USER MOD reduce.3.24.130724 H: found=0, std=0, add=698, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 696 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 61 TYR OH : rot -154:sc= 1.22 USER MOD Set 1.2: A 65 MET CE :methyl 168:sc= 0 (180deg=-0.0344) USER MOD Set 2.1: A 58 LYS NZ :NH3+ 172:sc= 1.21 (180deg=0) USER MOD Set 2.2: A 62 GLN : amide:sc= 0.927 K(o=2.1,f=-5!) USER MOD Set 3.1: A 35 THR OG1 : rot -89:sc= 1.25 USER MOD Set 3.2: A 36 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 11 GLN : amide:sc= -0.0392 K(o=1.1,f=1.6) USER MOD Set 4.2: A 15 ASN : amide:sc= 1.14 K(o=1.1,f=1.6) USER MOD Set 5.1: A 2 SER OG : rot 180:sc= 0 USER MOD Set 5.2: A 6 THR OG1 : rot 95:sc= 1.27 USER MOD Single : A 1 MET CE :methyl -173:sc= 0 (180deg=-0.0844) USER MOD Single : A 1 MET N :NH3+ -179:sc= 0 (180deg=-0.00341) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 MET CE :methyl 173:sc= 0 (180deg=-0.0358) USER MOD Single : A 10 HIS : no HD1:sc= -0.503 X(o=-0.5,f=-0.54) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 THR OG1 : rot 79:sc= 1.2 USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=-0.057) USER MOD Single : A 28 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0686) USER MOD Single : A 30 ASN : amide:sc= -0.0835 X(o=-0.083,f=-0.083) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl 174:sc= -0.469 (180deg=-0.611) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 176:sc= -0.119 (180deg=-0.183) USER MOD Single : A 55 SER OG : rot -171:sc= 0.374 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 1.22 (180deg=1.22) USER MOD Single : A 64 THR OG1 : rot 74:sc= 1.3 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 78:sc= 1.25 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 74:sc= 1.23 USER MOD Single : A 75 THR OG1 : rot 77:sc= 1.29 USER MOD Single : A 78 LYS NZ :NH3+ -143:sc= 1.23 (180deg=0.621) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 100:sc= 1.23 USER MOD Single : A 86 SER OG : rot 76:sc= 1.25 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 20.441 6.394 23.376 1.00 0.00 N ATOM 2 CA MET A 1 19.183 6.747 24.072 1.00 0.00 C ATOM 3 C MET A 1 17.972 6.691 23.131 1.00 0.00 C ATOM 4 O MET A 1 16.877 6.370 23.591 1.00 0.00 O ATOM 5 CB MET A 1 19.290 8.112 24.773 1.00 0.00 C ATOM 6 CG MET A 1 18.203 8.323 25.838 1.00 0.00 C ATOM 7 SD MET A 1 18.134 9.998 26.543 1.00 0.00 S ATOM 8 CE MET A 1 19.769 10.114 27.316 1.00 0.00 C ATOM 0 H1 MET A 1 21.232 6.427 24.050 1.00 0.00 H new ATOM 0 H2 MET A 1 20.362 5.435 22.982 1.00 0.00 H new ATOM 0 H3 MET A 1 20.614 7.072 22.606 1.00 0.00 H new ATOM 0 HA MET A 1 19.023 5.994 24.844 1.00 0.00 H new ATOM 0 HB2 MET A 1 20.271 8.199 25.240 1.00 0.00 H new ATOM 0 HB3 MET A 1 19.220 8.904 24.028 1.00 0.00 H new ATOM 0 HG2 MET A 1 17.234 8.090 25.397 1.00 0.00 H new ATOM 0 HG3 MET A 1 18.365 7.611 26.647 1.00 0.00 H new ATOM 0 HE1 MET A 1 19.833 11.035 27.896 1.00 0.00 H new ATOM 0 HE2 MET A 1 19.922 9.259 27.975 1.00 0.00 H new ATOM 0 HE3 MET A 1 20.537 10.118 26.543 1.00 0.00 H new ATOM 20 N SER A 2 18.119 7.013 21.839 1.00 0.00 N ATOM 21 CA SER A 2 17.009 7.181 20.884 1.00 0.00 C ATOM 22 C SER A 2 16.930 6.126 19.762 1.00 0.00 C ATOM 23 O SER A 2 16.320 6.386 18.721 1.00 0.00 O ATOM 24 CB SER A 2 16.995 8.626 20.360 1.00 0.00 C ATOM 25 OG SER A 2 18.190 8.983 19.685 1.00 0.00 O ATOM 0 H SER A 2 19.034 7.168 21.416 1.00 0.00 H new ATOM 0 HA SER A 2 16.091 6.993 21.441 1.00 0.00 H new ATOM 0 HB2 SER A 2 16.150 8.753 19.683 1.00 0.00 H new ATOM 0 HB3 SER A 2 16.839 9.308 21.196 1.00 0.00 H new ATOM 0 HG SER A 2 18.125 9.910 19.373 1.00 0.00 H new ATOM 31 N SER A 3 17.481 4.918 19.937 1.00 0.00 N ATOM 32 CA SER A 3 17.461 3.841 18.918 1.00 0.00 C ATOM 33 C SER A 3 16.071 3.537 18.327 1.00 0.00 C ATOM 34 O SER A 3 15.963 3.344 17.111 1.00 0.00 O ATOM 35 CB SER A 3 17.982 2.536 19.526 1.00 0.00 C ATOM 36 OG SER A 3 19.349 2.635 19.877 1.00 0.00 O ATOM 0 H SER A 3 17.960 4.650 20.797 1.00 0.00 H new ATOM 0 HA SER A 3 18.092 4.213 18.111 1.00 0.00 H new ATOM 0 HB2 SER A 3 17.396 2.286 20.410 1.00 0.00 H new ATOM 0 HB3 SER A 3 17.847 1.722 18.814 1.00 0.00 H new ATOM 0 HG SER A 3 19.650 1.786 20.264 1.00 0.00 H new ATOM 42 N LYS A 4 15.000 3.553 19.140 1.00 0.00 N ATOM 43 CA LYS A 4 13.608 3.318 18.686 1.00 0.00 C ATOM 44 C LYS A 4 13.051 4.426 17.782 1.00 0.00 C ATOM 45 O LYS A 4 12.148 4.193 16.978 1.00 0.00 O ATOM 46 CB LYS A 4 12.683 3.070 19.894 1.00 0.00 C ATOM 47 CG LYS A 4 12.369 4.356 20.643 1.00 0.00 C ATOM 48 CD LYS A 4 11.642 4.091 21.955 1.00 0.00 C ATOM 49 CE LYS A 4 12.498 3.407 23.025 1.00 0.00 C ATOM 50 NZ LYS A 4 11.817 3.457 24.339 1.00 0.00 N ATOM 0 H LYS A 4 15.072 3.731 20.142 1.00 0.00 H new ATOM 0 HA LYS A 4 13.638 2.424 18.064 1.00 0.00 H new ATOM 0 HB2 LYS A 4 11.754 2.613 19.552 1.00 0.00 H new ATOM 0 HB3 LYS A 4 13.156 2.361 20.573 1.00 0.00 H new ATOM 0 HG2 LYS A 4 13.296 4.893 20.844 1.00 0.00 H new ATOM 0 HG3 LYS A 4 11.757 5.002 20.013 1.00 0.00 H new ATOM 0 HD2 LYS A 4 11.275 5.038 22.351 1.00 0.00 H new ATOM 0 HD3 LYS A 4 10.769 3.470 21.754 1.00 0.00 H new ATOM 0 HE2 LYS A 4 12.684 2.370 22.744 1.00 0.00 H new ATOM 0 HE3 LYS A 4 13.469 3.898 23.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 12.409 2.989 25.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 11.662 4.448 24.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 10.901 2.968 24.274 1.00 0.00 H new ATOM 64 N GLU A 5 13.580 5.637 17.939 1.00 0.00 N ATOM 65 CA GLU A 5 13.212 6.862 17.214 1.00 0.00 C ATOM 66 C GLU A 5 14.074 7.085 15.962 1.00 0.00 C ATOM 67 O GLU A 5 13.718 7.888 15.099 1.00 0.00 O ATOM 68 CB GLU A 5 13.336 8.047 18.186 1.00 0.00 C ATOM 69 CG GLU A 5 12.163 8.134 19.167 1.00 0.00 C ATOM 70 CD GLU A 5 11.107 9.146 18.722 1.00 0.00 C ATOM 71 OE1 GLU A 5 10.613 9.065 17.574 1.00 0.00 O ATOM 72 OE2 GLU A 5 10.809 10.071 19.521 1.00 0.00 O ATOM 0 H GLU A 5 14.324 5.805 18.617 1.00 0.00 H new ATOM 0 HA GLU A 5 12.186 6.767 16.857 1.00 0.00 H new ATOM 0 HB2 GLU A 5 14.267 7.956 18.746 1.00 0.00 H new ATOM 0 HB3 GLU A 5 13.397 8.974 17.616 1.00 0.00 H new ATOM 0 HG2 GLU A 5 11.702 7.151 19.266 1.00 0.00 H new ATOM 0 HG3 GLU A 5 12.537 8.412 20.153 1.00 0.00 H new ATOM 79 N THR A 6 15.190 6.357 15.845 1.00 0.00 N ATOM 80 CA THR A 6 16.276 6.567 14.865 1.00 0.00 C ATOM 81 C THR A 6 16.253 5.486 13.768 1.00 0.00 C ATOM 82 O THR A 6 17.275 5.129 13.183 1.00 0.00 O ATOM 83 CB THR A 6 17.635 6.701 15.595 1.00 0.00 C ATOM 84 OG1 THR A 6 17.504 7.618 16.662 1.00 0.00 O ATOM 85 CG2 THR A 6 18.769 7.291 14.759 1.00 0.00 C ATOM 0 H THR A 6 15.375 5.564 16.459 1.00 0.00 H new ATOM 0 HA THR A 6 16.117 7.509 14.340 1.00 0.00 H new ATOM 0 HB THR A 6 17.881 5.678 15.879 1.00 0.00 H new ATOM 0 HG1 THR A 6 17.313 7.131 17.490 1.00 0.00 H new ATOM 0 HG21 THR A 6 19.676 7.342 15.361 1.00 0.00 H new ATOM 0 HG22 THR A 6 18.946 6.659 13.889 1.00 0.00 H new ATOM 0 HG23 THR A 6 18.495 8.293 14.430 1.00 0.00 H new ATOM 93 N ILE A 7 15.075 4.904 13.524 1.00 0.00 N ATOM 94 CA ILE A 7 14.809 3.783 12.632 1.00 0.00 C ATOM 95 C ILE A 7 15.292 4.076 11.193 1.00 0.00 C ATOM 96 O ILE A 7 14.982 5.142 10.655 1.00 0.00 O ATOM 97 CB ILE A 7 13.297 3.473 12.794 1.00 0.00 C ATOM 98 CG1 ILE A 7 12.964 2.010 12.486 1.00 0.00 C ATOM 99 CG2 ILE A 7 12.353 4.468 12.096 1.00 0.00 C ATOM 100 CD1 ILE A 7 12.869 1.656 11.004 1.00 0.00 C ATOM 0 H ILE A 7 14.224 5.232 13.980 1.00 0.00 H new ATOM 0 HA ILE A 7 15.375 2.887 12.885 1.00 0.00 H new ATOM 0 HB ILE A 7 13.097 3.625 13.855 1.00 0.00 H new ATOM 0 HG12 ILE A 7 13.725 1.378 12.945 1.00 0.00 H new ATOM 0 HG13 ILE A 7 12.015 1.763 12.962 1.00 0.00 H new ATOM 0 HG21 ILE A 7 11.319 4.168 12.266 1.00 0.00 H new ATOM 0 HG22 ILE A 7 12.513 5.467 12.502 1.00 0.00 H new ATOM 0 HG23 ILE A 7 12.558 4.474 11.025 1.00 0.00 H new ATOM 0 HD11 ILE A 7 12.629 0.598 10.897 1.00 0.00 H new ATOM 0 HD12 ILE A 7 12.087 2.254 10.536 1.00 0.00 H new ATOM 0 HD13 ILE A 7 13.823 1.863 10.519 1.00 0.00 H new ATOM 112 N PRO A 8 16.053 3.165 10.552 1.00 0.00 N ATOM 113 CA PRO A 8 16.575 3.364 9.203 1.00 0.00 C ATOM 114 C PRO A 8 15.500 3.717 8.172 1.00 0.00 C ATOM 115 O PRO A 8 14.491 3.018 8.033 1.00 0.00 O ATOM 116 CB PRO A 8 17.282 2.069 8.828 1.00 0.00 C ATOM 117 CG PRO A 8 17.703 1.488 10.174 1.00 0.00 C ATOM 118 CD PRO A 8 16.584 1.927 11.106 1.00 0.00 C ATOM 0 HA PRO A 8 17.249 4.220 9.198 1.00 0.00 H new ATOM 0 HB2 PRO A 8 16.619 1.392 8.289 1.00 0.00 H new ATOM 0 HB3 PRO A 8 18.142 2.254 8.184 1.00 0.00 H new ATOM 0 HG2 PRO A 8 17.792 0.402 10.134 1.00 0.00 H new ATOM 0 HG3 PRO A 8 18.670 1.875 10.495 1.00 0.00 H new ATOM 0 HD2 PRO A 8 15.808 1.164 11.168 1.00 0.00 H new ATOM 0 HD3 PRO A 8 16.959 2.083 12.117 1.00 0.00 H new ATOM 126 N MET A 9 15.747 4.759 7.378 1.00 0.00 N ATOM 127 CA MET A 9 14.824 5.154 6.306 1.00 0.00 C ATOM 128 C MET A 9 14.746 4.097 5.190 1.00 0.00 C ATOM 129 O MET A 9 13.680 3.916 4.603 1.00 0.00 O ATOM 130 CB MET A 9 15.147 6.569 5.805 1.00 0.00 C ATOM 131 CG MET A 9 16.550 6.725 5.206 1.00 0.00 C ATOM 132 SD MET A 9 17.032 8.434 4.847 1.00 0.00 S ATOM 133 CE MET A 9 17.374 9.043 6.521 1.00 0.00 C ATOM 0 H MET A 9 16.577 5.347 7.454 1.00 0.00 H new ATOM 0 HA MET A 9 13.816 5.198 6.717 1.00 0.00 H new ATOM 0 HB2 MET A 9 14.411 6.852 5.053 1.00 0.00 H new ATOM 0 HB3 MET A 9 15.040 7.268 6.634 1.00 0.00 H new ATOM 0 HG2 MET A 9 17.275 6.294 5.896 1.00 0.00 H new ATOM 0 HG3 MET A 9 16.604 6.145 4.285 1.00 0.00 H new ATOM 0 HE1 MET A 9 17.802 10.044 6.464 1.00 0.00 H new ATOM 0 HE2 MET A 9 16.446 9.077 7.092 1.00 0.00 H new ATOM 0 HE3 MET A 9 18.079 8.374 7.014 1.00 0.00 H new ATOM 143 N HIS A 10 15.808 3.302 4.985 1.00 0.00 N ATOM 144 CA HIS A 10 15.760 2.126 4.107 1.00 0.00 C ATOM 145 C HIS A 10 14.776 1.057 4.622 1.00 0.00 C ATOM 146 O HIS A 10 13.997 0.511 3.840 1.00 0.00 O ATOM 147 CB HIS A 10 17.174 1.558 3.877 1.00 0.00 C ATOM 148 CG HIS A 10 17.782 0.777 5.015 1.00 0.00 C ATOM 149 ND1 HIS A 10 17.506 -0.535 5.334 1.00 0.00 N ATOM 150 CD2 HIS A 10 18.787 1.188 5.847 1.00 0.00 C ATOM 151 CE1 HIS A 10 18.294 -0.893 6.356 1.00 0.00 C