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 6 GLN : amide:sc= 0.658! C(o=1.7!,f=-0.94!) USER MOD Set 1.2: A 75 SER OG : rot -157:sc= 1.08 USER MOD Set 2.1: A 58 ASN : amide:sc= -0.0533 K(o=1,f=-2.5) USER MOD Set 2.2: A 60 HIS : no HD1:sc= 0.266 K(o=1,f=-4.5!) USER MOD Set 2.3: A 69 THR OG1 : rot 33:sc= 0.808 USER MOD Set 3.1: A 40 SER OG : rot -60:sc= 1.78 USER MOD Set 3.2: A 42 LYS NZ :NH3+ -153:sc= 0.493 (180deg=-0.0407) USER MOD Set 3.3: A 43 THR OG1 : rot -160:sc= 1.08 USER MOD Set 4.1: A 27 ASN : amide:sc= 0.725 K(o=1.5,f=-2.1) USER MOD Set 4.2: A 31 LYS NZ :NH3+ -158:sc= 0.82 (180deg=-0.0297) USER MOD Set 5.1: A 26 THR OG1 : rot 158:sc= 2.65 USER MOD Set 5.2: A 68 TYR OH : rot 143:sc= 1.2 USER MOD Set 6.1: A 21 HIS : no HD1:sc= 0.0652 K(o=0.33,f=-5.5!) USER MOD Set 6.2: A 22 SER OG : rot 113:sc= 0.267 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -176:sc= 1.11 (180deg=1.07) USER MOD Single : A 2 LYS NZ :NH3+ -176:sc= 0.0275 (180deg=0.00694) USER MOD Single : A 3 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0578) USER MOD Single : A 8 SER OG : rot 179:sc= 1.9 USER MOD Single : A 15 MET CE :methyl -148:sc= -0.354 (180deg=-0.967) USER MOD Single : A 16 LYS NZ :NH3+ -175:sc= -0.265 (180deg=-0.306) USER MOD Single : A 20 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0361) USER MOD Single : A 23 SER OG : rot 3:sc= 0.217 USER MOD Single : A 25 ASN : amide:sc= 1.64 K(o=1.6,f=-6.5!) USER MOD Single : A 34 SER OG : rot -72:sc= 1.23 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot -78:sc= 1.13 USER MOD Single : A 37 SER OG : rot 5:sc= 0.44 USER MOD Single : A 38 THR OG1 : rot 51:sc= 0.308 USER MOD Single : A 45 GLN : amide:sc= 0.202 X(o=0.2,f=0) USER MOD Single : A 46 THR OG1 : rot 75:sc= 1.17 USER MOD Single : A 47 MET CE :methyl -163:sc= 0 (180deg=-0.171) USER MOD Single : A 53 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0361) USER MOD Single : A 54 LYS NZ :NH3+ 166:sc= 0.5 (180deg=0.39) USER MOD Single : A 59 HIS : no HD1:sc= -1.59 K(o=-1.6,f=-5!) USER MOD Single : A 61 LYS NZ :NH3+ 142:sc= 0.141 (180deg=-0.037) USER MOD Single : A 71 ASN : amide:sc= -0.0759 X(o=-0.076,f=-0.099) USER MOD Single : A 77 TYR OH : rot 30:sc= -0.213 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 15:sc= 0.866 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.876 18.218 -4.217 1.00 0.00 N ATOM 2 CA MET A 1 3.730 19.132 -4.044 1.00 0.00 C ATOM 3 C MET A 1 2.368 18.451 -4.279 1.00 0.00 C ATOM 4 O MET A 1 1.469 19.079 -4.830 1.00 0.00 O ATOM 5 CB MET A 1 3.884 20.378 -4.937 1.00 0.00 C ATOM 6 CG MET A 1 5.267 21.040 -4.848 1.00 0.00 C ATOM 7 SD MET A 1 5.927 21.220 -3.173 1.00 0.00 S ATOM 8 CE MET A 1 7.578 21.846 -3.551 1.00 0.00 C ATOM 0 H1 MET A 1 5.757 18.717 -3.980 1.00 0.00 H new ATOM 0 H2 MET A 1 4.763 17.397 -3.589 1.00 0.00 H new ATOM 0 H3 MET A 1 4.916 17.895 -5.205 1.00 0.00 H new ATOM 0 HA MET A 1 3.739 19.443 -2.999 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.693 20.097 -5.973 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.124 21.108 -4.659 1.00 0.00 H new ATOM 0 HG2 MET A 1 5.972 20.454 -5.438 1.00 0.00 H new ATOM 0 HG3 MET A 1 5.210 22.027 -5.307 1.00 0.00 H new ATOM 0 HE1 MET A 1 8.125 22.013 -2.623 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.112 21.118 -4.161 1.00 0.00 H new ATOM 0 HE3 MET A 1 7.495 22.786 -4.097 1.00 0.00 H new ATOM 20 N LYS A 2 2.204 17.179 -3.890 1.00 0.00 N ATOM 21 CA LYS A 2 0.948 16.441 -4.004 1.00 0.00 C ATOM 22 C LYS A 2 0.911 15.355 -2.926 1.00 0.00 C ATOM 23 O LYS A 2 1.954 14.900 -2.457 1.00 0.00 O ATOM 24 CB LYS A 2 0.756 15.818 -5.400 1.00 0.00 C ATOM 25 CG LYS A 2 0.483 16.855 -6.500 1.00 0.00 C ATOM 26 CD LYS A 2 -0.240 16.252 -7.714 1.00 0.00 C ATOM 27 CE LYS A 2 0.578 15.198 -8.468 1.00 0.00 C ATOM 28 NZ LYS A 2 1.769 15.780 -9.111 1.00 0.00 N ATOM 0 H LYS A 2 2.958 16.628 -3.480 1.00 0.00 H new ATOM 0 HA LYS A 2 0.127 17.144 -3.861 1.00 0.00 H new ATOM 0 HB2 LYS A 2 1.648 15.249 -5.661 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -0.073 15.112 -5.363 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -0.119 17.665 -6.089 1.00 0.00 H new ATOM 0 HG3 LYS A 2 1.427 17.292 -6.824 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -1.174 15.801 -7.380 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -0.502 17.055 -8.403 1.00 0.00 H new ATOM 0 HE2 LYS A 2 0.886 14.415 -7.776 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -0.049 14.726 -9.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 2.257 15.048 -9.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 1.480 16.556 -9.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 2.413 16.148 -8.382 1.00 0.00 H new ATOM 42 N LYS A 3 -0.296 14.931 -2.543 1.00 0.00 N ATOM 43 CA LYS A 3 -0.517 13.921 -1.517 1.00 0.00 C ATOM 44 C LYS A 3 -0.268 12.505 -2.054 1.00 0.00 C ATOM 45 O LYS A 3 -1.175 11.678 -2.098 1.00 0.00 O ATOM 46 CB LYS A 3 -1.913 14.101 -0.894 1.00 0.00 C ATOM 47 CG LYS A 3 -3.076 14.129 -1.899 1.00 0.00 C ATOM 48 CD LYS A 3 -4.407 14.097 -1.135 1.00 0.00 C ATOM 49 CE LYS A 3 -5.614 14.150 -2.080 1.00 0.00 C ATOM 50 NZ LYS A 3 -5.687 12.960 -2.948 1.00 0.00 N ATOM 0 H LYS A 3 -1.161 15.290 -2.948 1.00 0.00 H new ATOM 0 HA LYS A 3 0.212 14.059 -0.718 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -2.085 13.291 -0.185 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -1.923 15.030 -0.324 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -3.018 15.027 -2.515 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -3.010 13.275 -2.573 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -4.458 13.190 -0.533 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -4.449 14.940 -0.445 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -6.530 14.229 -1.494 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -5.552 15.046 -2.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -6.577 12.977 -3.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -4.883 12.962 -3.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -5.652 12.101 -2.363 1.00 0.00 H new ATOM 64 N ILE A 4 0.973 12.220 -2.456 1.00 0.00 N ATOM 65 CA ILE A 4 1.402 10.913 -2.951 1.00 0.00 C ATOM 66 C ILE A 4 2.825 10.711 -2.399 1.00 0.00 C ATOM 67 O ILE A 4 3.551 11.701 -2.347 1.00 0.00 O ATOM 68 CB ILE A 4 1.334 10.863 -4.494 1.00 0.00 C ATOM 69 CG1 ILE A 4 0.219 11.738 -5.104 1.00 0.00 C ATOM 70 CG2 ILE A 4 1.138 9.409 -4.929 1.00 0.00 C ATOM 71 CD1 ILE A 4 0.161 11.663 -6.633 1.00 0.00 C ATOM 0 H ILE A 4 1.724 12.910 -2.445 1.00 0.00 H new ATOM 0 HA ILE A 4 0.752 10.104 -2.617 1.00 0.00 H new ATOM 0 HB ILE A 4 2.274 11.272 -4.866 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -0.742 11.427 -4.695 1.00 0.00 H new ATOM 0 HG13 ILE A 4 0.374 12.774 -4.803 1.00 0.00 H new ATOM 0 HG21 ILE A 4 1.088 9.358 -6.017 1.00 0.00 H new ATOM 0 HG22 ILE A 4 1.975 8.807 -4.576 1.00 0.00 H new ATOM 0 HG23 ILE A 4 0.211 9.024 -4.505 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -0.644 12.301 -6.998 1.00 0.00 H new ATOM 0 HD12 ILE A 4 1.110 12.001 -7.050 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -0.024 10.634 -6.940 1.00 0.00 H new ATOM 83 N PRO A 5 3.268 9.528 -1.933 1.00 0.00 N ATOM 84 CA PRO A 5 4.561 9.398 -1.277 1.00 0.00 C ATOM 85 C PRO A 5 5.688 9.124 -2.273 1.00 0.00 C ATOM 86 O PRO A 5 5.461 8.508 -3.311 1.00 0.00 O ATOM 87 CB PRO A 5 4.418 8.251 -0.270 1.00 0.00 C ATOM 88 CG PRO A 5 3.030 7.671 -0.505 1.00 0.00 C ATOM 89 CD PRO A 5 2.597 8.250 -1.845 1.00 0.00 C ATOM 0 HA PRO A 5 4.833 10.330 -0.782 1.00 0.00 H new ATOM 0 HB2 PRO A 5 5.189 7.496 -0.423 1.00 0.00 H new ATOM 0 HB3 PRO A 5 4.524 8.612 0.753 1.00 0.00 H new ATOM 0 HG2 PRO A 5 3.054 6.582 -0.533 1.00 0.00 H new ATOM 0 HG3 PRO A 5 2.341 7.954 0.291 1.00 0.00 H new ATOM 0 HD2 PRO A 5 2.883 7.596 -2.669 1.00 0.00 H new ATOM 0 HD3 PRO A 5 1.514 8.368 -1.893 1.00 0.00 H new ATOM 97 N GLN A 6 6.908 9.549 -1.933 1.00 0.00 N ATOM 98 CA GLN A 6 8.111 9.248 -2.703 1.00 0.00 C ATOM 99 C GLN A 6 8.328 7.739 -2.530 1.00 0.00 C ATOM 100 O GLN A 6 8.652 7.286 -1.434 1.00 0.00 O ATOM 101 CB GLN A 6 9.298 10.137 -2.277 1.00 0.00 C ATOM 102 CG GLN A 6 9.533 10.312 -0.765 1.00 0.00 C ATOM 103 CD GLN A 6 8.587 11.340 -0.147 1.00 0.00 C ATOM 104 OE1 GLN A 6 7.554 10.982 0.417 1.00 0.00 O ATOM 105 NE2 GLN A 6 8.881 12.628 -0.286 1.00 0.00 N ATOM 0 H GLN A 6 7.087 10.118 -1.105 1.00 0.00 H new ATOM 0 HA GLN A 6 8.011 9.481 -3.763 1.00 0.00 H new ATOM 0 HB2 GLN A 6 10.206 9.723 -2.715 1.00 0.00 H new ATOM 0 HB3 GLN A 6 9.155 11.125 -2.714 1.00 0.00 H new ATOM 0 HG2 GLN A 6 9.400 9.352 -0.265 1.00 0.00 H new ATOM 0 HG3 GLN A 6 10.564 10.621 -0.593 1.00 0.00 H new ATOM 0 HE21 GLN A 6 9.742 12.907 -0.756 1.00 0.00 H new ATOM 0 HE22 GLN A 6 8.246 13.338 0.078 1.00 0.00 H new ATOM 114 N ILE A 7 8.066 6.965 -3.587 1.00 0.00 N ATOM 115 CA ILE A 7 7.885 5.516 -3.528 1.00 0.00 C ATOM 116 C ILE A 7 8.829 4.704 -4.409 1.00 0.00 C ATOM 117 O ILE A 7 9.375 5.203 -5.390 1.00 0.00 O ATOM 118 CB ILE A 7 6.393 5.271 -3.854 1.00 0.00 C ATOM 119 CG1 ILE A 7 5.560 5.443 -2.587 1.00 0.00 C ATOM 120 CG2 ILE A 7 6.036 3.973 -4.576 1.00 0.00 C ATOM 121 CD1 ILE A 7 5.545 4.199 -1.705 1.00 0.00 C ATOM 0 H ILE A 7 7.972 7.341 -4.531 1.00 0.00 H new ATOM 0 HA ILE A 7 8.151 5.155 -2.534 1.00 0.00 H new ATOM 0 HB ILE A 7 6.151 6.029 -4.599 1.00 0.00 H new ATOM 0 HG12 ILE A 7 5.952 6.283 -2.013 1.00 0.00 H new ATOM 0 HG13 ILE A 7 4.537 5.696 -2.864 1.00 0.00 H new ATOM 0 HG21 ILE A 7 4.959 3.932 -4.740 1.00 0.00 H new ATOM 0 HG22 ILE A 7 6.551 3.937 -5.536 1.00 0.00 H new ATOM 0 HG23 ILE A 7 6.342 3.122 -3.968 1.00 0.00 H new ATOM 0 HD11 ILE A 7 4.936 4.387 -0.821 1.00 0.00 H new ATOM 0 HD12 ILE A 7 5.126 3.362 -2.263 1.00 0.00 H new ATOM 0 HD13 ILE A 7 6.563 3.957 -1.399 1.00 0.00 H new ATOM 133 N SER A 8 8.985 3.428 -4.047 1.00 0.00 N ATOM 134 CA SER A 8 9.738 2.437 -4.796 1.00 0.00 C ATOM 135 C SER A 8 8.807 1.801 -5.829 1.00 0.00 C ATOM 136 O SER A 8 7.627 1.571 -5.555 1.00 0.00 O ATOM 137 CB SER A 8 10.259 1.390 -3.812 1.00 0.00 C ATOM 138 OG SER A 8 11.209 0.514 -4.382 1.00 0.00 O ATOM 0 H SER A 8 8.573 3.050 -3.194 1.00 0.00 H new ATOM 