038 OE1 GLU A 62 -11.174 -2.964 13.026 1.00 0.00 O ATOM 1039 OE2 GLU A 62 -11.049 -2.471 10.861 1.00 0.00 O ATOM 0 H GLU A 62 -6.775 -5.328 12.205 1.00 0.00 H new ATOM 0 HA GLU A 62 -9.177 -4.340 13.592 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -8.646 -4.231 11.068 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -8.982 -5.950 11.048 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -11.064 -4.963 10.500 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -11.232 -5.375 12.196 1.00 0.00 H new ATOM 1046 N GLY A 63 -9.021 -6.451 15.027 1.00 0.00 N ATOM 1047 CA GLY A 63 -9.391 -7.566 15.885 1.00 0.00 C ATOM 1048 C GLY A 63 -8.459 -8.769 15.748 1.00 0.00 C ATOM 1049 O GLY A 63 -7.748 -9.110 16.692 1.00 0.00 O ATOM 0 H GLY A 63 -8.708 -5.635 15.553 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -9.392 -7.232 16.923 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -10.409 -7.875 15.649 1.00 0.00 H new ATOM 1053 N ARG A 64 -8.509 -9.448 14.598 1.00 0.00 N ATOM 1054 CA ARG A 64 -7.721 -10.643 14.313 1.00 0.00 C ATOM 1055 C ARG A 64 -6.640 -10.350 13.275 1.00 0.00 C ATOM 1056 O ARG A 64 -5.464 -10.610 13.520 1.00 0.00 O ATOM 1057 CB ARG A 64 -8.621 -11.800 13.857 1.00 0.00 C ATOM 1058 CG ARG A 64 -9.767 -12.189 14.795 1.00 0.00 C ATOM 1059 CD ARG A 64 -9.351 -12.240 16.258 1.00 0.00 C ATOM 1060 NE ARG A 64 -8.210 -13.135 16.496 1.00 0.00 N ATOM 1061 CZ ARG A 64 -7.123 -12.853 17.235 1.00 0.00 C ATOM 1062 NH1 ARG A 64 -6.888 -11.626 17.720 1.00 0.00 N ATOM 1063 NH2 ARG A 64 -6.248 -13.831 17.486 1.00 0.00 N ATOM 0 H ARG A 64 -9.114 -9.173 13.824 1.00 0.00 H new ATOM 0 HA ARG A 64 -7.227 -10.946 15.236 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -9.047 -11.538 12.889 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -7.994 -12.678 13.702 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -10.581 -11.474 14.680 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -10.155 -13.164 14.500 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -9.094 -11.235 16.593 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -10.197 -12.570 16.860 1.00 0.00 H new ATOM 0 HE ARG A 64 -8.246 -14.056 16.060 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -7.545 -10.869 17.532 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -6.052 -11.449 18.277 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -6.412 -14.769 17.119 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -5.416 -13.640 18.044 1.00 0.00 H new ATOM 1077 N VAL A 65 -7.033 -9.819 12.113 1.00 0.00 N ATOM 1078 CA VAL A 65 -6.116 -9.491 11.030 1.00 0.00 C ATOM 1079 C VAL A 65 -5.910 -7.987 10.999 1.00 0.00 C ATOM 1080 O VAL A 65 -6.746 -7.213 11.459 1.00 0.00 O ATOM 1081 CB VAL A 65 -6.613 -10.059 9.688 1.00 0.00 C ATOM 1082 CG1 VAL A 65 -8.069 -9.687 