ATOM 152 NE2 HIS A 10 19.090 0.129 6.711 1.00 0.00 N ATOM 0 H HIS A 10 16.717 3.456 5.421 1.00 0.00 H new ATOM 0 HA HIS A 10 15.375 2.449 3.140 1.00 0.00 H new ATOM 0 HB2 HIS A 10 17.143 0.913 2.999 1.00 0.00 H new ATOM 0 HB3 HIS A 10 17.840 2.388 3.639 1.00 0.00 H new ATOM 0 HD2 HIS A 10 19.262 2.158 5.839 1.00 0.00 H new ATOM 0 HE1 HIS A 10 18.290 -1.865 6.827 1.00 0.00 H new ATOM 0 HE2 HIS A 10 19.780 0.133 7.462 1.00 0.00 H new ATOM 160 N GLN A 11 14.733 0.806 5.939 1.00 0.00 N ATOM 161 CA GLN A 11 13.799 -0.150 6.540 1.00 0.00 C ATOM 162 C GLN A 11 12.350 0.346 6.432 1.00 0.00 C ATOM 163 O GLN A 11 11.467 -0.447 6.099 1.00 0.00 O ATOM 164 CB GLN A 11 14.193 -0.412 8.002 1.00 0.00 C ATOM 165 CG GLN A 11 13.374 -1.519 8.687 1.00 0.00 C ATOM 166 CD GLN A 11 13.478 -2.898 8.032 1.00 0.00 C ATOM 167 OE1 GLN A 11 12.490 -3.503 7.640 1.00 0.00 O ATOM 168 NE2 GLN A 11 14.653 -3.461 7.894 1.00 0.00 N ATOM 0 H GLN A 11 15.346 1.262 6.615 1.00 0.00 H new ATOM 0 HA GLN A 11 13.857 -1.089 5.990 1.00 0.00 H new ATOM 0 HB2 GLN A 11 15.249 -0.681 8.039 1.00 0.00 H new ATOM 0 HB3 GLN A 11 14.079 0.512 8.569 1.00 0.00 H new ATOM 0 HG2 GLN A 11 13.698 -1.601 9.725 1.00 0.00 H new ATOM 0 HG3 GLN A 11 12.326 -1.219 8.703 1.00 0.00 H new ATOM 0 HE21 GLN A 11 15.492 -2.976 8.213 1.00 0.00 H new ATOM 0 HE22 GLN A 11 14.729 -4.384 7.467 1.00 0.00 H new ATOM 177 N ARG A 12 12.092 1.650 6.635 1.00 0.00 N ATOM 178 CA ARG A 12 10.754 2.223 6.379 1.00 0.00 C ATOM 179 C ARG A 12 10.353 2.013 4.923 1.00 0.00 C ATOM 180 O ARG A 12 9.318 1.405 4.666 1.00 0.00 O ATOM 181 CB ARG A 12 10.647 3.714 6.756 1.00 0.00 C ATOM 182 CG ARG A 12 10.994 3.993 8.227 1.00 0.00 C ATOM 183 CD ARG A 12 10.351 5.242 8.866 1.00 0.00 C ATOM 184 NE ARG A 12 9.903 6.281 7.918 1.00 0.00 N ATOM 185 CZ ARG A 12 10.513 7.390 7.553 1.00 0.00 C ATOM 186 NH1 ARG A 12 11.711 7.714 7.936 1.00 0.00 N ATOM 187 NH2 ARG A 12 9.921 8.235 6.766 1.00 0.00 N ATOM 0 H ARG A 12 12.782 2.322 6.971 1.00 0.00 H new ATOM 0 HA ARG A 12 10.061 1.689 7.029 1.00 0.00 H new ATOM 0 HB2 ARG A 12 11.313 4.293 6.116 1.00 0.00 H new ATOM 0 HB3 ARG A 12 9.633 4.061 6.557 1.00 0.00 H new ATOM 0 HG2 ARG A 12 10.705 3.122 8.816 1.00 0.00 H new ATOM 0 HG3 ARG A 12 12.077 4.088 8.309 1.00 0.00 H new ATOM 0 HD2 ARG A 12 9.495 4.924 9.461 1.00 0.00 H new ATOM 0 HD3 ARG A 12 11.070 5.688 9.554 1.00 0.00 H new ATOM 0 HE ARG A 12 8.994 6.117 7.485 1.00 0.00 H new ATOM 0 HH11 ARG A 12 12.234 7.094 8.555 1.00 0.00 H new ATOM 0 HH12 ARG A 12 12.129 8.588 7.618 1.00 0.00 H new ATOM 0 HH21 ARG A 12 8.979 8.042 6.427 1.00 0.00 H new ATOM 0 HH22 ARG A 12 10.398 9.092 6.487 1.00 0.00 H new ATOM 201 N SER A 13 11.216 2.389 3.980 1.00 0.00 N ATOM 202 CA SER A 13 10.958 2.224 2.538 1.00 0.00 C ATOM 203 C SER A 13 10.731 0.756 2.128 1.00 0.00 C ATOM 204 O SER A 13 9.927 0.504 1.228 1.00 0.00 O ATOM 205 CB SER A 13 12.104 2.819 1.706 1.00 0.00 C ATOM 206 OG SER A 13 12.071 4.239 1.715 1.00 0.00 O ATOM 0 H SER A 13 12.118 2.818 4.188 1.00 0.00 H new ATOM 0 HA SER A 13 10.034 2.765 2.334 1.00 0.00 H new ATOM 0 HB2 SER A 13 13.059 2.474 2.101 1.00 0.00 H new ATOM 0 HB3 SER A 13 12.035 2.459 0.680 1.00 0.00 H new ATOM 0 HG SER A 13 12.814 4.587 1.178 1.00 0.00 H new ATOM 212 N GLN A 14 11.356 -0.218 2.805 1.00 0.00 N ATOM 213 CA GLN A 14 11.124 -1.656 2.592 1.00 0.00 C ATOM 214 C GLN A 14 9.784 -2.152 3.183 1.00 0.00 C ATOM 215 O GLN A 14 9.130 -3.006 2.577 1.00 0.00 O ATOM 216 CB GLN A 14 12.334 -2.444 3.128 1.00 0.00 C ATOM 217 CG GLN A 14 12.261 -3.942 2.783 1.00 0.00 C ATOM 218 CD GLN A 14 13.528 -4.715 3.155 1.00 0.00 C ATOM 219 OE1 GLN A 14 14.630 -4.409 2.724 1.00 0.00 O ATOM 220 NE2 GLN A 14 13.426 -5.773 3.931 1.00 0.00 N ATOM 0 H GLN A 14 12.049 -0.026 3.529 1.00 0.00 H new ATOM 0 HA GLN A 14 11.030 -1.833 1.521 1.00 0.00 H new ATOM 0 HB2 GLN A 14 13.250 -2.023 2.714 1.00 0.00 H new ATOM 0 HB3 GLN A 14 12.390 -2.326 4.210 1.00 0.00 H new ATOM 0 HG2 GLN A 14 11.410 -4.385 3.300 1.00 0.00 H new ATOM 0 HG3 GLN A 14 12.078 -4.052 1.714 1.00 0.00 H new ATOM 0 HE21 GLN A 14 12.516 -6.047 4.302 1.00 0.00 H new ATOM 0 HE22 GLN A 14 14.256 -6.319 4.161 1.00 0.00 H new ATOM 229 N ASN A 15 9.327 -1.596 4.314 1.00 0.00 N ATOM 230 CA ASN A 15 7.996 -1.887 4.879 1.00 0.00 C ATOM 231 C ASN A 15 6.877 -1.285 4.007 1.00 0.00 C ATOM 232 O ASN A 15 5.906 -1.963 3.673 1.00 0.00 O ATOM 233 CB ASN A 15 7.907 -1.395 6.339 1.00 0.00 C ATOM 234 CG ASN A 15 8.555 -2.351 7.326 1.00 0.00 C ATOM 235 OD1 ASN A 15 7.896 -3.091 8.041 1.00 0.00 O ATOM 236 ND2 ASN A 15 9.860 -2.366 7.395 1.00 0.00 N ATOM 0 H ASN A 15 9.868 -0.931 4.866 1.00 0.00 H new ATOM 0 HA ASN A 15 7.855 -2.968 4.882 1.00 0.00 H new ATOM 0 HB2 ASN A 15 8.386 -0.419 6.418 1.00 0.00 H new ATOM 0 HB3 ASN A 15 6.860 -1.258 6.608 1.00 0.00 H new ATOM 0 HD21 ASN A 15 10.329 -2.996 8.046 1.00 0.00 H new ATOM 0 HD22 ASN A 15 10.409 -1.748 6.798 1.00 0.00 H new ATOM 243 N VAL A 16 7.061 -0.039 3.567 1.00 0.00 N ATOM 244 CA VAL A 16 6.221 0.652 2.571 1.00 0.00 C ATOM 245 C VAL A 16 6.182 -0.124 1.257 1.00 0.00 C ATOM 246 O VAL A 16 5.121 -0.198 0.651 1.00 0.00 O ATOM 247 CB VAL A 16 6.783 2.060 2.321 1.00 0.00 C ATOM 248 CG1 VAL A 16 5.991 2.831 1.267 1.00 0.00 C ATOM 249 CG2 VAL A 16 6.740 2.913 3.587 1.00 0.00 C ATOM 0 H VAL A 16 7.827 0.544 3.904 1.00 0.00 H new ATOM 0 HA VAL A 16 5.205 0.720 2.960 1.00 0.00 H new ATOM 0 HB VAL A 16 7.806 1.895 1.983 1.00 0.00 H new ATOM 0 HG11 VAL A 16 6.432 3.818 1.131 1.00 0.00 H new ATOM 0 HG12 VAL A 16 6.018 2.288 0.322 1.00 0.00 H new ATOM 0 HG13 VAL A 16 4.957 2.938 1.595 1.00 0.00 H new ATOM 0 HG21 VAL A 16 7.145 3.902 3.373 1.00 0.00 H new ATOM 0 HG22 VAL A 16 5.709 3.009 3.926 1.00 0.00 H new ATOM 0 HG23 VAL A 16 7.336 2.438 4.366 1.00 0.00 H new ATOM 259 N ALA A 17 7.280 -0.748 0.816 1.00 0.00 N ATOM 260 CA ALA A 17 7.283 -1.510 -0.433 1.00 0.00 C ATOM 261 C ALA A 17 6.431 -2.803 -0.365 1.00 0.00 C ATOM 262 O ALA A 17 5.918 -3.260 -1.390 1.00 0.00 O ATOM 263 CB ALA A 17 8.728 -1.818 -0.838 1.00 0.00 C ATOM 0 H ALA A 17 8.175 -0.739 1.306 1.00 0.00 H new ATOM 0 HA ALA A 17 6.811 -0.890 -1.196 1.00 0.00 H new ATOM 0 HB1 ALA A 17 8.732 -2.386 -1.768 1.00 0.00 H new ATOM 0 HB2 ALA A 17 9.273 -0.885 -0.980 1.00 0.00 H new ATOM 0 HB3 ALA A 17 9.209 -2.403 -0.054 1.00 0.00 H new ATOM 269 N GLU A 18 6.224 -3.377 0.829 1.00 0.00 N ATOM 270 CA GLU A 18 5.317 -4.509 1.045 1.00 0.00 C ATOM 271 C GLU A 18 3.852 -4.048 0.905 1.00 0.00 C ATOM 272 O GLU A 18 3.076 -4.644 0.157 1.00 0.00 O ATOM 273 CB GLU A 18 5.627 -5.123 2.427 1.00 0.00 C ATOM 274 CG GLU A 18 4.991 -6.502 2.616 1.00 0.00 C ATOM 275 CD GLU A 18 5.321 -7.091 3.995 1.00 0.00 C ATOM 276 OE1 GLU A 18 6.447 -7.606 4.207 1.00 0.00 O ATOM 277 OE2 GLU A 18 4.474 -7.007 4.918 1.00 0.00 O ATOM 0 H GLU A 18 6.688 -3.063 1.681 1.00 0.00 H new ATOM 0 HA GLU A 18 5.467 -5.281 0.291 1.00 0.00 H new ATOM 0 HB2 GLU A 18 6.707 -5.206 2.549 1.00 0.00 H new ATOM 0 HB3 GLU A 18 5.268 -4.452 3.207 1.00 0.00 H new ATOM 0 HG2 GLU A 18 3.910 -6.424 2.502 1.00 0.00 H new ATOM 0 HG3 GLU A 18 5.345 -7.177 1.837 1.00 0.00 H new ATOM 284 N LEU A 19 3.507 -2.906 1.515 1.00 0.00 N ATOM 285 CA LEU A 19 2.239 -2.194 1.309 1.00 0.00 C ATOM 286 C LEU A 19 2.019 -1.834 -0.178 1.00 0.00 C ATOM 287 O LEU A 19 0.953 -2.109 -0.725 1.00 0.00 O ATOM 288 CB LEU A 19 2.237 -0.970 2.232 1.00 0.00 C ATOM 289 CG LEU A 19 0.920 -0.173 2.171 1.00 0.00 C ATOM 290 CD1 LEU A 19 0.453 0.132 3.581 1.00 0.00 C ATOM 291 CD2 LEU A 19 1.110 1.158 1.461 1.00 0.00 C ATOM 0 H LEU A 19 4.119 -2.439 2.184 1.00 0.00 H new ATOM 0 HA LEU A 19 1.396 -2.835 1.566 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.412 -1.295 3.258 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.065 -0.315 1.960 1.00 0.00 H new ATOM 0 HG LEU A 19 0.194 -0.778 1.628 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.479 0.696 3.542 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.290 -0.801 4.120 1.00 0.00 H new ATOM 0 HD13 LEU A 19 1.212 0.721 4.096 1.00 0.00 H new ATOM 0 HD21 LEU A 19 0.162 1.695 1.435 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.850 1.753 1.996 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.454 0.981 0.442 1.00 0.00 H new ATOM 303 N LEU A 20 3.032 -1.290 -0.864 1.00 0.00 N ATOM 304 CA LEU A 20 3.003 -0.952 -2.282 1.00 0.00 C ATOM 305 C LEU A 20 2.715 -2.185 -3.150 1.00 0.00 C ATOM 306 O LEU A 20 1.878 -2.136 -4.043 1.00 0.00 O ATOM 307 CB LEU A 20 4.363 -0.317 -2.673 1.00 0.00 C ATOM 308 CG LEU A 20 4.318 0.872 -3.644 1.00 0.00 C ATOM 309 CD1 LEU A 20 3.336 0.652 -4.786 1.00 0.00 C ATOM 310 CD2 LEU A 20 3.921 2.160 -2.933 1.00 0.00 C ATOM 0 H LEU A 20 3.925 -1.067 -0.425 1.00 0.00 H new ATOM 0 HA LEU A 20 2.196 -0.240 -2.458 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.861 0.009 -1.760 1.00 0.00 H new ATOM 0 HB3 LEU A 20 4.986 -1.094 -3.116 1.00 0.00 H new ATOM 0 HG LEU A 20 5.328 0.957 -4.046 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.342 1.521 -5.444 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.628 -0.233 -5.351 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.334 0.510 -4.382 1.00 0.00 H new ATOM 0 HD21 LEU A 20 3.899 2.980 -3.651 1.00 0.00 H new ATOM 0 HD22 LEU A 20 2.933 2.041 -2.489 1.00 0.00 H new ATOM 0 HD23 LEU A 20 4.646 2.382 -2.150 1.00 0.00 H new ATOM 322 N THR A 21 3.348 -3.319 -2.844 1.00 0.00 N ATOM 323 CA THR A 21 3.150 -4.604 -3.539 1.00 0.00 C ATOM 324 C THR A 21 1.721 -5.144 -3.379 1.00 0.00 C ATOM 325 O THR A 21 1.207 -5.815 -4.283 1.00 0.00 O ATOM 326 CB THR A 21 4.188 -5.617 -3.026 1.00 0.00 C ATOM 327 OG1 THR A 21 5.485 -5.139 -3.334 1.00 0.00 O ATOM 328 CG2 THR A 21 4.050 -7.000 -3.656 1.00 0.00 C ATOM 0 H THR A 21 4.031 -3.377 -2.088 1.00 0.00 H new ATOM 0 HA THR A 21 3.293 -4.441 -4.607 1.00 0.00 H new ATOM 0 HB THR A 21 4.020 -5.717 -1.954 1.00 0.00 H new ATOM 0 HG1 THR A 21 5.741 -4.448 -2.688 1.00 0.00 H new ATOM 0 HG21 THR A 21 4.813 -7.663 -3.249 1.00 0.00 H new ATOM 0 HG22 THR A 21 3.062 -7.404 -3.434 1.00 0.00 H new ATOM 0 HG23 THR A 21 4.176 -6.922 -4.736 1.00 0.00 H new ATOM 