0 HA SER A 8 10.583 2.887 -5.316 1.00 0.00 H new ATOM 0 HB2 SER A 8 10.708 1.896 -2.957 1.00 0.00 H new ATOM 0 HB3 SER A 8 9.419 0.808 -3.433 1.00 0.00 H new ATOM 0 HG SER A 8 11.515 -0.123 -3.703 1.00 0.00 H new ATOM 144 N ASP A 9 9.331 1.500 -7.016 1.00 0.00 N ATOM 145 CA ASP A 9 8.595 0.930 -8.126 1.00 0.00 C ATOM 146 C ASP A 9 7.713 -0.255 -7.710 1.00 0.00 C ATOM 147 O ASP A 9 6.544 -0.314 -8.080 1.00 0.00 O ATOM 148 CB ASP A 9 9.597 0.582 -9.233 1.00 0.00 C ATOM 149 CG ASP A 9 10.417 -0.679 -8.965 1.00 0.00 C ATOM 150 OD1 ASP A 9 10.962 -0.776 -7.843 1.00 0.00 O ATOM 151 OD2 ASP A 9 10.482 -1.523 -9.883 1.00 0.00 O ATOM 0 H ASP A 9 10.316 1.655 -7.231 1.00 0.00 H new ATOM 0 HA ASP A 9 7.885 1.663 -8.508 1.00 0.00 H new ATOM 0 HB2 ASP A 9 9.056 0.457 -10.171 1.00 0.00 H new ATOM 0 HB3 ASP A 9 10.278 1.422 -9.368 1.00 0.00 H new ATOM 156 N ALA A 10 8.254 -1.188 -6.922 1.00 0.00 N ATOM 157 CA ALA A 10 7.497 -2.343 -6.457 1.00 0.00 C ATOM 158 C ALA A 10 6.330 -1.903 -5.573 1.00 0.00 C ATOM 159 O ALA A 10 5.182 -2.256 -5.835 1.00 0.00 O ATOM 160 CB ALA A 10 8.428 -3.311 -5.722 1.00 0.00 C ATOM 0 H ALA A 10 9.219 -1.161 -6.594 1.00 0.00 H new ATOM 0 HA ALA A 10 7.074 -2.864 -7.316 1.00 0.00 H new ATOM 0 HB1 ALA A 10 7.857 -4.173 -5.376 1.00 0.00 H new ATOM 0 HB2 ALA A 10 9.214 -3.644 -6.399 1.00 0.00 H new ATOM 0 HB3 ALA A 10 8.876 -2.806 -4.866 1.00 0.00 H new ATOM 166 N GLU A 11 6.624 -1.116 -4.533 1.00 0.00 N ATOM 167 CA GLU A 11 5.613 -0.606 -3.617 1.00 0.00 C ATOM 168 C GLU A 11 4.482 0.072 -4.395 1.00 0.00 C ATOM 169 O GLU A 11 3.309 -0.094 -4.060 1.00 0.00 O ATOM 170 CB GLU A 11 6.237 0.397 -2.643 1.00 0.00 C ATOM 171 CG GLU A 11 7.248 -0.211 -1.667 1.00 0.00 C ATOM 172 CD GLU A 11 7.850 0.879 -0.781 1.00 0.00 C ATOM 173 OE1 GLU A 11 8.364 1.862 -1.363 1.00 0.00 O ATOM 174 OE2 GLU A 11 7.763 0.721 0.456 1.00 0.00 O ATOM 0 H GLU A 11 7.573 -0.817 -4.307 1.00 0.00 H new ATOM 0 HA GLU A 11 5.205 -1.446 -3.054 1.00 0.00 H new ATOM 0 HB2 GLU A 11 6.731 1.182 -3.216 1.00 0.00 H new ATOM 0 HB3 GLU A 11 5.440 0.873 -2.071 1.00 0.00 H new ATOM 0 HG2 GLU A 11 6.759 -0.964 -1.048 1.00 0.00 H new ATOM 0 HG3 GLU A 11 8.039 -0.718 -2.220 1.00 0.00 H new ATOM 181 N LEU A 12 4.825 0.835 -5.438 1.00 0.00 N ATOM 182 CA LEU A 12 3.826 1.531 -6.235 1.00 0.00 C ATOM 183 C LEU A 12 2.696 0.607 -6.685 1.00 0.00 C ATOM 184 O LEU A 12 1.543 1.030 -6.697 1.00 0.00 O ATOM 185 CB LEU A 12 4.460 2.207 -7.456 1.00 0.00 C ATOM 186 CG LEU A 12 3.494 3.211 -8.107 1.00 0.00 C ATOM 187 CD1 LEU A 12 3.348 4.472 -7.244 1.00 0.00 C ATOM 188 CD2 LEU A 12 3.995 3.535 -9.516 1.00 0.00 C ATOM 0 H LEU A 12 5.787 0.982 -5.745 1.00 0.00 H new ATOM 0 HA LEU A 12 3.397 2.296 -5.588 1.00 0.00 H new ATOM 0 HB2 LEU A 12 5.373 2.721 -7.156 1.00 0.00 H new ATOM 0 HB3 LEU A 12 4.746 1.449 -8.186 1.00 0.00 H new ATOM 0 HG LEU A 12 2.499 2.771 -8.182 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.660 5.166 -7.727 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.959 4.199 -6.263 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.321 4.948 -7.128 1.00 0.00 H new ATOM 0 HD21 LEU A 12 3.318 4.247 -9.988 1.00 0.00 H new ATOM 0 HD22 LEU A 12 4.993 3.969 -9.456 1.00 0.00 H new ATOM 0 HD23 LEU A 12 4.031 2.621 -10.108 1.00 0.00 H new ATOM 200 N GLU A 13 3.003 -0.645 -7.047 1.00 0.00 N ATOM 201 CA GLU A 13 1.972 -1.586 -7.459 1.00 0.00 C ATOM 202 C GLU A 13 0.891 -1.693 -6.383 1.00 0.00 C ATOM 203 O GLU A 13 -0.306 -1.612 -6.666 1.00 0.00 O ATOM 204 CB GLU A 13 2.602 -2.957 -7.713 1.00 0.00 C ATOM 205 CG GLU A 13 3.652 -2.924 -8.834 1.00 0.00 C ATOM 206 CD GLU A 13 3.062 -2.463 -10.163 1.00 0.00 C ATOM 207 OE1 GLU A 13 2.268 -3.243 -10.732 1.00 0.00 O ATOM 208 OE2 GLU A 13 3.403 -1.334 -10.579 1.00 0.00 O ATOM 0 H GLU A 13 3.951 -1.021 -7.061 1.00 0.00 H new ATOM 0 HA GLU A 13 1.509 -1.228 -8.379 1.00 0.00 H new ATOM 0 HB2 GLU A 13 3.067 -3.315 -6.795 1.00 0.00 H new ATOM 0 HB3 GLU A 13 1.820 -3.670 -7.973 1.00 0.00 H new ATOM 0 HG2 GLU A 13 4.465 -2.257 -8.548 1.00 0.00 H new ATOM 0 HG3 GLU A 13 4.083 -3.918 -8.955 1.00 0.00 H new ATOM 215 N VAL A 14 1.327 -1.853 -5.133 1.00 0.00 N ATOM 216 CA VAL A 14 0.410 -2.003 -4.022 1.00 0.00 C ATOM 217 C VAL A 14 -0.330 -0.688 -3.806 1.00 0.00 C ATOM 218 O VAL A 14 -1.546 -0.689 -3.621 1.00 0.00 O ATOM 219 CB VAL A 14 1.104 -2.577 -2.768 1.00 0.00 C ATOM 220 CG1 VAL A 14 2.291 -3.474 -3.146 1.00 0.00 C ATOM 221 CG2 VAL A 14 1.520 -1.571 -1.689 1.00 0.00 C ATOM 0 H VAL A 14 2.313 -1.881 -4.873 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.344 -2.754 -4.258 1.00 0.00 H new ATOM 0 HB VAL A 14 0.315 -3.165 -2.298 1.00 0.00 H new ATOM 0 HG11 VAL A 14 2.757 -3.862 -2.240 1.00 0.00 H new ATOM 0 HG12 VAL A 14 1.939 -4.305 -3.757 1.00 0.00 H new ATOM 0 HG13 VAL A 14 3.021 -2.893 -3.710 1.00 0.00 H new ATOM 0 HG21 VAL A 14 1.995 -2.099 -0.863 1.00 0.00 H new ATOM 0 HG22 VAL A 14 2.222 -0.853 -2.112 1.00 0.00 H new ATOM 0 HG23 VAL A 14 0.639 -1.044 -1.323 1.00 0.00 H new ATOM 231 N MET A 15 0.391 0.438 -3.875 1.00 0.00 N ATOM 232 CA MET A 15 -0.237 1.740 -3.714 1.00 0.00 C ATOM 233 C MET A 15 -1.377 1.930 -4.708 1.00 0.00 C ATOM 234 O MET A 15 -2.474 2.331 -4.334 1.00 0.00 O ATOM 235 CB MET A 15 0.747 2.888 -3.862 1.00 0.00 C ATOM 236 CG MET A 15 1.848 2.820 -2.819 1.00 0.00 C ATOM 237 SD MET A 15 2.245 4.395 -2.031 1.00 0.00 S ATOM 238 CE MET A 15 0.858 4.543 -0.885 1.00 0.00 C ATOM 0 H MET A 15 1.397 0.467 -4.039 1.00 0.00 H new ATOM 0 HA MET A 15 -0.629 1.758 -2.697 1.00 0.00 H new ATOM 0 HB2 MET A 15 1.188 2.864 -4.859 1.00 0.00 H new ATOM 0 HB3 MET A 15 0.217 3.836 -3.771 1.00 0.00 H new ATOM 0 HG2 MET A 15 1.555 2.108 -2.048 1.00 0.00 H new ATOM 0 HG3 MET A 15 2.750 2.428 -3.289 1.00 0.00 H new ATOM 0 HE1 MET A 15 0.609 5.595 -0.749 1.00 0.00 H new ATOM 0 HE2 MET A 15 -0.006 4.015 -1.289 1.00 0.00 H new ATOM 0 HE3 MET A 15 1.132 4.108 0.076 1.00 0.00 H new ATOM 248 N LYS A 16 -1.107 1.654 -5.982 1.00 0.00 N ATOM 249 CA LYS A 16 -2.089 1.785 -7.040 1.00 0.00 C ATOM 250 C LYS A 16 -3.258 0.830 -6.806 1.00 0.00 C ATOM 251 O LYS A 16 -4.406 1.248 -6.943 1.00 0.00 O ATOM 252 CB LYS A 16 -1.407 1.621 -8.399 1.00 0.00 C ATOM 253 CG LYS A 16 -0.482 2.800 -8.734 1.00 0.00 C ATOM 254 CD LYS A 16 -1.270 3.978 -9.329 1.00 0.00 C ATOM 255 CE LYS A 16 -0.394 5.227 -9.479 1.00 0.00 C ATOM 256 NZ LYS A 16 0.737 4.997 -10.393 1.00 0.00 N ATOM 0 H LYS A 16 -0.194 1.332 -6.304 1.00 0.00 H new ATOM 0 HA LYS A 16 -2.524 2.784 -7.033 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -0.830 0.697 -8.404 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -2.167 1.526 -9.175 1.00 0.00 H new ATOM 0 HG2 LYS A 16 0.037 3.125 -7.832 1.00 0.00 H new ATOM 0 HG3 LYS A 16 0.281 2.476 -9.442 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -1.669 3.694 -10.303 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -2.123 4.206 -8.689 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -1.000 6.053 -9.852 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -0.016 5.525 -8.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 1.352 5.836 -10.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 1.282 4.172 -10.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 0.377 4.821 -11.353 1.00 0.00 H new ATOM 270 N VAL A 17 -3.005 -0.428 -6.422 1.00 0.00 N ATOM 271 CA VAL A 17 -4.093 -1.338 -6.097 1.00 0.00 C ATOM 272 C VAL A 17 -4.962 -0.729 -4.986 1.00 0.00 C ATOM 273 O VAL A 17 -6.186 -0.756 -5.081 1.00 0.00 O ATOM 274 CB VAL A 17 -3.523 -2.721 -5.744 1.00 0.00 C ATOM 275 CG1 VAL A 17 -4.528 -3.537 -4.934 1.00 0.00 C ATOM 276 CG2 VAL A 17 -3.178 -3.491 -7.025 1.00 0.00 C ATOM 0 H VAL A 17 -2.071 -0.827 -6.332 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.746 -1.482 -6.958 1.00 0.00 H new ATOM 0 HB VAL A 17 -2.624 -2.568 -5.147 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -4.100 -4.511 -4.698 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -4.763 -3.010 -4.009 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -5.439 -3.673 -5.516 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.775 -4.469 -6.764 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -4.078 -3.618 -7.627 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.436 -2.933 -7.596 1.00 0.00 H new ATOM 286 N ILE A 18 -4.345 -0.170 -3.940 1.00 0.00 N ATOM 287 CA ILE A 18 -5.088 0.478 -2.866 1.00 0.00 C ATOM 288 C ILE A 18 -5.911 1.640 -3.442 1.00 0.00 C ATOM 289 O ILE A 18 -7.130 1.656 -3.299 1.00 0.00 O ATOM 290 CB ILE A 18 -4.127 0.909 -1.739 1.00 0.00 C ATOM 291 CG1 ILE A 18 -3.481 -0.327 -1.082 1.00 0.00 C ATOM 292 CG2 ILE A 18 -4.868 1.742 -0.680 1.00 0.00 C ATOM 293 CD1 ILE A 18 -2.172 0.013 -0.374 1.00 0.00 C ATOM 0 H ILE A 18 -3.332 -0.156 -3.819 1.00 0.00 H new ATOM 0 HA ILE A 18 -5.793 -0.221 -2.416 1.00 0.00 H new ATOM 0 HB ILE A 18 -3.343 1.526 -2.178 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -4.178 -0.761 -0.365 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -3.294 -1.085 -1.843 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -4.171 2.035 0.105 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -5.286 2.634 -1.146 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -5.673 1.148 -0.247 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -1.755 -0.889 0.073 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -1.464 0.421 -1.095 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -2.361 0.750 0.406 1.00 0.00 H new ATOM 305 N TRP A 19 -5.255 2.593 -4.113 1.00 0.00 N ATOM 306 CA TRP A 19 -5.886 3.772 -4.701 1.00 0.00 C ATOM 307 C TRP A 19 -7.008 3.429 -5.686 1.00 0.00 C ATOM 308 O TRP A 19 -7.935 4.218 -5.851 1.00 0.00 O ATOM 309 CB TRP A 19 -4.824 4.668 -5.360 1.00 0.00 C ATOM 310 CG TRP A 19 -3.862 5.353 -4.431 1.00 0.00 C ATOM 311 CD1 TRP A 19 -4.208 5.951 -3.268 1.00 0.00 C ATOM 312 CD2 TRP A 19 -2.422 5.580 -4.577 1.00 0.00 C ATOM 313 NE1 TRP A 19 -3.102 6.516 -2.675 1.00 0.00 N ATOM 314 CE2 TRP A 19 -1.975 6.315 -3.439 1.00 0.00 C ATOM 315 CE3 TRP A 19 -1.442 5.253 -5.545 1.00 0.00 C ATOM 316 CZ2 TRP A 19 -0.641 6.697 -3.261 1.00 0.00 C ATOM 317 CZ3 TRP A 19 -0.091 5.612 -5.365 1.00 0.00 C ATOM 318 CH2 TRP A 19 