9.376 1.00 0.00 C ATOM 1083 CG2 VAL A 65 -5.726 -9.687 8.493 1.00 0.00 C ATOM 0 H VAL A 65 -8.007 -9.605 11.901 1.00 0.00 H new ATOM 0 HA VAL A 65 -5.148 -9.961 11.206 1.00 0.00 H new ATOM 0 HB VAL A 65 -6.553 -11.138 9.828 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -8.357 -10.118 8.417 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -8.720 -10.076 10.159 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -8.166 -8.602 9.330 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -6.140 -10.123 7.583 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -5.689 -8.602 8.391 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -4.719 -10.071 8.654 1.00 0.00 H new ATOM 1093 N PHE A 66 -4.765 -7.579 10.465 1.00 0.00 N ATOM 1094 CA PHE A 66 -4.400 -6.178 10.359 1.00 0.00 C ATOM 1095 C PHE A 66 -4.755 -5.650 8.968 1.00 0.00 C ATOM 1096 O PHE A 66 -4.621 -6.363 7.968 1.00 0.00 O ATOM 1097 CB PHE A 66 -2.952 -5.925 10.806 1.00 0.00 C ATOM 1098 CG PHE A 66 -1.914 -6.965 10.423 1.00 0.00 C ATOM 1099 CD1 PHE A 66 -1.881 -8.205 11.092 1.00 0.00 C ATOM 1100 CD2 PHE A 66 -0.860 -6.620 9.557 1.00 0.00 C ATOM 1101 CE1 PHE A 66 -0.873 -9.140 10.802 1.00 0.00 C ATOM 1102 CE2 PHE A 66 0.169 -7.542 9.295 1.00 0.00 C ATOM 1103 CZ PHE A 66 0.149 -8.812 9.897 1.00 0.00 C ATOM 0 H PHE A 66 -4.062 -8.217 10.092 1.00 0.00 H new ATOM 0 HA PHE A 66 -4.991 -5.591 11.062 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -2.635 -4.966 10.397 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -2.946 -5.826 11.892 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -2.634 -8.438 11.831 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -0.841 -5.645 9.093 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -0.884 -10.111 11.275 1.00 0.00 H new ATOM 0 HE2 PHE A 66 0.976 -7.274 8.630 1.00 0.00 H new ATOM 0 HZ PHE A 66 0.918 -9.534 9.664 1.00 0.00 H new ATOM 1113 N VAL A 67 -5.262 -4.415 8.942 1.00 0.00 N ATOM 1114 CA VAL A 67 -5.766 -3.694 7.785 1.00 0.00 C ATOM 1115 C VAL A 67 -4.872 -2.492 7.514 1.00 0.00 C ATOM 1116 O VAL A 67 -4.469 -1.808 8.453 1.00 0.00 O ATOM 1117 CB VAL A 67 -7.220 -3.262 8.064 1.00 0.00 C ATOM 1118 CG1 VAL A 67 -7.789 -2.341 6.975 1.00 0.00 C ATOM 1119 CG2 VAL A 67 -8.137 -4.486 8.189 1.00 0.00 C ATOM 0 H VAL A 67 -5.333 -3.858 9.794 1.00 0.00 H new ATOM 0 HA VAL A 67 -5.756 -4.330 6.900 1.00 0.00 H new ATOM 0 HB VAL A 67 -7.191 -2.708 9.002 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -8.815 -2.071 7.226 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -7.182 -1.438 6.908 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -7.775 -2.859 6.016 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -9.158 -4.157 8.386 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -8.112 -5.056 7.260 