336 N VAL A 22 1.051 -4.844 -2.265 1.00 0.00 N ATOM 337 CA VAL A 22 -0.380 -5.115 -2.062 1.00 0.00 C ATOM 338 C VAL A 22 -1.272 -4.133 -2.831 1.00 0.00 C ATOM 339 O VAL A 22 -2.229 -4.572 -3.466 1.00 0.00 O ATOM 340 CB VAL A 22 -0.685 -5.147 -0.548 1.00 0.00 C ATOM 341 CG1 VAL A 22 -2.175 -5.211 -0.213 1.00 0.00 C ATOM 342 CG2 VAL A 22 -0.022 -6.361 0.117 1.00 0.00 C ATOM 0 H VAL A 22 1.493 -4.397 -1.461 1.00 0.00 H new ATOM 0 HA VAL A 22 -0.616 -6.095 -2.477 1.00 0.00 H new ATOM 0 HB VAL A 22 -0.285 -4.207 -0.169 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -2.304 -5.230 0.869 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -2.678 -4.335 -0.623 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.607 -6.113 -0.646 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -0.251 -6.362 1.183 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -0.401 -7.277 -0.337 1.00 0.00 H new ATOM 0 HG23 VAL A 22 1.058 -6.308 -0.022 1.00 0.00 H new ATOM 352 N LEU A 23 -0.958 -2.830 -2.861 1.00 0.00 N ATOM 353 CA LEU A 23 -1.736 -1.844 -3.634 1.00 0.00 C ATOM 354 C LEU A 23 -1.597 -2.037 -5.160 1.00 0.00 C ATOM 355 O LEU A 23 -2.584 -1.902 -5.888 1.00 0.00 O ATOM 356 CB LEU A 23 -1.359 -0.405 -3.226 1.00 0.00 C ATOM 357 CG LEU A 23 -1.597 0.023 -1.773 1.00 0.00 C ATOM 358 CD1 LEU A 23 -1.288 1.512 -1.605 1.00 0.00 C ATOM 359 CD2 LEU A 23 -3.045 -0.226 -1.418 1.00 0.00 C ATOM 0 H LEU A 23 -0.167 -2.430 -2.357 1.00 0.00 H new ATOM 0 HA LEU A 23 -2.785 -2.014 -3.391 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.301 -0.263 -3.446 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.912 0.279 -3.869 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.944 -0.553 -1.117 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.461 1.805 -0.569 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.246 1.699 -1.866 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.937 2.094 -2.260 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.224 0.076 -0.386 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.687 0.353 -2.082 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -3.270 -1.287 -1.530 1.00 0.00 H new ATOM 371 N MET A 24 -0.411 -2.449 -5.625 1.00 0.00 N ATOM 372 CA MET A 24 -0.145 -2.980 -6.974 1.00 0.00 C ATOM 373 C MET A 24 -1.088 -4.142 -7.310 1.00 0.00 C ATOM 374 O MET A 24 -1.603 -4.220 -8.424 1.00 0.00 O ATOM 375 CB MET A 24 1.302 -3.510 -7.036 1.00 0.00 C ATOM 376 CG MET A 24 2.384 -2.441 -7.211 1.00 0.00 C ATOM 377 SD MET A 24 2.543 -1.782 -8.893 1.00 0.00 S ATOM 378 CE MET A 24 4.144 -0.948 -8.721 1.00 0.00 C ATOM 0 H MET A 24 0.429 -2.421 -5.047 1.00 0.00 H new ATOM 0 HA MET A 24 -0.301 -2.172 -7.689 1.00 0.00 H new ATOM 0 HB2 MET A 24 1.508 -4.065 -6.121 1.00 0.00 H new ATOM 0 HB3 MET A 24 1.377 -4.218 -7.862 1.00 0.00 H new ATOM 0 HG2 MET A 24 2.171 -1.615 -6.532 1.00 0.00 H new ATOM 0 HG3 MET A 24 3.343 -2.863 -6.910 1.00 0.00 H new ATOM 0 HE1 MET A 24 4.413 -0.478 -9.667 1.00 0.00 H new ATOM 0 HE2 MET A 24 4.076 -0.187 -7.944 1.00 0.00 H new ATOM 0 HE3 MET A 24 4.907 -1.677 -8.449 1.00 0.00 H new ATOM 388 N ASP A 25 -1.358 -5.018 -6.337 1.00 0.00 N ATOM 389 CA ASP A 25 -2.243 -6.165 -6.527 1.00 0.00 C ATOM 390 C ASP A 25 -3.694 -5.728 -6.777 1.00 0.00 C ATOM 391 O ASP A 25 -4.337 -6.267 -7.675 1.00 0.00 O ATOM 392 CB ASP A 25 -2.113 -7.157 -5.357 1.00 0.00 C ATOM 393 CG ASP A 25 -1.722 -8.547 -5.860 1.00 0.00 C ATOM 394 OD1 ASP A 25 -0.608 -8.694 -6.420 1.00 0.00 O ATOM 395 OD2 ASP A 25 -2.525 -9.503 -5.753 1.00 0.00 O ATOM 0 H ASP A 25 -0.968 -4.949 -5.397 1.00 0.00 H new ATOM 0 HA ASP A 25 -1.928 -6.692 -7.428 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -1.364 -6.797 -4.652 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -3.058 -7.214 -4.817 1.00 0.00 H new ATOM 400 N ILE A 26 -4.185 -4.690 -6.083 1.00 0.00 N ATOM 401 CA ILE A 26 -5.524 -4.123 -6.333 1.00 0.00 C ATOM 402 C ILE A 26 -5.582 -3.525 -7.741 1.00 0.00 C ATOM 403 O ILE A 26 -6.565 -3.699 -8.463 1.00 0.00 O ATOM 404 CB ILE A 26 -5.915 -3.018 -5.318 1.00 0.00 C ATOM 405 CG1 ILE A 26 -5.443 -3.200 -3.869 1.00 0.00 C ATOM 406 CG2 ILE A 26 -7.433 -2.779 -5.377 1.00 0.00 C ATOM 407 CD1 ILE A 26 -5.967 -4.450 -3.192 1.00 0.00 C ATOM 0 H ILE A 26 -3.671 -4.221 -5.337 1.00 0.00 H new ATOM 0 HA ILE A 26 -6.231 -4.946 -6.223 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.359 -2.139 -5.645 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -4.353 -3.224 -3.855 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -5.750 -2.331 -3.288 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -7.707 -2.002 -4.663 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -7.713 -2.463 -6.382 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -7.957 -3.702 -5.128 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -5.584 -4.499 -2.173 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -7.056 -4.422 -3.170 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -5.638 -5.329 -3.746 1.00 0.00 H new ATOM 419 N ASN A 27 -4.499 -2.854 -8.146 1.00 0.00 N ATOM 420 CA ASN A 27 -4.412 -2.198 -9.449 1.00 0.00 C ATOM 421 C ASN A 27 -4.479 -3.228 -10.593 1.00 0.00 C ATOM 422 O ASN A 27 -5.240 -3.035 -11.541 1.00 0.00 O ATOM 423 CB ASN A 27 -3.157 -1.304 -9.493 1.00 0.00 C ATOM 424 CG ASN A 27 -3.369 -0.102 -10.397 1.00 0.00 C ATOM 425 OD1 ASN A 27 -3.951 0.892 -9.983 1.00 0.00 O ATOM 426 ND2 ASN A 27 -2.939 -0.152 -11.635 1.00 0.00 N ATOM 0 H ASN A 27 -3.659 -2.752 -7.577 1.00 0.00 H new ATOM 0 HA ASN A 27 -5.274 -1.547 -9.595 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -2.913 -0.966 -8.486 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -2.306 -1.885 -9.849 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -3.089 0.641 -12.259 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -2.455 -0.983 -11.973 1.00 0.00 H new ATOM 433 N LYS A 28 -3.787 -4.372 -10.478 1.00 0.00 N ATOM 434 CA LYS A 28 -3.891 -5.485 -11.429 1.00 0.00 C ATOM 435 C LYS A 28 -5.249 -6.193 -11.367 1.00 0.00 C ATOM 436 O LYS A 28 -5.824 -6.458 -12.421 1.00 0.00 O ATOM 437 CB LYS A 28 -2.721 -6.454 -11.185 1.00 0.00 C ATOM 438 CG LYS A 28 -1.343 -5.882 -11.572 1.00 0.00 C ATOM 439 CD LYS A 28 -1.122 -5.632 -13.077 1.00 0.00 C ATOM 440 CE LYS A 28 -1.006 -6.898 -13.946 1.00 0.00 C ATOM 441 NZ LYS A 28 0.171 -7.715 -13.567 1.00 0.00 N ATOM 0 H LYS A 28 -3.134 -4.550 -9.715 1.00 0.00 H new ATOM 0 HA LYS A 28 -3.826 -5.087 -12.441 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -2.705 -6.730 -10.131 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -2.896 -7.369 -11.752 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.199 -4.941 -11.041 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.573 -6.568 -11.220 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -1.948 -5.028 -13.453 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.214 -5.042 -13.201 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -1.912 -7.495 -13.843 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -0.929 -6.614 -14.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 0.286 -8.494 -14.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 1.024 -7.120 -13.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 0.030 -8.105 -12.613 1.00 0.00 H new ATOM 455 N ILE A 29 -5.814 -6.414 -10.175 1.00 0.00 N ATOM 456 CA ILE A 29 -7.150 -7.021 -9.995 1.00 0.00 C ATOM 457 C ILE A 29 -8.249 -6.186 -10.678 1.00 0.00 C ATOM 458 O ILE A 29 -9.110 -6.750 -11.357 1.00 0.00 O ATOM 459 CB ILE A 29 -7.415 -7.270 -8.487 1.00 0.00 C ATOM 460 CG1 ILE A 29 -6.558 -8.462 -7.994 1.00 0.00 C ATOM 461 CG2 ILE A 29 -8.899 -7.554 -8.183 1.00 0.00 C ATOM 462 CD1 ILE A 29 -6.403 -8.541 -6.467 1.00 0.00 C ATOM 0 H ILE A 29 -5.357 -6.176 -9.295 1.00 0.00 H new ATOM 0 HA ILE A 29 -7.173 -7.990 -10.493 1.00 0.00 H new ATOM 0 HB ILE A 29 -7.140 -6.356 -7.961 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -7.007 -9.389 -8.350 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -5.568 -8.394 -8.445 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -9.026 -7.721 -7.113 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -9.503 -6.701 -8.492 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -9.219 -8.442 -8.729 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -5.789 -9.404 -6.208 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -5.924 -7.632 -6.102 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -7.386 -8.643 -6.006 1.00 0.00 H new ATOM 474 N ASN A 30 -8.206 -4.849 -10.588 1.00 0.00 N ATOM 475 CA ASN A 30 -9.141 -3.991 -11.326 1.00 0.00 C ATOM 476 C ASN A 30 -8.776 -3.806 -12.813 1.00 0.00 C ATOM 477 O ASN A 30 -9.676 -3.544 -13.612 1.00 0.00 O ATOM 478 CB ASN A 30 -9.259 -2.625 -10.626 1.00 0.00 C ATOM 479 CG ASN A 30 -10.170 -1.679 -11.401 1.00 0.00 C ATOM 480 OD1 ASN A 30 -9.717 -0.775 -12.088 1.00 0.00 O ATOM 481 ND2 ASN A 30 -11.463 -1.898 -11.394 1.00 0.00 N ATOM 0 H ASN A 30 -7.535 -4.340 -10.013 1.00 0.00 H new ATOM 0 HA ASN A 30 -10.104 -4.502 -11.318 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -9.649 -2.764 -9.618 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -8.269 -2.179 -10.526 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -12.082 -1.316 -11.959 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -11.850 -2.650 -10.824 1.00 0.00 H new ATOM 488 N GLY A 31 -7.500 -3.925 -13.192 1.00 0.00 N ATOM 489 CA GLY A 31 -6.999 -3.451 -14.490 1.00 0.00 C ATOM 490 C GLY A 31 -6.891 -1.930 -14.556 1.00 0.00 C ATOM 491 O GLY A 31 -7.299 -1.319 -15.546 1.00 0.00 O ATOM 0 H GLY A 31 -6.782 -4.353 -12.608 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -6.019 -3.890 -14.680 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -7.663 -3.799 -15.281 1.00 0.00 H new ATOM 495 N GLY A 32 -6.369 -1.323 -13.492 1.00 0.00 N ATOM 496 CA GLY A 32 -6.163 0.114 -13.367 1.00 0.00 C ATOM 497 C GLY A 32 -5.130 0.674 -14.349 1.00 0.00 C ATOM 498 O GLY A 32 -4.139 0.032 -14.705 1.00 0.00 O ATOM 0 H GLY A 32 -6.068 -1.839 -12.665 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -7.114 0.624 -13.523 