0.308 6.333 -4.227 1.00 0.00 C ATOM 0 H TRP A 19 -4.247 2.562 -4.264 1.00 0.00 H new ATOM 0 HA TRP A 19 -6.361 4.318 -3.886 1.00 0.00 H new ATOM 0 HB2 TRP A 19 -4.250 4.060 -6.060 1.00 0.00 H new ATOM 0 HB3 TRP A 19 -5.336 5.431 -5.946 1.00 0.00 H new ATOM 0 HD1 TRP A 19 -5.209 5.981 -2.863 1.00 0.00 H new ATOM 0 HE1 TRP A 19 -3.116 7.017 -1.787 1.00 0.00 H new ATOM 0 HE3 TRP A 19 -1.735 4.719 -6.437 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 -0.346 7.265 -2.391 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 0.642 5.331 -6.107 1.00 0.00 H new ATOM 0 HH2 TRP A 19 1.345 6.607 -4.096 1.00 0.00 H new ATOM 329 N LYS A 20 -6.929 2.281 -6.363 1.00 0.00 N ATOM 330 CA LYS A 20 -7.982 1.842 -7.269 1.00 0.00 C ATOM 331 C LYS A 20 -9.299 1.619 -6.507 1.00 0.00 C ATOM 332 O LYS A 20 -10.372 1.710 -7.102 1.00 0.00 O ATOM 333 CB LYS A 20 -7.512 0.577 -8.008 1.00 0.00 C ATOM 334 CG LYS A 20 -8.520 -0.001 -9.012 1.00 0.00 C ATOM 335 CD LYS A 20 -8.888 1.002 -10.114 1.00 0.00 C ATOM 336 CE LYS A 20 -9.759 0.356 -11.197 1.00 0.00 C ATOM 337 NZ LYS A 20 -11.055 -0.096 -10.659 1.00 0.00 N ATOM 0 H LYS A 20 -6.140 1.638 -6.297 1.00 0.00 H new ATOM 0 HA LYS A 20 -8.182 2.616 -8.010 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -6.587 0.806 -8.536 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -7.276 -0.190 -7.270 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -8.102 -0.899 -9.467 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -9.424 -0.303 -8.483 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -9.419 1.847 -9.675 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -7.978 1.397 -10.566 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -9.929 1.071 -12.002 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -9.230 -0.492 -11.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -11.655 -0.434 -11.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -10.899 -0.869 -9.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -11.526 0.696 -10.178 1.00 0.00 H new ATOM 351 N HIS A 21 -9.223 1.305 -5.209 1.00 0.00 N ATOM 352 CA HIS A 21 -10.363 1.067 -4.333 1.00 0.00 C ATOM 353 C HIS A 21 -10.514 2.266 -3.378 1.00 0.00 C ATOM 354 O HIS A 21 -9.720 3.203 -3.415 1.00 0.00 O ATOM 355 CB HIS A 21 -10.101 -0.258 -3.601 1.00 0.00 C ATOM 356 CG HIS A 21 -11.306 -0.973 -3.027 1.00 0.00 C ATOM 357 ND1 HIS A 21 -12.518 -0.333 -2.736 1.00 0.00 N ATOM 358 CD2 HIS A 21 -11.424 -2.300 -2.707 1.00 0.00 C ATOM 359 CE1 HIS A 21 -13.304 -1.301 -2.251 1.00 0.00 C ATOM 360 NE2 HIS A 21 -12.697 -2.498 -2.217 1.00 0.00 N ATOM 0 H HIS A 21 -8.329 1.207 -4.727 1.00 0.00 H new ATOM 0 HA HIS A 21 -11.303 0.980 -4.878 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -9.603 -0.936 -4.294 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -9.402 -0.064 -2.787 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -10.659 -3.054 -2.818 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -14.319 -1.137 -1.922 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -13.098 -3.378 -1.893 1.00 0.00 H new ATOM 368 N SER A 22 -11.544 2.267 -2.529 1.00 0.00 N ATOM 369 CA SER A 22 -11.780 3.333 -1.557 1.00 0.00 C ATOM 370 C SER A 22 -10.696 3.228 -0.484 1.00 0.00 C ATOM 371 O SER A 22 -9.932 4.156 -0.224 1.00 0.00 O ATOM 372 CB SER A 22 -13.178 3.119 -0.961 1.00 0.00 C ATOM 373 OG SER A 22 -13.368 1.755 -0.606 1.00 0.00 O ATOM 0 H SER A 22 -12.241 1.523 -2.498 1.00 0.00 H new ATOM 0 HA SER A 22 -11.737 4.325 -2.007 1.00 0.00 H new ATOM 0 HB2 SER A 22 -13.305 3.750 -0.081 1.00 0.00 H new ATOM 0 HB3 SER A 22 -13.937 3.422 -1.682 1.00 0.00 H new ATOM 0 HG SER A 22 -13.437 1.677 0.368 1.00 0.00 H new ATOM 379 N SER A 23 -10.669 2.086 0.191 1.00 0.00 N ATOM 380 CA SER A 23 -9.497 1.592 0.885 1.00 0.00 C ATOM 381 C SER A 23 -9.410 0.134 0.423 1.00 0.00 C ATOM 382 O SER A 23 -10.069 -0.200 -0.557 1.00 0.00 O ATOM 383 CB SER A 23 -9.703 1.813 2.384 1.00 0.00 C ATOM 384 OG SER A 23 -9.714 3.211 2.610 1.00 0.00 O ATOM 0 H SER A 23 -11.478 1.470 0.270 1.00 0.00 H new ATOM 0 HA SER A 23 -8.551 2.089 0.672 1.00 0.00 H new ATOM 0 HB2 SER A 23 -10.640 1.364 2.713 1.00 0.00 H new ATOM 0 HB3 SER A 23 -8.905 1.338 2.955 1.00 0.00 H new ATOM 0 HG SER A 23 -9.637 3.681 1.754 1.00 0.00 H new ATOM 390 N ILE A 24 -8.756 -0.785 1.133 1.00 0.00 N ATOM 391 CA ILE A 24 -8.795 -2.189 0.721 1.00 0.00 C ATOM 392 C ILE A 24 -8.609 -3.107 1.923 1.00 0.00 C ATOM 393 O ILE A 24 -7.713 -2.829 2.721 1.00 0.00 O ATOM 394 CB ILE A 24 -7.821 -2.431 -0.445 1.00 0.00 C ATOM 395 CG1 ILE A 24 -7.947 -3.862 -0.993 1.00 0.00 C ATOM 396 CG2 ILE A 24 -6.386 -2.111 -0.023 1.00 0.00 C ATOM 397 CD1 ILE A 24 -7.377 -3.984 -2.410 1.00 0.00 C ATOM 0 H ILE A 24 -8.208 -0.593 1.972 1.00 0.00 H new ATOM 0 HA ILE A 24 -9.780 -2.440 0.327 1.00 0.00 H new ATOM 0 HB ILE A 24 -8.088 -1.755 -1.257 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -7.424 -4.552 -0.331 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -8.996 -4.158 -0.997 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -5.712 -2.288 -0.861 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -6.320 -1.066 0.280 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -6.101 -2.750 0.813 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -7.486 -5.011 -2.759 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -7.918 -3.314 -3.079 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -6.321 -3.714 -2.402 1.00 0.00 H new ATOM 409 N ASN A 25 -9.412 -4.173 2.067 1.00 0.00 N ATOM 410 CA ASN A 25 -9.198 -5.147 3.137 1.00 0.00 C ATOM 411 C ASN A 25 -7.975 -5.995 2.814 1.00 0.00 C ATOM 412 O ASN A 25 -7.659 -6.245 1.650 1.00 0.00 O ATOM 413 CB ASN A 25 -10.396 -6.063 3.426 1.00 0.00 C ATOM 414 CG ASN A 25 -10.868 -6.820 2.196 1.00 0.00 C ATOM 415 OD1 ASN A 25 -10.261 -7.812 1.802 1.00 0.00 O ATOM 416 ND2 ASN A 25 -11.954 -6.350 1.591 1.00 0.00 N ATOM 0 H ASN A 25 -10.206 -4.377 1.460 1.00 0.00 H new ATOM 0 HA ASN A 25 -9.050 -4.561 4.044 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -10.123 -6.776 4.204 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -11.219 -5.465 3.817 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -12.318 -6.818 0.761 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -12.424 -5.522 1.957 1.00 0.00 H new ATOM 423 N THR A 26 -7.311 -6.462 3.869 1.00 0.00 N ATOM 424 CA THR A 26 -6.098 -7.248 3.740 1.00 0.00 C ATOM 425 C THR A 26 -6.260 -8.447 2.805 1.00 0.00 C ATOM 426 O THR A 26 -5.373 -8.686 1.995 1.00 0.00 O ATOM 427 CB THR A 26 -5.555 -7.629 5.123 1.00 0.00 C ATOM 428 OG1 THR A 26 -5.411 -6.460 5.903 1.00 0.00 O ATOM 429 CG2 THR A 26 -4.166 -8.261 4.999 1.00 0.00 C ATOM 0 H THR A 26 -7.603 -6.304 4.834 1.00 0.00 H new ATOM 0 HA THR A 26 -5.348 -6.622 3.256 1.00 0.00 H new ATOM 0 HB THR A 26 -6.250 -8.333 5.580 1.00 0.00 H new ATOM 0 HG1 THR A 26 -5.411 -6.699 6.853 1.00 0.00 H new ATOM 0 HG21 THR A 26 -3.797 -8.525 5.990 1.00 0.00 H new ATOM 0 HG22 THR A 26 -4.228 -9.159 4.384 1.00 0.00 H new ATOM 0 HG23 THR A 26 -3.483 -7.550 4.535 1.00 0.00 H new ATOM 437 N ASN A 27 -7.363 -9.199 2.871 1.00 0.00 N ATOM 438 CA ASN A 27 -7.532 -10.338 1.969 1.00 0.00 C ATOM 439 C ASN A 27 -7.408 -9.892 0.511 1.00 0.00 C ATOM 440 O ASN A 27 -6.577 -10.422 -0.225 1.00 0.00 O ATOM 441 CB ASN A 27 -8.866 -11.049 2.214 1.00 0.00 C ATOM 442 CG ASN A 27 -9.122 -12.083 1.118 1.00 0.00 C ATOM 443 OD1 ASN A 27 -8.486 -13.130 1.082 1.00 0.00 O ATOM 444 ND2 ASN A 27 -10.038 -11.790 0.199 1.00 0.00 N ATOM 0 H ASN A 27 -8.133 -9.045 3.522 1.00 0.00 H new ATOM 0 HA ASN A 27 -6.736 -11.053 2.177 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -8.853 -11.537 3.189 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -9.677 -10.320 2.233 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -10.226 -12.444 -0.560 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -10.552 -10.911 0.254 1.00 0.00 H new ATOM 451 N GLU A 28 -8.217 -8.911 0.097 1.00 0.00 N ATOM 452 CA GLU A 28 -8.159 -8.388 -1.254 1.00 0.00 C ATOM 453 C GLU A 28 -6.749 -7.891 -1.563 1.00 0.00 C ATOM 454 O GLU A 28 -6.257 -8.123 -2.663 1.00 0.00 O ATOM 455 CB GLU A 28 -9.194 -7.274 -1.431 1.00 0.00 C ATOM 456 CG GLU A 28 -10.613 -7.848 -1.467 1.00 0.00 C ATOM 457 CD GLU A 28 -11.674 -6.758 -1.594 1.00 0.00 C ATOM 458 OE1 GLU A 28 -11.391 -5.740 -2.262 1.00 0.00 O ATOM 459 OE2 GLU A 28 -12.751 -6.955 -0.989 1.00 0.00 O ATOM 0 H GLU A 28 -8.920 -8.468 0.688 1.00 0.00 H new ATOM 0 HA GLU A 28 -8.398 -9.184 -1.959 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -9.107 -6.558 -0.613 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -8.994 -6.729 -2.354 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -10.702 -8.539 -2.305 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -10.793 -8.424 -0.559 1.00 0.00 H new ATOM 466 N VAL A 29 -6.101 -7.222 -0.604 1.00 0.00 N ATOM 467 CA VAL A 29 -4.745 -6.733 -0.807 1.00 0.00 C ATOM 468 C VAL A 29 -3.794 -7.893 -1.125 1.00 0.00 C ATOM 469 O VAL A 29 -3.181 -7.902 -2.189 1.00 0.00 O ATOM 470 CB VAL A 29 -4.306 -5.814 0.361 1.00 0.00 C ATOM 471 CG1 VAL A 29 -3.154 -6.306 1.246 1.00 0.00 C ATOM 472 CG2 VAL A 29 -3.870 -4.467 -0.220 1.00 0.00 C ATOM 0 H VAL A 29 -6.495 -7.011 0.313 1.00 0.00 H new ATOM 0 HA VAL A 29 -4.709 -6.092 -1.688 1.00 0.00 H new ATOM 0 HB VAL A 29 -5.182 -5.775 1.008 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.950 -5.568 2.022 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -3.430 -7.253 1.710 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -2.262 -6.447 0.636 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.557 -3.806 0.588 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -3.037 -4.619 -0.907 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -4.704 -4.015 -0.756 1.00 0.00 H new ATOM 482 N ILE A 30 -3.683 -8.891 -0.243 1.00 0.00 N ATOM 483 CA ILE A 30 -2.796 -10.023 -0.459 1.00 0.00 C ATOM 484 C ILE A 30 -3.120 -10.698 -1.793 1.00 0.00 C ATOM 485 O ILE A 30 -2.216 -10.910 -2.604 1.00 0.00 O ATOM 486 CB ILE A 30 -2.818 -10.983 0.750 1.00 0.00 C ATOM 487 CG1 ILE A 30 -2.367 -10.213 2.008 1.00 0.00 C ATOM 488 CG2 ILE A 30 -1.878 -12.174 0.497 1.00 0.00 C ATOM 