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -7.794 -5.115 9.010 1.00 0.00 H new ATOM 1129 N TYR A 68 -4.574 -2.228 6.238 1.00 0.00 N ATOM 1130 CA TYR A 68 -3.749 -1.096 5.838 1.00 0.00 C ATOM 1131 C TYR A 68 -4.647 0.051 5.407 1.00 0.00 C ATOM 1132 O TYR A 68 -5.432 -0.114 4.473 1.00 0.00 O ATOM 1133 CB TYR A 68 -2.828 -1.482 4.680 1.00 0.00 C ATOM 1134 CG TYR A 68 -1.944 -2.662 4.997 1.00 0.00 C ATOM 1135 CD1 TYR A 68 -0.794 -2.492 5.791 1.00 0.00 C ATOM 1136 CD2 TYR A 68 -2.390 -3.952 4.674 1.00 0.00 C ATOM 1137 CE1 TYR A 68 -0.130 -3.615 6.314 1.00 0.00 C ATOM 1138 CE2 TYR A 68 -1.718 -5.067 5.187 1.00 0.00 C ATOM 1139 CZ TYR A 68 -0.619 -4.902 6.041 1.00 0.00 C ATOM 1140 OH TYR A 68 -0.057 -5.991 6.628 1.00 0.00 O ATOM 0 H TYR A 68 -4.901 -2.797 5.457 1.00 0.00 H new ATOM 0 HA TYR A 68 -3.135 -0.792 6.686 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -3.433 -1.714 3.804 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -2.204 -0.627 4.419 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -0.422 -1.499 5.998 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -3.248 -4.084 4.032 1.00 0.00 H new ATOM 0 HE1 TYR A 68 0.753 -3.488 6.923 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -2.048 -6.061 4.923 1.00 0.00 H new ATOM 0 HH TYR A 68 -0.312 -6.021 7.574 1.00 0.00 H new ATOM 1150 N THR A 69 -4.526 1.203 6.071 1.00 0.00 N ATOM 1151 CA THR A 69 -5.263 2.404 5.724 1.00 0.00 C ATOM 1152 C THR A 69 -4.282 3.383 5.061 1.00 0.00 C ATOM 1153 O THR A 69 -3.242 3.705 5.647 1.00 0.00 O ATOM 1154 CB THR A 69 -5.978 3.000 6.943 1.00 0.00 C ATOM 1155 OG1 THR A 69 -5.092 3.511 7.913 1.00 0.00 O ATOM 1156 CG2 THR A 69 -6.895 1.968 7.610 1.00 0.00 C ATOM 0 H THR A 69 -3.905 1.322 6.872 1.00 0.00 H new ATOM 0 HA THR A 69 -6.060 2.172 5.018 1.00 0.00 H new ATOM 0 HB THR A 69 -6.567 3.830 6.553 1.00 0.00 H new ATOM 0 HG1 THR A 69 -4.253 3.005 7.889 1.00 0.00 H new ATOM 0 HG21 THR A 69 -7.387 2.421 8.471 1.00 0.00 H new ATOM 0 HG22 THR A 69 -7.648 1.634 6.896 1.00 0.00 H new ATOM 0 HG23 THR A 69 -6.303 1.114 7.939 1.00 0.00 H new ATOM 1164 N PRO A 70 -4.532 3.803 3.811 1.00 0.00 N ATOM 1165 CA PRO A 70 -3.675 4.759 3.137 1.00 0.00 C ATOM 1166 C PRO A 70 -3.751 6.135 3.797 1.00 0.00 C ATOM 1167 O PRO A 70 -4.840 6.627 4.077 1.00 0.00 O ATOM 1168 CB PRO A 70 -4.194 4.846 1.698 1.00 0.00 C ATOM 1169 CG PRO A 70 -4.911 3.518 1.498 1.00 0.00 C ATOM 1170 CD PRO A 70 -5.500 3.247 2.881 1.00 0.00 C ATOM 0 HA PRO A 70 -2.633 4.442 3.182 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -4.870 5.691 1.565 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -3.380 4.974 0.985 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -5.685 3.586 0.734 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -4.225 2.730 1.188 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -6.475 