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -5.844 0.340 -12.349 1.00 0.00 H new ATOM 502 N ASP A 33 -5.380 1.903 -14.775 1.00 0.00 N ATOM 503 CA ASP A 33 -4.514 2.728 -15.624 1.00 0.00 C ATOM 504 C ASP A 33 -3.182 3.103 -14.931 1.00 0.00 C ATOM 505 O ASP A 33 -3.099 3.160 -13.700 1.00 0.00 O ATOM 506 CB ASP A 33 -5.331 3.969 -16.024 1.00 0.00 C ATOM 507 CG ASP A 33 -4.641 4.836 -17.071 1.00 0.00 C ATOM 508 OD1 ASP A 33 -3.812 5.692 -16.685 1.00 0.00 O ATOM 509 OD2 ASP A 33 -4.908 4.647 -18.282 1.00 0.00 O ATOM 0 H ASP A 33 -6.243 2.386 -14.526 1.00 0.00 H new ATOM 0 HA ASP A 33 -4.213 2.167 -16.509 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -6.299 3.649 -16.409 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -5.524 4.570 -15.135 1.00 0.00 H new ATOM 514 N SER A 34 -2.131 3.412 -15.702 1.00 0.00 N ATOM 515 CA SER A 34 -0.823 3.809 -15.148 1.00 0.00 C ATOM 516 C SER A 34 -0.863 5.136 -14.365 1.00 0.00 C ATOM 517 O SER A 34 0.002 5.377 -13.518 1.00 0.00 O ATOM 518 CB SER A 34 0.222 3.859 -16.270 1.00 0.00 C ATOM 519 OG SER A 34 1.542 3.844 -15.751 1.00 0.00 O ATOM 0 H SER A 34 -2.159 3.395 -16.721 1.00 0.00 H new ATOM 0 HA SER A 34 -0.541 3.049 -14.419 1.00 0.00 H new ATOM 0 HB2 SER A 34 0.082 3.008 -16.937 1.00 0.00 H new ATOM 0 HB3 SER A 34 0.074 4.759 -16.866 1.00 0.00 H new ATOM 0 HG SER A 34 2.185 3.875 -16.490 1.00 0.00 H new ATOM 525 N THR A 35 -1.869 5.998 -14.577 1.00 0.00 N ATOM 526 CA THR A 35 -2.160 7.155 -13.718 1.00 0.00 C ATOM 527 C THR A 35 -2.670 6.729 -12.339 1.00 0.00 C ATOM 528 O THR A 35 -2.227 7.258 -11.320 1.00 0.00 O ATOM 529 CB THR A 35 -3.210 8.072 -14.364 1.00 0.00 C ATOM 530 OG1 THR A 35 -4.379 7.370 -14.738 1.00 0.00 O ATOM 531 CG2 THR A 35 -2.684 8.812 -15.592 1.00 0.00 C ATOM 0 H THR A 35 -2.513 5.909 -15.363 1.00 0.00 H new ATOM 0 HA THR A 35 -1.220 7.693 -13.599 1.00 0.00 H new ATOM 0 HB THR A 35 -3.450 8.800 -13.589 1.00 0.00 H new ATOM 0 HG1 THR A 35 -4.276 7.025 -15.650 1.00 0.00 H new ATOM 0 HG21 THR A 35 -3.473 9.443 -16.002 1.00 0.00 H new ATOM 0 HG22 THR A 35 -1.835 9.433 -15.307 1.00 0.00 H new ATOM 0 HG23 THR A 35 -2.369 8.090 -16.345 1.00 0.00 H new ATOM 539 N THR A 36 -3.539 5.720 -12.288 1.00 0.00 N ATOM 540 CA THR A 36 -4.084 5.133 -11.059 1.00 0.00 C ATOM 541 C THR A 36 -2.995 4.404 -10.269 1.00 0.00 C ATOM 542 O THR A 36 -2.913 4.558 -9.050 1.00 0.00 O ATOM 543 CB THR A 36 -5.233 4.175 -11.411 1.00 0.00 C ATOM 544 OG1 THR A 36 -6.090 4.781 -12.359 1.00 0.00 O ATOM 545 CG2 THR A 36 -6.084 3.868 -10.192 1.00 0.00 C ATOM 0 H THR A 36 -3.897 5.271 -13.131 1.00 0.00 H new ATOM 0 HA THR A 36 -4.468 5.935 -10.428 1.00 0.00 H new ATOM 0 HB THR A 36 -4.783 3.262 -11.800 1.00 0.00 H new ATOM 0 HG1 THR A 36 -6.820 4.165 -12.581 1.00 0.00 H new ATOM 0 HG21 THR A 36 -6.889 3.188 -10.472 1.00 0.00 H new ATOM 0 HG22 THR A 36 -5.466 3.402 -9.425 1.00 0.00 H new ATOM 0 HG23 THR A 36 -6.510 4.793 -9.803 1.00 0.00 H new ATOM 553 N ALA A 37 -2.085 3.708 -10.960 1.00 0.00 N ATOM 554 CA ALA A 37 -0.882 3.130 -10.360 1.00 0.00 C ATOM 555 C ALA A 37 0.005 4.217 -9.710 1.00 0.00 C ATOM 556 O ALA A 37 0.441 4.083 -8.567 1.00 0.00 O ATOM 557 CB ALA A 37 -0.131 2.347 -11.445 1.00 0.00 C ATOM 0 H ALA A 37 -2.166 3.530 -11.961 1.00 0.00 H new ATOM 0 HA ALA A 37 -1.161 2.451 -9.554 1.00 0.00 H new ATOM 0 HB1 ALA A 37 0.770 1.907 -11.018 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -0.773 1.555 -11.832 1.00 0.00 H new ATOM 0 HB3 ALA A 37 0.143 3.021 -12.256 1.00 0.00 H new ATOM 563 N GLU A 38 0.215 5.343 -10.397 1.00 0.00 N ATOM 564 CA GLU A 38 0.935 6.505 -9.860 1.00 0.00 C ATOM 565 C GLU A 38 0.234 7.161 -8.655 1.00 0.00 C ATOM 566 O GLU A 38 0.921 7.633 -7.747 1.00 0.00 O ATOM 567 CB GLU A 38 1.228 7.498 -10.986 1.00 0.00 C ATOM 568 CG GLU A 38 2.490 7.126 -11.785 1.00 0.00 C ATOM 569 CD GLU A 38 3.766 7.361 -10.969 1.00 0.00 C ATOM 570 OE1 GLU A 38 3.983 8.525 -10.555 1.00 0.00 O ATOM 571 OE2 GLU A 38 4.536 6.405 -10.715 1.00 0.00 O ATOM 0 H GLU A 38 -0.113 5.477 -11.353 1.00 0.00 H new ATOM 0 HA GLU A 38 1.883 6.148 -9.458 1.00 0.00 H new ATOM 0 HB2 GLU A 38 0.373 7.540 -11.661 1.00 0.00 H new ATOM 0 HB3 GLU A 38 1.350 8.496 -10.564 1.00 0.00 H new ATOM 0 HG2 GLU A 38 2.436 6.079 -12.084 1.00 0.00 H new ATOM 0 HG3 GLU A 38 2.529 7.717 -12.700 1.00 0.00 H new ATOM 578 N LYS A 39 -1.106 7.167 -8.605 1.00 0.00 N ATOM 579 CA LYS A 39 -1.909 7.668 -7.473 1.00 0.00 C ATOM 580 C LYS A 39 -1.996 6.714 -6.271 1.00 0.00 C ATOM 581 O LYS A 39 -2.068 7.205 -5.143 1.00 0.00 O ATOM 582 CB LYS A 39 -3.297 8.069 -7.994 1.00 0.00 C ATOM 583 CG LYS A 39 -3.415 9.580 -8.257 1.00 0.00 C ATOM 584 CD LYS A 39 -2.342 10.212 -9.164 1.00 0.00 C ATOM 585 CE LYS A 39 -2.554 11.730 -9.166 1.00 0.00 C ATOM 586 NZ LYS A 39 -1.445 12.463 -9.818 1.00 0.00 N ATOM 0 H LYS A 39 -1.680 6.814 -9.371 1.00 0.00 H new ATOM 0 HA LYS A 39 -1.391 8.538 -7.069 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -3.506 7.526 -8.916 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -4.054 7.770 -7.269 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -4.392 9.772 -8.701 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -3.394 10.095 -7.296 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -1.344 9.968 -8.800 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -2.418 9.816 -10.177 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -3.488 11.961 -9.679 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -2.660 12.079 -8.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -1.640 13.484 -9.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -0.556 12.267 -9.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -1.358 12.153 -10.807 1.00 0.00 H new ATOM 600 N MET A 40 -1.928 5.391 -6.446 1.00 0.00 N ATOM 601 CA MET A 40 -1.829 4.459 -5.305 1.00 0.00 C ATOM 602 C MET A 40 -0.415 4.431 -4.692 1.00 0.00 C ATOM 603 O MET A 40 -0.280 4.325 -3.474 1.00 0.00 O ATOM 604 CB MET A 40 -2.435 3.083 -5.632 1.00 0.00 C ATOM 605 CG MET A 40 -1.666 2.236 -6.647 1.00 0.00 C ATOM 606 SD MET A 40 -0.137 1.485 -6.023 1.00 0.00 S ATOM 607 CE MET A 40 0.509 0.784 -7.559 1.00 0.00 C ATOM 0 H MET A 40 -1.939 4.937 -7.359 1.00 0.00 H new ATOM 0 HA MET A 40 -2.455 4.844 -4.500 1.00 0.00 H new ATOM 0 HB2 MET A 40 -2.520 2.516 -4.705 1.00 0.00 H new ATOM 0 HB3 MET A 40 -3.447 3.234 -6.007 1.00 0.00 H new ATOM 0 HG2 MET A 40 -2.322 1.443 -7.006 1.00 0.00 H new ATOM 0 HG3 MET A 40 -1.421 2.860 -7.506 1.00 0.00 H new ATOM 0 HE1 MET A 40 1.503 0.373 -7.382 1.00 0.00 H new ATOM 0 HE2 MET A 40 -0.155 -0.008 -7.905 1.00 0.00 H new ATOM 0 HE3 MET A 40 0.569 1.564 -8.318 1.00 0.00 H new ATOM 617 N LYS A 41 0.638 4.682 -5.483 1.00 0.00 N ATOM 618 CA LYS A 41 1.998 4.962 -4.970 1.00 0.00 C ATOM 619 C LYS A 41 2.016 6.155 -3.993 1.00 0.00 C ATOM 620 O LYS A 41 2.598 6.080 -2.912 1.00 0.00 O ATOM 621 CB LYS A 41 2.945 5.168 -6.149 1.00 0.00 C ATOM 622 CG LYS A 41 3.330 3.844 -6.827 1.00 0.00 C ATOM 623 CD LYS A 41 3.830 4.044 -8.257 1.00 0.00 C ATOM 624 CE LYS A 41 4.382 2.736 -8.825 1.00 0.00 C ATOM 625 NZ LYS A 41 4.904 2.929 -10.195 1.00 0.00 N ATOM 0 H LYS A 41 0.576 4.698 -6.501 1.00 0.00 H new ATOM 0 HA LYS A 41 2.340 4.104 -4.391 1.00 0.00 H new ATOM 0 HB2 LYS A 41 2.473 5.824 -6.880 1.00 0.00 H new ATOM 0 HB3 LYS A 41 3.847 5.672 -5.803 1.00 0.00 H new ATOM 0 HG2 LYS A 41 4.105 3.351 -6.240 1.00 0.00 H new ATOM 0 HG3 LYS A 41 2.466 3.180 -6.837 1.00 0.00 H new ATOM 0 HD2 LYS A 41 3.015 4.404 -8.885 1.00 0.00 H new ATOM 0 HD3 LYS A 41 4.606 4.809 -8.272 1.00 0.00 H new ATOM 0 HE2 LYS A 41 5.176 2.362 -8.179 1.00 0.00 H new ATOM 0 HE3 LYS A 41 3.597 1.980 -8.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 5.272 2.026 -10.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 4.138 3.263 -10.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 5.669 3.633 -10.179 1.00 0.00 H new ATOM 639 N VAL A 42 1.285 7.224 -4.325 1.00 0.00 N ATOM 640 CA VAL A 42 1.064 8.408 -3.464 1.00 0.00 C ATOM 641 C VAL A 42 0.255 8.088 -2.192 1.00 0.00 C ATOM 642 O VAL A 42 0.481 8.716 -1.153 1.00 0.00 O ATOM 643 CB VAL A 42 0.394 9.519 -4.304 1.00 0.00 C ATOM 644 CG1 VAL A 42 -0.207 10.675 -3.499 1.00 0.00 C ATOM 645 CG2 VAL A 42 1.404 10.115 -5.288 1.00 0.00 C ATOM 0 H VAL A 42 0.813 7.299 -5.226 1.00 0.00 H new ATOM 0 HA VAL A 42 2.033 8.754 -3.105 1.00 0.00 H new ATOM 0 HB VAL A 42 -0.433 9.017 -4.807 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -0.652 11.400 -4.180 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.974 10.290 -2.827 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.577 11.158 -2.916 1.00 0.00 H new ATOM 0 HG21 VAL A 42 0.922 10.897 -5.875 1.00 0.00 H new ATOM 0 HG22 VAL A 42 2.242 10.540 -4.736 1.00 0.00 H new ATOM 0 HG23 VAL A 42 1.768 9.333 -5.954 1.00 0.00 H new ATOM 655 N HIS A 43 -0.638 7.094 -2.232 1.00 0.00 N ATOM 656 CA HIS A 43 -1.476 6.672 -1.103 1.00 0.00 C ATOM 657 C HIS A 43 -0.624 5.962 -0.040 1.00 0.00 C ATOM 658 O HIS A 43 -0.765 6.247 1.149 1.00 0.00 O ATOM 659 CB HIS A 43 -2.600 5.775 -1.656 1.00 0.00 C ATOM 660 CG HIS A 43 -3.693 5.342 -0.710 1.00 0.00 C ATOM 661 ND1 HIS A 43 -3.912 5.742 0.590 1.00 0.00 N ATOM 662 CD2 HIS A 43 -4.704 4.479 -1.033 1.00 0.00 C ATOM 663 CE1 HIS A 43 -5.026 5.138 1.034 1.00 0.00 C ATOM 664 NE2 HIS A 43 -5.570 4.381 0.063 1.00 0.00 N ATOM 0 H HIS A 43 -0.803 6.544 -3.075 1.00 0.00 H new ATOM 0 HA HIS A 43 -1.926 7.532 -0.607 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -3.068 6.301 -2.488 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -2.139 4.877 -2.066 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -4.815 3.961 -1.974 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -5.429 5.245 2.030 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -6.436 3.845 0.115 1.00 0.00 H new ATOM 672 N ALA A 44 0.335 5.132 -0.470 1.00 0.00 N ATOM 673 CA ALA A 44 1.335 4.539 0.418 1.00 0.00 C ATOM 674 C ALA A 44 2.194 5.609 1.114 1.00 0.00 C ATOM 675 O ALA A 44 2.336 5.581 2.335 1.00 0.00 O ATOM 676 CB ALA A 44 2.222 3.589 -0.390 1.00 0.00 C ATOM 0 H ALA A 44 0.437 4.854 -1.446 1.00 0.00 H new ATOM 0 HA ALA A 44 0.814 3.988 1.201 1.00 0.00 H new ATOM 0 HB1 ALA A 44 2.970 3.143 0.266 1.00 0.00 H new ATOM 0 HB2 ALA A 44 1.608 2.802 -0.828 1.00 0.00 H new ATOM 0 HB3 ALA A 44 2.721 4.144 -1.184 1.00 0.00 H new ATOM 682 N LYS A 45 2.713 6.587 0.352 1.00 0.00 N ATOM 683 CA LYS A 45 3.505 7.713 0.887 1.00 0.00 C ATOM 684 C LYS A 45 2.721 8.573 1.888 1.00 0.00 C ATOM 685 O LYS A 45 3.273 8.983 2.905 1.00 0.00 O ATOM 686 CB LYS A 45 4.047 8.563 -0.276 1.00 0.00 C ATOM 687 CG LYS A 45 5.221 7.856 -0.971 1.00 0.00 C ATOM 688 CD LYS A 45 5.688 8.603 -2.226 1.00 0.00 C ATOM 689 CE LYS A 45 6.991 7.954 -2.703 1.00 0.00 C ATOM 690 NZ LYS A 45 7.420 8.436 -4.035 1.00 0.00 N ATOM 0 H LYS A 45 2.595 6.620 -0.661 1.00 0.00 H new ATOM 0 HA LYS A 45 4.340 7.292 1.447 1.00 0.00 H new ATOM 0 HB2 LYS A 45 3.251 8.750 -0.997 1.00 0.00 H new ATOM 0 HB3 LYS A 45 4.372 9.534 0.098 1.00 0.00 H new ATOM 0 HG2 LYS A 45 6.053 7.767 -0.273 1.00 0.00 H new ATOM 0 HG3 LYS A 45 4.923 6.843 -1.243 1.00 0.00 H new ATOM 0 HD2 LYS A 45 4.928 8.551 -3.006 1.00 0.00 H new ATOM 0 HD3 LYS A 45 5.846 9.659 -2.005 1.00 0.00 H new ATOM 0 HE2 LYS A 45 7.779 8.157 -1.978 1.00 0.00 H new ATOM 0 HE3 LYS A 45 6.861 6.872 -2.