489 CD1 ILE A 30 -1.974 -11.085 3.204 1.00 0.00 C ATOM 0 H ILE A 30 -4.204 -8.931 0.633 1.00 0.00 H new ATOM 0 HA ILE A 30 -1.767 -9.672 -0.532 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.829 -11.365 0.895 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -1.517 -9.584 1.743 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -3.173 -9.547 2.315 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -1.901 -12.845 1.356 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -2.204 -12.712 -0.393 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -0.861 -11.810 0.348 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.673 -10.448 4.036 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -2.825 -11.696 3.504 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.143 -11.733 2.924 1.00 0.00 H new ATOM 501 N LYS A 31 -4.396 -11.010 -2.037 1.00 0.00 N ATOM 502 CA LYS A 31 -4.803 -11.655 -3.276 1.00 0.00 C ATOM 503 C LYS A 31 -4.380 -10.827 -4.495 1.00 0.00 C ATOM 504 O LYS A 31 -3.596 -11.299 -5.315 1.00 0.00 O ATOM 505 CB LYS A 31 -6.317 -11.912 -3.271 1.00 0.00 C ATOM 506 CG LYS A 31 -6.766 -12.937 -2.217 1.00 0.00 C ATOM 507 CD LYS A 31 -6.226 -14.347 -2.493 1.00 0.00 C ATOM 508 CE LYS A 31 -6.897 -15.390 -1.589 1.00 0.00 C ATOM 509 NZ LYS A 31 -6.708 -15.093 -0.157 1.00 0.00 N ATOM 0 H LYS A 31 -5.161 -10.824 -1.389 1.00 0.00 H new ATOM 0 HA LYS A 31 -4.296 -12.617 -3.346 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -6.836 -10.970 -3.093 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -6.621 -12.262 -4.258 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -6.431 -12.610 -1.233 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -7.855 -12.969 -2.188 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -6.396 -14.605 -3.538 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -5.148 -14.363 -2.332 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -7.963 -15.429 -1.812 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -6.489 -16.376 -1.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -6.832 -15.964 0.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -5.750 -14.718 -0.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -7.409 -14.387 0.147 1.00 0.00 H new ATOM 523 N GLU A 32 -4.867 -9.589 -4.612 1.00 0.00 N ATOM 524 CA GLU A 32 -4.595 -8.743 -5.761 1.00 0.00 C ATOM 525 C GLU A 32 -3.092 -8.549 -5.964 1.00 0.00 C ATOM 526 O GLU A 32 -2.591 -8.724 -7.074 1.00 0.00 O ATOM 527 CB GLU A 32 -5.332 -7.409 -5.589 1.00 0.00 C ATOM 528 CG GLU A 32 -5.363 -6.580 -6.878 1.00 0.00 C ATOM 529 CD GLU A 32 -6.192 -7.249 -7.972 1.00 0.00 C ATOM 530 OE1 GLU A 32 -7.432 -7.259 -7.814 1.00 0.00 O ATOM 531 OE2 GLU A 32 -5.573 -7.747 -8.935 1.00 0.00 O ATOM 0 H GLU A 32 -5.461 -9.151 -3.908 1.00 0.00 H new ATOM 0 HA GLU A 32 -4.965 -9.229 -6.664 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -6.354 -7.603 -5.262 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -4.849 -6.831 -4.801 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -5.775 -5.594 -6.664 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -4.345 -6.430 -7.236 1.00 0.00 H new ATOM 538 N LEU A 33 -2.364 -8.187 -4.904 1.00 0.00 N ATOM 539 CA LEU A 33 -0.928 -7.978 -5.011 1.00 0.00 C ATOM 540 C LEU A 33 -0.252 -9.261 -5.498 1.00 0.00 C ATOM 541 O LEU A 33 0.448 -9.221 -6.505 1.00 0.00 O ATOM 542 CB LEU A 33 -0.330 -7.505 -3.683 1.00 0.00 C ATOM 543 CG LEU A 33 -0.560 -6.045 -3.299 1.00 0.00 C ATOM 544 CD1 LEU A 33 -1.853 -5.377 -3.779 1.00 0.00 C ATOM 545 CD2 LEU A 33 -0.402 -5.858 -1.787 1.00 0.00 C ATOM 0 H LEU A 33 -2.747 -8.035 -3.971 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.747 -7.189 -5.741 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.733 -8.132 -2.888 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.745 -7.682 -3.714 1.00 0.00 H new ATOM 0 HG LEU A 33 0.217 -5.521 -3.855 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.879 -4.344 -3.432 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -1.889 -5.395 -4.868 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.711 -5.916 -3.379 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.569 -4.812 -1.530 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.129 -6.480 -1.265 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.605 -6.149 -1.488 1.00 0.00 H new ATOM 557 N SER A 34 -0.474 -10.396 -4.824 1.00 0.00 N ATOM 558 CA SER A 34 0.159 -11.653 -5.220 1.00 0.00 C ATOM 559 C SER A 34 -0.161 -12.024 -6.674 1.00 0.00 C ATOM 560 O SER A 34 0.710 -12.502 -7.398 1.00 0.00 O ATOM 561 CB SER A 34 -0.188 -12.781 -4.243 1.00 0.00 C ATOM 562 OG SER A 34 -1.581 -13.016 -4.197 1.00 0.00 O ATOM 0 H SER A 34 -1.083 -10.467 -4.009 1.00 0.00 H new ATOM 0 HA SER A 34 1.238 -11.506 -5.171 1.00 0.00 H new ATOM 0 HB2 SER A 34 0.326 -13.694 -4.542 1.00 0.00 H new ATOM 0 HB3 SER A 34 0.172 -12.524 -3.247 1.00 0.00 H new ATOM 0 HG SER A 34 -2.022 -12.279 -3.724 1.00 0.00 H new ATOM 568 N LYS A 35 -1.408 -11.809 -7.108 1.00 0.00 N ATOM 569 CA LYS A 35 -1.818 -12.088 -8.479 1.00 0.00 C ATOM 570 C LYS A 35 -1.080 -11.181 -9.467 1.00 0.00 C ATOM 571 O LYS A 35 -0.543 -11.655 -10.465 1.00 0.00 O ATOM 572 CB LYS A 35 -3.333 -11.892 -8.614 1.00 0.00 C ATOM 573 CG LYS A 35 -4.103 -13.024 -7.921 1.00 0.00 C ATOM 574 CD LYS A 35 -5.590 -12.664 -7.828 1.00 0.00 C ATOM 575 CE LYS A 35 -6.365 -13.778 -7.119 1.00 0.00 C ATOM 576 NZ LYS A 35 -7.787 -13.424 -6.965 1.00 0.00 N ATOM 0 H LYS A 35 -2.154 -11.439 -6.519 1.00 0.00 H new ATOM 0 HA LYS A 35 -1.563 -13.122 -8.714 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -3.619 -10.935 -8.178 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -3.605 -11.856 -9.669 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.979 -13.953 -8.477 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -3.698 -13.193 -6.923 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -5.711 -11.726 -7.286 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -5.996 -12.509 -8.827 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -6.278 -14.704 -7.688 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -5.926 -13.963 -6.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -8.287 -14.197 -6.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -7.869 -12.553 -6.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -8.210 -13.271 -7.903 1.00 0.00 H new ATOM 590 N THR A 36 -1.068 -9.873 -9.205 1.00 0.00 N ATOM 591 CA THR A 36 -0.453 -8.904 -10.106 1.00 0.00 C ATOM 592 C THR A 36 1.075 -9.005 -10.111 1.00 0.00 C ATOM 593 O THR A 36 1.715 -8.674 -11.108 1.00 0.00 O ATOM 594 CB THR A 36 -0.950 -7.486 -9.790 1.00 0.00 C ATOM 595 OG1 THR A 36 -0.752 -7.162 -8.431 1.00 0.00 O ATOM 596 CG2 THR A 36 -2.442 -7.363 -10.116 1.00 0.00 C ATOM 0 H THR A 36 -1.481 -9.461 -8.369 1.00 0.00 H new ATOM 0 HA THR A 36 -0.766 -9.144 -11.122 1.00 0.00 H new ATOM 0 HB THR A 36 -0.375 -6.794 -10.405 1.00 0.00 H new ATOM 0 HG1 THR A 36 -1.445 -7.592 -7.888 1.00 0.00 H new ATOM 0 HG21 THR A 36 -2.782 -6.353 -9.888 1.00 0.00 H new ATOM 0 HG22 THR A 36 -2.601 -7.569 -11.174 1.00 0.00 H new ATOM 0 HG23 THR A 36 -3.005 -8.080 -9.518 1.00 0.00 H new ATOM 604 N SER A 37 1.688 -9.400 -8.996 1.00 0.00 N ATOM 605 CA SER A 37 3.123 -9.597 -8.885 1.00 0.00 C ATOM 606 C SER A 37 3.371 -10.748 -7.912 1.00 0.00 C ATOM 607 O SER A 37 2.939 -10.679 -6.766 1.00 0.00 O ATOM 608 CB SER A 37 3.775 -8.290 -8.441 1.00 0.00 C ATOM 609 OG SER A 37 3.675 -7.333 -9.481 1.00 0.00 O ATOM 0 H SER A 37 1.186 -9.595 -8.130 1.00 0.00 H new ATOM 0 HA SER A 37 3.571 -9.865 -9.842 1.00 0.00 H new ATOM 0 HB2 SER A 37 3.288 -7.916 -7.541 1.00 0.00 H new ATOM 0 HB3 SER A 37 4.822 -8.461 -8.189 1.00 0.00 H new ATOM 0 HG SER A 37 3.141 -7.702 -10.215 1.00 0.00 H new ATOM 615 N THR A 38 4.068 -11.794 -8.362 1.00 0.00 N ATOM 616 CA THR A 38 4.327 -13.012 -7.609 1.00 0.00 C ATOM 617 C THR A 38 5.152 -12.746 -6.346 1.00 0.00 C ATOM 618 O THR A 38 6.363 -12.967 -6.334 1.00 0.00 O ATOM 619 CB THR A 38 5.032 -14.005 -8.541 1.00 0.00 C ATOM 620 OG1 THR A 38 6.151 -13.362 -9.113 1.00 0.00 O ATOM 621 CG2 THR A 38 4.105 -14.479 -9.665 1.00 0.00 C ATOM 0 H THR A 38 4.480 -11.811 -9.295 1.00 0.00 H new ATOM 0 HA THR A 38 3.382 -13.430 -7.263 1.00 0.00 H new ATOM 0 HB THR A 38 5.331 -14.876 -7.958 1.00 0.00 H new ATOM 0 HG1 THR A 38 6.692 -12.956 -8.404 1.00 0.00 H new ATOM 0 HG21 THR A 38 4.639 -15.181 -10.305 1.00 0.00 H new ATOM 0 HG22 THR A 38 3.233 -14.971 -9.234 1.00 0.00 H new ATOM 0 HG23 THR A 38 3.782 -13.622 -10.256 1.00 0.00 H new ATOM 629 N TRP A 39 4.481 -12.279 -5.295 1.00 0.00 N ATOM 630 CA TRP A 39 5.012 -11.968 -3.984 1.00 0.00 C ATOM 631 C TRP A 39 4.232 -12.796 -2.960 1.00 0.00 C ATOM 632 O TRP A 39 3.016 -12.950 -3.089 1.00 0.00 O ATOM 633 CB TRP A 39 4.831 -10.466 -3.760 1.00 0.00 C ATOM 634 CG TRP A 39 5.596 -9.551 -4.667 1.00 0.00 C ATOM 635 CD1 TRP A 39 6.802 -9.802 -5.226 1.00 0.00 C ATOM 636 CD2 TRP A 39 5.220 -8.219 -5.124 1.00 0.00 C ATOM 637 NE1 TRP A 39 7.199 -8.728 -5.995 1.00 0.00 N ATOM 638 CE2 TRP A 39 6.258 -7.720 -5.965 1.00 0.00 C ATOM 639 CE3 TRP A 39 4.102 -7.382 -4.919 1.00 0.00 C ATOM 640 CZ2 TRP A 39 6.193 -6.456 -6.568 1.00 0.00 C ATOM 641 CZ3 TRP A 39 4.019 -6.118 -5.531 1.00 0.00 C ATOM 642 CH2 TRP A 39 5.066 -5.651 -6.345 1.00 0.00 C ATOM 0 H TRP A 39 3.479 -12.097 -5.349 1.00 0.00 H new ATOM 0 HA TRP A 39 6.071 -12.209 -3.888 1.00 0.00 H new ATOM 0 HB2 TRP A 39 3.771 -10.233 -3.858 1.00 0.00 H new ATOM 0 HB3 TRP A 39 5.113 -10.239 -2.732 1.00 0.00 H new ATOM 0 HD1 TRP A 39 7.371 -10.710 -5.090 1.00 0.00 H new ATOM 0 HE1 TRP A 39 8.074 -8.685 -6.517 1.00 0.00 H new ATOM 0 HE3 TRP A 39 3.297 -7.717 -4.282 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 7.000 -6.107 -7.196 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 3.145 -5.502 -5.375 1.00 0.00 H new ATOM 0 HH2 TRP A 39 5.003 -4.673 -6.798 1.00 0.00 H new ATOM 653 N SER A 40 4.921 -13.357 -1.960 1.00 0.00 N ATOM 654 CA SER A 40 4.281 -14.213 -0.967 1.00 0.00 C ATOM 655 C SER A 40 3.544 -13.363 0.073 1.00 0.00 C ATOM 656 O SER A 40 3.851 -12.179 0.203 1.00 0.00 O ATOM 657 CB SER A 40 5.344 -15.092 -0.294 1.00 