3.720 2.995 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -5.642 2.179 3.049 1.00 0.00 H new ATOM 1178 N ASN A 71 -2.600 6.778 3.997 1.00 0.00 N ATOM 1179 CA ASN A 71 -2.517 8.155 4.479 1.00 0.00 C ATOM 1180 C ASN A 71 -2.552 9.115 3.274 1.00 0.00 C ATOM 1181 O ASN A 71 -2.414 10.327 3.425 1.00 0.00 O ATOM 1182 CB ASN A 71 -1.182 8.305 5.221 1.00 0.00 C ATOM 1183 CG ASN A 71 -1.176 9.402 6.287 1.00 0.00 C ATOM 1184 OD1 ASN A 71 -0.952 9.120 7.460 1.00 0.00 O ATOM 1185 ND2 ASN A 71 -1.404 10.657 5.919 1.00 0.00 N ATOM 0 H ASN A 71 -1.689 6.351 3.827 1.00 0.00 H new ATOM 0 HA ASN A 71 -3.350 8.389 5.142 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -0.933 7.354 5.693 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -0.397 8.516 4.495 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -1.394 11.402 6.615 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -1.589 10.876 4.940 1.00 0.00 H new ATOM 1192 N ILE A 72 -2.689 8.562 2.067 1.00 0.00 N ATOM 1193 CA ILE A 72 -2.584 9.224 0.780 1.00 0.00 C ATOM 1194 C ILE A 72 -3.581 8.603 -0.200 1.00 0.00 C ATOM 1195 O ILE A 72 -4.054 7.484 0.002 1.00 0.00 O ATOM 1196 CB ILE A 72 -1.153 9.012 0.249 1.00 0.00 C ATOM 1197 CG1 ILE A 72 -0.737 7.549 0.491 1.00 0.00 C ATOM 1198 CG2 ILE A 72 -0.161 9.967 0.923 1.00 0.00 C ATOM 1199 CD1 ILE A 72 0.449 7.112 -0.352 1.00 0.00 C ATOM 0 H ILE A 72 -2.891 7.567 1.964 1.00 0.00 H new ATOM 0 HA ILE A 72 -2.801 10.287 0.885 1.00 0.00 H new ATOM 0 HB ILE A 72 -1.140 9.227 -0.820 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -0.492 7.418 1.545 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -1.585 6.898 0.278 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.839 9.792 0.527 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -0.455 10.997 0.724 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -0.161 9.791 1.999 1.00 0.00 H new ATOM 0 HD11 ILE A 72 0.689 6.072 -0.131 1.00 0.00 H new ATOM 0 HD12 ILE A 72 0.200 7.211 -1.409 1.00 0.00 H new ATOM 0 HD13 ILE A 72 1.310 7.739 -0.122 1.00 0.00 H new ATOM 1211 N ASP A 73 -3.868 9.333 -1.278 1.00 0.00 N ATOM 1212 CA ASP A 73 -4.740 8.932 -2.370 1.00 0.00 C ATOM 1213 C ASP A 73 -3.982 9.162 -3.676 1.00 0.00 C ATOM 1214 O ASP A 73 -3.018 9.929 -3.701 1.00 0.00 O ATOM 1215 CB ASP A 73 -6.019 9.779 -2.315 1.00 0.00 C ATOM 1216 CG ASP A 73 -6.986 9.469 -3.455 1.00 0.00 C ATOM 1217 OD1 ASP A 73 -7.806 8.547 -3.269 1.00 0.00 O ATOM 1218 OD2 ASP A 73 -6.879 10.157 -4.496 1.00 0.00 O ATOM 0 H ASP A 73 -3.477 10.265 -1.415 1.00 0.00 H new ATOM 0 HA ASP A 73 -5.022 7.882 -2.297 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -6.521 9.608 -1.363 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -5.751 10.835 -2.349 1.00 0.00 H new ATOM 1223 N GLU A 74 -4.434 