USER MOD reduce.3.24.130724 H: found=0, std=0, add=569, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 566 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 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HD1:sc= -2.31 K(o=-2.3,f=-1.4) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= -0.502 K(o=-0.5,f=-3.2!) USER MOD Single : A 14 MET CE :methyl 178:sc= -1.17 (180deg=-1.19) USER MOD Single : A 15 THR OG1 : rot 180:sc= -1.49! USER MOD Single : A 17 HIS : no HD1:sc= -6.12! C(o=-6.1!,f=-4.2!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 HIS : no HD1:sc= -1.51 K(o=-1.5,f=-3.1!) USER MOD Single : A 29 MET CE :methyl 172:sc= 0 (180deg=-0.0388) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= -1.41 K(o=-1.4,f=-5.8!) USER MOD Single : A 34 THR OG1 : rot 17:sc= -11.2! USER MOD Single : A 36 CYS SG : rot 77:sc= -9.39! USER MOD Single : A 40 SER OG : rot 86:sc= 1.02 USER MOD Single : A 43 THR OG1 : rot 5:sc= 0.248 USER MOD Single : A 48 ASN : amide:sc= -0.916! C(o=-0.92!,f=-3.7!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 160:sc= -1.73! USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ -153:sc= -0.0362 (180deg=-0.271) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 MET CE :methyl -139:sc= -19.8! (180deg=-23!) USER MOD Single : A 66 GLN : amide:sc= -4.26! C(o=-4.3!,f=-3.2!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -3.131 8.146 4.321 1.00 0.00 N ATOM 2 CA PRO A 1 -2.806 7.087 3.314 1.00 0.00 C ATOM 3 C PRO A 1 -3.227 5.718 3.854 1.00 0.00 C ATOM 4 O PRO A 1 -3.995 5.007 3.237 1.00 0.00 O ATOM 5 CB PRO A 1 -1.298 7.108 3.069 1.00 0.00 C ATOM 6 CG PRO A 1 -0.715 8.224 3.928 1.00 0.00 C ATOM 7 CD PRO A 1 -1.866 8.829 4.729 1.00 0.00 C ATOM 0 H2 PRO A 1 -3.587 7.732 5.134 1.00 0.00 H new ATOM 0 H3 PRO A 1 -3.785 8.821 3.925 1.00 0.00 H new ATOM 0 HA PRO A 1 -3.339 7.274 2.382 1.00 0.00 H new ATOM 0 HB2 PRO A 1 -0.853 6.148 3.331 1.00 0.00 H new ATOM 0 HB3 PRO A 1 -1.082 7.282 2.015 1.00 0.00 H new ATOM 0 HG2 PRO A 1 0.054 7.834 4.595 1.00 0.00 H new ATOM 0 HG3 PRO A 1 -0.241 8.982 3.304 1.00 0.00 H new ATOM 0 HD2 PRO A 1 -1.693 8.702 5.798 1.00 0.00 H new ATOM 0 HD3 PRO A 1 -1.936 9.901 4.543 1.00 0.00 H new ATOM 17 N ILE A 2 -2.733 5.343 5.004 1.00 0.00 N ATOM 18 CA ILE A 2 -3.113 4.022 5.579 1.00 0.00 C ATOM 19 C ILE A 2 -4.558 4.083 6.071 1.00 0.00 C ATOM 20 O ILE A 2 -5.427 3.413 5.552 1.00 0.00 O ATOM 21 CB ILE A 2 -2.186 3.687 6.750 1.00 0.00 C ATOM 22 CG1 ILE A 2 -0.762 4.152 6.428 1.00 0.00 C ATOM 23 CG2 ILE A 2 -2.187 2.176 6.982 1.00 0.00 C ATOM 24 CD1 ILE A 2 -0.387 3.713 5.010 1.00 0.00 C ATOM 0 H ILE A 2 -2.085 5.893 5.568 1.00 0.00 H new ATOM 0 HA ILE A 2 -3.020 3.251 4.815 1.00 0.00 H new ATOM 0 HB ILE A 2 -2.538 4.195 7.648 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -0.695 5.237 6.514 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -0.060 3.731 7.148 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -1.527 1.935 7.816 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -3.199 1.844 7.213 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -1.835 1.670 6.083 1.00 0.00 H new ATOM 0 HD11 ILE A 2 0.626 4.045 4.782 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -0.438 2.626 4.940 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -1.082 4.155 4.296 1.00 0.00 H new ATOM 36 N SER A 3 -4.825 4.885 7.063 1.00 0.00 N ATOM 37 CA SER A 3 -6.217 4.988 7.577 1.00 0.00 C ATOM 38 C SER A 3 -7.156 5.332 6.419 1.00 0.00 C ATOM 39 O SER A 3 -8.305 4.937 6.400 1.00 0.00 O ATOM 40 CB SER A 3 -6.288 6.084 8.638 1.00 0.00 C ATOM 41 OG SER A 3 -6.096 7.350 8.020 1.00 0.00 O ATOM 0 H SER A 3 -4.140 5.472 7.539 1.00 0.00 H new ATOM 0 HA SER A 3 -6.517 4.038 8.020 1.00 0.00 H new ATOM 0 HB2 SER A 3 -7.254 6.056 9.142 1.00 0.00 H new ATOM 0 HB3 SER A 3 -5.526 5.919 9.399 1.00 0.00 H new ATOM 0 HG SER A 3 -6.143 8.056 8.698 1.00 0.00 H new ATOM 47 N GLN A 4 -6.673 6.064 5.451 1.00 0.00 N ATOM 48 CA GLN A 4 -7.536 6.430 4.293 1.00 0.00 C ATOM 49 C GLN A 4 -7.942 5.159 3.545 1.00 0.00 C ATOM 50 O GLN A 4 -9.113 4.903 3.321 1.00 0.00 O ATOM 51 CB GLN A 4 -6.761 7.353 3.352 1.00 0.00 C ATOM 52 CG GLN A 4 -6.696 8.757 3.956 1.00 0.00 C ATOM 53 CD GLN A 4 -7.653 9.683 3.204 1.00 0.00 C ATOM 54 OE1 GLN A 4 -8.801 9.824 3.580 1.00 0.00 O ATOM 55 NE2 GLN A 4 -7.228 10.325 2.151 1.00 0.00 N ATOM 0 H GLN A 4 -5.719 6.424 5.413 1.00 0.00 H new ATOM 0 HA GLN A 4 -8.429 6.944 4.649 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -5.754 6.967 3.194 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -7.247 7.387 2.377 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -6.962 8.722 5.012 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -5.678 9.143 3.896 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -6.265 10.207 1.836 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -7.858 10.945 1.643 1.00 0.00 H new ATOM 64 N VAL A 5 -6.990 4.352 3.159 1.00 0.00 N ATOM 65 CA VAL A 5 -7.344 3.103 2.435 1.00 0.00 C ATOM 66 C VAL A 5 -8.261 2.277 3.318 1.00 0.00 C ATOM 67 O VAL A 5 -9.338 1.914 2.930 1.00 0.00 O ATOM 68 CB VAL A 5 -6.087 2.285 2.117 1.00 0.00 C ATOM 69 CG1 VAL A 5 -6.470 1.009 1.371 1.00 0.00 C ATOM 70 CG2 VAL A 5 -5.120 3.099 1.260 1.00 0.00 C ATOM 0 H VAL A 5 -5.993 4.503 3.313 1.00 0.00 H new ATOM 0 HA VAL A 5 -7.838 3.361 1.498 1.00 0.00 H new ATOM 0 HB VAL A 5 -5.599 2.027 3.057 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -5.571 0.434 1.149 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -7.139 0.412 1.991 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -6.974 1.269 0.440 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -4.234 2.502 1.044 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -5.607 3.376 0.325 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -4.828 4.001 1.798 1.00 0.00 H new ATOM 80 N HIS A 6 -7.857 1.982 4.509 1.00 0.00 N ATOM 81 CA HIS A 6 -8.738 1.192 5.392 1.00 0.00 C ATOM 82 C HIS A 6 -10.148 1.790 5.344 1.00 0.00 C ATOM 83 O HIS A 6 -11.141 1.085 5.361 1.00 0.00 O ATOM 84 CB HIS A 6 -8.194 1.268 6.813 1.00 0.00 C ATOM 85 CG HIS A 6 -6.948 0.433 6.912 1.00 0.00 C ATOM 86 ND1 HIS A 6 -6.992 -0.948 7.008 1.00 0.00 N ATOM 87 CD2 HIS A 6 -5.616 0.768 6.921 1.00 0.00 C ATOM 88 CE1 HIS A 6 -5.723 -1.392 7.069 1.00 0.00 C ATOM 89 NE2 HIS A 6 -4.844 -0.387 7.021 1.00 0.00 N ATOM 0 H HIS A 6 -6.959 2.252 4.910 1.00 0.00 H new ATOM 0 HA HIS A 6 -8.774 0.152 5.068 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -7.974 2.303 7.076 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -8.942 0.911 7.521 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -5.227 1.774 6.860 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -5.449 -2.434 7.147 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -3.826 -0.452 7.051 1.00 0.00 H new ATOM 97 N GLU A 7 -10.231 3.092 5.277 1.00 0.00 N ATOM 98 CA GLU A 7 -11.561 3.772 5.237 1.00 0.00 C ATOM 99 C GLU A 7 -12.337 3.384 3.976 1.00 0.00 C ATOM 100 O GLU A 7 -13.372 2.757 4.052 1.00 0.00 O ATOM 101 CB GLU A 7 -11.356 5.288 5.258 1.00 0.00 C ATOM 102 CG GLU A 7 -11.468 5.799 6.696 1.00 0.00 C ATOM 103 CD GLU A 7 -11.489 7.328 6.694 1.00 0.00 C ATOM 104 OE1 GLU A 7 -12.015 7.892 5.748 1.00 0.00 O ATOM 105 OE2 GLU A 7 -10.978 7.910 7.637 1.00 0.00 O ATOM 0 H GLU A 7 -9.428 3.720 5.248 1.00 0.00 H new ATOM 0 HA GLU A 7 -12.136 3.458 6.108 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -10.378 5.539 4.847 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -12.101 5.775 4.629 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -12.375 5.413 7.161 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -10.628 5.437 7.288 1.00 0.00 H new ATOM 112 N ILE A 8 -11.866 3.770 2.821 1.00 0.00 N ATOM 113 CA ILE A 8 -12.605 3.433 1.570 1.00 0.00 C ATOM 114 C ILE A 8 -12.612 1.920 1.350 1.00 0.00 C ATOM 115 O ILE A 8 -13.633 1.321 1.091 1.00 0.00 O ATOM 116 CB ILE A 8 -11.921 4.113 0.383 1.00 0.00 C ATOM 117 CG1 ILE A 8 -10.427 3.767 0.376 1.00 0.00 C ATOM 118 CG2 ILE A 8 -12.089 5.629 0.497 