0.00 C ATOM 658 OG SER A 40 6.125 -14.336 0.616 1.00 0.00 O ATOM 0 H SER A 40 5.923 -13.230 -1.821 1.00 0.00 H new ATOM 0 HA SER A 40 3.549 -14.854 -1.459 1.00 0.00 H new ATOM 0 HB2 SER A 40 4.861 -15.915 0.232 1.00 0.00 H new ATOM 0 HB3 SER A 40 5.989 -15.534 -1.053 1.00 0.00 H new ATOM 0 HG SER A 40 6.576 -13.610 0.136 1.00 0.00 H new ATOM 664 N PRO A 41 2.615 -13.936 0.858 1.00 0.00 N ATOM 665 CA PRO A 41 1.959 -13.217 1.941 1.00 0.00 C ATOM 666 C PRO A 41 2.970 -12.543 2.874 1.00 0.00 C ATOM 667 O PRO A 41 2.704 -11.466 3.404 1.00 0.00 O ATOM 668 CB PRO A 41 1.118 -14.263 2.676 1.00 0.00 C ATOM 669 CG PRO A 41 0.779 -15.257 1.566 1.00 0.00 C ATOM 670 CD PRO A 41 2.059 -15.274 0.730 1.00 0.00 C ATOM 0 HA PRO A 41 1.341 -12.404 1.560 1.00 0.00 H new ATOM 0 HB2 PRO A 41 1.674 -14.734 3.486 1.00 0.00 H new ATOM 0 HB3 PRO A 41 0.222 -13.826 3.117 1.00 0.00 H new ATOM 0 HG2 PRO A 41 0.542 -16.244 1.964 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -0.082 -14.934 0.982 1.00 0.00 H new ATOM 0 HD2 PRO A 41 2.757 -16.027 1.094 1.00 0.00 H new ATOM 0 HD3 PRO A 41 1.846 -15.514 -0.312 1.00 0.00 H new ATOM 678 N LYS A 42 4.126 -13.177 3.101 1.00 0.00 N ATOM 679 CA LYS A 42 5.190 -12.610 3.918 1.00 0.00 C ATOM 680 C LYS A 42 5.682 -11.324 3.252 1.00 0.00 C ATOM 681 O LYS A 42 5.780 -10.275 3.887 1.00 0.00 O ATOM 682 CB LYS A 42 6.343 -13.613 4.060 1.00 0.00 C ATOM 683 CG LYS A 42 5.876 -14.976 4.590 1.00 0.00 C ATOM 684 CD LYS A 42 7.056 -15.923 4.853 1.00 0.00 C ATOM 685 CE LYS A 42 7.980 -16.126 3.642 1.00 0.00 C ATOM 686 NZ LYS A 42 7.240 -16.489 2.420 1.00 0.00 N ATOM 0 H LYS A 42 4.344 -14.098 2.721 1.00 0.00 H new ATOM 0 HA LYS A 42 4.812 -12.387 4.916 1.00 0.00 H new ATOM 0 HB2 LYS A 42 6.823 -13.749 3.091 1.00 0.00 H new ATOM 0 HB3 LYS A 42 7.095 -13.203 4.734 1.00 0.00 H new ATOM 0 HG2 LYS A 42 5.313 -14.833 5.512 1.00 0.00 H new ATOM 0 HG3 LYS A 42 5.198 -15.433 3.869 1.00 0.00 H new ATOM 0 HD2 LYS A 42 7.644 -15.532 5.683 1.00 0.00 H new ATOM 0 HD3 LYS A 42 6.667 -16.892 5.166 1.00 0.00 H new ATOM 0 HE2 LYS A 42 8.544 -15.211 3.462 1.00 0.00 H new ATOM 0 HE3 LYS A 42 8.705 -16.908 3.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 7.858 -17.041 1.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 6.407 -17.058 2.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 6.932 -15.624 1.931 1.00 0.00 H new ATOM 700 N THR A 43 5.981 -11.412 1.953 1.00 0.00 N ATOM 701 CA THR A 43 6.419 -10.285 1.150 1.00 0.00 C ATOM 702 C THR A 43 5.387 -9.156 1.241 1.00 0.00 C ATOM 703 O THR A 43 5.745 -8.011 1.511 1.00 0.00 O ATOM 704 CB THR A 43 6.621 -10.753 -0.299 1.00 0.00 C ATOM 705 OG1 THR A 43 7.248 -12.024 -0.336 1.00 0.00 O ATOM 706 CG2 THR A 43 7.452 -9.753 -1.106 1.00 0.00 C ATOM 0 H THR A 43 5.922 -12.285 1.429 1.00 0.00 H new ATOM 0 HA THR A 43 7.368 -9.898 1.522 1.00 0.00 H new ATOM 0 HB THR A 43 5.632 -10.824 -0.751 1.00 0.00 H new ATOM 0 HG1 THR A 43 7.650 -12.165 -1.218 1.00 0.00 H new ATOM 0 HG21 THR A 43 7.573 -10.119 -2.125 1.00 0.00 H new ATOM 0 HG22 THR A 43 6.944 -8.789 -1.125 1.00 0.00 H new ATOM 0 HG23 THR A 43 8.432 -9.637 -0.643 1.00 0.00 H new ATOM 714 N ILE A 44 4.103 -9.478 1.043 1.00 0.00 N ATOM 715 CA ILE A 44 3.042 -8.483 1.118 1.00 0.00 C ATOM 716 C ILE A 44 3.039 -7.821 2.494 1.00 0.00 C ATOM 717 O ILE A 44 3.065 -6.596 2.587 1.00 0.00 O ATOM 718 CB ILE A 44 1.664 -9.077 0.773 1.00 0.00 C ATOM 719 CG1 ILE A 44 1.608 -9.732 -0.619 1.00 0.00 C ATOM 720 CG2 ILE A 44 0.620 -7.957 0.883 1.00 0.00 C ATOM 721 CD1 ILE A 44 2.253 -8.902 -1.729 1.00 0.00 C ATOM 0 H ILE A 44 3.780 -10.422 0.830 1.00 0.00 H new ATOM 0 HA ILE A 44 3.244 -7.720 0.367 1.00 0.00 H new ATOM 0 HB ILE A 44 1.456 -9.879 1.481 1.00 0.00 H new ATOM 0 HG12 ILE A 44 2.103 -10.702 -0.572 1.00 0.00 H new ATOM 0 HG13 ILE A 44 0.566 -9.918 -0.879 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -0.366 -8.354 0.643 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.615 -7.563 1.899 1.00 0.00 H new ATOM 0 HG23 ILE A 44 0.869 -7.158 0.185 1.00 0.00 H new ATOM 0 HD11 ILE A 44 2.171 -9.435 -2.676 1.00 0.00 H new ATOM 0 HD12 ILE A 44 1.744 -7.941 -1.807 1.00 0.00 H new ATOM 0 HD13 ILE A 44 3.305 -8.737 -1.496 1.00 0.00 H new ATOM 733 N GLN A 45 3.016 -8.618 3.565 1.00 0.00 N ATOM 734 CA GLN A 45 3.047 -8.087 4.920 1.00 0.00 C ATOM 735 C GLN A 45 4.261 -7.173 5.109 1.00 0.00 C ATOM 736 O GLN A 45 4.140 -6.111 5.714 1.00 0.00 O ATOM 737 CB GLN A 45 2.995 -9.236 5.930 1.00 0.00 C ATOM 738 CG GLN A 45 1.583 -9.841 5.956 1.00 0.00 C ATOM 739 CD GLN A 45 1.563 -11.164 6.709 1.00 0.00 C ATOM 740 OE1 GLN A 45 1.080 -11.251 7.832 1.00 0.00 O ATOM 741 NE2 GLN A 45 2.093 -12.207 6.082 1.00 0.00 N ATOM 0 H GLN A 45 2.976 -9.636 3.514 1.00 0.00 H new ATOM 0 HA GLN A 45 2.167 -7.468 5.096 1.00 0.00 H new ATOM 0 HB2 GLN A 45 3.724 -10.001 5.662 1.00 0.00 H new ATOM 0 HB3 GLN A 45 3.264 -8.873 6.922 1.00 0.00 H new ATOM 0 HG2 GLN A 45 0.894 -9.141 6.428 1.00 0.00 H new ATOM 0 HG3 GLN A 45 1.232 -9.995 4.936 1.00 0.00 H new ATOM 0 HE21 GLN A 45 2.485 -12.095 5.147 1.00 0.00 H new ATOM 0 HE22 GLN A 45 2.108 -13.121 6.535 1.00 0.00 H new ATOM 750 N THR A 46 5.418 -7.554 4.562 1.00 0.00 N ATOM 751 CA THR A 46 6.615 -6.726 4.629 1.00 0.00 C ATOM 752 C THR A 46 6.366 -5.384 3.924 1.00 0.00 C ATOM 753 O THR A 46 6.639 -4.329 4.495 1.00 0.00 O ATOM 754 CB THR A 46 7.825 -7.484 4.056 1.00 0.00 C ATOM 755 OG1 THR A 46 7.946 -8.746 4.682 1.00 0.00 O ATOM 756 CG2 THR A 46 9.131 -6.725 4.301 1.00 0.00 C ATOM 0 H THR A 46 5.547 -8.436 4.066 1.00 0.00 H new ATOM 0 HA THR A 46 6.849 -6.504 5.670 1.00 0.00 H new ATOM 0 HB THR A 46 7.657 -7.590 2.984 1.00 0.00 H new ATOM 0 HG1 THR A 46 7.256 -9.350 4.337 1.00 0.00 H new ATOM 0 HG21 THR A 46 9.964 -7.290 3.883 1.00 0.00 H new ATOM 0 HG22 THR A 46 9.079 -5.747 3.822 1.00 0.00 H new ATOM 0 HG23 THR A 46 9.281 -6.596 5.373 1.00 0.00 H new ATOM 764 N MET A 47 5.843 -5.402 2.692 1.00 0.00 N ATOM 765 CA MET A 47 5.545 -4.178 1.947 1.00 0.00 C ATOM 766 C MET A 47 4.575 -3.286 2.731 1.00 0.00 C ATOM 767 O MET A 47 4.808 -2.085 2.878 1.00 0.00 O ATOM 768 CB MET A 47 4.996 -4.514 0.555 1.00 0.00 C ATOM 769 CG MET A 47 6.091 -5.086 -0.351 1.00 0.00 C ATOM 770 SD MET A 47 5.544 -5.501 -2.026 1.00 0.00 S ATOM 771 CE MET A 47 7.153 -5.815 -2.782 1.00 0.00 C ATOM 0 H MET A 47 5.617 -6.260 2.189 1.00 0.00 H new ATOM 0 HA MET A 47 6.472 -3.620 1.814 1.00 0.00 H new ATOM 0 HB2 MET A 47 4.183 -5.234 0.646 1.00 0.00 H new ATOM 0 HB3 MET A 47 4.577 -3.616 0.100 1.00 0.00 H new ATOM 0 HG2 MET A 47 6.904 -4.363 -0.417 1.00 0.00 H new ATOM 0 HG3 MET A 47 6.499 -5.982 0.116 1.00 0.00 H new ATOM 0 HE1 MET A 47 7.056 -5.790 -3.867 1.00 0.00 H new ATOM 0 HE2 MET A 47 7.861 -5.050 -2.463 1.00 0.00 H new ATOM 0 HE3 MET A 47 7.515 -6.796 -2.473 1.00 0.00 H new ATOM 781 N LEU A 48 3.490 -3.873 3.242 1.00 0.00 N ATOM 782 CA LEU A 48 2.521 -3.150 4.053 1.00 0.00 C ATOM 783 C LEU A 48 3.242 -2.513 5.242 1.00 0.00 C ATOM 784 O LEU A 48 3.115 -1.312 5.466 1.00 0.00 O ATOM 785 CB LEU A 48 1.401 -4.088 4.522 1.00 0.00 C ATOM 786 CG LEU A 48 0.496 -4.589 3.384 1.00 0.00 C ATOM 787 CD1 LEU A 48 -0.353 -5.754 3.903 1.00 0.00 C ATOM 788 CD2 LEU A 48 -0.430 -3.483 2.862 1.00 0.00 C ATOM 0 H LEU A 48 3.264 -4.858 3.103 1.00 0.00 H new ATOM 0 HA LEU A 48 2.059 -2.364 3.455 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.845 -4.947 5.025 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.789 -3.568 5.259 1.00 0.00 H new ATOM 0 HG LEU A 48 1.132 -4.909 2.559 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -0.999 -6.118 3.104 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.300 -6.560 4.236 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.965 -5.414 4.738 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -1.052 -3.878 2.059 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.066 -3.128 3.673 1.00 0.00 H new ATOM 0 HD23 LEU A 48 0.169 -2.656 2.482 1.00 0.00 H new ATOM 800 N LEU A 49 4.020 -3.305 5.986 1.00 0.00 N ATOM 801 CA LEU A 49 4.785 -2.832 7.131 1.00 0.00 C ATOM 802 C LEU A 49 5.647 -1.634 6.726 1.00 0.00 C ATOM 803 O LEU A 49 5.617 -0.611 7.407 1.00 0.00 O ATOM 804 CB LEU A 49 5.587 -4.002 7.730 1.00 0.00 C ATOM 805 CG LEU A 49 6.380 -3.724 9.021 1.00 0.00 C ATOM 806 CD1 LEU A 49 7.714 -3.012 8.767 1.00 0.00 C ATOM 807 CD2 LEU A 49 5.559 -2.974 10.075 1.00 0.00 C ATOM 0 H LEU A 49 4.134 -4.302 5.804 1.00 0.00 H new ATOM 0 HA LEU A 49 4.121 -2.473 7.918 1.00 0.00 H new ATOM 0 HB2 LEU A 49 4.894 -4.820 7.929 1.00 0.00 H new ATOM 0 HB3 LEU A 49 6.287 -4.354 6.973 1.00 0.00 H new ATOM 0 HG LEU A 49 6.610 -4.710 9.424 1.00 0.00 H new ATOM 0 HD11 LEU A 49 8.224 -2.845 9.716 1.00 0.00 H new ATOM 0 HD12 LEU A 49 8.339 -3.630 8.123 1.00 0.00 H new ATOM 0 HD13 LEU A 49 7.528 -2.054 8.282 1.00 0.00 H new ATOM 0 HD21 LEU A 49 6.171 -2.807 10.962 1.00 0.00 H new ATOM 0 HD22 LEU A 49 5.237 -2.014 9.670 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.684 -3.566 10.344 1.00 0.00 H new ATOM 819 N ARG A 50 6.391 -1.734 5.617 1.00 0.00 N ATOM 820 CA ARG A 50 7.206 -0.633 5.117 1.00 0.00 C ATOM 821 C ARG A 50 6.357 0.627 4.953 1.00 0.00 C ATOM 822 O ARG A 50 6.660 1.664 5.538 1.00 0.00 O ATOM 823 CB ARG A 50 7.876 -1.005 3.793 1.00 0.00 C ATOM 824 CG ARG A 50 9.193 -1.745 4.049 1.00 0.00 C ATOM 825 CD ARG A 50 9.385 -2.833 3.001 1.00 0.00 C ATOM 826 NE ARG A 50 9.316 -2.324 1.622 1.00 0.00 N ATOM 827 CZ ARG A 50 10.347 -1.811 0.934 1.00 0.00 C ATOM 828 NH1 ARG A 50 11.526 -1.614 1.527 1.00 0.00 N ATOM 829 NH2 ARG A 50 10.202 -1.501 -0.358 1.00 0.00 N ATOM 0 H ARG A 50 6.441 -2.579 5.047 1.00 0.00 H new ATOM 0 HA ARG A 50 7.990 -0.432 5.847 1.00 0.00 H new ATOM 0 HB2 ARG A 50 7.208 -1.633 3.204 1.00 0.00 H new ATOM 0 HB3 ARG A 50 8.065 -0.105 3.209 1.00 0.00 H new ATOM 0 HG2 ARG A 50 10.027 -1.044 4.016 1.00 0.00 H new ATOM 0 HG3 ARG A 50 9.186 -2.185 5.046 1.00 0.00 H new ATOM 0 HD2 ARG A 50 10.351 -3.313 3.157 1.00 0.00 H new ATOM 0 HD3 ARG A 50 8.622 -3.600 3.138 1.00 0.00 H new ATOM 0 HE ARG A 50 8.412 -2.365 1.152 1.00 0.00 H new ATOM 0 HH11 ARG A 50 11.648 -1.854 2.511 1.00 0.00 H new ATOM 0 HH12 ARG A 50 12.305 -1.223 0.997 1.00 