8.525 -4.758 1.00 0.00 N ATOM 1224 CA GLU A 74 -3.898 8.686 -6.103 1.00 0.00 C ATOM 1225 C GLU A 74 -3.685 10.171 -6.408 1.00 0.00 C ATOM 1226 O GLU A 74 -2.614 10.580 -6.846 1.00 0.00 O ATOM 1227 CB GLU A 74 -4.871 8.099 -7.137 1.00 0.00 C ATOM 1228 CG GLU A 74 -5.182 6.609 -6.942 1.00 0.00 C ATOM 1229 CD GLU A 74 -6.390 6.350 -6.042 1.00 0.00 C ATOM 1230 OE1 GLU A 74 -6.216 6.452 -4.809 1.00 0.00 O ATOM 1231 OE2 GLU A 74 -7.468 6.066 -6.606 1.00 0.00 O ATOM 0 H GLU A 74 -5.208 7.862 -4.716 1.00 0.00 H new ATOM 0 HA GLU A 74 -2.946 8.159 -6.159 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -5.805 8.660 -7.099 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -4.453 8.243 -8.133 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -5.360 6.153 -7.916 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -4.308 6.117 -6.515 1.00 0.00 H new ATOM 1238 N SER A 75 -4.717 10.972 -6.140 1.00 0.00 N ATOM 1239 CA SER A 75 -4.738 12.409 -6.343 1.00 0.00 C ATOM 1240 C SER A 75 -3.631 13.143 -5.577 1.00 0.00 C ATOM 1241 O SER A 75 -3.228 14.230 -5.979 1.00 0.00 O ATOM 1242 CB SER A 75 -6.113 12.931 -5.920 1.00 0.00 C ATOM 1243 OG SER A 75 -7.143 12.081 -6.392 1.00 0.00 O ATOM 0 H SER A 75 -5.594 10.616 -5.760 1.00 0.00 H new ATOM 0 HA SER A 75 -4.551 12.605 -7.399 1.00 0.00 H new ATOM 0 HB2 SER A 75 -6.162 13.000 -4.833 1.00 0.00 H new ATOM 0 HB3 SER A 75 -6.260 13.938 -6.310 1.00 0.00 H new ATOM 0 HG SER A 75 -7.315 11.378 -5.731 1.00 0.00 H new ATOM 1249 N ASP A 76 -3.180 12.591 -4.445 1.00 0.00 N ATOM 1250 CA ASP A 76 -2.091 13.166 -3.668 1.00 0.00 C ATOM 1251 C ASP A 76 -0.761 12.690 -4.245 1.00 0.00 C ATOM 1252 O ASP A 76 0.178 13.473 -4.341 1.00 0.00 O ATOM 1253 CB ASP A 76 -2.209 12.791 -2.188 1.00 0.00 C ATOM 1254 CG ASP A 76 -1.090 13.448 -1.385 1.00 0.00 C ATOM 1255 OD1 ASP A 76 -1.289 14.612 -0.975 1.00 0.00 O ATOM 1256 OD2 ASP A 76 -0.055 12.773 -1.201 1.00 0.00 O ATOM 0 H ASP A 76 -3.563 11.734 -4.047 1.00 0.00 H new ATOM 0 HA ASP A 76 -2.144 14.253 -3.731 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -3.178 13.108 -1.802 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -2.160 11.708 -2.075 1.00 0.00 H new ATOM 1261 N TYR A 77 -0.669 11.405 -4.612 1.00 0.00 N ATOM 1262 CA TYR A 77 0.542 10.875 -5.229 1.00 0.00 C ATOM 1263 C TYR A 77 0.850 11.669 -6.504 1.00 0.00 C ATOM 1264 O TYR A 77 1.954 12.184 -6.668 1.00 0.00 O ATOM 1265 CB TYR A 77 0.408 9.368 -5.505 1.00 0.00 C ATOM 1266 CG TYR A 77 1.550 8.781 -6.317 1.00 0.00 C ATOM 1267 CD1 TYR A 77 2.887 9.067 -5.977 1.00 0.00 C ATOM 1268 CD2 TYR A 77 1.275 8.040 -7.482 1.00 0.00 C ATOM 1269 CE1 TYR A 77 3.933 8.660 -6.822 1.00 0.00 C ATOM 1270 CE2 TYR A 77 2.321 7.653 -8.337 1.00 0.00 C ATOM 1271 CZ TYR A 77 3.651 7.955 -8.001 1.00 0.00 C ATOM 1272 OH TYR A 77 4.673 7.561 -8.813 1.00 0.00 O ATOM 0 H TYR A 77 -1.416 10.721 -4.491 1.00 0.00 H new ATOM 0 HA TYR A 77 1.380 10.990 -4.541 1.00 0.00 H new ATOM 0 HB2 TYR A 77 0.344 8.840 -4.554 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -0.529 9.188 -6.033 1.00 0.00 H new ATOM 0 HD1 TYR A 77 3.108 9.600 -5.064 1.00 0.00 H new ATOM 0 HD2 TYR A 77 0.257 7.768 -7.719 1.00 0.00 H new ATOM 0 HE1 TYR A 77 4.956 8.890 -6.563 1.00 0.00 H new ATOM 0 HE2 TYR A 77 2.102 7.123 -9.252 1.00 0.00 H new ATOM 0 HH TYR A 77 4.310 7.083 -9.588 1.00 0.00 H new ATOM 1282 N ILE A 78 -0.130 11.766 -7.405 1.00 0.00 N ATOM 1283 CA ILE A 78 -0.032 12.528 -8.639 1.00 0.00 C ATOM 1284 C ILE A 78 -0.837 13.809 -8.428 1.00 0.00 C ATOM 1285 O ILE A 78 -2.043 13.834 -8.669 1.00 0.00 O ATOM 1286 CB ILE A 78 -0.563 11.699 -9.828 1.00 0.00 C ATOM 1287 CG1 ILE A 78 0.093 10.307 -9.840 1.00 0.00 C ATOM 1288 CG2 ILE A 78 -0.298 12.453 -11.140 1.00 0.00 C ATOM 1289 CD1 ILE A 78 -0.250 9.473 -11.077 1.00 0.00 C ATOM 0 H ILE A 78 -1.032 11.304 -7.289 1.00 0.00 H new ATOM 0 HA ILE A 78 1.003 12.774 -8.878 1.00 0.00 H new ATOM 0 HB ILE A 78 -1.639 11.558 -9.723 1.00 0.00 H new ATOM 0 HG12 ILE A 78 1.175 10.425 -9.781 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -0.217 9.762 -8.948 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -0.673 11.867 -11.979 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -0.806 13.417 -11.115 1.00 0.00 H new ATOM 0 HG23 ILE A 78 0.774 12.611 -11.259 1.00 0.00 H new ATOM 0 HD11 ILE A 78 0.249 8.506 -11.014 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -1.328 9.323 -11.127 1.00 0.00 H new ATOM 0 HD13 ILE A 78 0.085 9.996 -11.973 1.00 0.00 H new ATOM 1301 N GLU A 79 -0.171 14.888 -8.011 1.00 0.00 N ATOM 1302 CA GLU A 79 -0.835 16.149 -7.765 1.00 0.00 C ATOM 1303 C GLU A 79 -1.185 16.796 -9.105 1.00 0.00 C ATOM 1304 O GLU A 79 -0.347 17.457 -9.719 1.00 0.00 O ATOM 1305 CB GLU A 79 0.106 17.037 -6.946 1.00 0.00 C ATOM 1306 CG GLU A 79 0.374 16.446 -5.556 1.00 0.00 C ATOM 1307 CD GLU A 79 1.222 17.377 -4.697 1.00 0.00 C ATOM 1308 OE1 GLU A 79 2.345 17.696 -5.144 1.00 0.00 O ATOM 1309 OE2 GLU A 79 0.736 17.759 -3.610 1.00 0.00 O ATOM 0 H GLU A 79 0.834 14.903 -7.839 1.00 0.00 H new ATOM 0 HA GLU A 79 -1.759 16.005 -7.205 1.00 0.00 H new ATOM 0 HB2 GLU A 79 1.049 17.157 -7.479 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -0.330 18.031 -6.842 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -0.574 16.253 -5.055 1.00 0.00 H new ATOM 0 HG3 GLU A 79 0.881 15.487 -5.661 1.00 0.00 H new ATOM 1316 N VAL A 80 -2.436 16.630 -9.536 1.00 0.00 N ATOM 1317 CA VAL A 80 -2.931 17.202 -10.776 1.00 0.00 C ATOM 1318 C VAL A 80 -3.127 18.709 -10.592 1.00 0.00 C ATOM 1319 O VAL A 80 -3.587 19.158 -9.543 1.00 0.00 O ATOM 1320 CB VAL A 80 -4.220 16.491 -11.230 1.00 0.00 C ATOM 1321 CG1 VAL A 80 -3.931 15.027 -11.585 1.00 0.00 C ATOM 1322 CG2 VAL A 80 -5.355 16.550 -10.197 1.00 0.00 C ATOM 0 H VAL A 80 -3.135 16.090 -9.026 1.00 0.00 H new ATOM 0 HA VAL A 80 -2.201 17.051 -11.571 1.00 0.00 H new ATOM 0 HB VAL A 80 -4.562 17.035 -12.110 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -4.853 14.541 -11.903 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -3.201 14.986 -12.394 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -3.533 14.512 -10.711 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -6.229 16.029 -10.587 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -5.030 16.073 -9.272 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -5.612 17.590 -9.998 1.00 0.00 H new ATOM 1332 N LYS A 81 -2.752 19.489 -11.608 1.00 0.00 N ATOM 1333 CA LYS A 81 -2.812 20.942 -11.626 1.00 0.00 C ATOM 1334 C LYS A 81 -2.475 21.385 -13.050 1.00 0.00 C ATOM 1335 O LYS A 81 -2.167 20.542 -13.894 1.00 0.00 O ATOM 1336 CB LYS A 81 -1.836 21.539 -10.594 1.00 0.00 C ATOM 1337 CG LYS A 81 -0.426 20.940 -10.701 1.00 0.00 C ATOM 1338 CD LYS A 81 0.506 21.567 -9.658 1.00 0.00 C ATOM 1339 CE LYS A 81 1.859 20.847 -9.631 1.00 0.00 C ATOM 1340 NZ LYS A 81 1.747 19.482 -9.081 1.00 0.00 N ATOM 0 H LYS A 81 -2.383 19.102 -12.477 1.00 0.00 H new ATOM 0 HA LYS A 81 -3.804 21.299 -11.350 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -1.780 22.618 -10.734 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -2.225 21.368 -9.590 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -0.471 19.861 -10.554 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -0.028 21.109 -11.701 1.00 0.00 H new ATOM 0 HD2 LYS A 81 0.656 22.622 -9.886 1.00 0.00 H new ATOM 0 HD3 LYS A 81 0.043 21.516 -8.673 1.00 0.00 H new ATOM 0 HE2 LYS A 81 2.264 20.799 -10.642 1.00 0.00 H new ATOM 0 HE3 LYS A 81 2.564 21.423 -9.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 2.693 19.055 -9.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 1.321 19.524 -8.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 1.148 18.904 -9.705 1.00 0.00 H new ATOM 1354 N SER A 82 -2.546 22.686 -13.319 1.00 0.00 N ATOM 1355 CA SER A 82 -2.236 23.352 -14.569 1.00 0.00 C ATOM 1356 C SER A 82 -2.171 24.836 -14.211 1.00 0.00 C ATOM 1357 O SER A 82 -1.862 25.635 -15.120 1.00 0.00 O ATOM 1358 CB SER A 82 -3.327 23.110 -15.618 1.00 0.00 C ATOM 1359 OG SER A 82 -3.324 21.770 -16.079 1.00 0.00 O ATOM 1360 OXT SER A 82 -2.460 25.131 -13.027 1.00 0.00 O ATOM 0 H SER A 82 -2.847 23.351 -12.606 1.00 0.00 H new ATOM 0 HA SER A 82 -1.308 22.980 -15.002 1.00 0.00 H new ATOM 0 HB2 SER A 82 -4.302 23.345 -15.190 1.00 0.00 H new ATOM 0 HB3 SER A 82 -3.177 23.785 -16.461 1.00 0.00 H new ATOM 0 HG SER A 82 -2.844 21.205 -15.438 1.00 0.00 H new TER 1366 SER A 82