1.00 0.00 C ATOM 119 CD1 ILE A 8 -10.178 2.545 -0.514 1.00 0.00 C ATOM 0 H ILE A 8 -11.006 4.302 2.689 1.00 0.00 H new ATOM 0 HA ILE A 8 -13.634 3.783 1.659 1.00 0.00 H new ATOM 0 HB ILE A 8 -12.377 3.762 -0.543 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -9.850 4.617 0.011 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -10.087 3.563 1.392 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -11.602 6.114 -0.349 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -13.150 5.879 0.496 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -11.635 5.977 1.425 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -9.115 2.305 -0.514 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -10.742 1.695 -0.130 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -10.500 2.764 -1.532 1.00 0.00 H new ATOM 131 N GLY A 9 -11.475 1.306 1.441 1.00 0.00 N ATOM 132 CA GLY A 9 -11.381 -0.157 1.229 1.00 0.00 C ATOM 133 C GLY A 9 -12.488 -0.861 2.005 1.00 0.00 C ATOM 134 O GLY A 9 -13.278 -1.596 1.449 1.00 0.00 O ATOM 0 H GLY A 9 -10.590 1.764 1.657 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -11.466 -0.386 0.167 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -10.407 -0.520 1.557 1.00 0.00 H new ATOM 138 N ILE A 10 -12.553 -0.652 3.290 1.00 0.00 N ATOM 139 CA ILE A 10 -13.615 -1.326 4.085 1.00 0.00 C ATOM 140 C ILE A 10 -14.983 -0.735 3.727 1.00 0.00 C ATOM 141 O ILE A 10 -15.997 -1.402 3.794 1.00 0.00 O ATOM 142 CB ILE A 10 -13.312 -1.133 5.583 1.00 0.00 C ATOM 143 CG1 ILE A 10 -12.814 -2.459 6.137 1.00 0.00 C ATOM 144 CG2 ILE A 10 -14.562 -0.692 6.360 1.00 0.00 C ATOM 145 CD1 ILE A 10 -13.861 -3.538 5.855 1.00 0.00 C ATOM 0 H ILE A 10 -11.923 -0.050 3.820 1.00 0.00 H new ATOM 0 HA ILE A 10 -13.635 -2.392 3.859 1.00 0.00 H new ATOM 0 HB ILE A 10 -12.561 -0.352 5.696 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -11.863 -2.727 5.676 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -12.637 -2.377 7.209 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -14.310 -0.566 7.413 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -14.926 0.254 5.958 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -15.338 -1.451 6.261 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -13.514 -4.493 6.248 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -14.801 -3.268 6.336 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -14.015 -3.623 4.779 1.00 0.00 H new ATOM 157 N LYS A 11 -15.017 0.513 3.371 1.00 0.00 N ATOM 158 CA LYS A 11 -16.315 1.158 3.034 1.00 0.00 C ATOM 159 C LYS A 11 -16.733 0.789 1.609 1.00 0.00 C ATOM 160 O LYS A 11 -17.798 1.153 1.152 1.00 0.00 O ATOM 161 CB LYS A 11 -16.149 2.674 3.137 1.00 0.00 C ATOM 162 CG LYS A 11 -16.500 3.136 4.553 1.00 0.00 C ATOM 163 CD LYS A 11 -17.005 4.580 4.507 1.00 0.00 C ATOM 164 CE LYS A 11 -15.813 5.540 4.526 1.00 0.00 C ATOM 165 NZ LYS A 11 -15.648 6.152 3.177 1.00 0.00 N ATOM 0 H LYS A 11 -14.200 1.119 3.298 1.00 0.00 H new ATOM 0 HA LYS A 11 -17.083 0.814 3.726 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -15.124 2.954 2.896 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -16.794 3.170 2.412 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -17.263 2.486 4.981 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -15.624 3.066 5.198 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -17.600 4.740 3.608 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -17.656 4.776 5.359 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -15.970 6.318 5.273 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -14.906 5.005 4.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -14.838 6.805 3.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -15.480 5.404 2.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -16.511 6.675 2.925 1.00 0.00 H new ATOM 179 N ARG A 12 -15.903 0.080 0.901 1.00 0.00 N ATOM 180 CA ARG A 12 -16.254 -0.300 -0.497 1.00 0.00 C ATOM 181 C ARG A 12 -15.990 -1.790 -0.706 1.00 0.00 C ATOM 182 O ARG A 12 -15.971 -2.275 -1.820 1.00 0.00 O ATOM 183 CB ARG A 12 -15.398 0.510 -1.473 1.00 0.00 C ATOM 184 CG ARG A 12 -16.283 1.072 -2.587 1.00 0.00 C ATOM 185 CD ARG A 12 -16.201 0.162 -3.813 1.00 0.00 C ATOM 186 NE ARG A 12 -17.569 -0.305 -4.176 1.00 0.00 N ATOM 187 CZ ARG A 12 -17.785 -0.853 -5.340 1.00 0.00 C ATOM 188 NH1 ARG A 12 -18.082 -0.106 -6.368 1.00 0.00 N ATOM 189 NH2 ARG A 12 -17.704 -2.149 -5.475 1.00 0.00 N ATOM 0 H ARG A 12 -14.996 -0.254 1.228 1.00 0.00 H new ATOM 0 HA ARG A 12 -17.309 -0.092 -0.675 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -14.899 1.323 -0.946 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -14.618 -0.121 -1.898 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -17.315 1.145 -2.244 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -15.961 2.080 -2.847 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -15.755 0.700 -4.649 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -15.557 -0.692 -3.603 1.00 0.00 H new ATOM 0 HE ARG A 12 -18.337 -0.196 -3.514 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -18.145 0.906 -6.261 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -18.251 -0.535 -7.278 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -17.472 -2.732 -4.671 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -17.873 -2.579 -6.385 1.00 0.00 H new ATOM 203 N ASN A 13 -15.782 -2.518 0.358 1.00 0.00 N ATOM 204 CA ASN A 13 -15.517 -3.978 0.227 1.00 0.00 C ATOM 205 C ASN A 13 -14.061 -4.205 -0.189 1.00 0.00 C ATOM 206 O ASN A 13 -13.586 -5.323 -0.218 1.00 0.00 O ATOM 207 CB ASN A 13 -16.447 -4.580 -0.829 1.00 0.00 C ATOM 208 CG ASN A 13 -17.072 -5.867 -0.287 1.00 0.00 C ATOM 209 OD1 ASN A 13 -17.089 -6.092 0.907 1.00 0.00 O ATOM 210 ND2 ASN A 13 -17.591 -6.727 -1.120 1.00 0.00 N ATOM 0 H ASN A 13 -15.784 -2.163 1.314 1.00 0.00 H new ATOM 0 HA ASN A 13 -15.699 -4.460 1.188 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -17.228 -3.866 -1.090 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -15.890 -4.791 -1.742 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -18.011 -7.588 -0.769 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -17.577 -6.538 -2.122 1.00 0.00 H new ATOM 217 N MET A 14 -13.342 -3.160 -0.508 1.00 0.00 N ATOM 218 CA MET A 14 -11.923 -3.340 -0.912 1.00 0.00 C ATOM 219 C MET A 14 -11.068 -3.541 0.344 1.00 0.00 C ATOM 220 O MET A 14 -10.650 -2.597 0.984 1.00 0.00 O ATOM 221 CB MET A 14 -11.453 -2.101 -1.677 1.00 0.00 C ATOM 222 CG MET A 14 -11.738 -2.282 -3.169 1.00 0.00 C ATOM 223 SD MET A 14 -10.707 -3.615 -3.826 1.00 0.00 S ATOM 224 CE MET A 14 -9.882 -2.648 -5.114 1.00 0.00 C ATOM 0 H MET A 14 -13.677 -2.197 -0.505 1.00 0.00 H new ATOM 0 HA MET A 14 -11.825 -4.213 -1.557 1.00 0.00 H new ATOM 0 HB2 MET A 14 -11.965 -1.214 -1.303 1.00 0.00 H new ATOM 0 HB3 MET A 14 -10.386 -1.945 -1.516 1.00 0.00 H new ATOM 0 HG2 MET A 14 -12.792 -2.514 -3.323 1.00 0.00 H new ATOM 0 HG3 MET A 14 -11.535 -1.354 -3.704 1.00 0.00 H new ATOM 0 HE1 MET A 14 -9.159 -3.277 -5.634 1.00 0.00 H new ATOM 0 HE2 MET A 14 -10.623 -2.282 -5.825 1.00 0.00 H new ATOM 0 HE3 MET A 14 -9.367 -1.802 -4.660 1.00 0.00 H new ATOM 234 N THR A 15 -10.813 -4.771 0.704 1.00 0.00 N ATOM 235 CA THR A 15 -9.996 -5.040 1.922 1.00 0.00 C ATOM 236 C THR A 15 -8.744 -4.166 1.908 1.00 0.00 C ATOM 237 O THR A 15 -8.282 -3.736 0.874 1.00 0.00 O ATOM 238 CB THR A 15 -9.593 -6.521 1.969 1.00 0.00 C ATOM 239 OG1 THR A 15 -10.101 -7.188 0.821 1.00 0.00 O ATOM 240 CG2 THR A 15 -10.184 -7.150 3.230 1.00 0.00 C ATOM 0 H THR A 15 -11.136 -5.601 0.207 1.00 0.00 H new ATOM 0 HA THR A 15 -10.590 -4.805 2.805 1.00 0.00 H new ATOM 0 HB THR A 15 -8.507 -6.611 1.983 1.00 0.00 H new ATOM 0 HG1 THR A 15 -9.842 -8.133 0.850 1.00 0.00 H new ATOM 0 HG21 THR A 15 -9.905 -8.203 3.276 1.00 0.00 H new ATOM 0 HG22 THR A 15 -9.799 -6.634 4.109 1.00 0.00 H new ATOM 0 HG23 THR A 15 -11.270 -7.063 3.205 1.00 0.00 H new ATOM 248 N VAL A 16 -8.195 -3.899 3.056 1.00 0.00 N ATOM 249 CA VAL A 16 -6.973 -3.056 3.123 1.00 0.00 C ATOM 250 C VAL A 