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 8.306 7.963 -4.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 6.683 8.220 -4.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 7.573 9.464 -3.999 1.00 0.00 H new ATOM 704 N SER A 46 1.425 8.774 1.659 1.00 0.00 N ATOM 705 CA SER A 46 0.534 9.477 2.595 1.00 0.00 C ATOM 706 C SER A 46 0.306 8.677 3.885 1.00 0.00 C ATOM 707 O SER A 46 0.330 9.276 4.965 1.00 0.00 O ATOM 708 CB SER A 46 -0.776 9.831 1.873 1.00 0.00 C ATOM 709 OG SER A 46 -1.875 10.047 2.742 1.00 0.00 O ATOM 0 H SER A 46 0.954 8.453 0.813 1.00 0.00 H new ATOM 0 HA SER A 46 1.010 10.404 2.915 1.00 0.00 H new ATOM 0 HB2 SER A 46 -0.618 10.728 1.275 1.00 0.00 H new ATOM 0 HB3 SER A 46 -1.026 9.027 1.181 1.00 0.00 H new ATOM 0 HG SER A 46 -2.671 10.268 2.214 1.00 0.00 H new ATOM 715 N PHE A 47 0.164 7.346 3.809 1.00 0.00 N ATOM 716 CA PHE A 47 0.086 6.492 5.002 1.00 0.00 C ATOM 717 C PHE A 47 1.391 6.513 5.813 1.00 0.00 C ATOM 718 O PHE A 47 1.362 6.681 7.034 1.00 0.00 O ATOM 719 CB PHE A 47 -0.289 5.054 4.628 1.00 0.00 C ATOM 720 CG PHE A 47 -0.712 4.246 5.843 1.00 0.00 C ATOM 721 CD1 PHE A 47 -1.994 4.432 6.393 1.00 0.00 C ATOM 722 CD2 PHE A 47 0.197 3.378 6.480 1.00 0.00 C ATOM 723 CE1 PHE A 47 -2.355 3.788 7.591 1.00 0.00 C ATOM 724 CE2 PHE A 47 -0.171 2.715 7.666 1.00 0.00 C ATOM 725 CZ PHE A 47 -1.441 2.931 8.229 1.00 0.00 C ATOM 0 H PHE A 47 0.101 6.836 2.928 1.00 0.00 H new ATOM 0 HA PHE A 47 -0.701 6.903 5.634 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -1.100 5.068 3.900 1.00 0.00 H new ATOM 0 HB3 PHE A 47 0.561 4.570 4.148 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -2.705 5.073 5.893 1.00 0.00 H new ATOM 0 HD2 PHE A 47 1.178 3.221 6.057 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -3.333 3.952 8.020 1.00 0.00 H new ATOM 0 HE2 PHE A 47 0.523 2.040 8.144 1.00 0.00 H new ATOM 0 HZ PHE A 47 -1.714 2.439 9.151 1.00 0.00 H new ATOM 735 N GLU A 48 2.533 6.392 5.127 1.00 0.00 N ATOM 736 CA GLU A 48 3.886 6.427 5.686 1.00 0.00 C ATOM 737 C GLU A 48 4.128 7.695 6.502 1.00 0.00 C ATOM 738 O GLU A 48 4.383 7.649 7.703 1.00 0.00 O ATOM 739 CB GLU A 48 4.842 6.423 4.469 1.00 0.00 C ATOM 740 CG GLU A 48 6.271 6.019 4.761 1.00 0.00 C ATOM 741 CD GLU A 48 7.027 6.834 5.817 1.00 0.00 C ATOM 742 OE1 GLU A 48 7.401 8.005 5.542 1.00 0.00 O ATOM 743 OE2 GLU A 48 7.326 6.255 6.890 1.00 0.00 O ATOM 0 H GLU A 48 2.537 6.260 4.116 1.00 0.00 H new ATOM 0 HA GLU A 48 4.042 5.580 6.354 1.00 0.00 H new ATOM 0 HB2 GLU A 48 4.439 5.747 3.715 1.00 0.00 H new ATOM 0 HB3 GLU A 48 4.848 7.421 4.031 1.00 0.00 H new ATOM 0 HG2 GLU A 48 6.269 4.976 5.077 1.00 0.00 H new ATOM 0 HG3 GLU A 48 6.834 6.069 3.829 1.00 0.00 H new ATOM 750 N ALA A 49 3.921 8.828 5.844 1.00 0.00 N ATOM 751 CA ALA A 49 4.123 10.168 6.385 1.00 0.00 C ATOM 752 C ALA A 49 3.189 10.504 7.557 1.00 0.00 C ATOM 753 O ALA A 49 3.577 11.234 8.475 1.00 0.00 O ATOM 754 CB ALA A 49 3.938 11.157 5.233 1.00 0.00 C ATOM 0 H ALA A 49 3.594 8.840 4.878 1.00 0.00 H new ATOM 0 HA ALA A 49 5.128 10.229 6.803 1.00 0.00 H new ATOM 0 HB1 ALA A 49 4.082 12.173 5.599 1.00 0.00 H new ATOM 0 HB2 ALA A 49 4.668 10.946 4.452 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.932 11.057 4.826 1.00 0.00 H new ATOM 760 N ALA A 50 1.975 9.949 7.553 1.00 0.00 N ATOM 761 CA ALA A 50 1.025 10.109 8.647 1.00 0.00 C ATOM 762 C ALA A 50 1.410 9.243 9.850 1.00 0.00 C ATOM 763 O ALA A 50 1.278 9.693 10.989 1.00 0.00 O ATOM 764 CB ALA A 50 -0.380 9.778 8.145 1.00 0.00 C ATOM 0 H ALA A 50 1.626 9.374 6.786 1.00 0.00 H new ATOM 0 HA ALA A 50 1.044 11.144 8.988 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.095 9.896 8.960 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -0.644 10.453 7.330 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -0.405 8.749 7.787 1.00 0.00 H new ATOM 770 N LEU A 51 1.932 8.035 9.614 1.00 0.00 N ATOM 771 CA LEU A 51 2.365 7.124 10.669 1.00 0.00 C ATOM 772 C LEU A 51 3.710 7.542 11.287 1.00 0.00 C ATOM 773 O LEU A 51 3.874 7.479 12.503 1.00 0.00 O ATOM 774 CB LEU A 51 2.411 5.700 10.095 1.00 0.00 C ATOM 775 CG LEU A 51 2.621 4.635 11.181 1.00 0.00 C ATOM 776 CD1 LEU A 51 1.480 4.574 12.193 1.00 0.00 C ATOM 777 CD2 LEU A 51 2.786 3.273 10.516 1.00 0.00 C ATOM 0 H LEU A 51 2.066 7.662 8.674 1.00 0.00 H new ATOM 0 HA LEU A 51 1.648 7.161 11.489 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.481 5.495 9.565 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.216 5.632 9.364 1.00 0.00 H new ATOM 0 HG LEU A 51 3.517 4.912 11.736 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.691 3.802 12.933 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.385 5.538 12.692 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.549 4.339 11.678 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.936 2.511 11.280 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.891 3.038 9.940 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.650 3.295 9.851 1.00 0.00 H new ATOM 789 N PHE A 52 4.642 8.040 10.472 1.00 0.00 N ATOM 790 CA PHE A 52 5.900 8.652 10.910 1.00 0.00 C ATOM 791 C PHE A 52 5.674 9.864 11.832 1.00 0.00 C ATOM 792 O PHE A 52 6.540 10.239 12.619 1.00 0.00 O ATOM 793 CB PHE A 52 6.778 8.986 9.694 1.00 0.00 C ATOM 794 CG PHE A 52 8.243 9.212 10.037 1.00 0.00 C ATOM 795 CD1 PHE A 52 8.985 8.216 10.707 1.00 0.00 C ATOM 796 CD2 PHE A 52 8.875 10.416 9.679 1.00 0.00 C ATOM 797 CE1 PHE A 52 10.341 8.429 11.019 1.00 0.00 C ATOM 798 CE2 PHE A 52 10.233 10.626 9.980 1.00 0.00 C ATOM 799 CZ PHE A 52 10.968 9.632 10.650 1.00 0.00 C ATOM 0 H PHE A 52 4.540 8.029 9.457 1.00 0.00 H new ATOM 0 HA PHE A 52 6.437 7.925 11.519 1.00 0.00 H new ATOM 0 HB2 PHE A 52 6.705 8.174 8.971 1.00 0.00 H new ATOM 0 HB3 PHE A 52 6.386 9.880 9.209 1.00 0.00 H new ATOM 0 HD1 PHE A 52 8.510 7.286 10.982 1.00 0.00 H new ATOM 0 HD2 PHE A 52 8.314 11.185 9.169 1.00 0.00 H new ATOM 0 HE1 PHE A 52 10.900 7.668 11.542 1.00 0.00 H new ATOM 0 HE2 PHE A 52 10.712 11.552 9.696 1.00 0.00 H new ATOM 0 HZ PHE A 52 12.011 9.792 10.880 1.00 0.00 H new ATOM 809 N GLU A 53 4.519 10.524 11.745 1.00 0.00 N ATOM 810 CA GLU A 53 4.131 11.584 12.680 1.00 0.00 C ATOM 811 C GLU A 53 3.804 11.090 14.110 1.00 0.00 C ATOM 812 O GLU A 53 3.872 11.898 15.040 1.00 0.00 O ATOM 813 CB GLU A 53 2.954 12.364 12.072 1.00 0.00 C ATOM 814 CG GLU A 53 2.917 13.821 12.536 1.00 0.00 C ATOM 815 CD GLU A 53 4.155 14.599 12.083 1.00 0.00 C ATOM 816 OE1 GLU A 53 4.371 14.742 10.855 1.00 0.00 O ATOM 817 OE2 GLU A 53 4.911 15.080 12.959 1.00 0.00 O ATOM 0 H GLU A 53 3.823 10.339 11.023 1.00 0.00 H new ATOM 0 HA GLU A 53 4.996 12.234 12.813 1.00 0.00 H new ATOM 0 HB2 GLU A 53 3.025 12.334 10.985 1.00 0.00 H new ATOM 0 HB3 GLU A 53 2.019 11.875 12.344 1.00 0.00 H new ATOM 0 HG2 GLU A 53 2.022 14.304 12.144 1.00 0.00 H new ATOM 0 HG3 GLU A 53 2.846 13.854 13.623 1.00 0.00 H new ATOM 824 N LYS A 54 3.461 9.802 14.302 1.00 0.00 N ATOM 825 CA LYS A 54 3.196 9.151 15.609 1.00 0.00 C ATOM 826 C LYS A 54 4.110 7.955 15.972 1.00 0.00 C ATOM 827 O LYS A 54 3.811 7.188 16.895 1.00 0.00 O ATOM 828 CB LYS A 54 1.692 8.884 15.797 1.00 0.00 C ATOM 829 CG LYS A 54 1.031 7.999 14.721 1.00 0.00 C ATOM 830 CD LYS A 54 0.137 8.777 13.738 1.00 0.00 C ATOM 831 CE LYS A 54 -1.307 9.029 14.206 1.00 0.00 C ATOM 832 NZ LYS A 54 -1.393 9.945 15.364 1.00 0.00 N ATOM 0 H LYS A 54 3.355 9.155 13.520 1.00 0.00 H new ATOM 0 HA LYS A 54 3.495 9.880 16.362 1.00 0.00 H new ATOM 0 HB2 LYS A 54 1.544 8.414 16.769 1.00 0.00 H new ATOM 0 HB3 LYS A 54 1.172 9.842 15.823 1.00 0.00 H new ATOM 0 HG2 LYS A 54 1.810 7.484 14.159 1.00 0.00 H new ATOM 0 HG3 LYS A 54 0.432 7.232 15.212 1.00 0.00 H new ATOM 0 HD2 LYS A 54 0.606 9.739 13.533 1.00 0.00 H new ATOM 0 HD3 LYS A 54 0.104 8.231 12.795 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -1.883 9.444 13.379 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -1.768 8.077 14.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -2.392 10.128 15.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -0.927 9.510 16.