0.00 H new ATOM 0 HH21 ARG A 50 9.307 -1.654 -0.822 1.00 0.00 H new ATOM 0 HH22 ARG A 50 10.987 -1.111 -0.880 1.00 0.00 H new ATOM 843 N LEU A 51 5.287 0.537 4.162 1.00 0.00 N ATOM 844 CA LEU A 51 4.426 1.683 3.890 1.00 0.00 C ATOM 845 C LEU A 51 3.789 2.262 5.159 1.00 0.00 C ATOM 846 O LEU A 51 3.642 3.481 5.273 1.00 0.00 O ATOM 847 CB LEU A 51 3.390 1.324 2.820 1.00 0.00 C ATOM 848 CG LEU A 51 4.025 1.065 1.442 1.00 0.00 C ATOM 849 CD1 LEU A 51 2.932 0.693 0.437 1.00 0.00 C ATOM 850 CD2 LEU A 51 4.764 2.295 0.900 1.00 0.00 C ATOM 0 H LEU A 51 4.997 -0.324 3.697 1.00 0.00 H new ATOM 0 HA LEU A 51 5.052 2.484 3.496 1.00 0.00 H new ATOM 0 HB2 LEU A 51 2.841 0.437 3.135 1.00 0.00 H new ATOM 0 HB3 LEU A 51 2.666 2.134 2.735 1.00 0.00 H new ATOM 0 HG LEU A 51 4.743 0.255 1.570 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.382 0.510 -0.539 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.418 -0.207 0.775 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.216 1.511 0.358 1.00 0.00 H new ATOM 0 HD21 LEU A 51 5.194 2.061 -0.074 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.064 3.124 0.798 1.00 0.00 H new ATOM 0 HD23 LEU A 51 5.560 2.575 1.590 1.00 0.00 H new ATOM 862 N ILE A 52 3.407 1.410 6.112 1.00 0.00 N ATOM 863 CA ILE A 52 2.862 1.854 7.387 1.00 0.00 C ATOM 864 C ILE A 52 3.952 2.602 8.161 1.00 0.00 C ATOM 865 O ILE A 52 3.716 3.713 8.625 1.00 0.00 O ATOM 866 CB ILE A 52 2.262 0.660 8.151 1.00 0.00 C ATOM 867 CG1 ILE A 52 1.016 0.166 7.389 1.00 0.00 C ATOM 868 CG2 ILE A 52 1.876 1.059 9.584 1.00 0.00 C ATOM 869 CD1 ILE A 52 0.510 -1.191 7.884 1.00 0.00 C ATOM 0 H ILE A 52 3.468 0.396 6.018 1.00 0.00 H new ATOM 0 HA ILE A 52 2.040 2.554 7.238 1.00 0.00 H new ATOM 0 HB ILE A 52 3.006 -0.134 8.216 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.219 0.903 7.490 1.00 0.00 H new ATOM 0 HG13 ILE A 52 1.251 0.094 6.327 1.00 0.00 H new ATOM 0 HG21 ILE A 52 1.455 0.197 10.101 1.00 0.00 H new ATOM 0 HG22 ILE A 52 2.762 1.404 10.117 1.00 0.00 H new ATOM 0 HG23 ILE A 52 1.137 1.860 9.552 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.368 -1.484 7.309 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.293 -1.939 7.758 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.245 -1.118 8.939 1.00 0.00 H new ATOM 881 N LYS A 53 5.157 2.031 8.277 1.00 0.00 N ATOM 882 CA LYS A 53 6.279 2.680 8.954 1.00 0.00 C ATOM 883 C LYS A 53 6.585 4.030 8.293 1.00 0.00 C ATOM 884 O LYS A 53 6.887 5.009 8.970 1.00 0.00 O ATOM 885 CB LYS A 53 7.504 1.752 8.944 1.00 0.00 C ATOM 886 CG LYS A 53 8.612 2.276 9.870 1.00 0.00 C ATOM 887 CD LYS A 53 9.927 1.494 9.731 1.00 0.00 C ATOM 888 CE LYS A 53 9.787 -0.012 9.983 1.00 0.00 C ATOM 889 NZ LYS A 53 9.178 -0.303 11.293 1.00 0.00 N ATOM 0 H LYS A 53 5.378 1.108 7.904 1.00 0.00 H new ATOM 0 HA LYS A 53 6.014 2.873 9.994 1.00 0.00 H new ATOM 0 HB2 LYS A 53 7.207 0.752 9.259 1.00 0.00 H new ATOM 0 HB3 LYS A 53 7.888 1.665 7.928 1.00 0.00 H new ATOM 0 HG2 LYS A 53 8.796 3.328 9.650 1.00 0.00 H new ATOM 0 HG3 LYS A 53 8.270 2.222 10.904 1.00 0.00 H new ATOM 0 HD2 LYS A 53 10.325 1.649 8.728 1.00 0.00 H new ATOM 0 HD3 LYS A 53 10.656 1.903 10.430 1.00 0.00 H new ATOM 0 HE2 LYS A 53 9.179 -0.455 9.195 1.00 0.00 H new ATOM 0 HE3 LYS A 53 10.770 -0.481 9.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 9.196 -1.329 11.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 9.714 0.182 12.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 8.193 0.032 11.300 1.00 0.00 H new ATOM 903 N LYS A 54 6.476 4.080 6.964 1.00 0.00 N ATOM 904 CA LYS A 54 6.692 5.272 6.155 1.00 0.00 C ATOM 905 C LYS A 54 5.540 6.276 6.339 1.00 0.00 C ATOM 906 O LYS A 54 5.635 7.410 5.877 1.00 0.00 O ATOM 907 CB LYS A 54 6.801 4.799 4.696 1.00 0.00 C ATOM 908 CG LYS A 54 7.302 5.823 3.672 1.00 0.00 C ATOM 909 CD LYS A 54 7.206 5.167 2.286 1.00 0.00 C ATOM 910 CE LYS A 54 7.709 6.072 1.160 1.00 0.00 C ATOM 911 NZ LYS A 54 9.174 6.220 1.174 1.00 0.00 N ATOM 0 H LYS A 54 6.227 3.263 6.407 1.00 0.00 H new ATOM 0 HA LYS A 54 7.601 5.793 6.456 1.00 0.00 H new ATOM 0 HB2 LYS A 54 7.467 3.937 4.668 1.00 0.00 H new ATOM 0 HB3 LYS A 54 5.818 4.453 4.377 1.00 0.00 H new ATOM 0 HG2 LYS A 54 6.700 6.731 3.710 1.00 0.00 H new ATOM 0 HG3 LYS A 54 8.330 6.113 3.890 1.00 0.00 H new ATOM 0 HD2 LYS A 54 7.783 4.243 2.287 1.00 0.00 H new ATOM 0 HD3 LYS A 54 6.169 4.895 2.090 1.00 0.00 H new ATOM 0 HE2 LYS A 54 7.397 5.661 0.200 1.00 0.00 H new ATOM 0 HE3 LYS A 54 7.246 7.054 1.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 9.490 6.635 0.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 9.453 6.842 1.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 9.616 5.287 1.298 1.00 0.00 H new ATOM 925 N GLY A 55 4.442 5.873 6.991 1.00 0.00 N ATOM 926 CA GLY A 55 3.271 6.706 7.216 1.00 0.00 C ATOM 927 C GLY A 55 2.481 6.946 5.930 1.00 0.00 C ATOM 928 O GLY A 55 1.595 7.798 5.914 1.00 0.00 O ATOM 0 H GLY A 55 4.349 4.936 7.383 1.00 0.00 H new ATOM 0 HA2 GLY A 55 2.625 6.231 7.954 1.00 0.00 H new ATOM 0 HA3 GLY A 55 3.582 7.663 7.634 1.00 0.00 H new ATOM 932 N ALA A 56 2.774 6.180 4.871 1.00 0.00 N ATOM 933 CA ALA A 56 2.135 6.312 3.568 1.00 0.00 C ATOM 934 C ALA A 56 0.718 5.745 3.595 1.00 0.00 C ATOM 935 O ALA A 56 -0.144 6.172 2.827 1.00 0.00 O ATOM 936 CB ALA A 56 2.985 5.593 2.519 1.00 0.00 C ATOM 0 H ALA A 56 3.475 5.440 4.903 1.00 0.00 H new ATOM 0 HA ALA A 56 2.060 7.369 3.312 1.00 0.00 H new ATOM 0 HB1 ALA A 56 2.513 5.688 1.541 1.00 0.00 H new ATOM 0 HB2 ALA A 56 3.979 6.040 2.487 1.00 0.00 H new ATOM 0 HB3 ALA A 56 3.070 4.538 2.780 1.00 0.00 H new ATOM 942 N LEU A 57 0.494 4.743 4.449 1.00 0.00 N ATOM 943 CA LEU A 57 -0.793 4.108 4.656 1.00 0.00 C ATOM 944 C LEU A 57 -1.001 3.971 6.164 1.00 0.00 C ATOM 945 O LEU A 57 -0.039 4.035 6.929 1.00 0.00 O ATOM 946 CB LEU A 57 -0.830 2.713 4.014 1.00 0.00 C ATOM 947 CG LEU A 57 -0.384 2.592 2.545 1.00 0.00 C ATOM 948 CD1 LEU A 57 -0.310 1.096 2.236 1.00 0.00 C ATOM 949 CD2 LEU A 57 -1.325 3.256 1.532 1.00 0.00 C ATOM 0 H LEU A 57 1.232 4.345 5.030 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.577 4.711 4.197 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.202 2.052 4.611 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.850 2.336 4.087 1.00 0.00 H new ATOM 0 HG LEU A 57 0.568 3.112 2.443 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.003 0.953 1.202 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.411 0.622 2.902 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -1.291 0.645 2.383 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.930 3.120 0.525 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.313 2.800 1.599 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.402 4.321 1.751 1.00 0.00 H new ATOM 961 N ASN A 58 -2.247 3.760 6.583 1.00 0.00 N ATOM 962 CA ASN A 58 -2.643 3.542 7.968 1.00 0.00 C ATOM 963 C ASN A 58 -3.655 2.393 7.971 1.00 0.00 C ATOM 964 O ASN A 58 -4.275 2.140 6.941 1.00 0.00 O ATOM 965 CB ASN A 58 -3.192 4.854 8.542 1.00 0.00 C ATOM 966 CG ASN A 58 -3.689 4.717 9.976 1.00 0.00 C ATOM 967 OD1 ASN A 58 -4.787 5.157 10.295 1.00 0.00 O ATOM 968 ND2 ASN A 58 -2.891 4.122 10.859 1.00 0.00 N ATOM 0 H ASN A 58 -3.038 3.736 5.939 1.00 0.00 H new ATOM 0 HA ASN A 58 -1.809 3.258 8.609 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -2.412 5.614 8.505 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -4.009 5.205 7.912 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -3.188 4.023 11.830 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -1.982 3.765 10.565 1.00 0.00 H new ATOM 975 N HIS A 59 -3.787 1.663 9.083 1.00 0.00 N ATOM 976 CA HIS A 59 -4.637 0.478 9.200 1.00 0.00 C ATOM 977 C HIS A 59 -5.845 0.764 10.080 1.00 0.00 C ATOM 978 O HIS A 59 -5.735 1.492 11.066 1.00 0.00 O ATOM 979 CB HIS A 59 -3.779 -0.680 9.729 1.00 0.00 C ATOM 980 CG HIS A 59 -4.454 -1.887 10.339 1.00 0.00 C ATOM 981 ND1 HIS A 59 -5.380 -1.791 11.379 1.00 0.00 N ATOM 982 CD2 HIS A 59 -4.151 -3.211 10.156 1.00 0.00 C ATOM 983 CE1 HIS A 59 -5.606 -3.047 11.769 1.00 0.00 C ATOM 984 NE2 HIS A 59 -4.886 -3.937 11.070 1.00 0.00 N ATOM 0 H HIS A 59 -3.293 1.887 9.947 1.00 0.00 H new ATOM 0 HA HIS A 59 -5.037 0.196 8.226 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -3.162 -1.033 8.903 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -3.103 -0.270 10.479 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -3.462 -3.613 9.428 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -6.292 -3.317 12.559 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -4.883 -4.950 11.190 1.00 0.00 H new ATOM 992 N HIS A 60 -6.989 0.195 9.692 1.00 0.00 N ATOM 993 CA HIS A 60 -8.254 0.303 10.416 1.00 0.00 C ATOM 994 C HIS A 60 -8.970 -1.044 10.391 1.00 0.00 C ATOM 995 O HIS A 60 -9.136 -1.624 9.319 1.00 0.00 O ATOM 996 CB HIS A 60 -9.144 1.383 9.788 1.00 0.00 C ATOM 997 CG HIS A 60 -8.646 2.771 10.070 1.00 0.00 C ATOM 998 ND1 HIS A 60 -9.150 3.526 11.128 1.00 0.00 N ATOM 999 CD2 HIS A 60 -7.622 3.458 9.478 1.00 0.00 C ATOM 1000 CE1 HIS A 60 -8.382 4.619 11.160 1.00 0.00 C ATOM 1001 NE2 HIS A 60 -7.435 4.610 10.209 1.00 0.00 N ATOM 0 H HIS A 60 -7.061 -0.367 8.844 1.00 0.00 H new ATOM 0 HA HIS A 60 -8.048 0.586 11.448 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -9.191 1.229 8.710 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -10.160 1.280 10.170 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -7.066 3.155 8.603 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -8.509 5.421 11.872 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -6.717 5.318 10.057 1.00 0.00 H new ATOM 1009 N LYS A 61 -9.405 -1.544 11.554 1.00 0.00 N ATOM 1010 CA LYS A 61 -10.132 -2.802 11.648 1.00 0.00 C ATOM 1011 C LYS A 61 -11.612 -2.544 11.378 1.00 0.00 C ATOM 1012 O LYS A 61 -12.344 -2.115 12.269 1.00 0.00 O ATOM 1013 CB LYS A 61 -9.890 -3.490 12.998 1.00 0.00 C ATOM 1014 CG LYS A 61 -10.537 -4.886 13.004 1.00 0.00 C ATOM 1015 CD LYS A 61 -10.160 -5.664 14.269 1.00 0.00 C ATOM 1016 CE LYS A 61 -10.878 -7.019 14.333 1.00 0.00 C ATOM 1017 NZ LYS A 61 -10.498 -7.910 13.221 1.00 0.00 N ATOM 0 H LYS A 61 -9.260 -1.083 12.452 1.00 0.00 H new ATOM 0 HA LYS A 61 -9.762 -3.494 10.892 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -8.819 -3.576 13.184 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -10.306 -2.884 13.803 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -11.621 -4.788 12.943 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -10.217 -5.442 12.123 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -9.082 -5.821 14.292 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -10.415 -5.074 15.149 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -10.646 -7.506 15.280 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -11.956 -6.857 14.