16 -5.949 -3.749 4.013 1.00 0.00 C ATOM 251 O VAL A 16 -5.965 -3.598 5.219 1.00 0.00 O ATOM 252 CB VAL A 16 -7.326 -1.694 3.723 1.00 0.00 C ATOM 253 CG1 VAL A 16 -6.090 -0.792 3.712 1.00 0.00 C ATOM 254 CG2 VAL A 16 -8.439 -1.050 2.894 1.00 0.00 C ATOM 0 H VAL A 16 -8.542 -4.230 3.956 1.00 0.00 H new ATOM 0 HA VAL A 16 -6.564 -2.915 2.123 1.00 0.00 H new ATOM 0 HB VAL A 16 -7.666 -1.825 4.750 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -6.344 0.178 4.140 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -5.298 -1.253 4.302 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -5.747 -0.657 2.686 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -8.693 -0.079 3.319 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -8.098 -0.919 1.867 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -9.319 -1.693 2.905 1.00 0.00 H new ATOM 264 N HIS A 17 -5.064 -4.517 3.445 1.00 0.00 N ATOM 265 CA HIS A 17 -4.057 -5.211 4.307 1.00 0.00 C ATOM 266 C HIS A 17 -2.642 -4.766 3.934 1.00 0.00 C ATOM 267 O HIS A 17 -2.002 -5.334 3.071 1.00 0.00 O ATOM 268 CB HIS A 17 -4.193 -6.731 4.163 1.00 0.00 C ATOM 269 CG HIS A 17 -5.532 -7.161 4.711 1.00 0.00 C ATOM 270 ND1 HIS A 17 -6.079 -6.582 5.846 1.00 0.00 N ATOM 271 CD2 HIS A 17 -6.446 -8.107 4.298 1.00 0.00 C ATOM 272 CE1 HIS A 17 -7.265 -7.174 6.076 1.00 0.00 C ATOM 273 NE2 HIS A 17 -7.536 -8.110 5.164 1.00 0.00 N ATOM 0 H HIS A 17 -4.990 -4.695 2.443 1.00 0.00 H new ATOM 0 HA HIS A 17 -4.243 -4.942 5.347 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -4.105 -7.019 3.115 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -3.388 -7.233 4.700 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -6.334 -8.747 3.435 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -7.918 -6.922 6.898 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -8.365 -8.702 5.112 1.00 0.00 H new ATOM 281 N PHE A 18 -2.155 -3.745 4.585 1.00 0.00 N ATOM 282 CA PHE A 18 -0.791 -3.232 4.290 1.00 0.00 C ATOM 283 C PHE A 18 0.268 -4.120 4.948 1.00 0.00 C ATOM 284 O PHE A 18 0.213 -4.409 6.127 1.00 0.00 O ATOM 285 CB PHE A 18 -0.666 -1.816 4.847 1.00 0.00 C ATOM 286 CG PHE A 18 -1.393 -0.860 3.941 1.00 0.00 C ATOM 287 CD1 PHE A 18 -0.764 -0.386 2.790 1.00 0.00 C ATOM 288 CD2 PHE A 18 -2.696 -0.445 4.250 1.00 0.00 C ATOM 289 CE1 PHE A 18 -1.432 0.499 1.945 1.00 0.00 C ATOM 290 CE2 PHE A 18 -3.364 0.443 3.404 1.00 0.00 C ATOM 291 CZ PHE A 18 -2.734 0.915 2.250 1.00 0.00 C ATOM 0 H PHE A 18 -2.653 -3.239 5.318 1.00 0.00 H new ATOM 0 HA PHE A 18 -0.635 -3.235 3.211 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -1.083 -1.770 5.853 1.00 0.00 H new ATOM 0 HB3 PHE A 18 0.384 -1.535 4.924 1.00 0.00 H new ATOM 0 HD1 PHE A 18 0.240 -0.705 2.553 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -3.183 -0.812 5.142 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -0.944 0.865 1.053 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -4.367 0.765 3.642 1.00 0.00 H new ATOM 0 HZ PHE A 18 -3.250 1.600 1.594 1.00 0.00 H new ATOM 301 N LYS A 19 1.240 -4.540 4.188 1.00 0.00 N ATOM 302 CA LYS A 19 2.324 -5.393 4.736 1.00 0.00 C ATOM 303 C LYS A 19 3.592 -5.140 3.918 1.00 0.00 C ATOM 304 O LYS A 19 3.671 -5.500 2.761 1.00 0.00 O ATOM 305 CB LYS A 19 1.928 -6.867 4.625 1.00 0.00 C ATOM 306 CG LYS A 19 0.898 -7.202 5.707 1.00 0.00 C ATOM 307 CD LYS A 19 0.455 -8.659 5.557 1.00 0.00 C ATOM 308 CE LYS A 19 -1.020 -8.785 5.943 1.00 0.00 C ATOM 309 NZ LYS A 19 -1.282 -10.157 6.465 1.00 0.00 N ATOM 0 H LYS A 19 1.328 -4.323 3.195 1.00 0.00 H new ATOM 0 HA LYS A 19 2.496 -5.153 5.785 1.00 0.00 H new ATOM 0 HB2 LYS A 19 1.513 -7.070 3.638 1.00 0.00 H new ATOM 0 HB3 LYS A 19 2.808 -7.500 4.737 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.328 -7.042 6.696 1.00 0.00 H new ATOM 0 HG3 LYS A 19 0.037 -6.539 5.622 1.00 0.00 H new ATOM 0 HD2 LYS A 19 0.603 -8.991 4.530 1.00 0.00 H new ATOM 0 HD3 LYS A 19 1.064 -9.303 6.191 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -1.274 -8.042 6.699 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -1.652 -8.587 5.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -2.285 -10.243 6.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -1.055 -10.857 5.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -0.689 -10.329 7.302 1.00 0.00 H new ATOM 323 N VAL A 20 4.579 -4.520 4.497 1.00 0.00 N ATOM 324 CA VAL A 20 5.826 -4.247 3.730 1.00 0.00 C ATOM 325 C VAL A 20 6.661 -5.523 3.667 1.00 0.00 C ATOM 326 O VAL A 20 7.061 -6.069 4.677 1.00 0.00 O ATOM 327 CB VAL A 20 6.610 -3.129 4.414 1.00 0.00 C ATOM 328 CG1 VAL A 20 7.961 -2.952 3.720 1.00 0.00 C ATOM 329 CG2 VAL A 20 5.811 -1.825 4.313 1.00 0.00 C ATOM 0 H VAL A 20 4.578 -4.191 5.463 1.00 0.00 H new ATOM 0 HA VAL A 20 5.581 -3.931 2.716 1.00 0.00 H new ATOM 0 HB VAL A 20 6.774 -3.383 5.461 1.00 0.00 H new ATOM 0 HG11 VAL A 20 8.519 -2.154 4.209 1.00 0.00 H new ATOM 0 HG12 VAL A 20 8.527 -3.882 3.782 1.00 0.00 H new ATOM 0 HG13 VAL A 20 7.801 -2.694 2.673 1.00 0.00 H new ATOM 0 HG21 VAL A 20 6.364 -1.021 4.799 1.00 0.00 H new ATOM 0 HG22 VAL A 20 5.654 -1.575 3.264 1.00 0.00 H new ATOM 0 HG23 VAL A 20 4.846 -1.951 4.804 1.00 0.00 H new ATOM 339 N LEU A 21 6.904 -6.014 2.483 1.00 0.00 N ATOM 340 CA LEU A 21 7.688 -7.271 2.345 1.00 0.00 C ATOM 341 C LEU A 21 8.966 -7.025 1.541 1.00 0.00 C ATOM 342 O LEU A 21 9.643 -7.953 1.146 1.00 0.00 O ATOM 343 CB LEU A 21 6.835 -8.314 1.625 1.00 0.00 C ATOM 344 CG LEU A 21 5.963 -7.633 0.578 1.00 0.00 C ATOM 345 CD1 LEU A 21 5.766 -8.570 -0.615 1.00 0.00 C ATOM 346 CD2 LEU A 21 4.617 -7.328 1.217 1.00 0.00 C ATOM 0 H LEU A 21 6.593 -5.598 1.605 1.00 0.00 H new ATOM 0 HA LEU A 21 7.963 -7.626 3.338 1.00 0.00 H new ATOM 0 HB2 LEU A 21 7.476 -9.057 1.150 1.00 0.00 H new ATOM 0 HB3 LEU A 21 6.210 -8.845 2.343 1.00 0.00 H new ATOM 0 HG LEU A 21 6.435 -6.715 0.228 1.00 0.00 H new ATOM 0 HD11 LEU A 21 5.142 -8.081 -1.363 1.00 0.00 H new ATOM 0 HD12 LEU A 21 6.735 -8.811 -1.052 1.00 0.00 H new ATOM 0 HD13 LEU A 21 5.281 -9.487 -0.281 1.00 0.00 H new ATOM 0 HD21 LEU A 21 3.971 -6.839 0.488 1.00 0.00 H new ATOM 0 HD22 LEU A 21 4.153 -8.257 1.548 1.00 0.00 H new ATOM 0 HD23 LEU A 21 4.762 -6.669 2.073 1.00 0.00 H new ATOM 358 N ARG A 22 9.304 -5.792 1.286 1.00 0.00 N ATOM 359 CA ARG A 22 10.541 -5.523 0.496 1.00 0.00 C ATOM 360 C ARG A 22 11.334 -4.377 1.125 1.00 0.00 C ATOM 361 O ARG A 22 10.793 -3.535 1.815 1.00 0.00 O ATOM 362 CB ARG A 22 10.158 -5.145 -0.934 1.00 0.00 C ATOM 363 CG ARG A 22 10.137 -6.399 -1.811 1.00 0.00 C ATOM 364 CD ARG A 22 11.070 -6.201 -3.008 1.00 0.00 C ATOM 365 NE ARG A 22 10.477 -6.845 -4.213 1.00 0.00 N ATOM 366 CZ ARG A 22 10.941 -6.564 -5.401 1.00 0.00 C ATOM 367 NH1 ARG A 22 12.190 -6.811 -5.689 1.00 0.00 N ATOM 368 NH2 ARG A 22 10.157 -6.038 -6.301 1.00 0.00 N ATOM 0 H ARG A 22 8.785 -4.966 1.586 1.00 0.00 H new ATOM 0 HA ARG A 22 11.158 -6.421 0.491 1.00 0.00 H new ATOM 0 HB2 ARG A 22 9.179 -4.666 -0.944 1.00 0.00 H new ATOM 0 HB3 ARG A 22 10.870 -4.423 -1.333 1.00 0.00 H new ATOM 0 HG2 ARG A 22 10.452 -7.267 -1.231 1.00 0.00 H new ATOM 0 HG3 ARG A 22 9.122 -6.597 -2.156 1.00 0.00 H new ATOM 0 HD2 ARG A 22 11.224 -5.137 -3.190 1.00 0.00 H new ATOM 0 HD3 ARG A 22 12.048 -6.633 -2.796 1.00 0.00 H new ATOM 0 HE ARG A 22 9.707 -7.506 -4.110 1.00 0.00 H new ATOM 0 HH11 ARG A 22 12.803 -7.223 -4.986 1.00 0.00 H new ATOM 0 HH12 ARG A 22 12.552 -6.592 -6.617 1.00 0.00 H new ATOM 0 HH21 ARG A 22 9.181 -5.846 -6.077 1.00 0.00 H new ATOM 0 HH22 ARG A 22 10.520 -5.819 -7.229 1.00 0.00 H new ATOM 382 N GLU A 23 12.616 -4.339 0.882 1.00 0.00 N ATOM 383 CA GLU A 23 13.459 -3.250 1.449 1.00 0.00 C ATOM 384 C GLU A 23 14.554 -2.892 0.443 1.00 0.00 C ATOM 385 O GLU A 23 15.725 -2.865 0.765 1.00 0.00 O ATOM 386 CB GLU A 23 14.102 -3.724 2.755 1.00 0.00 C ATOM 387 CG GLU A 23 13.088 -4.540 3.559 1.00 0.00 C ATOM 388 CD GLU A 23 13.814 -5.307 4.666 1.00 0.00 C ATOM 389 OE1 GLU A 23 14.810 -5.942 4.364 1.00 0.00 O ATOM 390 OE2 GLU A 23 13.361 -5.246 5.798 1.00 0.00 O ATOM 0 H GLU A 23 13.118 -5.020 