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -0.920 10.842 15.133 1.00 0.00 H new ATOM 846 N SER A 55 5.196 7.745 15.228 1.00 0.00 N ATOM 847 CA SER A 55 6.151 6.624 15.314 1.00 0.00 C ATOM 848 C SER A 55 7.067 6.543 16.554 1.00 0.00 C ATOM 849 O SER A 55 8.101 5.875 16.487 1.00 0.00 O ATOM 850 CB SER A 55 6.987 6.601 14.027 1.00 0.00 C ATOM 851 OG SER A 55 7.659 7.824 13.814 1.00 0.00 O ATOM 0 H SER A 55 5.457 8.400 14.491 1.00 0.00 H new ATOM 0 HA SER A 55 5.525 5.740 15.433 1.00 0.00 H new ATOM 0 HB2 SER A 55 7.715 5.791 14.081 1.00 0.00 H new ATOM 0 HB3 SER A 55 6.339 6.390 13.177 1.00 0.00 H new ATOM 0 HG SER A 55 8.062 7.824 12.921 1.00 0.00 H new ATOM 857 N SER A 56 6.755 7.205 17.675 1.00 0.00 N ATOM 858 CA SER A 56 7.688 7.406 18.805 1.00 0.00 C ATOM 859 C SER A 56 8.147 6.142 19.553 1.00 0.00 C ATOM 860 O SER A 56 9.082 6.213 20.351 1.00 0.00 O ATOM 861 CB SER A 56 7.143 8.446 19.784 1.00 0.00 C ATOM 862 OG SER A 56 5.849 8.120 20.266 1.00 0.00 O ATOM 0 H SER A 56 5.838 7.624 17.831 1.00 0.00 H new ATOM 0 HA SER A 56 8.597 7.771 18.327 1.00 0.00 H new ATOM 0 HB2 SER A 56 7.827 8.539 20.627 1.00 0.00 H new ATOM 0 HB3 SER A 56 7.109 9.418 19.293 1.00 0.00 H new ATOM 0 HG SER A 56 5.547 8.814 20.888 1.00 0.00 H new ATOM 868 N SER A 57 7.579 4.978 19.239 1.00 0.00 N ATOM 869 CA SER A 57 8.236 3.676 19.392 1.00 0.00 C ATOM 870 C SER A 57 8.137 2.894 18.074 1.00 0.00 C ATOM 871 O SER A 57 7.061 2.823 17.468 1.00 0.00 O ATOM 872 CB SER A 57 7.615 2.876 20.544 1.00 0.00 C ATOM 873 OG SER A 57 7.872 3.480 21.797 1.00 0.00 O ATOM 0 H SER A 57 6.633 4.910 18.864 1.00 0.00 H new ATOM 0 HA SER A 57 9.286 3.840 19.634 1.00 0.00 H new ATOM 0 HB2 SER A 57 6.539 2.795 20.393 1.00 0.00 H new ATOM 0 HB3 SER A 57 8.014 1.862 20.540 1.00 0.00 H new ATOM 0 HG SER A 57 7.461 2.946 22.508 1.00 0.00 H new ATOM 879 N LYS A 58 9.236 2.250 17.651 1.00 0.00 N ATOM 880 CA LYS A 58 9.304 1.391 16.452 1.00 0.00 C ATOM 881 C LYS A 58 8.287 0.253 16.515 1.00 0.00 C ATOM 882 O LYS A 58 7.684 -0.065 15.495 1.00 0.00 O ATOM 883 CB LYS A 58 10.741 0.864 16.294 1.00 0.00 C ATOM 884 CG LYS A 58 10.957 -0.093 15.142 1.00 0.00 C ATOM 885 CD LYS A 58 12.429 -0.527 15.042 1.00 0.00 C ATOM 886 CE LYS A 58 12.683 -1.239 13.712 1.00 0.00 C ATOM 887 NZ LYS A 58 12.463 -2.700 13.795 1.00 0.00 N ATOM 0 H LYS A 58 10.127 2.312 18.144 1.00 0.00 H new ATOM 0 HA LYS A 58 9.044 1.983 15.574 1.00 0.00 H new ATOM 0 HB2 LYS A 58 11.410 1.715 16.168 1.00 0.00 H new ATOM 0 HB3 LYS A 58 11.031 0.365 17.219 1.00 0.00 H new ATOM 0 HG2 LYS A 58 10.325 -0.971 15.273 1.00 0.00 H new ATOM 0 HG3 LYS A 58 10.652 0.383 14.210 1.00 0.00 H new ATOM 0 HD2 LYS A 58 13.079 0.344 15.126 1.00 0.00 H new ATOM 0 HD3 LYS A 58 12.677 -1.190 15.871 1.00 0.00 H new ATOM 0 HE2 LYS A 58 12.027 -0.820 12.949 1.00 0.00 H new ATOM 0 HE3 LYS A 58 13.707 -1.048 13.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 12.516 -3.114 12.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 13.194 -3.127 14.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 11.525 -2.887 14.202 1.00 0.00 H new ATOM 901 N GLU A 59 8.037 -0.306 17.700 1.00 0.00 N ATOM 902 CA GLU A 59 7.013 -1.336 17.912 1.00 0.00 C ATOM 903 C GLU A 59 5.613 -0.882 17.468 1.00 0.00 C ATOM 904 O GLU A 59 4.893 -1.679 16.870 1.00 0.00 O ATOM 905 CB GLU A 59 6.975 -1.742 19.397 1.00 0.00 C ATOM 906 CG GLU A 59 8.148 -2.630 19.840 1.00 0.00 C ATOM 907 CD GLU A 59 7.964 -4.095 19.423 1.00 0.00 C ATOM 908 OE1 GLU A 59 8.097 -4.401 18.211 1.00 0.00 O ATOM 909 OE2 GLU A 59 7.700 -4.951 20.304 1.00 0.00 O ATOM 0 H GLU A 59 8.543 -0.056 18.549 1.00 0.00 H new ATOM 0 HA GLU A 59 7.290 -2.190 17.294 1.00 0.00 H new ATOM 0 HB2 GLU A 59 6.967 -0.840 20.008 1.00 0.00 H new ATOM 0 HB3 GLU A 59 6.041 -2.269 19.594 1.00 0.00 H new ATOM 0 HG2 GLU A 59 9.073 -2.246 19.410 1.00 0.00 H new ATOM 0 HG3 GLU A 59 8.253 -2.574 20.923 1.00 0.00 H new ATOM 916 N GLU A 60 5.224 0.379 17.701 1.00 0.00 N ATOM 917 CA GLU A 60 3.908 0.905 17.298 1.00 0.00 C ATOM 918 C GLU A 60 3.849 1.231 15.800 1.00 0.00 C ATOM 919 O GLU A 60 2.855 0.904 15.147 1.00 0.00 O ATOM 920 CB GLU A 60 3.518 2.148 18.117 1.00 0.00 C ATOM 921 CG GLU A 60 3.541 1.959 19.640 1.00 0.00 C ATOM 922 CD GLU A 60 2.692 0.775 20.131 1.00 0.00 C ATOM 923 OE1 GLU A 60 1.510 0.635 19.726 1.00 0.00 O ATOM 924 OE2 GLU A 60 3.173 -0.011 20.981 1.00 0.00 O ATOM 0 H GLU A 60 5.812 1.065 18.174 1.00 0.00 H new ATOM 0 HA GLU A 60 3.189 0.112 17.502 1.00 0.00 H new ATOM 0 HB2 GLU A 60 4.195 2.962 17.857 1.00 0.00 H new ATOM 0 HB3 GLU A 60 2.516 2.460 17.820 1.00 0.00 H new ATOM 0 HG2 GLU A 60 4.572 1.814 19.963 1.00 0.00 H new ATOM 0 HG3 GLU A 60 3.184 2.872 20.116 1.00 0.00 H new ATOM 931 N TYR A 61 4.918 1.800 15.226 1.00 0.00 N ATOM 932 CA TYR A 61 5.039 1.985 13.771 1.00 0.00 C ATOM 933 C TYR A 61 4.937 0.632 13.047 1.00 0.00 C ATOM 934 O TYR A 61 4.132 0.478 12.129 1.00 0.00 O ATOM 935 CB TYR A 61 6.355 2.714 13.451 1.00 0.00 C ATOM 936 CG TYR A 61 6.590 2.984 11.971 1.00 0.00 C ATOM 937 CD1 TYR A 61 7.235 2.017 11.180 1.00 0.00 C ATOM 938 CD2 TYR A 61 6.171 4.195 11.382 1.00 0.00 C ATOM 939 CE1 TYR A 61 7.471 2.264 9.815 1.00 0.00 C ATOM 940 CE2 TYR A 61 6.405 4.454 10.016 1.00 0.00 C ATOM 941 CZ TYR A 61 7.074 3.491 9.230 1.00 0.00 C ATOM 942 OH TYR A 61 7.360 3.742 7.923 1.00 0.00 O ATOM 0 H TYR A 61 5.720 2.144 15.753 1.00 0.00 H new ATOM 0 HA TYR A 61 4.217 2.603 13.411 1.00 0.00 H new ATOM 0 HB2 TYR A 61 6.368 3.664 13.986 1.00 0.00 H new ATOM 0 HB3 TYR A 61 7.185 2.121 13.834 1.00 0.00 H new ATOM 0 HD1 TYR A 61 7.550 1.083 11.621 1.00 0.00 H new ATOM 0 HD2 TYR A 61 5.664 4.934 11.985 1.00 0.00 H new ATOM 0 HE1 TYR A 61 7.958 1.513 9.210 1.00 0.00 H new ATOM 0 HE2 TYR A 61 6.075 5.383 9.574 1.00 0.00 H new ATOM 0 HH TYR A 61 7.418 4.710 7.781 1.00 0.00 H new ATOM 952 N GLN A 62 5.669 -0.385 13.513 1.00 0.00 N ATOM 953 CA GLN A 62 5.616 -1.733 12.945 1.00 0.00 C ATOM 954 C GLN A 62 4.219 -2.363 13.105 1.00 0.00 C ATOM 955 O GLN A 62 3.659 -2.819 12.112 1.00 0.00 O ATOM 956 CB GLN A 62 6.693 -2.630 13.584 1.00 0.00 C ATOM 957 CG GLN A 62 8.100 -2.374 13.032 1.00 0.00 C ATOM 958 CD GLN A 62 9.081 -3.438 13.517 1.00 0.00 C ATOM 959 OE1 GLN A 62 9.798 -3.259 14.495 1.00 0.00 O ATOM 960 NE2 GLN A 62 9.171 -4.566 12.851 1.00 0.00 N ATOM 0 H GLN A 62 6.316 -0.295 14.296 1.00 0.00 H new ATOM 0 HA GLN A 62 5.818 -1.650 11.877 1.00 0.00 H new ATOM 0 HB2 GLN A 62 6.698 -2.468 14.662 1.00 0.00 H new ATOM 0 HB3 GLN A 62 6.430 -3.675 13.420 1.00 0.00 H new ATOM 0 HG2 GLN A 62 8.072 -2.370 11.942 1.00 0.00 H new ATOM 0 HG3 GLN A 62 8.443 -1.388 13.345 1.00 0.00 H new ATOM 0 HE21 GLN A 62 8.579 -4.726 12.036 1.00 0.00 H new ATOM 0 HE22 GLN A 62 9.833 -5.283 13.149 1.00 0.00 H new ATOM 969 N LYS A 63 3.610 -2.337 14.304 1.00 0.00 N ATOM 970 CA LYS A 63 2.255 -2.887 14.539 1.00 0.00 C ATOM 971 C LYS A 63 1.174 -2.192 13.714 1.00 0.00 C ATOM 972 O LYS A 63 0.270 -2.856 13.211 1.00 0.00 O ATOM 973 CB LYS A 63 1.877 -2.806 16.028 1.00 0.00 C ATOM 974 CG LYS A 63 2.522 -3.932 16.849 1.00 0.00 C ATOM 975 CD LYS A 63 2.152 -3.881 18.337 1.00 0.00 C ATOM 976 CE LYS A 63 2.644 -2.591 19.003 1.00 0.00 C ATOM 977 NZ LYS A 63 2.559 -2.668 20.476 1.00 0.00 N ATOM 0 H LYS A 63 4.039 -1.936 15.138 1.00 0.00 H new ATOM 0 HA LYS A 63 2.301 -3.928 14.220 1.00 0.00 H new ATOM 0 HB2 LYS A 63 2.188 -1.841 16.429 1.00 0.00 H new ATOM 0 HB3 LYS A 63 0.793 -2.859 16.130 1.00 0.00 H new ATOM 0 HG2 LYS A 63 2.216 -4.894 16.438 1.00 0.00 H new ATOM 0 HG3 LYS A 63 3.606 -3.872 16.748 1.00 0.00 H new ATOM 0 HD2 LYS A 63 1.070 -3.956 18.445 1.00 0.00 H new ATOM 0 HD3 LYS A 63 2.584 -4.741 18.848 1.00 0.00 H new ATOM 0 HE2 LYS A 63 3.676 -2.400 18.708 1.00 0.00 H new ATOM 0 HE3 LYS A 63 2.050 -1.749 18.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 2.900 -1.777 20.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 1.571 -2.825 20.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 3.146 -3.456 20.817 1.00 0.00 H new ATOM 991 N THR A 64 1.254 -0.874 13.541 1.00 0.00 N ATOM 992 CA THR A 64 0.250 -0.132 12.759 1.00 0.00 C ATOM 993 C THR A 64 0.417 -0.390 11.262 1.00 0.00 C ATOM 994 O THR A 64 -0.576 -0.640 10.579 1.00 0.00 O ATOM 995 CB THR A 64 0.283 1.376 13.031 1.00 0.00 C ATOM 996 OG1 THR A 64 0.411 1.671 14.406 1.00 0.00 O ATOM 997 CG2 THR A 64 -1.010 2.045 12.565 1.00 0.00 C ATOM 0 H THR A 64 1.999 -0.294 13.928 1.00 0.00 H new ATOM 0 HA THR A 64 -0.722 -0.504 13.083 1.00 0.00 H new ATOM 0 HB THR A 64 1.148 1.752 12.484 1.00 0.00 H new ATOM 0 HG1 THR A 64 1.330 1.490 14.695 1.00 0.00 H new ATOM 0 HG21 THR A 64 -0.961 3.114 12.770 1.00 0.00 H new ATOM 0 HG22 THR A 64 -1.137 1.886 11.494 1.00 0.00 H new ATOM 0 HG23 THR A 64 -1.856 1.612 13.099 1.00 0.00 H new ATOM 1005 N MET A 65 1.662 -0.439 10.761 1.00 0.00 N ATOM 1006 CA MET A 65 1.948 -0.916 9.403 1.00 0.00 C ATOM 1007 C MET A 65 1.403 -2.338 9.201 1.00 0.00 C ATOM 1008 O MET A 65 0.645 -2.557 8.261 1.00 0.00 O ATOM 1009 CB MET A 65 3.457 -0.878 9.097 1.00 0.00 C ATOM 1010 CG MET A 65 4.020 0.493 8.724 1.00 0.00 C ATOM 1011 SD MET A 65 3.312 1.194 7.203 1.00 0.00 S ATOM 1012 CE MET A 65 4.470 2.551 6.880 1.00 0.00 C ATOM 0 H MET A 65 2.490 -0.151 11.282 1.00 0.00 H new ATOM 0 HA MET A 65 1.446 -0.243 8.708 1.00 0.00 H new ATOM 0 HB2 MET A 65 3.996 -1.247 9.969 1.00 0.00 H new ATOM 0 HB3 MET A 65 3.661 -1.570 8.280 1.00 0.00 H new ATOM 0 HG2 MET A 65 3.841 1.184 9.548 1.00 0.00 H new ATOM 0 HG3 MET A 65 5.100 0.411 8.605 1.00 0.00 H new ATOM 0 HE1 MET A 65 4.302 2.942 5.877 1.00 0.00 H new ATOM 0 HE2 MET A 65 4.313 3.345 7.610 1.00 0.00 H new ATOM 0 HE3 MET A 65 5.493 2.183 6.959 1.00 0.00 H new ATOM 1022 N LYS A 66 1.694 -3.285 10.106 1.00 0.00 N ATOM 1023 CA LYS A 66 1.184 -4.669 10.055 1.00 0.00 C ATOM 1024 C LYS A 66 -0.348 -4.696 10.022 1.00 0.00 C ATOM 1025 O LYS A 66 -0.924 -5.349 9.160 1.00 0.00 O ATOM 1026 CB LYS A 66 1.765 -5.481 11.226 1.00 0.00 C ATOM 1027 CG LYS A 66 1.924 -6.993 10.979 1.00 0.00 C ATOM 1028 CD LYS A 66 0.675 -7.776 10.548 1.00 0.00 C ATOM 1029 CE LYS A 66 -0.504 -7.702 11.531 1.00 0.00 C ATOM 1030 NZ LYS A 66 -0.253 -8.484 12.760 1.00 0.00 N ATOM 0 H LYS A 66 2.300 -3.110 10.908 1.00 0.00 H new ATOM 0 HA LYS A 66 1.515 -5.139 9.129 1.00 0.00 H new ATOM 0 HB2 LYS A 66 2.742 -5.069 11.480 1.00 0.00 H new ATOM 0 HB3 LYS A 66 1.123 -5.339 12.096 1.00 0.00 H new ATOM 0 HG2 LYS A 66 2.688 -7.130 10.214 1.00 0.00 H new ATOM 0 HG3 LYS A 66 2.305 -7.445 11.895 1.00 0.00 H new ATOM 0 HD2 LYS A 66 0.345 -7.402 9.579 1.00 0.00 H new ATOM 0 HD3 LYS A 66 0.949 -8.822 10.409 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -0.690 -6.661 11.796 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -1.406 -8.073 11.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -1.073 -8.406 13.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -0.101 -9.482 12.