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -10.431 -8.888 13.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -11.218 -7.857 12.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -9.577 -7.614 12.838 1.00 0.00 H new ATOM 1031 N GLU A 62 -12.079 -2.857 10.167 1.00 0.00 N ATOM 1032 CA GLU A 62 -13.470 -2.622 9.818 1.00 0.00 C ATOM 1033 C GLU A 62 -14.290 -3.825 10.274 1.00 0.00 C ATOM 1034 O GLU A 62 -14.654 -4.697 9.483 1.00 0.00 O ATOM 1035 CB GLU A 62 -13.622 -2.346 8.319 1.00 0.00 C ATOM 1036 CG GLU A 62 -12.940 -1.022 7.956 1.00 0.00 C ATOM 1037 CD GLU A 62 -13.651 0.194 8.541 1.00 0.00 C ATOM 1038 OE1 GLU A 62 -14.819 0.410 8.152 1.00 0.00 O ATOM 1039 OE2 GLU A 62 -13.015 0.881 9.369 1.00 0.00 O ATOM 0 H GLU A 62 -11.516 -3.269 9.423 1.00 0.00 H new ATOM 0 HA GLU A 62 -13.840 -1.732 10.326 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -13.181 -3.161 7.745 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -14.679 -2.305 8.054 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -11.910 -1.040 8.313 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -12.900 -0.926 6.871 1.00 0.00 H new ATOM 1046 N GLY A 63 -14.567 -3.856 11.580 1.00 0.00 N ATOM 1047 CA GLY A 63 -15.381 -4.868 12.236 1.00 0.00 C ATOM 1048 C GLY A 63 -14.685 -6.225 12.323 1.00 0.00 C ATOM 1049 O GLY A 63 -14.453 -6.733 13.419 1.00 0.00 O ATOM 0 H GLY A 63 -14.216 -3.150 12.227 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -15.633 -4.529 13.241 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -16.319 -4.981 11.693 1.00 0.00 H new ATOM 1053 N ARG A 64 -14.388 -6.827 11.170 1.00 0.00 N ATOM 1054 CA ARG A 64 -13.759 -8.136 11.054 1.00 0.00 C ATOM 1055 C ARG A 64 -12.539 -8.091 10.135 1.00 0.00 C ATOM 1056 O ARG A 64 -11.518 -8.692 10.463 1.00 0.00 O ATOM 1057 CB ARG A 64 -14.782 -9.168 10.563 1.00 0.00 C ATOM 1058 CG ARG A 64 -15.987 -9.332 11.504 1.00 0.00 C ATOM 1059 CD ARG A 64 -15.612 -9.986 12.840 1.00 0.00 C ATOM 1060 NE ARG A 64 -16.790 -10.119 13.708 1.00 0.00 N ATOM 1061 CZ ARG A 64 -17.239 -9.189 14.566 1.00 0.00 C ATOM 1062 NH1 ARG A 64 -16.616 -8.012 14.704 1.00 0.00 N ATOM 1063 NH2 ARG A 64 -18.329 -9.450 15.294 1.00 0.00 N ATOM 0 H ARG A 64 -14.586 -6.400 10.265 1.00 0.00 H new ATOM 0 HA ARG A 64 -13.407 -8.435 12.041 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -15.139 -8.873 9.576 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -14.287 -10.132 10.448 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -16.429 -8.354 11.695 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -16.749 -9.935 11.010 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -15.176 -10.968 12.659 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -14.852 -9.388 13.342 1.00 0.00 H new ATOM 0 HE ARG A 64 -17.312 -10.994 13.654 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -15.783 -7.808 14.151 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -16.974 -7.319 15.362 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -18.807 -10.345 15.193 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -18.683 -8.754 15.950 1.00 0.00 H new ATOM 1077 N VAL A 65 -12.607 -7.353 9.022 1.00 0.00 N ATOM 1078 CA VAL A 65 -11.511 -7.275 8.069 1.00 0.00 C ATOM 1079 C VAL A 65 -10.801 -5.947 8.284 1.00 0.00 C ATOM 1080 O VAL A 65 -11.449 -4.911 8.420 1.00 0.00 O ATOM 1081 CB VAL A 65 -12.029 -7.390 6.622 1.00 0.00 C ATOM 1082 CG1 VAL A 65 -12.471 -8.821 6.308 1.00 0.00 C ATOM 1083 CG2 VAL A 65 -13.173 -6.426 6.270 1.00 0.00 C ATOM 0 H VAL A 65 -13.423 -6.798 8.763 1.00 0.00 H new ATOM 0 HA VAL A 65 -10.819 -8.102 8.227 1.00 0.00 H new ATOM 0 HB VAL A 65 -11.177 -7.105 6.005 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -12.832 -8.873 5.281 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -11.626 -9.498 6.431 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -13.271 -9.112 6.989 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -13.472 -6.579 5.233 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -14.024 -6.616 6.924 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -12.836 -5.398 6.403 1.00 0.00 H new ATOM 1093 N PHE A 66 -9.470 -5.969 8.362 1.00 0.00 N ATOM 1094 CA PHE A 66 -8.708 -4.747 8.517 1.00 0.00 C ATOM 1095 C PHE A 66 -8.270 -4.240 7.151 1.00 0.00 C ATOM 1096 O PHE A 66 -7.756 -5.003 6.324 1.00 0.00 O ATOM 1097 CB PHE A 66 -7.581 -4.884 9.537 1.00 0.00 C ATOM 1098 CG PHE A 66 -6.715 -6.121 9.430 1.00 0.00 C ATOM 1099 CD1 PHE A 66 -7.122 -7.309 10.067 1.00 0.00 C ATOM 1100 CD2 PHE A 66 -5.442 -6.051 8.837 1.00 0.00 C ATOM 1101 CE1 PHE A 66 -6.275 -8.429 10.083 1.00 0.00 C ATOM 1102 CE2 PHE A 66 -4.578 -7.159 8.889 1.00 0.00 C ATOM 1103 CZ PHE A 66 -4.999 -8.353 9.499 1.00 0.00 C ATOM 0 H PHE A 66 -8.907 -6.819 8.320 1.00 0.00 H new ATOM 0 HA PHE A 66 -9.349 -3.978 8.948 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -6.937 -4.009 9.452 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -8.020 -4.861 10.534 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -8.089 -7.359 10.545 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -5.127 -5.145 8.341 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -6.604 -9.349 10.544 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -3.589 -7.092 8.460 1.00 0.00 H new ATOM 0 HZ PHE A 66 -4.343 -9.211 9.519 1.00 0.00 H new ATOM 1113 N VAL A 67 -8.546 -2.953 6.928 1.00 0.00 N ATOM 1114 CA VAL A 67 -8.385 -2.214 5.712 1.00 0.00 C ATOM 1115 C VAL A 67 -7.263 -1.190 5.805 1.00 0.00 C ATOM 1116 O VAL A 67 -7.059 -0.593 6.864 1.00 0.00 O ATOM 1117 CB VAL A 67 -9.724 -1.580 5.308 1.00 0.00 C ATOM 1118 CG1 VAL A 67 -10.909 -2.544 5.468 1.00 0.00 C ATOM 1119 CG2 VAL A 67 -10.028 -0.258 6.021 1.00 0.00 C ATOM 0 H VAL A 67 -8.921 -2.365 7.673 1.00 0.00 H new ATOM 0 HA VAL A 67 -8.085 -2.906 4.925 1.00 0.00 H new ATOM 0 HB VAL A 67 -9.599 -1.354 4.249 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -11.829 -2.042 5.168 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -10.752 -3.421 4.840 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -10.988 -2.854 6.510 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -10.990 0.126 5.682 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -10.063 -0.425 7.098 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -9.247 0.467 5.792 1.00 0.00 H new ATOM 1129 N TYR A 68 -6.519 -1.026 4.708 1.00 0.00 N ATOM 1130 CA TYR A 68 -5.452 -0.040 4.643 1.00 0.00 C ATOM 1131 C TYR A 68 -6.000 1.222 3.987 1.00 0.00 C ATOM 1132 O TYR A 68 -6.463 1.183 2.847 1.00 0.00 O ATOM 1133 CB TYR A 68 -4.276 -0.581 3.828 1.00 0.00 C ATOM 1134 CG TYR A 68 -3.699 -1.840 4.426 1.00 0.00 C ATOM 1135 CD1 TYR A 68 -3.040 -1.772 5.668 1.00 0.00 C ATOM 1136 CD2 TYR A 68 -4.031 -3.087 3.872 1.00 0.00 C ATOM 1137 CE1 TYR A 68 -2.769 -2.949 6.384 1.00 0.00 C ATOM 1138 CE2 TYR A 68 -3.729 -4.259 4.578 1.00 0.00 C ATOM 1139 CZ TYR A 68 -3.157 -4.189 5.857 1.00 0.00 C ATOM 1140 OH TYR A 68 -3.056 -5.314 6.615 1.00 0.00 O ATOM 0 H TYR A 68 -6.641 -1.568 3.853 1.00 0.00 H new ATOM 0 HA TYR A 68 -5.097 0.183 5.649 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -4.605 -0.783 2.809 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -3.498 0.180 3.767 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -2.743 -0.815 6.070 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -4.516 -3.142 2.908 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -2.264 -2.899 7.337 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -3.938 -5.222 4.135 1.00 0.00 H new ATOM 0 HH TYR A 68 -3.816 -5.903 6.429 1.00 0.00 H new ATOM 1150 N THR A 69 -5.943 2.332 4.721 1.00 0.00 N ATOM 1151 CA THR A 69 -6.367 3.651 4.298 1.00 0.00 C ATOM 1152 C THR A 69 -5.099 4.414 3.903 1.00 0.00 C ATOM 1153 O THR A 69 -4.210 4.538 4.751 1.00 0.00 O ATOM 1154 CB THR A 69 -7.050 4.349 5.485 1.00 0.00 C ATOM 1155 OG1 THR A 69 -6.198 4.318 6.612 1.00 0.00 O ATOM 1156 CG2 THR A 69 -8.361 3.664 5.880 1.00 0.00 C ATOM 0 H THR A 69 -5.580 2.327 5.674 1.00 0.00 H new ATOM 0 HA THR A 69 -7.067 3.608 3.463 1.00 0.00 H new ATOM 0 HB THR A 69 -7.261 5.371 5.171 1.00 0.00 H new ATOM 0 HG1 THR A 69 -5.264 4.366 6.318 1.00 0.00 H new ATOM 0 HG21 THR A 69 -8.808 4.192 6.723 1.00 0.00 H new ATOM 0 HG22 THR A 69 -9.049 3.681 5.035 1.00 0.00 H new ATOM 0 HG23 THR A 69 -8.161 2.631 6.164 1.00 0.00 H new ATOM 1164 N PRO A 70 -4.960 4.903 2.664 1.00 0.00 N ATOM 1165 CA PRO A 70 -3.781 5.652 2.266 1.00 0.00 C ATOM 1166 C PRO A 70 -3.759 7.012 2.977 1.00 0.00 C ATOM 1167 O PRO A 70 -4.817 7.551 3.299 1.00 0.00 O ATOM 1168 CB PRO A 70 -3.863 5.762 0.741 1.00 0.00 C ATOM 1169 CG PRO A 70 -5.368 5.724 0.485 1.00 0.00 C ATOM 1170 CD PRO A 70 -5.909 4.797 1.571 1.00 0.00 C ATOM 0 HA PRO A 70 -2.847 5.167 2.550 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -3.413 6.685 0.376 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -3.347 4.939 0.247 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -5.809 6.718 0.554 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -5.593 5.344 -0.512 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -6.908 5.099 1.885 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -5.984 3.771 1.212 1.00 0.00 H new ATOM 1178 N ASN A 71 -2.570 7.571 3.238 1.00 0.00 N ATOM 1179 CA ASN A 71 -2.413 8.851 3.910 1.00 0.00 C ATOM 1180 C ASN A 71 -1.047 9.429 3.614 1.00 0.00 C ATOM 1181 O ASN A 71 -0.013 8.840 3.903 1.00 0.00 O ATOM 1182 CB ASN A 71 -2.687 8.747 5.399 1.00 0.00 C ATOM 1183 CG ASN A 71 -1.912 9.728 6.286 1.00 0.00 C ATOM 1184 OD1 ASN A 71 -2.488 