0.312 1.00 0.00 H new ATOM 0 HA GLU A 23 12.841 -2.375 1.650 1.00 0.00 H new ATOM 0 HB2 GLU A 23 14.983 -4.329 2.540 1.00 0.00 H new ATOM 0 HB3 GLU A 23 14.439 -2.867 3.338 1.00 0.00 H new ATOM 0 HG2 GLU A 23 12.336 -3.881 3.992 1.00 0.00 H new ATOM 0 HG3 GLU A 23 12.563 -5.235 2.904 1.00 0.00 H new ATOM 397 N GLU A 24 14.180 -2.621 -0.779 1.00 0.00 N ATOM 398 CA GLU A 24 15.195 -2.271 -1.811 1.00 0.00 C ATOM 399 C GLU A 24 16.194 -1.269 -1.231 1.00 0.00 C ATOM 400 O GLU A 24 15.843 -0.159 -0.881 1.00 0.00 O ATOM 401 CB GLU A 24 14.496 -1.652 -3.023 1.00 0.00 C ATOM 402 CG GLU A 24 14.979 -2.342 -4.300 1.00 0.00 C ATOM 403 CD GLU A 24 15.668 -1.319 -5.204 1.00 0.00 C ATOM 404 OE1 GLU A 24 16.044 -0.273 -4.703 1.00 0.00 O ATOM 405 OE2 GLU A 24 15.808 -1.600 -6.383 1.00 0.00 O ATOM 0 H GLU A 24 13.214 -2.627 -1.106 1.00 0.00 H new ATOM 0 HA GLU A 24 15.725 -3.173 -2.117 1.00 0.00 H new ATOM 0 HB2 GLU A 24 13.416 -1.758 -2.926 1.00 0.00 H new ATOM 0 HB3 GLU A 24 14.708 -0.584 -3.072 1.00 0.00 H new ATOM 0 HG2 GLU A 24 15.670 -3.147 -4.052 1.00 0.00 H new ATOM 0 HG3 GLU A 24 14.136 -2.795 -4.822 1.00 0.00 H new ATOM 412 N GLY A 25 17.438 -1.649 -1.131 1.00 0.00 N ATOM 413 CA GLY A 25 18.460 -0.718 -0.577 1.00 0.00 C ATOM 414 C GLY A 25 19.595 -1.528 0.064 1.00 0.00 C ATOM 415 O GLY A 25 19.341 -2.443 0.821 1.00 0.00 O ATOM 0 H GLY A 25 17.791 -2.565 -1.409 1.00 0.00 H new ATOM 0 HA2 GLY A 25 18.855 -0.082 -1.369 1.00 0.00 H new ATOM 0 HA3 GLY A 25 18.005 -0.060 0.163 1.00 0.00 H new ATOM 419 N PRO A 26 20.815 -1.169 -0.256 1.00 0.00 N ATOM 420 CA PRO A 26 21.998 -1.858 0.288 1.00 0.00 C ATOM 421 C PRO A 26 22.032 -1.719 1.809 1.00 0.00 C ATOM 422 O PRO A 26 21.970 -2.689 2.537 1.00 0.00 O ATOM 423 CB PRO A 26 23.199 -1.141 -0.347 1.00 0.00 C ATOM 424 CG PRO A 26 22.647 -0.023 -1.269 1.00 0.00 C ATOM 425 CD PRO A 26 21.113 -0.058 -1.178 1.00 0.00 C ATOM 0 HA PRO A 26 21.997 -2.925 0.066 1.00 0.00 H new ATOM 0 HB2 PRO A 26 23.843 -0.718 0.424 1.00 0.00 H new ATOM 0 HB3 PRO A 26 23.805 -1.844 -0.919 1.00 0.00 H new ATOM 0 HG2 PRO A 26 23.026 0.951 -0.959 1.00 0.00 H new ATOM 0 HG3 PRO A 26 22.973 -0.179 -2.297 1.00 0.00 H new ATOM 0 HD2 PRO A 26 20.718 0.885 -0.801 1.00 0.00 H new ATOM 0 HD3 PRO A 26 20.662 -0.224 -2.156 1.00 0.00 H new ATOM 433 N ALA A 27 22.128 -0.514 2.292 1.00 0.00 N ATOM 434 CA ALA A 27 22.164 -0.297 3.764 1.00 0.00 C ATOM 435 C ALA A 27 21.536 1.059 4.089 1.00 0.00 C ATOM 436 O ALA A 27 22.001 1.780 4.950 1.00 0.00 O ATOM 437 CB ALA A 27 23.615 -0.314 4.246 1.00 0.00 C ATOM 0 H ALA A 27 22.183 0.334 1.728 1.00 0.00 H new ATOM 0 HA ALA A 27 21.606 -1.089 4.264 1.00 0.00 H new ATOM 0 HB1 ALA A 27 23.642 -0.155 5.324 1.00 0.00 H new ATOM 0 HB2 ALA A 27 24.066 -1.278 4.010 1.00 0.00 H new ATOM 0 HB3 ALA A 27 24.173 0.479 3.748 1.00 0.00 H new ATOM 443 N HIS A 28 20.484 1.414 3.404 1.00 0.00 N ATOM 444 CA HIS A 28 19.831 2.727 3.672 1.00 0.00 C ATOM 445 C HIS A 28 18.317 2.585 3.497 1.00 0.00 C ATOM 446 O HIS A 28 17.754 1.531 3.721 1.00 0.00 O ATOM 447 CB HIS A 28 20.360 3.780 2.691 1.00 0.00 C ATOM 448 CG HIS A 28 21.744 3.402 2.233 1.00 0.00 C ATOM 449 ND1 HIS A 28 22.855 3.523 3.053 1.00 0.00 N ATOM 450 CD2 HIS A 28 22.210 2.898 1.044 1.00 0.00 C ATOM 451 CE1 HIS A 28 23.924 3.099 2.353 1.00 0.00 C ATOM 452 NE2 HIS A 28 23.586 2.707 1.122 1.00 0.00 N ATOM 0 H HIS A 28 20.049 0.853 2.672 1.00 0.00 H new ATOM 0 HA HIS A 28 20.056 3.040 4.692 1.00 0.00 H new ATOM 0 HB2 HIS A 28 19.692 3.859 1.833 1.00 0.00 H new ATOM 0 HB3 HIS A 28 20.380 4.759 3.170 1.00 0.00 H new ATOM 0 HD2 HIS A 28 21.601 2.682 0.179 1.00 0.00 H new ATOM 0 HE1 HIS A 28 24.932 3.078 2.740 1.00 0.00 H new ATOM 0 HE2 HIS A 28 24.204 2.345 0.395 1.00 0.00 H new ATOM 460 N MET A 29 17.655 3.635 3.094 1.00 0.00 N ATOM 461 CA MET A 29 16.179 3.555 2.905 1.00 0.00 C ATOM 462 C MET A 29 15.822 4.000 1.485 1.00 0.00 C ATOM 463 O MET A 29 15.269 5.063 1.279 1.00 0.00 O ATOM 464 CB MET A 29 15.483 4.468 3.917 1.00 0.00 C ATOM 465 CG MET A 29 16.137 5.851 3.892 1.00 0.00 C ATOM 466 SD MET A 29 14.931 7.099 4.405 1.00 0.00 S ATOM 467 CE MET A 29 14.898 6.678 6.163 1.00 0.00 C ATOM 0 H MET A 29 18.071 4.543 2.888 1.00 0.00 H new ATOM 0 HA MET A 29 15.849 2.527 3.058 1.00 0.00 H new ATOM 0 HB2 MET A 29 14.423 4.551 3.678 1.00 0.00 H new ATOM 0 HB3 MET A 29 15.552 4.040 4.917 1.00 0.00 H new ATOM 0 HG2 MET A 29 17.000 5.869 4.558 1.00 0.00 H new ATOM 0 HG3 MET A 29 16.503 6.074 2.890 1.00 0.00 H new ATOM 0 HE1 MET A 29 14.316 7.424 6.705 1.00 0.00 H new ATOM 0 HE2 MET A 29 14.442 5.697 6.294 1.00 0.00 H new ATOM 0 HE3 MET A 29 15.916 6.659 6.552 1.00 0.00 H new ATOM 477 N LYS A 30 16.132 3.197 0.504 1.00 0.00 N ATOM 478 CA LYS A 30 15.808 3.577 -0.899 1.00 0.00 C ATOM 479 C LYS A 30 14.307 3.399 -1.143 1.00 0.00 C ATOM 480 O LYS A 30 13.511 4.252 -0.807 1.00 0.00 O ATOM 481 CB LYS A 30 16.600 2.689 -1.862 1.00 0.00 C ATOM 482 CG LYS A 30 17.964 3.326 -2.141 1.00 0.00 C ATOM 483 CD LYS A 30 18.011 3.826 -3.586 1.00 0.00 C ATOM 484 CE LYS A 30 19.403 4.385 -3.888 1.00 0.00 C ATOM 485 NZ LYS A 30 19.300 5.440 -4.936 1.00 0.00 N ATOM 0 H LYS A 30 16.595 2.295 0.614 1.00 0.00 H new ATOM 0 HA LYS A 30 16.077 4.620 -1.067 1.00 0.00 H new ATOM 0 HB2 LYS A 30 16.732 1.696 -1.432 1.00 0.00 H new ATOM 0 HB3 LYS A 30 16.049 2.563 -2.794 1.00 0.00 H new ATOM 0 HG2 LYS A 30 18.138 4.154 -1.453 1.00 0.00 H new ATOM 0 HG3 LYS A 30 18.758 2.599 -1.971 1.00 0.00 H new ATOM 0 HD2 LYS A 30 17.778 3.011 -4.272 1.00 0.00 H new ATOM 0 HD3 LYS A 30 17.256 4.597 -3.740 1.00 0.00 H new ATOM 0 HE2 LYS A 30 19.844 4.800 -2.982 1.00 0.00 H new ATOM 0 HE3 LYS A 30 20.062 3.585 -4.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 20.246 5.819 -5.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 18.896 5.030 -5.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 18.685 6.207 -4.597 1.00 0.00 H new ATOM 499 N ASN A 31 13.907 2.298 -1.721 1.00 0.00 N ATOM 500 CA ASN A 31 12.456 2.084 -1.975 1.00 0.00 C ATOM 501 C ASN A 31 11.993 0.815 -1.261 1.00 0.00 C ATOM 502 O ASN A 31 12.779 -0.057 -0.945 1.00 0.00 O ATOM 503 CB ASN A 31 12.210 1.940 -3.477 1.00 0.00 C ATOM 504 CG ASN A 31 12.806 3.144 -4.208 1.00 0.00 C ATOM 505 OD1 ASN A 31 13.259 4.085 -3.585 1.00 0.00 O ATOM 506 ND2 ASN A 31 12.827 3.157 -5.513 1.00 0.00 N ATOM 0 H ASN A 31 14.520 1.542 -2.026 1.00 0.00 H new ATOM 0 HA ASN A 31 11.896 2.940 -1.597 1.00 0.00 H new ATOM 0 HB2 ASN A 31 12.661 1.018 -3.844 1.00 0.00 H new ATOM 0 HB3 ASN A 31 11.141 1.873 -3.677 1.00 0.00 H new ATOM 0 HD21 ASN A 31 13.223 3.956 -6.009 1.00 0.00 H new ATOM 0 HD22 ASN A 31 12.447 2.369 -6.037 1.00 0.00 H new ATOM 513 N PHE A 32 10.721 0.707 -1.004 1.00 0.00 N ATOM 514 CA PHE A 32 10.196 -0.501 -0.311 1.00 0.00 C ATOM 515 C PHE A 32 8.909 -0.952 -0.999 1.00 0.00 C ATOM 516 O PHE A 32 8.034 -0.151 -1.277 1.00 0.00 O ATOM 517 CB PHE A 32 9.891 -0.158 1.150 1.00 0.00 C ATOM 518 CG PHE A 32 11.162 -0.218 1.964 1.00 0.00 C ATOM 519 CD1 PHE A 32 12.185 0.709 1.736 1.00 0.00 C ATOM 520 CD2 PHE A 32 11.314 -1.199 2.951 1.00 0.00 C ATOM 521 CE1 PHE A 32 13.362 0.653 2.494 1.00 0.00 C ATOM 522 CE2 PHE A 32 12.490 -1.256 3.707 1.00 0.00 C ATOM 523 CZ PHE A 32 13.515 -0.329 3.478 1.00 0.00 C ATOM 0 H PHE A 32 10.019 1.406 -1.245 1.00 0.00 H new ATOM 0 HA PHE A 32 10.938 -1.298 -0.352 1.00 0.00 H new ATOM 0 HB2 PHE A 32 9.453 0.838 1.216 1.00 0.00 H new ATOM 0 HB3 PHE A 32 9.157 -0.857 1.552 1.00 0.00 H new ATOM 0 HD1 PHE A 32 12.067 1.467 0.976 1.00 0.00 H new ATOM 0 HD2 PHE A 32 10.523 -1.912 3.129 1.00 0.00 H new ATOM 0 HE1 PHE A 32 14.152 1.369 2.318 1.00 0.00 H new ATOM 0 HE2 PHE A 32 12.607 -2.014 4.467 1.00 0.00 H new ATOM 0 HZ PHE A 32 14.423 -0.373 4.061 1.00 0.00 H new ATOM 533 N ILE A 33 8.770 -2.224 -1.265 1.00 0.00 N ATOM 534 CA ILE A 33 7.525 -2.703 -1.922 1.00 0.00 C ATOM 535 C ILE A 33 6.511 -3.044 -0.842 1.00 0.00 C ATOM 536 O ILE A 33 6.533 -4.110 -0.260 1.00 0.00 O ATOM 537 CB ILE A 33 7.810 -3.948 -2.764 1.00 0.00 C ATOM 538 CG1 ILE A 33 9.188 -3.825 -3.420 1.00 0.00 C ATOM 539 CG2 ILE A 33 6.740 -4.084 -3.848 1.00 0.00 C ATOM 540 CD1 ILE A 33 9.156 -2.714 -4.469 1.00 0.00 C ATOM 0 H ILE A 33 9.461 -2.945 -1.057 1.00 0.00 H new ATOM 0 HA ILE A 33 7.137 -1.923 -2.577 1.00 0.00 H new ATOM 0 HB ILE A 33 7.795 -4.829 -2.122 1.00 0.00 H new ATOM 0 HG12 ILE A 33 9.943 -3.606 -2.665 1.00 0.00 H new ATOM 0 HG13 ILE A 33 9.467 -4.771 -3.885 1.00 0.00 H new ATOM 0 HG21 ILE A 33 6.942 -4.971 -4.449 1.00 0.00 H new ATOM 0 HG22 ILE A 33 5.759 -4.177 -3.382 1.00 0.00 H new ATOM 0 HG23 ILE A 33 6.755 -3.201 -4.487 1.00 0.00 H new ATOM 0 HD11 ILE A 33 10.137 -2.626 -4.936 1.00 0.00 H new ATOM 0 HD12 ILE A 33 8.412 -2.953 -5.229 1.00 0.00 H new ATOM 0 HD13 ILE A 33 8.896 -1.770 -3.991 1.00 0.00 H new ATOM 552 N THR A 34 5.624 -2.139 -0.565 1.00 0.00 N ATOM 553 CA THR A 34 4.605 -2.394 0.484 1.00 0.00 C ATOM 554 C THR A 34 3.399 -3.074 -0.153 1.00 0.00 C ATOM 555 O THR A 34 2.698 -2.494 -0.957 1.00 0.00 O ATOM 556 CB THR A 34 4.173 -1.069 1.113 1.00 0.00 C ATOM 557 OG1 THR A 34 5.239 -0.554 1.901 1.00 0.00 O ATOM 558 CG2 THR A 34 2.943 -1.297 1.994 1.00 0.00 C ATOM 0 H THR A 34 5.559 -1.229 -1.021 1.00 0.00 H new ATOM 0 HA THR A 34 5.025 -3.036 1.258 1.00 0.00 H new ATOM 0 HB THR A 34 3.924 -0.355 0.328 1.00 0.00 H new ATOM 0 HG1 THR A 34 6.075 -1.003 1.654 1.00 0.00 H new ATOM 0 HG21 THR A 34 2.636 -0.352 2.442 1.00 0.00 H new ATOM 0 HG22 THR A 34 2.129 -1.692 1.387 1.00 0.00 H new ATOM 0 HG23 THR A 34 3.187 -2.010 2.782 1.00 0.00 H new ATOM 566 N ALA A 35 3.160 -4.304 0.199 1.00 0.00 N ATOM 567 CA ALA A 35 2.005 -5.033 -0.391 1.00 0.00 C ATOM 568 C ALA A 35 0.720 -4.599 0.301 1.00 0.00 C ATOM 569 O ALA A 35 0.543 -4.798 1.480 1.00 0.00 O ATOM 570 CB ALA A 35 2.207 -6.523 -0.188 1.00 0.00 C ATOM 0 H ALA A 35 3.714 -4.837 0.870 1.00 0.00 H new ATOM 0 HA ALA A 35 1.934 -4.809 -1.455 1.00 0.00 H new ATOM 0 HB1 ALA A 35 1.365 -7.066 -0.617 1.00 0.00 H new ATOM 0 HB2 ALA A 35 3.129 -6.835 -0.679 1.00 0.00 H new ATOM 0 HB3 ALA A 35 2.273 -6.739 0.878 1.00 0.00 H new ATOM 576 N CYS A 36 -0.190 -4.015 -0.423 1.00 0.00 N ATOM 577 CA CYS A 36 -1.461 -3.578 0.215 1.00 0.00 C ATOM 578 C CYS A 36 -2.601 -4.379 -0.412 1.00 0.00 C ATOM 579 O CYS A 36 -2.847 -4.298 -1.595 1.00 0.00 O ATOM 580 CB CYS A 36 -1.689 -2.068 0.004 1.00 0.00 C ATOM 581 SG CYS A 36 -0.372 -1.345 -1.018 1.00 0.00 S ATOM 0 H CYS A 36 -0.111 -3.822 -1.421 1.00 0.00 H new ATOM 0 HA CYS A 36 -1.417 -3.756 1.290 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -2.655 -1.906 -0.474 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -1.723 -1.564 0.970 1.00 0.00 H new ATOM 0 HG CYS A 36 -0.572 -1.652 -2.265 1.00 0.00 H new ATOM 587 N ILE A 37 -3.272 -5.184 0.365 1.00 0.00 N ATOM 588 CA ILE A 37 -4.364 -6.022 -0.205 1.00 0.00 C ATOM 589 C ILE A 37 -5.643 -5.209 -0.397 1.00 0.00 C ATOM 590 O ILE A 37 -6.126 -4.560 0.520 1.00 0.00 O ATOM 591 CB ILE A 37 -4.639 -7.222 0.730 1.00 0.00 C ATOM 592 CG1 ILE A 37 -4.857 -8.482 -0.108 1.00 0.00 C ATOM 593 CG2 ILE A 37 -5.893 -7.002 1.600 1.00 0.00 C ATOM 594 CD1 ILE A 37 -6.262 -8.461 -0.703 1.00 0.00 C ATOM 0 H ILE A 37 -3.112 -5.298 1.366 1.00 0.00 H new ATOM 0 HA ILE A 37 -4.044 -6.383 -1.182 1.00 0.00 H new ATOM 0 HB ILE A 37 -3.774 -7.327 1.385 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -4.114 -8.535 -0.904 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -4.726 -9.370 0.510 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -6.048 -7.870 2.241 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -5.756 -6.114 2.218 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -6.763 -6.866 0.957 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -6.418 -9.359 -1.301 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -6.997 -8.428 0.101 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -6.376 -7.580 -1.335 1.00 0.00 H new ATOM 606 N VAL A 38 -6.203 -5.311 -1.579 1.00 0.00 N ATOM 607 CA VAL A 38 -7.491 -4.633 -1.908 1.00 0.00 C ATOM 608 C VAL A 38 -8.542 -5.723 -2.117 1.00 0.00 C ATOM 609 O VAL A 38 -8.232 -6.793 -2.605 1.00 0.00 O ATOM 610 CB VAL A 38 -7.365 -3.836 -3.208 1.00 0.00 C ATOM 611 CG1 VAL A 38 -7.286 -2.345 -2.888 1.00 0.00 C ATOM 612 CG2 VAL A 38 -6.113 -4.286 -3.966 1.00 0.00 C ATOM 0 H VAL A 38 -5.807 -5.852 -2.348 1.00 0.00 H new ATOM 0 HA VAL A 38 -7.763 -3.952 -1.101 1.00 0.00 H new ATOM 0 HB VAL A 38 -8.239 -4.015 -3.834 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -7.196 -1.778 -3.815 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -8.189 -2.038 -2.361 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -6.416 -2.153 -2.260 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -6.024 -3.718 -4.892 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -5.232 -4.113 -3.348 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -6.190 -5.348 -4.198 1.00 0.00 H new ATOM 622 N GLY A 39 -9.769 -5.465 -1.756 1.00 0.00 N ATOM 623 CA GLY A 39 -10.841 -6.492 -1.925 1.00 0.00 C ATOM 624 C GLY A 39 -10.871 -6.996 -3.368 1.00 0.00 C ATOM 625 O GLY A 39 -11.632 -6.518 -4.188 1.00 0.00 O ATOM 0 H GLY A 39 -10.079 -4.583 -1.349 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -10.666 -7.326 -1.245 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -11.808 -6.064 -1.662 1.00 0.00 H new ATOM 629 N SER A 40 -10.052 -7.961 -3.678 1.00 0.00 N ATOM 630 CA SER A 40 -10.018 -8.516 -5.058 1.00 0.00 C ATOM 631 C SER A 40 -8.685 -9.232 -5.258 1.00 0.00 C ATOM 632 O SER A 40 -8.625 -10.338 -5.756 1.00 0.00 O ATOM 633 CB SER A 40 -10.142 -7.380 -6.074 1.00 0.00 C ATOM 634 OG SER A 40 -11.501 -7.252 -6.472 1.00 0.00 O ATOM 0 H SER A 40 -9.397 -8.393 -3.026 1.00 0.00 H new ATOM 0 HA SER A 40 -10.845 -9.211 -5.200 1.00 0.00 H new ATOM 0 HB2 SER A 40 -9.790 -6.446 -5.637 1.00 0.00 H new ATOM 0 HB3 SER A 40 -9.514 -7.583 -6.942 1.00 0.00 H new ATOM 0 HG SER A 40 -11.976 -6.680 -5.834 1.00 0.00 H new ATOM 640 N ILE A 41 -7.612 -8.599 -4.870 1.00 0.00 N ATOM 641 CA ILE A 41 -6.270 -9.215 -5.026 1.00 0.00 C ATOM 642 C ILE A 41 -5.265 -8.359 -4.259 1.00 0.00 C ATOM 643 O ILE A 41 -5.629 -7.390 -3.626 1.00 0.00 O ATOM 644 CB ILE A 41 -5.855 -9.250 -6.502 1.00 0.00 C ATOM 645 CG1 ILE A 41 -6.824 -8.433 -7.370 1.00 0.00 C ATOM 646 CG2 ILE A 41 -5.831 -10.697 -6.994 1.00 0.00 C ATOM 647 CD1 ILE A 41 -6.897 -6.997 -6.849 1.00 0.00 C ATOM 0 H ILE A 41 -7.611 -7.671 -4.447 1.00 0.00 H new ATOM 0 HA ILE A 41 -6.297 -10.236 -4.646 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.861 -8.810 -6.587 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -6.490 -8.437 -8.408 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -7.815 -8.887 -7.352 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.536 -10.720 -8.043 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -5.116 -11.270 -6.403 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -6.824 -11.134 -6.887 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -7.585 -6.420 -7.467 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -7.252 -7.001 -5.818 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -5.906 -6.544 -6.890 1.00 0.00 H new ATOM 659 N VAL A 42 -4.004 -8.684 -4.318 1.00 0.00 N ATOM 660 CA VAL A 42 -3.009 -7.846 -3.596 1.00 0.00 C ATOM 661 C VAL A 42 -2.527 -6.745 -4.525 1.00 0.00 C ATOM 662 O VAL A 42 -2.533 -6.878 -5.733 1.00 0.00 O ATOM 663 CB VAL A 42 -1.792 -8.663 -3.151 1.00 0.00 C ATOM 664 CG1 VAL A 42 -1.487 -8.357 -1.685 1.00 0.00 C ATOM 665 CG2 VAL A 42 -2.065 -10.161 -3.320 1.00 0.00 C ATOM 0 H VAL A 42 -3.624 -9.482 -4.827 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.496 -7.438 -2.710 1.00 0.00 H new ATOM 0 HB VAL A 42 -0.936 -8.393 -3.769 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -0.621 -8.937 -1.365 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -1.274 -7.294 -1.572 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -2.348 -8.622 -1.071 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -1.191 -10.728 -3.000 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -2.925 -10.445 -2.713 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -2.274 -10.377 -4.368 1.00 0.00 H new ATOM 675 N THR A 43 -2.101 -5.664 -3.963 1.00 0.00 N ATOM 676 CA THR A 43 -1.600 -4.536 -4.782 1.00 0.00 C ATOM 677 C THR A 43 -0.525 -3.820 -3.971 1.00 0.00 C ATOM 678 O THR A 43 -0.811 -2.991 -3.137 1.00 0.00 O ATOM 679 CB THR A 43 -2.763 -3.590 -5.096 1.00 0.00 C ATOM 680 OG1 THR A 43 -3.631 -4.212 -6.034 1.00 0.00 O ATOM 681 CG2 THR A 43 -2.243 -2.276 -5.683 1.00 0.00 C ATOM 0 H THR A 43 -2.077 -5.508 -2.955 1.00 0.00 H new ATOM 0 HA THR A 43 -1.179 -4.885 -5.725 1.00 0.00 H new ATOM 0 HB THR A 43 -3.301 -3.374 -4.173 1.00 0.00 H new ATOM 0 HG1 THR A 43 -3.330 -5.130 -6.200 1.00 0.00 H new ATOM 0 HG21 THR A 43 -3.083 -1.617 -5.900 1.00 0.00 H new ATOM 0 HG22 THR A 43 -1.579 -1.794 -4.965 1.00 0.00 H new ATOM 0 HG23 THR A 43 -1.695 -2.480 -6.603 1.00 0.00 H new ATOM 689 N GLU A 44 0.712 -4.161 -4.176 1.00 0.00 N ATOM 690 CA GLU A 44 1.784 -3.510 -3.380 1.00 0.00 C ATOM 691 C GLU A 44 2.103 -2.136 -3.951 1.00 0.00 C ATOM 692 O GLU A 44 1.436 -1.641 -4.837 1.00 0.00 O ATOM 693 CB GLU A 44 3.049 -4.366 -3.403 1.00 0.00 C ATOM 694 CG GLU A 44 3.566 -4.478 -4.838 1.00 0.00 C ATOM 695 CD GLU A 44 3.491 -5.935 -5.294 1.00 0.00 C ATOM 696 OE1 GLU A 44 3.788 -6.803 -4.490 1.00 0.00 O ATOM 697 OE2 GLU A 44 3.138 -6.159 -6.440 1.00 0.00 O ATOM 0 H GLU A 44 1.026 -4.856 -4.854 1.00 0.00 H new ATOM 0 HA GLU A 44 1.434 -3.404 -2.353 1.00 0.00 H new ATOM 0 HB2 GLU A 44 3.812 -3.922 -2.764 1.00 0.00 H new ATOM 0 HB3 GLU A 44 2.837 -5.358 -3.004 1.00 0.00 H new ATOM 0 HG2 GLU A 44 2.972 -3.848 -5.500 1.00 0.00 H new ATOM 0 HG3 GLU A 44 4.594 -4.120 -4.894 1.00 0.00 H new ATOM 704 N GLY A 45 3.124 -1.521 -3.436 1.00 0.00 N ATOM 705 CA GLY A 45 3.506 -0.165 -3.930 1.00 0.00 C ATOM 706 C GLY A 45 4.942 0.135 -3.510 1.00 0.00 C ATOM 707 O GLY A 45 5.254 0.193 -2.342 1.00 0.00 O ATOM 0 H GLY A 45 3.715 -1.895 -2.693 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.415 -0.121 -5.015 1.00 0.00 H new ATOM 0 HA3 GLY A 45 2.830 0.587 -3.523 1.00 0.00 H new ATOM 711 N GLU A 46 5.823 0.322 -4.449 1.00 0.00 N ATOM 712 CA GLU A 46 7.235 0.596 -4.085 1.00 0.00 C ATOM 713 C GLU A 46 7.391 2.050 -3.645 1.00 0.00 C ATOM 714 O GLU A 46 7.681 2.926 -4.437 1.00 0.00 O ATOM 715 CB GLU A 46 8.126 0.324 -5.293 1.00 0.00 C ATOM 716 CG GLU A 46 7.479 0.901 -6.555 1.00 0.00 C ATOM 717 CD GLU A 46 8.570 1.394 -7.508 1.00 0.00 C ATOM 718 OE1 GLU A 46 9.126 0.570 -8.218 1.00 0.00 O ATOM 719 OE2 GLU A 46 8.831 2.585 -7.513 1.00 0.00 O ATOM 0 H GLU A 46 5.626 0.297 -5.450 1.00 0.00 H new ATOM 0 HA GLU A 46 7.527 -0.053 -3.260 1.00 0.00 H new ATOM 0 HB2 GLU A 46 9.108 0.771 -5.140 1.00 0.00 H new ATOM 0 HB3 GLU A 46 8.279 -0.749 -5.410 1.00 0.00 H new ATOM 0 HG2 GLU A 46 6.870 0.141 -7.044 1.00 0.00 H new ATOM 0 HG3 GLU A 46 6.813 1.722 -6.292 1.00 0.00 H new ATOM 726 N GLY A 47 7.205 2.310 -2.379 1.00 0.00 N ATOM 727 CA GLY A 47 7.346 3.704 -1.876 1.00 0.00 C ATOM 728 C GLY A 47 8.830 4.073 -1.808 1.00 0.00 C ATOM 729 O GLY A 47 9.692 3.271 -2.108 1.00 0.00 O ATOM 0 H GLY A 47 6.961 1.616 -1.672 1.00 0.00 H new ATOM 0 HA2 GLY A 47 6.818 4.395 -2.534 1.00 0.00 H new ATOM 0 HA3 GLY A 47 6.892 3.794 -0.889 1.00 0.00 H new ATOM 733 N ASN A 48 9.135 5.282 -1.419 1.00 0.00 N ATOM 734 CA ASN A 48 10.564 5.701 -1.337 1.00 0.00 C ATOM 735 C ASN A 48 10.934 5.993 0.119 1.00 0.00 C ATOM 736 O ASN A 48 10.668 7.060 0.636 1.00 0.00 O ATOM 737 CB ASN A 48 10.771 6.963 -2.179 1.00 0.00 C ATOM 738 CG ASN A 48 9.930 8.103 -1.602 1.00 0.00 C ATOM 739 OD1 ASN A 48 8.718 8.027 -1.574 1.00 0.00 O ATOM 740 ND2 ASN A 48 10.527 9.167 -1.136 1.00 0.00 N ATOM 0 H ASN A 48 8.457 5.997 -1.155 1.00 0.00 H new ATOM 0 HA ASN A 48 11.199 4.900 -1.715 1.00 0.00 H new ATOM 0 HB2 ASN A 48 11.825 7.241 -2.185 1.00 0.00 H new ATOM 0 HB3 ASN A 48 10.486 6.774 -3.214 1.00 0.00 H new ATOM 0 HD21 ASN A 48 9.976 9.933 -0.749 1.00 0.00 H new ATOM 0 HD22 ASN A 48 11.545 9.232 -1.159 1.00 0.00 H new ATOM 747 N GLY A 49 11.552 5.054 0.782 1.00 0.00 N ATOM 748 CA GLY A 49 11.944 5.278 2.203 1.00 0.00 C ATOM 749 C GLY A 49 11.392 4.145 3.071 1.00 0.00 C ATOM 750 O GLY A 49 10.461 3.460 2.697 1.00 0.00 O ATOM 0 H GLY A 49 11.802 4.141 0.401 1.00 0.00 H new ATOM 0 HA2 GLY A 49 13.030 5.320 2.289 1.00 0.00 H new ATOM 0 HA3 GLY A 49 11.559 6.237 2.550 1.00 0.00 H new ATOM 754 N LYS A 50 11.960 3.943 4.227 1.00 0.00 N ATOM 755 CA LYS A 50 11.469 2.855 5.119 1.00 0.00 C ATOM 756 C LYS A 50 10.196 3.313 5.834 1.00 0.00 C ATOM 757 O LYS A 50 9.307 2.530 6.102 1.00 0.00 O ATOM 758 CB LYS A 50 12.544 2.523 6.156 1.00 0.00 C ATOM 759 CG LYS A 50 12.336 1.098 6.669 1.00 0.00 C ATOM 760 CD LYS A 50 13.497 0.711 7.586 1.00 0.00 C ATOM 761 CE LYS A 50 13.516 -0.806 7.775 1.00 0.00 C ATOM 762 NZ LYS A 50 14.624 -1.178 8.701 1.00 0.00 N ATOM 0 H LYS A 50 12.743 4.484 4.593 1.00 0.00 H new ATOM 0 HA LYS A 50 11.251 1.969 4.523 1.00 0.00 H new ATOM 0 HB2 LYS A 50 13.535 2.620 5.712 1.00 0.00 H new ATOM 0 HB3 LYS A 50 12.496 3.230 6.984 1.00 0.00 H new ATOM 0 HG2 LYS A 50 11.393 1.029 7.211 1.00 0.00 H new ATOM 0 HG3 LYS A 50 12.274 0.404 5.831 1.00 0.00 H new ATOM 0 HD2 LYS A 50 14.441 1.046 7.156 1.00 0.00 H new ATOM 0 HD3 LYS A 50 13.393 1.207 8.551 1.00 0.00 H new ATOM 0 HE2 LYS A 50 12.562 -1.145 8.178 1.00 0.00 H new ATOM 0 HE3 LYS A 50 13.650 -1.301 6.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 14.637 -2.210 8.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 15.531 -0.868 8.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 14.477 -0.716 9.621 1.00 0.00 H new ATOM 776 N LYS A 51 10.102 4.577 6.146 1.00 0.00 N ATOM 777 CA LYS A 51 8.886 5.084 6.842 1.00 0.00 C ATOM 778 C LYS A 51 7.913 5.664 5.815 1.00 0.00 C ATOM 779 O LYS A 51 7.173 6.585 6.097 1.00 0.00 O ATOM 780 CB LYS A 51 9.286 6.172 7.840 1.00 0.00 C ATOM 781 CG LYS A 51 8.778 5.797 9.233 1.00 0.00 C ATOM 782 CD LYS A 51 7.553 6.648 9.578 1.00 0.00 C ATOM 783 CE LYS A 51 6.554 5.806 10.373 1.00 0.00 C ATOM 784 NZ LYS A 51 5.680 6.703 11.181 1.00 0.00 N ATOM 0 H LYS A 51 10.814 5.280 5.949 1.00 0.00 H new ATOM 0 HA LYS A 51 8.404 4.264 7.374 1.00 0.00 H new ATOM 0 HB2 LYS A 51 10.370 6.286 7.855 1.00 0.00 H new ATOM 0 HB3 LYS A 51 8.869 7.132 7.535 1.00 0.00 H new ATOM 0 HG2 LYS A 51 8.519 4.739 9.264 1.00 0.00 H new ATOM 0 HG3 LYS A 51 9.563 5.955 9.972 1.00 0.00 H new ATOM 0 HD2 LYS A 51 7.854 7.519 10.160 1.00 0.00 H new ATOM 0 HD3 LYS A 51 7.087 7.020 8.666 1.00 0.00 H new ATOM 0 HE2 LYS A 51 5.948 5.205 9.695 1.00 0.00 H new ATOM 0 HE3 LYS A 51 7.085 5.113 11.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 5.001 6.131 11.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 6.265 7.258 11.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 5.164 7.347 10.548 1.00 0.00 H new ATOM 798 N VAL A 52 7.906 5.129 4.623 1.00 0.00 N ATOM 799 CA VAL A 52 6.979 5.649 3.579 1.00 0.00 C ATOM 800 C VAL A 52 6.333 4.471 2.843 1.00 0.00 C ATOM 801 O VAL A 52 5.171 4.509 2.501 1.00 0.00 O ATOM 802 CB VAL A 52 7.762 6.536 2.595 1.00 0.00 C ATOM 803 CG1 VAL A 52 8.260 5.723 1.389 1.00 0.00 C ATOM 804 CG2 VAL A 52 6.854 7.665 2.102 1.00 0.00 C ATOM 0 H VAL A 52 8.502 4.355 4.328 1.00 0.00 H new ATOM 0 HA VAL A 52 6.195 6.248 4.042 1.00 0.00 H new ATOM 0 HB VAL A 52 8.628 6.945 3.115 1.00 0.00 H new ATOM 0 HG11 VAL A 52 8.809 6.377 0.712 1.00 0.00 H new ATOM 0 HG12 VAL A 52 8.916 4.924 1.735 1.00 0.00 H new ATOM 0 HG13 VAL A 52 7.408 5.291 0.865 1.00 0.00 H new ATOM 0 HG21 VAL A 52 7.404 8.296 1.404 1.00 0.00 H new ATOM 0 HG22 VAL A 52 5.985 7.240 1.599 1.00 0.00 H new ATOM 0 HG23 VAL A 52 6.525 8.264 2.951 1.00 0.00 H new ATOM 814 N SER A 53 7.097 3.440 2.592 1.00 0.00 N ATOM 815 CA SER A 53 6.569 2.244 1.867 1.00 0.00 C ATOM 816 C SER A 53 5.088 2.035 2.187 1.00 0.00 C ATOM 817 O SER A 53 4.301 1.686 1.330 1.00 0.00 O ATOM 818 CB SER A 53 7.360 1.010 2.299 1.00 0.00 C ATOM 819 OG SER A 53 8.536 1.422 2.983 1.00 0.00 O ATOM 0 H SER A 53 8.078 3.374 2.862 1.00 0.00 H new ATOM 0 HA SER A 53 6.676 2.402 0.794 1.00 0.00 H new ATOM 0 HB2 SER A 53 6.750 0.381 2.947 1.00 0.00 H new ATOM 0 HB3 SER A 53 7.623 0.409 1.428 1.00 0.00 H new ATOM 0 HG SER A 53 8.873 0.681 3.529 1.00 0.00 H new ATOM 825 N LYS A 54 4.700 2.254 3.411 1.00 0.00 N ATOM 826 CA LYS A 54 3.267 2.078 3.782 1.00 0.00 C ATOM 827 C LYS A 54 2.439 3.181 3.122 1.00 0.00 C ATOM 828 O LYS A 54 1.473 2.920 2.434 1.00 0.00 O ATOM 829 CB LYS A 54 3.123 2.170 5.303 1.00 0.00 C ATOM 830 CG LYS A 54 2.746 0.798 5.867 1.00 0.00 C ATOM 831 CD LYS A 54 1.563 0.948 6.824 1.00 0.00 C ATOM 832 CE LYS A 54 1.793 0.075 8.060 1.00 0.00 C ATOM 833 NZ LYS A 54 1.419 -1.334 7.748 1.00 0.00 N ATOM 0 H LYS A 54 5.313 2.547 4.172 1.00 0.00 H new ATOM 0 HA LYS A 54 2.914 1.104 3.443 1.00 0.00 H new ATOM 0 HB2 LYS A 54 4.058 2.512 5.747 1.00 0.00 H new ATOM 0 HB3 LYS A 54 2.359 2.903 5.562 1.00 0.00 H new ATOM 0 HG2 LYS A 54 2.487 0.118 5.055 1.00 0.00 H new ATOM 0 HG3 LYS A 54 3.597 0.361 6.389 1.00 0.00 H new ATOM 0 HD2 LYS A 54 1.450 1.991 7.118 1.00 0.00 H new ATOM 0 HD3 LYS A 54 0.639 0.655 6.326 1.00 0.00 H new ATOM 0 HE2 LYS A 54 2.838 0.126 8.366 1.00 0.00 H new ATOM 0 HE3 LYS A 54 1.198 0.444 8.