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 0.592 -8.114 13.240 1.00 0.00 H new ATOM 1044 N SER A 67 -1.018 -3.949 10.902 1.00 0.00 N ATOM 1045 CA SER A 67 -2.471 -3.898 11.011 1.00 0.00 C ATOM 1046 C SER A 67 -3.144 -3.410 9.723 1.00 0.00 C ATOM 1047 O SER A 67 -4.089 -4.052 9.252 1.00 0.00 O ATOM 1048 CB SER A 67 -2.826 -2.977 12.178 1.00 0.00 C ATOM 1049 OG SER A 67 -2.342 -3.489 13.410 1.00 0.00 O ATOM 0 H SER A 67 -0.547 -3.346 11.577 1.00 0.00 H new ATOM 0 HA SER A 67 -2.842 -4.908 11.184 1.00 0.00 H new ATOM 0 HB2 SER A 67 -2.404 -1.987 12.003 1.00 0.00 H new ATOM 0 HB3 SER A 67 -3.908 -2.857 12.232 1.00 0.00 H new ATOM 0 HG SER A 67 -1.381 -3.312 13.483 1.00 0.00 H new ATOM 1055 N LYS A 68 -2.627 -2.328 9.115 1.00 0.00 N ATOM 1056 CA LYS A 68 -3.152 -1.775 7.856 1.00 0.00 C ATOM 1057 C LYS A 68 -2.764 -2.614 6.634 1.00 0.00 C ATOM 1058 O LYS A 68 -3.593 -2.794 5.746 1.00 0.00 O ATOM 1059 CB LYS A 68 -2.716 -0.306 7.702 1.00 0.00 C ATOM 1060 CG LYS A 68 -3.675 0.524 6.822 1.00 0.00 C ATOM 1061 CD LYS A 68 -4.968 0.896 7.569 1.00 0.00 C ATOM 1062 CE LYS A 68 -5.814 1.923 6.808 1.00 0.00 C ATOM 1063 NZ LYS A 68 -7.017 2.301 7.588 1.00 0.00 N ATOM 0 H LYS A 68 -1.830 -1.811 9.485 1.00 0.00 H new ATOM 0 HA LYS A 68 -4.240 -1.812 7.907 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -2.651 0.152 8.689 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -1.716 -0.274 7.269 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -3.171 1.433 6.495 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -3.925 -0.042 5.925 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -5.559 -0.005 7.735 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -4.714 1.296 8.551 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -5.216 2.811 6.601 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -6.115 1.510 5.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -7.574 2.997 7.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -7.597 1.456 7.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -6.726 2.716 8.496 1.00 0.00 H new ATOM 1077 N ILE A 69 -1.556 -3.190 6.599 1.00 0.00 N ATOM 1078 CA ILE A 69 -1.154 -4.176 5.582 1.00 0.00 C ATOM 1079 C ILE A 69 -2.084 -5.390 5.636 1.00 0.00 C ATOM 1080 O ILE A 69 -2.581 -5.797 4.596 1.00 0.00 O ATOM 1081 CB ILE A 69 0.343 -4.563 5.723 1.00 0.00 C ATOM 1082 CG1 ILE A 69 1.218 -3.375 5.258 1.00 0.00 C ATOM 1083 CG2 ILE A 69 0.698 -5.823 4.905 1.00 0.00 C ATOM 1084 CD1 ILE A 69 2.719 -3.529 5.543 1.00 0.00 C ATOM 0 H ILE A 69 -0.824 -2.985 7.279 1.00 0.00 H new ATOM 0 HA ILE A 69 -1.255 -3.725 4.595 1.00 0.00 H new ATOM 0 HB ILE A 69 0.535 -4.792 6.771 1.00 0.00 H new ATOM 0 HG12 ILE A 69 1.079 -3.237 4.186 1.00 0.00 H new ATOM 0 HG13 ILE A 69 0.862 -2.467 5.745 1.00 0.00 H new ATOM 0 HG21 ILE A 69 1.755 -6.055 5.035 1.00 0.00 H new ATOM 0 HG22 ILE A 69 0.097 -6.663 5.252 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.493 -5.642 3.850 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.250 -2.648 5.182 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.877 -3.633 6.616 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.097 -4.415 5.033 1.00 0.00 H new ATOM 1096 N ASP A 70 -2.408 -5.924 6.813 1.00 0.00 N ATOM 1097 CA ASP A 70 -3.330 -7.055 6.963 1.00 0.00 C ATOM 1098 C ASP A 70 -4.772 -6.726 6.520 1.00 0.00 C ATOM 1099 O ASP A 70 -5.427 -7.546 5.864 1.00 0.00 O ATOM 1100 CB ASP A 70 -3.273 -7.528 8.419 1.00 0.00 C ATOM 1101 CG ASP A 70 -4.204 -8.711 8.655 1.00 0.00 C ATOM 1102 OD1 ASP A 70 -4.009 -9.762 8.000 1.00 0.00 O ATOM 1103 OD2 ASP A 70 -5.142 -8.580 9.473 1.00 0.00 O ATOM 0 H ASP A 70 -2.036 -5.582 7.699 1.00 0.00 H new ATOM 0 HA ASP A 70 -3.012 -7.857 6.297 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -2.251 -7.811 8.672 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -3.550 -6.707 9.081 1.00 0.00 H new ATOM 1108 N ALA A 71 -5.245 -5.506 6.792 1.00 0.00 N ATOM 1109 CA ALA A 71 -6.507 -4.999 6.248 1.00 0.00 C ATOM 1110 C ALA A 71 -6.453 -4.860 4.712 1.00 0.00 C ATOM 1111 O ALA A 71 -7.410 -5.215 4.022 1.00 0.00 O ATOM 1112 CB ALA A 71 -6.841 -3.668 6.932 1.00 0.00 C ATOM 0 H ALA A 71 -4.762 -4.842 7.397 1.00 0.00 H new ATOM 0 HA ALA A 71 -7.302 -5.716 6.456 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -7.779 -3.280 6.535 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -6.939 -3.825 8.006 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -6.043 -2.951 6.742 1.00 0.00 H new ATOM 1118 N MET A 72 -5.324 -4.427 4.145 1.00 0.00 N ATOM 1119 CA MET A 72 -5.142 -4.291 2.695 1.00 0.00 C ATOM 1120 C MET A 72 -4.945 -5.636 1.977 1.00 0.00 C ATOM 1121 O MET A 72 -5.526 -5.833 0.912 1.00 0.00 O ATOM 1122 CB MET A 72 -4.020 -3.287 2.388 1.00 0.00 C ATOM 1123 CG MET A 72 -4.469 -1.846 2.662 1.00 0.00 C ATOM 1124 SD MET A 72 -5.767 -1.265 1.532 1.00 0.00 S ATOM 1125 CE MET A 72 -6.178 0.322 2.303 1.00 0.00 C ATOM 0 H MET A 72 -4.501 -4.158 4.684 1.00 0.00 H new ATOM 0 HA MET A 72 -6.072 -3.893 2.288 1.00 0.00 H new ATOM 0 HB2 MET A 72 -3.145 -3.519 2.996 1.00 0.00 H new ATOM 0 HB3 MET A 72 -3.718 -3.384 1.345 1.00 0.00 H new ATOM 0 HG2 MET A 72 -4.833 -1.776 3.687 1.00 0.00 H new ATOM 0 HG3 MET A 72 -3.607 -1.184 2.583 1.00 0.00 H new ATOM 0 HE1 MET A 72 -6.965 0.812 1.729 1.00 0.00 H new ATOM 0 HE2 MET A 72 -6.524 0.152 3.323 1.00 0.00 H new ATOM 0 HE3 MET A 72 -5.293 0.958 2.322 1.00 0.00 H new ATOM 1135 N ARG A 73 -4.250 -6.610 2.584 1.00 0.00 N ATOM 1136 CA ARG A 73 -4.205 -8.015 2.135 1.00 0.00 C ATOM 1137 C ARG A 73 -5.614 -8.596 2.069 1.00 0.00 C ATOM 1138 O ARG A 73 -6.015 -9.109 1.030 1.00 0.00 O ATOM 1139 CB ARG A 73 -3.353 -8.876 3.086 1.00 0.00 C ATOM 1140 CG ARG A 73 -1.836 -8.641 2.999 1.00 0.00 C ATOM 1141 CD ARG A 73 -1.066 -9.721 3.774 1.00 0.00 C ATOM 1142 NE ARG A 73 -1.477 -9.835 5.188 1.00 0.00 N ATOM 1143 CZ ARG A 73 -0.703 -9.991 6.247 1.00 0.00 C ATOM 1144 NH1 ARG A 73 0.595 -9.940 6.207 1.00 0.00 N ATOM 1145 NH2 ARG A 73 -1.238 -10.208 7.410 1.00 0.00 N ATOM 0 H ARG A 73 -3.690 -6.442 3.420 1.00 0.00 H new ATOM 0 HA ARG A 73 -3.753 -8.029 1.143 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -3.676 -8.686 4.110 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -3.554 -9.927 2.878 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -1.523 -8.645 1.955 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -1.593 -7.657 3.401 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -1.211 -10.683 3.283 1.00 0.00 H new ATOM 0 HD3 ARG A 73 0.000 -9.498 3.730 1.00 0.00 H new ATOM 0 HE ARG A 73 -2.480 -9.788 5.369 1.00 0.00 H new ATOM 0 HH11 ARG A 73 1.072 -9.771 5.321 1.00 0.00 H new ATOM 0 HH12 ARG A 73 1.137 -10.069 7.061 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -2.253 -10.258 7.503 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -0.644 -10.329 8.230 1.00 0.00 H new ATOM 1159 N SER A 74 -6.391 -8.405 3.137 1.00 0.00 N ATOM 1160 CA SER A 74 -7.817 -8.767 3.182 1.00 0.00 C ATOM 1161 C SER A 74 -8.633 -8.013 2.116 1.00 0.00 C ATOM 1162 O SER A 74 -9.533 -8.576 1.490 1.00 0.00 O ATOM 1163 CB SER A 74 -8.397 -8.514 4.583 1.00 0.00 C ATOM 1164 OG SER A 74 -7.628 -9.148 5.600 1.00 0.00 O ATOM 0 H SER A 74 -6.049 -7.991 4.005 1.00 0.00 H new ATOM 0 HA SER A 74 -7.890 -9.831 2.959 1.00 0.00 H new ATOM 0 HB2 SER A 74 -8.434 -7.441 4.772 1.00 0.00 H new ATOM 0 HB3 SER A 74 -9.423 -8.880 4.622 1.00 0.00 H new ATOM 0 HG SER A 74 -6.787 -8.661 5.726 1.00 0.00 H new ATOM 1170 N THR A 75 -8.283 -6.756 1.827 1.00 0.00 N ATOM 1171 CA THR A 75 -8.931 -5.946 0.785 1.00 0.00 C ATOM 1172 C THR A 75 -8.635 -6.468 -0.629 1.00 0.00 C ATOM 1173 O THR A 75 -9.552 -6.440 -1.444 1.00 0.00 O ATOM 1174 CB THR A 75 -8.598 -4.451 0.946 1.00 0.00 C ATOM 1175 OG1 THR A 75 -9.033 -4.009 2.219 1.00 0.00 O ATOM 1176 CG2 THR A 75 -9.297 -3.546 -0.065 1.00 0.00 C ATOM 0 H THR A 75 -7.534 -6.265 2.314 1.00 0.00 H new ATOM 0 HA THR A 75 -10.008 -6.047 0.921 1.00 0.00 H new ATOM 0 HB THR A 75 -7.520 -4.379 0.801 1.00 0.00 H new ATOM 0 HG1 THR A 75 -8.403 -4.314 2.904 1.00 0.00 H new ATOM 0 HG21 THR A 75 -9.011 -2.510 0.115 1.00 0.00 H new ATOM 0 HG22 THR A 75 -9.003 -3.833 -1.075 1.00 0.00 H new ATOM 0 HG23 THR A 75 -10.377 -3.648 0.041 1.00 0.00 H new ATOM 1184 N ARG A 76 -7.462 -7.065 -0.923 1.00 0.00 N ATOM 1185 CA ARG A 76 -7.183 -7.745 -2.222 1.00 0.00 C ATOM 1186 C ARG A 76 -8.283 -8.725 -2.597 1.00 0.00 C ATOM 1187 O ARG A 76 -8.791 -8.732 -3.710 1.00 0.00 O ATOM 1188 CB ARG A 76 -5.895 -8.588 -2.172 1.00 0.00 C ATOM 1189 CG ARG A 76 -4.646 -7.785 -1.851 1.00 0.00 C ATOM 1190 CD ARG A 76 -3.386 -8.642 -2.019 1.00 0.00 C ATOM 1191 NE ARG A 76 -3.313 -9.701 -0.990 1.00 0.00 N ATOM 1192 CZ ARG A 76 -2.220 -10.241 -0.479 1.00 0.00 C ATOM 1193 NH1 ARG A 76 -1.015 -9.921 -0.843 1.00 0.00 N ATOM 1194 NH2 ARG A 76 -2.311 -11.132 0.454 1.00 0.00 N ATOM 0 H ARG A 76 -6.677 -7.094 -0.273 1.00 0.00 H new ATOM 0 HA ARG A 76 -7.101 -6.933 -2.945 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -6.014 -9.371 -1.423 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -5.759 -9.084 -3.133 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -4.589 -6.916 -2.506 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -4.702 -7.411 -0.829 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -3.382 -9.095 -3.010 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -2.502 -8.008 -1.954 1.00 0.00 H new ATOM 0 HE ARG A 76 -4.202 -10.053 -0.636 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -0.871 -9.214 -1.564 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -0.213 -10.377 -0.408 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -3.228 -11.419 0.797 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -1.466 -11.547 0.847 1.00 0.00 H new ATOM 1208 N ASP A 77 -8.644 -9.528 -1.610 1.00 0.00 N ATOM 1209 CA ASP A 77 -9.617 -10.621 -1.719 1.00 0.00 C ATOM 1210 C ASP A 77 -11.033 -10.071 -1.925 1.00 0.00 C ATOM 1211 O ASP A 77 -11.770 -10.533 -2.798 1.00 0.00 O ATOM 1212 CB ASP A 77 -9.523 -11.503 -0.467 1.00 0.00 C ATOM 1213 CG ASP A 77 -10.432 -12.731 -0.548 1.00 0.00 C ATOM 1214 OD1 ASP A 