10.686 6.789 1.00 0.00 O ATOM 1185 ND2 ASN A 71 -0.619 9.508 6.517 1.00 0.00 N ATOM 0 H ASN A 71 -1.684 7.135 2.982 1.00 0.00 H new ATOM 0 HA ASN A 71 -3.160 9.540 3.517 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -3.753 8.899 5.565 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -2.456 7.732 5.723 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -0.094 10.141 7.120 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -0.154 8.706 6.091 1.00 0.00 H new ATOM 1192 N ILE A 72 -1.096 10.577 2.965 1.00 0.00 N ATOM 1193 CA ILE A 72 0.048 11.319 2.489 1.00 0.00 C ATOM 1194 C ILE A 72 -0.251 12.810 2.362 1.00 0.00 C ATOM 1195 O ILE A 72 -1.413 13.207 2.317 1.00 0.00 O ATOM 1196 CB ILE A 72 0.518 10.763 1.136 1.00 0.00 C ATOM 1197 CG1 ILE A 72 -0.216 9.512 0.605 1.00 0.00 C ATOM 1198 CG2 ILE A 72 2.020 10.507 1.265 1.00 0.00 C ATOM 1199 CD1 ILE A 72 -1.727 9.677 0.366 1.00 0.00 C ATOM 0 H ILE A 72 -1.980 11.037 2.747 1.00 0.00 H new ATOM 0 HA ILE A 72 0.842 11.201 3.227 1.00 0.00 H new ATOM 0 HB ILE A 72 0.274 11.511 0.381 1.00 0.00 H new ATOM 0 HG12 ILE A 72 0.251 9.210 -0.333 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -0.066 8.697 1.313 1.00 0.00 H new ATOM 0 HG21 ILE A 72 2.403 10.109 0.325 1.00 0.00 H new ATOM 0 HG22 ILE A 72 2.530 11.442 1.498 1.00 0.00 H new ATOM 0 HG23 ILE A 72 2.199 9.787 2.063 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.141 8.740 -0.006 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -2.217 9.944 1.303 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.895 10.465 -0.368 1.00 0.00 H new ATOM 1211 N ASP A 73 0.809 13.622 2.288 1.00 0.00 N ATOM 1212 CA ASP A 73 0.759 15.053 2.065 1.00 0.00 C ATOM 1213 C ASP A 73 2.100 15.500 1.472 1.00 0.00 C ATOM 1214 O ASP A 73 3.073 14.746 1.519 1.00 0.00 O ATOM 1215 CB ASP A 73 0.483 15.753 3.399 1.00 0.00 C ATOM 1216 CG ASP A 73 0.118 17.229 3.254 1.00 0.00 C ATOM 1217 OD1 ASP A 73 -0.206 17.637 2.116 1.00 0.00 O ATOM 1218 OD2 ASP A 73 0.182 17.927 4.288 1.00 0.00 O ATOM 0 H ASP A 73 1.763 13.275 2.388 1.00 0.00 H new ATOM 0 HA ASP A 73 -0.037 15.314 1.368 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -0.329 15.235 3.910 1.00 0.00 H new ATOM 0 HB3 ASP A 73 1.365 15.667 4.034 1.00 0.00 H new ATOM 1223 N GLU A 74 2.139 16.721 0.932 1.00 0.00 N ATOM 1224 CA GLU A 74 3.304 17.413 0.391 1.00 0.00 C ATOM 1225 C GLU A 74 4.064 16.703 -0.740 1.00 0.00 C ATOM 1226 O GLU A 74 4.047 17.187 -1.871 1.00 0.00 O ATOM 1227 CB GLU A 74 4.259 17.809 1.531 1.00 0.00 C ATOM 1228 CG GLU A 74 3.579 18.660 2.613 1.00 0.00 C ATOM 1229 CD GLU A 74 3.010 19.958 2.050 1.00 0.00 C ATOM 1230 OE1 GLU A 74 3.821 20.883 1.830 1.00 0.00 O ATOM 1231 OE2 GLU A 74 1.782 19.990 1.821 1.00 0.00 O ATOM 0 H GLU A 74 1.295 17.289 0.858 1.00 0.00 H new ATOM 0 HA GLU A 74 2.892 18.296 -0.097 1.00 0.00 H new ATOM 0 HB2 GLU A 74 4.665 16.906 1.988 1.00 0.00 H new ATOM 0 HB3 GLU A 74 5.101 18.363 1.116 1.00 0.00 H new ATOM 0 HG2 GLU A 74 2.777 18.084 3.076 1.00 0.00 H new ATOM 0 HG3 GLU A 74 4.299 18.891 3.398 1.00 0.00 H new ATOM 1238 N SER A 75 4.778 15.619 -0.433 1.00 0.00 N ATOM 1239 CA SER A 75 5.669 14.867 -1.303 1.00 0.00 C ATOM 1240 C SER A 75 5.387 14.948 -2.810 1.00 0.00 C ATOM 1241 O SER A 75 5.880 15.864 -3.471 1.00 0.00 O ATOM 1242 CB SER A 75 5.719 13.437 -0.764 1.00 0.00 C ATOM 1243 OG SER A 75 6.337 13.445 0.509 1.00 0.00 O ATOM 0 H SER A 75 4.742 15.217 0.504 1.00 0.00 H new ATOM 0 HA SER A 75 6.651 15.337 -1.263 1.00 0.00 H new ATOM 0 HB2 SER A 75 4.712 13.027 -0.691 1.00 0.00 H new ATOM 0 HB3 SER A 75 6.275 12.796 -1.448 1.00 0.00 H new ATOM 0 HG SER A 75 6.706 12.557 0.699 1.00 0.00 H new ATOM 1249 N ASP A 76 4.594 14.012 -3.329 1.00 0.00 N ATOM 1250 CA ASP A 76 4.286 13.697 -4.721 1.00 0.00 C ATOM 1251 C ASP A 76 5.050 12.404 -5.022 1.00 0.00 C ATOM 1252 O ASP A 76 6.092 12.147 -4.414 1.00 0.00 O ATOM 1253 CB ASP A 76 4.617 14.818 -5.716 1.00 0.00 C ATOM 1254 CG ASP A 76 4.118 14.548 -7.132 1.00 0.00 C ATOM 1255 OD1 ASP A 76 3.334 13.590 -7.311 1.00 0.00 O ATOM 1256 OD2 ASP A 76 4.510 15.341 -8.014 1.00 0.00 O ATOM 0 H ASP A 76 4.092 13.380 -2.706 1.00 0.00 H new ATOM 0 HA ASP A 76 3.210 13.579 -4.847 1.00 0.00 H new ATOM 0 HB2 ASP A 76 4.180 15.750 -5.358 1.00 0.00 H new ATOM 0 HB3 ASP A 76 5.697 14.961 -5.742 1.00 0.00 H new ATOM 1261 N TYR A 77 4.543 11.572 -5.934 1.00 0.00 N ATOM 1262 CA TYR A 77 5.164 10.287 -6.185 1.00 0.00 C ATOM 1263 C TYR A 77 6.446 10.411 -7.012 1.00 0.00 C ATOM 1264 O TYR A 77 6.454 10.245 -8.230 1.00 0.00 O ATOM 1265 CB TYR A 77 4.165 9.219 -6.682 1.00 0.00 C ATOM 1266 CG TYR A 77 4.834 8.017 -7.317 1.00 0.00 C ATOM 1267 CD1 TYR A 77 5.938 7.444 -6.667 1.00 0.00 C ATOM 1268 CD2 TYR A 77 4.530 7.635 -8.636 1.00 0.00 C ATOM 1269 CE1 TYR A 77 6.696 6.448 -7.293 1.00 0.00 C ATOM 1270 CE2 TYR A 77 5.316 6.664 -9.280 1.00 0.00 C ATOM 1271 CZ TYR A 77 6.400 6.074 -8.610 1.00 0.00 C ATOM 1272 OH TYR A 77 7.125 5.092 -9.212 1.00 0.00 O ATOM 0 H TYR A 77 3.717 11.768 -6.499 1.00 0.00 H new ATOM 0 HA TYR A 77 5.497 9.901 -5.222 1.00 0.00 H new ATOM 0 HB2 TYR A 77 3.555 8.885 -5.843 1.00 0.00 H new ATOM 0 HB3 TYR A 77 3.489 9.674 -7.406 1.00 0.00 H new ATOM 0 HD1 TYR A 77 6.205 7.775 -5.674 1.00 0.00 H new ATOM 0 HD2 TYR A 77 3.696 8.086 -9.152 1.00 0.00 H new ATOM 0 HE1 TYR A 77 7.506 5.970 -6.763 1.00 0.00 H new ATOM 0 HE2 TYR A 77 5.086 6.371 -10.294 1.00 0.00 H new ATOM 0 HH TYR A 77 7.440 4.457 -8.536 1.00 0.00 H new ATOM 1282 N ILE A 78 7.546 10.679 -6.308 1.00 0.00 N ATOM 1283 CA ILE A 78 8.888 10.610 -6.866 1.00 0.00 C ATOM 1284 C ILE A 78 9.311 9.134 -6.806 1.00 0.00 C ATOM 1285 O ILE A 78 9.039 8.455 -5.812 1.00 0.00 O ATOM 1286 CB ILE A 78 9.846 11.508 -6.062 1.00 0.00 C ATOM 1287 CG1 ILE A 78 9.350 12.961 -5.950 1.00 0.00 C ATOM 1288 CG2 ILE A 78 11.257 11.477 -6.664 1.00 0.00 C ATOM 1289 CD1 ILE A 78 9.305 13.705 -7.288 1.00 0.00 C ATOM 0 H ILE A 78 7.526 10.952 -5.325 1.00 0.00 H new ATOM 0 HA ILE A 78 8.915 10.969 -7.895 1.00 0.00 H new ATOM 0 HB ILE A 78 9.876 11.099 -5.052 1.00 0.00 H new ATOM 0 HG12 ILE A 78 8.352 12.961 -5.511 1.00 0.00 H new ATOM 0 HG13 ILE A 78 10.000 13.505 -5.264 1.00 0.00 H new ATOM 0 HG21 ILE A 78 11.916 12.119 -6.079 1.00 0.00 H new ATOM 0 HG22 ILE A 78 11.637 10.456 -6.648 1.00 0.00 H new ATOM 0 HG23 ILE A 78 11.221 11.835 -7.693 1.00 0.00 H new ATOM 0 HD11 ILE A 78 8.946 14.721 -7.127 1.00 0.00 H new ATOM 0 HD12 ILE A 78 10.305 13.738 -7.720 1.00 0.00 H new ATOM 0 HD13 ILE A 78 8.632 13.186 -7.970 1.00 0.00 H new ATOM 1301 N GLU A 79 9.956 8.625 -7.861 1.00 0.00 N ATOM 1302 CA GLU A 79 10.409 7.241 -7.912 1.00 0.00 C ATOM 1303 C GLU A 79 11.739 7.120 -7.161 1.00 0.00 C ATOM 1304 O GLU A 79 12.784 7.463 -7.711 1.00 0.00 O ATOM 1305 CB GLU A 79 10.529 6.785 -9.378 1.00 0.00 C ATOM 1306 CG GLU A 79 10.559 5.258 -9.558 1.00 0.00 C ATOM 1307 CD GLU A 79 11.723 4.557 -8.864 1.00 0.00 C ATOM 1308 OE1 GLU A 79 12.862 4.734 -9.346 1.00 0.00 O ATOM 1309 OE2 GLU A 79 11.449 3.844 -7.873 1.00 0.00 O ATOM 0 H GLU A 79 10.176 9.164 -8.699 1.00 0.00 H new ATOM 0 HA GLU A 79 9.686 6.586 -7.426 1.00 0.00 H new ATOM 0 HB2 GLU A 79 9.690 7.191 -9.944 1.00 0.00 H new ATOM 0 HB3 GLU A 79 11.437 7.209 -9.806 1.00 0.00 H new ATOM 0 HG2 GLU A 79 9.625 4.843 -9.180 1.00 0.00 H new ATOM 0 HG3 GLU A 79 10.600 5.032 -10.624 1.00 0.00 H new ATOM 1316 N VAL A 80 11.701 6.664 -5.909 1.00 0.00 N ATOM 1317 CA VAL A 80 12.882 6.369 -5.109 1.00 0.00 C ATOM 1318 C VAL A 80 12.883 4.867 -4.814 1.00 0.00 C ATOM 1319 O VAL A 80 12.084 4.395 -4.008 1.00 0.00 O ATOM 1320 CB VAL A 80 12.939 7.265 -3.856 1.00 0.00 C ATOM 1321 CG1 VAL A 80 11.657 7.259 -3.014 1.00 0.00 C ATOM 1322 CG2 VAL A 80 14.141 6.905 -2.974 1.00 0.00 C ATOM 0 H VAL A 80 10.827 6.487 -5.415 1.00 0.00 H new ATOM 0 HA VAL A 80 13.799 6.603 -5.650 1.00 0.00 H new ATOM 0 HB VAL A 80 13.049 8.279 -4.241 1.00 0.00 H new ATOM 0 HG11 VAL A 80 11.784 7.915 -2.153 1.00 0.00 H new ATOM 0 HG12 VAL A 80 10.822 7.612 -3.619 1.00 0.00 H new ATOM 0 HG13 VAL A 80 11.452 6.245 -2.670 1.00 0.00 H new ATOM 0 HG21 VAL A 80 14.156 7.553 -2.098 1.00 0.00 H new ATOM 0 HG22 VAL A 80 14.060 5.866 -2.656 1.00 0.00 H new ATOM 0 HG23 VAL A 80 15.062 7.040 -3.541 1.00 0.00 H new ATOM 1332 N LYS A 81 13.775 4.104 -5.452 1.00 0.00 N ATOM 1333 CA LYS A 81 13.854 2.672 -5.203 1.00 0.00 C ATOM 1334 C LYS A 81 14.288 2.442 -3.754 1.00 0.00 C ATOM 1335 O LYS A 81 15.283 3.017 -3.312 1.00 0.00 O ATOM 1336 CB LYS A 81 14.810 1.991 -6.189 1.00 0.00 C ATOM 1337 CG LYS A 81 14.294 2.121 -7.628 1.00 0.00 C ATOM 1338 CD LYS A 81 15.109 1.294 -8.631 1.00 0.00 C ATOM 1339 CE LYS A 81 14.880 -0.214 -8.458 1.00 0.00 C ATOM 1340 NZ LYS A 81 15.529 -0.980 -9.535 1.00 0.00 N ATOM 0 H LYS A 81 14.444 4.455 -6.137 1.00 0.00 H new ATOM 0 HA LYS A 81 12.872 2.224 -5.356 1.00 0.00 H new ATOM 0 HB2 LYS A 81 15.800 2.440 -6.111 1.00 0.00 H new ATOM 0 HB3 LYS A 81 14.917 0.938 -5.930 1.00 0.00 H new ATOM 0 HG2 LYS A 81 13.252 1.804 -7.665 1.00 0.00 H new ATOM 0 HG3 LYS A 81 14.319 3.170 -7.924 1.00 0.00 H new ATOM 0 HD2 LYS A 81 14.839 1.587 -9.646 1.00 0.00 H new ATOM 0 HD3 LYS A 81 16.169 1.516 -8.506 1.00 0.00 H new ATOM 0 HE2 LYS A 81 15.272 -0.535 -7.493 1.00 0.00 H new ATOM 0 HE3 LYS A 81 13.810 -0.424 -8.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 15.357 -1.995 -9.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 15.137 -0.689 -10.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 16.553 -0.797 -9.523 1.00 0.00 H new ATOM 1354 N SER A 82 13.530 1.640 -3.008 1.00 0.00 N ATOM 1355 CA SER A 82 13.771 1.302 -1.616 1.00 0.00 C ATOM 1356 C SER A 82 12.940 0.067 -1.275 1.00 0.00 C ATOM 1357 O SER A 82 13.238 -0.545 -0.231 1.00 0.00 O ATOM 1358 CB SER A 82 13.368 2.462 -0.697 1.00 0.00 C ATOM 1359 OG SER A 82 14.262 3.556 -0.805 1.00 0.00 O ATOM 1360 OXT SER A 82 11.994 -0.243 -2.038 1.00 0.00 O ATOM 0 H SER A 82 12.694 1.190 -3.380 1.00 0.00 H new ATOM 0 HA SER A 82 14.833 1.105 -1.468 1.00 0.00 H new ATOM 0 HB2 SER A 82 12.360 2.791 -0.948 1.00 0.00 H new ATOM 0 HB3 SER A 82 13.342 2.115 0.336 1.00 0.00 H new ATOM 0 HG SER A 82 14.816 3.448 -1.606 1.00 0.00 H new TER 1366 SER A 82