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 1.575 -1.928 8.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 0.416 -1.375 7.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 2.005 -1.683 6.963 1.00 0.00 H new ATOM 847 N LYS A 55 2.817 4.413 3.322 1.00 0.00 N ATOM 848 CA LYS A 55 2.060 5.538 2.703 1.00 0.00 C ATOM 849 C LYS A 55 2.002 5.342 1.185 1.00 0.00 C ATOM 850 O LYS A 55 0.941 5.256 0.599 1.00 0.00 O ATOM 851 CB LYS A 55 2.770 6.855 3.022 1.00 0.00 C ATOM 852 CG LYS A 55 1.927 8.030 2.523 1.00 0.00 C ATOM 853 CD LYS A 55 2.799 8.961 1.679 1.00 0.00 C ATOM 854 CE LYS A 55 3.175 10.193 2.504 1.00 0.00 C ATOM 855 NZ LYS A 55 1.975 11.060 2.677 1.00 0.00 N ATOM 0 H LYS A 55 3.619 4.690 3.888 1.00 0.00 H new ATOM 0 HA LYS A 55 1.046 5.562 3.102 1.00 0.00 H new ATOM 0 HB2 LYS A 55 2.931 6.941 4.097 1.00 0.00 H new ATOM 0 HB3 LYS A 55 3.752 6.873 2.550 1.00 0.00 H new ATOM 0 HG2 LYS A 55 1.088 7.664 1.931 1.00 0.00 H new ATOM 0 HG3 LYS A 55 1.507 8.575 3.368 1.00 0.00 H new ATOM 0 HD2 LYS A 55 3.699 8.439 1.354 1.00 0.00 H new ATOM 0 HD3 LYS A 55 2.263 9.262 0.779 1.00 0.00 H new ATOM 0 HE2 LYS A 55 3.560 9.889 3.477 1.00 0.00 H new ATOM 0 HE3 LYS A 55 3.970 10.749 2.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 2.276 12.047 2.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 1.372 10.991 1.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 1.439 10.748 3.512 1.00 0.00 H new ATOM 869 N ARG A 56 3.137 5.278 0.543 1.00 0.00 N ATOM 870 CA ARG A 56 3.156 5.096 -0.937 1.00 0.00 C ATOM 871 C ARG A 56 2.303 3.886 -1.330 1.00 0.00 C ATOM 872 O ARG A 56 1.552 3.940 -2.282 1.00 0.00 O ATOM 873 CB ARG A 56 4.598 4.888 -1.405 1.00 0.00 C ATOM 874 CG ARG A 56 5.108 6.170 -2.071 1.00 0.00 C ATOM 875 CD ARG A 56 4.858 7.368 -1.149 1.00 0.00 C ATOM 876 NE ARG A 56 4.221 8.471 -1.925 1.00 0.00 N ATOM 877 CZ ARG A 56 4.584 8.700 -3.158 1.00 0.00 C ATOM 878 NH1 ARG A 56 5.849 8.804 -3.457 1.00 0.00 N ATOM 879 NH2 ARG A 56 3.680 8.825 -4.092 1.00 0.00 N ATOM 0 H ARG A 56 4.056 5.344 0.982 1.00 0.00 H new ATOM 0 HA ARG A 56 2.744 5.986 -1.413 1.00 0.00 H new ATOM 0 HB2 ARG A 56 5.233 4.628 -0.558 1.00 0.00 H new ATOM 0 HB3 ARG A 56 4.647 4.056 -2.107 1.00 0.00 H new ATOM 0 HG2 ARG A 56 6.173 6.080 -2.286 1.00 0.00 H new ATOM 0 HG3 ARG A 56 4.602 6.321 -3.025 1.00 0.00 H new ATOM 0 HD2 ARG A 56 4.214 7.074 -0.320 1.00 0.00 H new ATOM 0 HD3 ARG A 56 5.798 7.710 -0.717 1.00 0.00 H new ATOM 0 HE ARG A 56 3.500 9.048 -1.491 1.00 0.00 H new ATOM 0 HH11 ARG A 56 6.555 8.706 -2.727 1.00 0.00 H new ATOM 0 HH12 ARG A 56 6.132 8.983 -4.420 1.00 0.00 H new ATOM 0 HH21 ARG A 56 2.690 8.744 -3.858 1.00 0.00 H new ATOM 0 HH22 ARG A 56 3.963 9.004 -5.055 1.00 0.00 H new ATOM 893 N ALA A 57 2.403 2.797 -0.615 1.00 0.00 N ATOM 894 CA ALA A 57 1.580 1.606 -0.970 1.00 0.00 C ATOM 895 C ALA A 57 0.106 2.025 -1.002 1.00 0.00 C ATOM 896 O ALA A 57 -0.600 1.785 -1.960 1.00 0.00 O ATOM 897 CB ALA A 57 1.775 0.492 0.074 1.00 0.00 C ATOM 0 H ALA A 57 3.014 2.681 0.193 1.00 0.00 H new ATOM 0 HA ALA A 57 1.888 1.227 -1.944 1.00 0.00 H new ATOM 0 HB1 ALA A 57 1.168 -0.372 -0.198 1.00 0.00 H new ATOM 0 HB2 ALA A 57 2.825 0.202 0.105 1.00 0.00 H new ATOM 0 HB3 ALA A 57 1.470 0.855 1.055 1.00 0.00 H new ATOM 903 N ALA A 58 -0.357 2.647 0.051 1.00 0.00 N ATOM 904 CA ALA A 58 -1.781 3.086 0.114 1.00 0.00 C ATOM 905 C ALA A 58 -2.116 3.965 -1.093 1.00 0.00 C ATOM 906 O ALA A 58 -3.097 3.738 -1.775 1.00 0.00 O ATOM 907 CB ALA A 58 -2.016 3.877 1.402 1.00 0.00 C ATOM 0 H ALA A 58 0.197 2.871 0.878 1.00 0.00 H new ATOM 0 HA ALA A 58 -2.424 2.206 0.102 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -3.057 4.198 1.447 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.793 3.246 2.262 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -1.366 4.752 1.415 1.00 0.00 H new ATOM 913 N GLU A 59 -1.321 4.962 -1.378 1.00 0.00 N ATOM 914 CA GLU A 59 -1.632 5.811 -2.558 1.00 0.00 C ATOM 915 C GLU A 59 -1.764 4.891 -3.760 1.00 0.00 C ATOM 916 O GLU A 59 -2.591 5.085 -4.621 1.00 0.00 O ATOM 917 CB GLU A 59 -0.504 6.810 -2.818 1.00 0.00 C ATOM 918 CG GLU A 59 -0.728 8.071 -1.981 1.00 0.00 C ATOM 919 CD GLU A 59 0.613 8.762 -1.731 1.00 0.00 C ATOM 920 OE1 GLU A 59 1.555 8.073 -1.374 1.00 0.00 O ATOM 921 OE2 GLU A 59 0.677 9.969 -1.901 1.00 0.00 O ATOM 0 H GLU A 59 -0.485 5.220 -0.854 1.00 0.00 H new ATOM 0 HA GLU A 59 -2.551 6.370 -2.379 1.00 0.00 H new ATOM 0 HB2 GLU A 59 0.457 6.361 -2.567 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -0.469 7.066 -3.877 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -1.407 8.748 -2.499 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -1.198 7.812 -1.032 1.00 0.00 H new ATOM 928 N LYS A 60 -0.953 3.875 -3.804 1.00 0.00 N ATOM 929 CA LYS A 60 -1.013 2.911 -4.929 1.00 0.00 C ATOM 930 C LYS A 60 -2.370 2.209 -4.902 1.00 0.00 C ATOM 931 O LYS A 60 -2.947 1.909 -5.924 1.00 0.00 O ATOM 932 CB LYS A 60 0.109 1.881 -4.761 1.00 0.00 C ATOM 933 CG LYS A 60 1.027 1.921 -5.984 1.00 0.00 C ATOM 934 CD LYS A 60 2.342 2.609 -5.613 1.00 0.00 C ATOM 935 CE LYS A 60 2.761 3.552 -6.742 1.00 0.00 C ATOM 936 NZ LYS A 60 3.706 2.846 -7.653 1.00 0.00 N ATOM 0 H LYS A 60 -0.244 3.671 -3.100 1.00 0.00 H new ATOM 0 HA LYS A 60 -0.889 3.428 -5.881 1.00 0.00 H new ATOM 0 HB2 LYS A 60 0.680 2.094 -3.857 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -0.314 0.883 -4.643 1.00 0.00 H new ATOM 0 HG2 LYS A 60 1.221 0.909 -6.339 1.00 0.00 H new ATOM 0 HG3 LYS A 60 0.541 2.457 -6.799 1.00 0.00 H new ATOM 0 HD2 LYS A 60 2.223 3.167 -4.684 1.00 0.00 H new ATOM 0 HD3 LYS A 60 3.118 1.864 -5.440 1.00 0.00 H new ATOM 0 HE2 LYS A 60 1.884 3.885 -7.297 1.00 0.00 H new ATOM 0 HE3 LYS A 60 3.234 4.443 -6.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 3.992 3.486 -8.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 4.547 2.550 -7.