77 -10.132 -13.649 -1.344 1.00 0.00 O ATOM 1215 OD2 ASP A 77 -11.414 -12.812 0.225 1.00 0.00 O ATOM 0 H ASP A 77 -8.256 -9.439 -0.671 1.00 0.00 H new ATOM 0 HA ASP A 77 -9.387 -11.232 -2.592 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -8.491 -11.827 -0.331 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -9.791 -10.914 0.410 1.00 0.00 H new ATOM 1220 N LYS A 78 -11.384 -9.004 -1.197 1.00 0.00 N ATOM 1221 CA LYS A 78 -12.671 -8.317 -1.359 1.00 0.00 C ATOM 1222 C LYS A 78 -12.813 -7.693 -2.728 1.00 0.00 C ATOM 1223 O LYS A 78 -13.739 -8.005 -3.471 1.00 0.00 O ATOM 1224 CB LYS A 78 -12.814 -7.230 -0.282 1.00 0.00 C ATOM 1225 CG LYS A 78 -14.277 -6.819 -0.054 1.00 0.00 C ATOM 1226 CD LYS A 78 -14.365 -5.466 0.672 1.00 0.00 C ATOM 1227 CE LYS A 78 -15.800 -4.963 0.890 1.00 0.00 C ATOM 1228 NZ LYS A 78 -16.578 -4.912 -0.370 1.00 0.00 N ATOM 0 H LYS A 78 -10.785 -8.593 -0.481 1.00 0.00 H new ATOM 0 HA LYS A 78 -13.459 -9.062 -1.251 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -12.391 -7.593 0.655 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -12.235 -6.354 -0.575 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -14.794 -6.756 -1.012 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -14.786 -7.584 0.533 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -13.871 -5.552 1.640 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -13.814 -4.721 0.098 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -16.307 -5.616 1.601 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -15.770 -3.969 1.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -17.201 -4.079 -0.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -15.926 -4.847 -1.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -17.153 -5.774 -0.458 1.00 0.00 H new ATOM 1242 N ARG A 79 -11.808 -6.915 -3.106 1.00 0.00 N ATOM 1243 CA ARG A 79 -11.686 -6.319 -4.442 1.00 0.00 C ATOM 1244 C ARG A 79 -11.623 -7.380 -5.547 1.00 0.00 C ATOM 1245 O ARG A 79 -11.965 -7.063 -6.683 1.00 0.00 O ATOM 1246 CB ARG A 79 -10.483 -5.360 -4.494 1.00 0.00 C ATOM 1247 CG ARG A 79 -10.593 -4.184 -3.506 1.00 0.00 C ATOM 1248 CD ARG A 79 -11.820 -3.287 -3.741 1.00 0.00 C ATOM 1249 NE ARG A 79 -11.737 -2.048 -2.943 1.00 0.00 N ATOM 1250 CZ ARG A 79 -12.517 -1.656 -1.949 1.00 0.00 C ATOM 1251 NH1 ARG A 79 -13.575 -2.315 -1.570 1.00 0.00 N ATOM 1252 NH2 ARG A 79 -12.241 -0.560 -1.303 1.00 0.00 N ATOM 0 H ARG A 79 -11.036 -6.672 -2.485 1.00 0.00 H new ATOM 0 HA ARG A 79 -12.589 -5.739 -4.632 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -9.572 -5.920 -4.280 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -10.385 -4.966 -5.506 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -10.632 -4.578 -2.490 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -9.691 -3.576 -3.578 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -11.893 -3.037 -4.799 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -12.727 -3.831 -3.479 1.00 0.00 H new ATOM 0 HE ARG A 79 -10.980 -1.411 -3.190 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -13.836 -3.178 -2.047 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -14.142 -1.968 -0.797 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -11.425 -0.006 -1.564 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -12.841 -0.255 -0.536 1.00 0.00 H new ATOM 1266 N LYS A 80 -11.271 -8.637 -5.240 1.00 0.00 N ATOM 1267 CA LYS A 80 -11.292 -9.743 -6.222 1.00 0.00 C ATOM 1268 C LYS A 80 -12.703 -10.289 -6.415 1.00 0.00 C ATOM 1269 O LYS A 80 -13.165 -10.433 -7.547 1.00 0.00 O ATOM 1270 CB LYS A 80 -10.249 -10.817 -5.866 1.00 0.00 C ATOM 1271 CG LYS A 80 -10.028 -11.796 -7.034 1.00 0.00 C ATOM 1272 CD LYS A 80 -8.862 -12.768 -6.798 1.00 0.00 C ATOM 1273 CE LYS A 80 -7.505 -12.049 -6.816 1.00 0.00 C ATOM 1274 NZ LYS A 80 -6.390 -12.985 -6.560 1.00 0.00 N ATOM 0 H LYS A 80 -10.964 -8.920 -4.309 1.00 0.00 H new ATOM 0 HA LYS A 80 -10.997 -9.353 -7.196 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -9.305 -10.338 -5.608 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -10.578 -11.368 -4.985 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -10.941 -12.368 -7.198 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -9.840 -11.228 -7.945 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -8.995 -13.269 -5.839 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -8.873 -13.542 -7.566 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -7.361 -11.566 -7.783 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -7.500 -11.261 -6.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -5.489 -12.466 -6.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -6.515 -13.427 -5.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -6.380 -13.722 -7.293 1.00 0.00 H new ATOM 1288 N ARG A 81 -13.439 -10.480 -5.319 1.00 0.00 N ATOM 1289 CA ARG A 81 -14.843 -10.927 -5.314 1.00 0.00 C ATOM 1290 C ARG A 81 -15.814 -9.858 -5.819 1.00 0.00 C ATOM 1291 O ARG A 81 -16.820 -10.176 -6.453 1.00 0.00 O ATOM 1292 CB ARG A 81 -15.203 -11.454 -3.915 1.00 0.00 C ATOM 1293 CG ARG A 81 -14.445 -12.750 -3.568 1.00 0.00 C ATOM 1294 CD ARG A 81 -14.752 -13.284 -2.159 1.00 0.00 C ATOM 1295 NE ARG A 81 -14.016 -12.568 -1.097 1.00 0.00 N ATOM 1296 CZ ARG A 81 -14.460 -11.625 -0.288 1.00 0.00 C ATOM 1297 NH1 ARG A 81 -15.642 -11.090 -0.394 1.00 0.00 N ATOM 1298 NH2 ARG A 81 -13.683 -11.201 0.659 1.00 0.00 N ATOM 0 H ARG A 81 -13.069 -10.325 -4.381 1.00 0.00 H new ATOM 0 HA ARG A 81 -14.947 -11.744 -6.028 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -14.974 -10.691 -3.171 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -16.276 -11.638 -3.863 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -14.698 -13.516 -4.301 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -13.374 -12.568 -3.653 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -15.822 -13.201 -1.970 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -14.502 -14.344 -2.116 1.00 0.00 H new ATOM 0 HE ARG A 81 -13.040 -12.837 -0.973 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -16.277 -11.397 -1.131 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -15.933 -10.364 0.260 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -12.749 -11.596 0.767 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -14.006 -10.473 1.296 1.00 0.00 H new ATOM 1312 N GLU A 82 -15.441 -8.597 -5.648 1.00 0.00 N ATOM 1313 CA GLU A 82 -16.019 -7.413 -6.303 1.00 0.00 C ATOM 1314 C GLU A 82 -15.656 -7.307 -7.798 1.00 0.00 C ATOM 1315 O GLU A 82 -16.326 -6.566 -8.520 1.00 0.00 O ATOM 1316 CB GLU A 82 -15.543 -6.121 -5.611 1.00 0.00 C ATOM 1317 CG GLU A 82 -16.207 -5.822 -4.260 1.00 0.00 C ATOM 1318 CD GLU A 82 -15.751 -4.458 -3.717 1.00 0.00 C ATOM 1319 OE1 GLU A 82 -16.085 -3.416 -4.333 1.00 0.00 O ATOM 1320 OE2 GLU A 82 -15.089 -4.404 -2.654 1.00 0.00 O ATOM 0 H GLU A 82 -14.683 -8.350 -5.012 1.00 0.00 H new ATOM 0 HA GLU A 82 -17.099 -7.531 -6.216 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -14.465 -6.183 -5.462 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -15.724 -5.281 -6.281 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -17.291 -5.829 -4.373 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -15.956 -6.605 -3.545 1.00 0.00 H new ATOM 1327 N SER A 83 -14.615 -8.007 -8.273 1.00 0.00 N ATOM 1328 CA SER A 83 -14.160 -7.963 -9.684 1.00 0.00 C ATOM 1329 C SER A 83 -14.652 -9.129 -10.553 1.00 0.00 C ATOM 1330 O SER A 83 -14.518 -9.060 -11.774 1.00 0.00 O ATOM 1331 CB SER A 83 -12.638 -7.817 -9.785 1.00 0.00 C ATOM 1332 OG SER A 83 -12.251 -6.571 -9.237 1.00 0.00 O ATOM 0 H SER A 83 -14.055 -8.628 -7.688 1.00 0.00 H new ATOM 0 HA SER A 83 -14.631 -7.070 -10.095 1.00 0.00 H new ATOM 0 HB2 SER A 83 -12.147 -8.631 -9.251 1.00 0.00 H new ATOM 0 HB3 SER A 83 -12.323 -7.883 -10.826 1.00 0.00 H new ATOM 0 HG SER A 83 -11.924 -6.703 -8.323 1.00 0.00 H new ATOM 1338 N VAL A 84 -15.281 -10.147 -9.952 1.00 0.00 N ATOM 1339 CA VAL A 84 -16.149 -11.176 -10.579 1.00 0.00 C ATOM 1340 C VAL A 84 -15.494 -12.151 -11.580 1.00 0.00 C ATOM 1341 O VAL A 84 -16.008 -13.258 -11.757 1.00 0.00 O ATOM 1342 CB VAL A 84 -17.423 -10.505 -11.156 1.00 0.00 C ATOM 1343 CG1 VAL A 84 -18.447 -11.493 -11.725 1.00 0.00 C ATOM 1344 CG2 VAL A 84 -18.149 -9.701 -10.066 1.00 0.00 C ATOM 0 H VAL A 84 -15.197 -10.292 -8.946 1.00 0.00 H new ATOM 0 HA VAL A 84 -16.405 -11.850 -9.762 1.00 0.00 H new ATOM 0 HB VAL A 84 -17.059 -9.873 -11.966 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -19.308 -10.945 -12.108 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -17.991 -12.064 -12.534 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -18.772 -12.174 -10.938 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -19.040 -9.237 -10.489 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -18.438 -10.368 -9.253 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -17.485 -8.927 -9.682 1.00 0.00 H new ATOM 1354 N GLY A 85 -14.354 -11.826 -12.193 1.00 0.00 N ATOM 1355 CA GLY A 85 -13.721 -12.618 -13.263 1.00 0.00 C ATOM 1356 C GLY A 85 -13.253 -14.038 -12.900 1.00 0.00 C ATOM 1357 O GLY A 85 -12.886 -14.792 -13.805 1.00 0.00 O ATOM 0 H GLY A 85 -13.828 -10.985 -11.957 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -14.427 -12.695 -14.090 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -12.859 -12.061 -13.631 1.00 0.00 H new ATOM 1361 N SER A 86 -13.314 -14.413 -11.614 1.00 0.00 N ATOM 1362 CA SER A 86 -13.278 -15.789 -11.066 1.00 0.00 C ATOM 1363 C SER A 86 -12.249 -16.730 -11.699 1.00 0.00 C ATOM 1364 O SER A 86 -12.613 -17.603 -12.521 1.00 0.00 O ATOM 1365 CB SER A 86 -14.688 -16.391 -11.048 1.00 0.00 C ATOM 1366 OG SER A 86 -15.555 -15.518 -10.346 1.00 0.00 O ATOM 1367 OXT SER A 86 -11.066 -16.633 -11.302 1.00 0.00 O ATOM 0 H SER A 86 -13.396 -13.718 -10.872 1.00 0.00 H new ATOM 0 HA SER A 86 -12.917 -15.685 -10.043 1.00 0.00 H new ATOM 0 HB2 SER A 86 -15.047 -16.539 -12.067 1.00 0.00 H new ATOM 0 HB3 SER A 86 -14.673 -17.371 -10.570 1.00 0.00 H new ATOM 0 HG SER A 86 -15.779 -14.752 -10.915 1.00 0.00 H new TER 1373 SER A 86