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 3.239 2.009 -8.056 1.00 0.00 H new ATOM 950 N MET A 61 -2.872 1.943 -3.727 1.00 0.00 N ATOM 951 CA MET A 61 -4.186 1.257 -3.591 1.00 0.00 C ATOM 952 C MET A 61 -5.332 2.181 -3.986 1.00 0.00 C ATOM 953 O MET A 61 -6.000 1.976 -4.977 1.00 0.00 O ATOM 954 CB MET A 61 -4.383 0.872 -2.129 1.00 0.00 C ATOM 955 CG MET A 61 -3.207 0.026 -1.659 1.00 0.00 C ATOM 956 SD MET A 61 -2.902 -1.297 -2.856 1.00 0.00 S ATOM 957 CE MET A 61 -4.503 -2.115 -2.702 1.00 0.00 C ATOM 0 H MET A 61 -2.419 2.176 -2.843 1.00 0.00 H new ATOM 0 HA MET A 61 -4.188 0.384 -4.243 1.00 0.00 H new ATOM 0 HB2 MET A 61 -4.467 1.769 -1.515 1.00 0.00 H new ATOM 0 HB3 MET A 61 -5.313 0.316 -2.011 1.00 0.00 H new ATOM 0 HG2 MET A 61 -2.318 0.647 -1.552 1.00 0.00 H new ATOM 0 HG3 MET A 61 -3.419 -0.398 -0.678 1.00 0.00 H new ATOM 0 HE1 MET A 61 -4.361 -3.196 -2.704 1.00 0.00 H new ATOM 0 HE2 MET A 61 -4.978 -1.813 -1.769 1.00 0.00 H new ATOM 0 HE3 MET A 61 -5.139 -1.831 -3.541 1.00 0.00 H new ATOM 967 N LEU A 62 -5.578 3.182 -3.191 1.00 0.00 N ATOM 968 CA LEU A 62 -6.701 4.110 -3.483 1.00 0.00 C ATOM 969 C LEU A 62 -6.571 4.602 -4.921 1.00 0.00 C ATOM 970 O LEU A 62 -7.544 4.735 -5.638 1.00 0.00 O ATOM 971 CB LEU A 62 -6.659 5.283 -2.496 1.00 0.00 C ATOM 972 CG LEU A 62 -6.603 4.789 -1.027 1.00 0.00 C ATOM 973 CD1 LEU A 62 -7.653 5.542 -0.208 1.00 0.00 C ATOM 974 CD2 LEU A 62 -6.886 3.276 -0.908 1.00 0.00 C ATOM 0 H LEU A 62 -5.047 3.398 -2.348 1.00 0.00 H new ATOM 0 HA LEU A 62 -7.658 3.600 -3.370 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.788 5.905 -2.705 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -7.540 5.910 -2.637 1.00 0.00 H new ATOM 0 HG LEU A 62 -5.596 4.977 -0.655 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -7.621 5.201 0.827 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -7.445 6.611 -0.244 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -8.643 5.351 -0.622 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -6.836 2.978 0.139 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -7.880 3.060 -1.299 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -6.142 2.721 -1.480 1.00 0.00 H new ATOM 986 N VAL A 63 -5.369 4.842 -5.355 1.00 0.00 N ATOM 987 CA VAL A 63 -5.161 5.292 -6.755 1.00 0.00 C ATOM 988 C VAL A 63 -5.478 4.121 -7.687 1.00 0.00 C ATOM 989 O VAL A 63 -6.023 4.289 -8.759 1.00 0.00 O ATOM 990 CB VAL A 63 -3.703 5.714 -6.932 1.00 0.00 C ATOM 991 CG1 VAL A 63 -3.423 5.988 -8.402 1.00 0.00 C ATOM 992 CG2 VAL A 63 -3.433 6.981 -6.117 1.00 0.00 C ATOM 0 H VAL A 63 -4.519 4.746 -4.799 1.00 0.00 H new ATOM 0 HA VAL A 63 -5.809 6.137 -6.987 1.00 0.00 H new ATOM 0 HB VAL A 63 -3.052 4.912 -6.584 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -2.382 6.289 -8.524 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -3.610 5.085 -8.983 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -4.075 6.787 -8.754 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -2.393 7.281 -6.244 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -4.086 7.782 -6.463 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.627 6.784 -5.063 1.00 0.00 H new ATOM 1002 N GLU A 64 -5.142 2.930 -7.268 1.00 0.00 N ATOM 1003 CA GLU A 64 -5.420 1.726 -8.101 1.00 0.00 C ATOM 1004 C GLU A 64 -6.923 1.642 -8.383 1.00 0.00 C ATOM 1005 O GLU A 64 -7.344 1.582 -9.519 1.00 0.00 O ATOM 1006 CB GLU A 64 -4.961 0.465 -7.356 1.00 0.00 C ATOM 1007 CG GLU A 64 -3.846 -0.220 -8.150 1.00 0.00 C ATOM 1008 CD GLU A 64 -2.591 0.654 -8.133 1.00 0.00 C ATOM 1009 OE1 GLU A 64 -2.588 1.667 -8.812 1.00 0.00 O ATOM 1010 OE2 GLU A 64 -1.653 0.295 -7.439 1.00 0.00 O ATOM 0 H GLU A 64 -4.683 2.739 -6.377 1.00 0.00 H new ATOM 0 HA GLU A 64 -4.877 1.801 -9.043 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -4.604 0.728 -6.360 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -5.800 -0.218 -7.224 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -3.627 -1.197 -7.719 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -4.169 -0.390 -9.177 1.00 0.00 H new ATOM 1017 N LEU A 65 -7.740 1.637 -7.359 1.00 0.00 N ATOM 1018 CA LEU A 65 -9.213 1.560 -7.596 1.00 0.00 C ATOM 1019 C LEU A 65 -9.672 2.798 -8.369 1.00 0.00 C ATOM 1020 O LEU A 65 -10.526 2.723 -9.230 1.00 0.00 O ATOM 1021 CB LEU A 65 -9.992 1.482 -6.274 1.00 0.00 C ATOM 1022 CG LEU A 65 -9.208 2.144 -5.144 1.00 0.00 C ATOM 1023 CD1 LEU A 65 -10.175 2.872 -4.207 1.00 0.00 C ATOM 1024 CD2 LEU A 65 -8.466 1.062 -4.365 1.00 0.00 C ATOM 0 H LEU A 65 -7.455 1.682 -6.381 1.00 0.00 H new ATOM 0 HA LEU A 65 -9.413 0.655 -8.170 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -10.959 1.971 -6.387 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -10.190 0.440 -6.024 1.00 0.00 H new ATOM 0 HG LEU A 65 -8.499 2.862 -5.556 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -9.614 3.344 -3.401 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -10.719 3.634 -4.766 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -10.882 2.157 -3.787 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -7.901 1.521 -3.554 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -9.184 0.354 -3.952 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -7.782 0.538 -5.032 1.00 0.00 H new ATOM 1036 N GLN A 66 -9.118 3.942 -8.065 1.00 0.00 N ATOM 1037 CA GLN A 66 -9.535 5.183 -8.779 1.00 0.00 C ATOM 1038 C GLN A 66 -9.130 5.092 -10.251 1.00 0.00 C ATOM 1039 O GLN A 66 -9.590 5.854 -11.079 1.00 0.00 O ATOM 1040 CB GLN A 66 -8.856 6.393 -8.136 1.00 0.00 C ATOM 1041 CG GLN A 66 -9.707 6.888 -6.966 1.00 0.00 C ATOM 1042 CD GLN A 66 -8.880 6.927 -5.711 1.00 0.00 C ATOM 1043 OE1 GLN A 66 -7.793 7.472 -5.682 1.00 0.00 O ATOM 1044 NE2 GLN A 66 -9.365 6.360 -4.659 1.00 0.00 N ATOM 0 H GLN A 66 -8.397 4.070 -7.355 1.00 0.00 H new ATOM 0 HA GLN A 66 -10.617 5.293 -8.710 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -7.860 6.122 -7.787 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -8.731 7.188 -8.871 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -10.099 7.881 -7.185 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -10.565 6.231 -6.826 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -10.278 5.907 -4.699 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -8.836 6.365 -3.787 1.00 0.00 H new ATOM 1053 N LYS A 67 -8.273 4.168 -10.588 1.00 0.00 N ATOM 1054 CA LYS A 67 -7.844 4.036 -12.009 1.00 0.00 C ATOM 1055 C LYS A 67 -8.729 3.011 -12.717 1.00 0.00 C ATOM 1056 O LYS A 67 -9.329 3.290 -13.736 1.00 0.00 O ATOM 1057 CB LYS A 67 -6.386 3.578 -12.065 1.00 0.00 C ATOM 1058 CG LYS A 67 -5.509 4.733 -12.554 1.00 0.00 C ATOM 1059 CD LYS A 67 -4.096 4.576 -11.991 1.00 0.00 C ATOM 1060 CE LYS A 67 -3.099 4.441 -13.144 1.00 0.00 C ATOM 1061 NZ LYS A 67 -2.521 5.779 -13.459 1.00 0.00 N ATOM 0 H LYS A 67 -7.852 3.500 -9.942 1.00 0.00 H new ATOM 0 HA LYS A 67 -7.939 5.002 -12.506 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -6.058 3.250 -11.079 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -6.287 2.723 -12.734 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -5.478 4.744 -13.644 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -5.934 5.685 -12.237 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -3.841 5.438 -11.375 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -4.045 3.698 -11.347 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -2.305 3.745 -12.873 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -3.596 4.031 -14.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -1.843 5.689 -14.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -3.284 6.430 -13.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -2.033 6.152 -12.620 1.00 0.00 H new ATOM 1075 N LEU A 68 -8.812 1.826 -12.185 1.00 0.00 N ATOM 1076 CA LEU A 68 -9.653 0.779 -12.818 1.00 0.00 C ATOM 1077 C LEU A 68 -11.127 1.181 -12.727 1.00 0.00 C ATOM 1078 O LEU A 68 -11.883 0.450 -12.107 1.00 0.00 O ATOM 1079 CB LEU A 68 -9.436 -0.543 -12.085 1.00 0.00 C ATOM 1080 CG LEU A 68 -7.939 -0.770 -11.873 1.00 0.00 C ATOM 1081 CD1 LEU A 68 -7.701 -2.204 -11.396 1.00 0.00 C ATOM 1082 CD2 LEU A 68 -7.200 -0.546 -13.194 1.00 0.00 C ATOM 1083 OXT LEU A 68 -11.475 2.211 -13.278 1.00 0.00 O ATOM 0 H LEU A 68 -8.330 1.537 -11.334 1.00 0.00 H new ATOM 0 HA LEU A 68 -9.377 0.668 -13.867 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -9.952 -0.527 -11.125 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -9.861 -1.365 -12.662 1.00 0.00 H new ATOM 0 HG LEU A 68 -7.569 -0.072 -11.123 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -6.634 -2.365 -11.245 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -8.229 -2.367 -10.456 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -8.071 -2.903 -12.146 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -6.132 -0.707 -13.045 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -7.572 -1.246 -13.942 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -7.369 0.475 -13.537 1.00 0.00 H new TER 1095 LEU A 68