USER MOD reduce.3.24.130724 H: found=0, std=0, add=507, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 420 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 14 MET CE :methyl 168:sc= -5.96! (180deg=-4.12!) USER MOD Set 1.2: A 33 LYS NZ :NH3+ -160:sc=1.48e-05 (180deg=0) USER MOD Set 1.3: A 34 HIS : no HD1:sc= -5.17! C(o=-11!,f=-13!) USER MOD Set 2.1: A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 63 SER OG : rot 71:sc= 1.19 USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 TYR OH : rot -47:sc= -0.13 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 164:sc= 0.0336 (180deg=0.0065) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.15 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot -120:sc= -0.0236 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot -140:sc= -3.45! USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 4.309 9.019 11.355 1.00 0.00 N ATOM 2 CA SER A 1 4.852 7.906 12.114 1.00 0.00 C ATOM 3 C SER A 1 6.039 7.293 11.368 1.00 0.00 C ATOM 4 O SER A 1 5.886 6.798 10.252 1.00 0.00 O ATOM 5 CB SER A 1 3.784 6.842 12.374 1.00 0.00 C ATOM 6 OG SER A 1 4.332 5.665 12.959 1.00 0.00 O ATOM 0 H1 SER A 1 3.503 9.429 11.869 1.00 0.00 H new ATOM 0 H2 SER A 1 5.044 9.744 11.228 1.00 0.00 H new ATOM 0 H3 SER A 1 3.990 8.682 10.424 1.00 0.00 H new ATOM 0 HA SER A 1 5.192 8.284 13.078 1.00 0.00 H new ATOM 0 HB2 SER A 1 3.018 7.251 13.033 1.00 0.00 H new ATOM 0 HB3 SER A 1 3.293 6.585 11.435 1.00 0.00 H new ATOM 0 HG SER A 1 3.617 5.012 13.110 1.00 0.00 H new ATOM 11 N ASP A 2 7.195 7.348 12.013 1.00 0.00 N ATOM 12 CA ASP A 2 8.407 6.804 11.424 1.00 0.00 C ATOM 13 C ASP A 2 8.183 5.333 11.072 1.00 0.00 C ATOM 14 O ASP A 2 8.703 4.844 10.069 1.00 0.00 O ATOM 15 CB ASP A 2 9.579 6.882 12.405 1.00 0.00 C ATOM 16 CG ASP A 2 9.600 8.130 13.290 1.00 0.00 C ATOM 17 OD1 ASP A 2 9.559 9.237 12.711 1.00 0.00 O ATOM 18 OD2 ASP A 2 9.656 7.948 14.526 1.00 0.00 O ATOM 0 H ASP A 2 7.318 7.761 12.938 1.00 0.00 H new ATOM 0 HA ASP A 2 8.641 7.389 10.535 1.00 0.00 H new ATOM 0 HB2 ASP A 2 9.556 6.001 13.046 1.00 0.00 H new ATOM 0 HB3 ASP A 2 10.510 6.840 11.839 1.00 0.00 H new ATOM 22 N ASP A 3 7.407 4.667 11.915 1.00 0.00 N ATOM 23 CA ASP A 3 7.108 3.260 11.704 1.00 0.00 C ATOM 24 C ASP A 3 6.072 3.126 10.587 1.00 0.00 C ATOM 25 O ASP A 3 5.043 2.475 10.763 1.00 0.00 O ATOM 26 CB ASP A 3 6.523 2.627 12.968 1.00 0.00 C ATOM 27 CG ASP A 3 6.709 1.113 13.078 1.00 0.00 C ATOM 28 OD1 ASP A 3 6.330 0.423 12.106 1.00 0.00 O ATOM 29 OD2 ASP A 3 7.225 0.677 14.129 1.00 0.00 O ATOM 0 H ASP A 3 6.977 5.075 12.745 1.00 0.00 H new ATOM 0 HA ASP A 3 8.037 2.753 11.442 1.00 0.00 H new ATOM 0 HB2 ASP A 3 6.981 3.098 13.838 1.00 0.00 H new ATOM 0 HB3 ASP A 3 5.457 2.851 13.008 1.00 0.00 H new ATOM 33 N LYS A 4 6.379 3.752 9.459 1.00 0.00 N ATOM 34 CA LYS A 4 5.488 3.710 8.313 1.00 0.00 C ATOM 35 C LYS A 4 6.020 4.643 7.224 1.00 0.00 C ATOM 36 O LYS A 4 5.858 4.372 6.036 1.00 0.00 O ATOM 37 CB LYS A 4 4.051 4.020 8.740 1.00 0.00 C ATOM 38 CG LYS A 4 3.092 2.923 8.271 1.00 0.00 C ATOM 39 CD LYS A 4 3.055 1.763 9.269 1.00 0.00 C ATOM 40 CE LYS A 4 1.917 0.795 8.941 1.00 0.00 C ATOM 41 NZ LYS A 4 1.447 0.115 10.169 1.00 0.00 N ATOM 0 H LYS A 4 7.233 4.291 9.315 1.00 0.00 H new ATOM 0 HA LYS A 4 5.461 2.706 7.888 1.00 0.00 H new ATOM 0 HB2 LYS A 4 4.002 4.112 9.825 1.00 0.00 H new ATOM 0 HB3 LYS A 4 3.743 4.980 8.325 1.00 0.00 H new ATOM 0 HG2 LYS A 4 2.091 3.337 8.152 1.00 0.00 H new ATOM 0 HG3 LYS A 4 3.404 2.556 7.293 1.00 0.00 H new ATOM 0 HD2 LYS A 4 4.006 1.231 9.250 1.00 0.00 H new ATOM 0 HD3 LYS A 4 2.927 2.152 10.279 1.00 0.00 H new ATOM 0 HE2 LYS A 4 1.092 1.337 8.480 1.00 0.00 H new ATOM 0 HE3 LYS A 4 2.258 0.056 8.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 0.674 -0.539 9.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 2.233 -0.418 10.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 1.103 0.824 10.848 1.00 0.00 H new ATOM 51 N ILE A 5 6.645 5.723 7.669 1.00 0.00 N ATOM 52 CA ILE A 5 7.203 6.698 6.747 1.00 0.00 C ATOM 53 C ILE A 5 7.860 5.968 5.574 1.00 0.00 C ATOM 54 O ILE A 5 7.824 6.446 4.442 1.00 0.00 O ATOM 55 CB ILE A 5 8.146 7.653 7.483 1.00 0.00 C ATOM 56 CG1 ILE A 5 8.063 9.064 6.897 1.00 0.00 C ATOM 57 CG2 ILE A 5 9.579 7.116 7.484 1.00 0.00 C ATOM 58 CD1 ILE A 5 9.043 9.233 5.734 1.00 0.00 C ATOM 0 H ILE A 5 6.777 5.945 8.656 1.00 0.00 H new ATOM 0 HA ILE A 5 6.413 7.324 6.331 1.00 0.00 H new ATOM 0 HB ILE A 5 7.825 7.716 8.523 1.00 0.00 H new ATOM 0 HG12 ILE A 5 7.047 9.260 6.553 1.00 0.00 H new ATOM 0 HG13 ILE A 5 8.284 9.797 7.673 1.00 0.00 H new ATOM 0 HG21 ILE A 5 10.228 7.813 8.013 1.00 0.00 H new ATOM 0 HG22 ILE A 5 9.604 6.147 7.983 1.00 0.00 H new ATOM 0 HG23 ILE A 5 9.927 7.005 6.457 1.00 0.00 H new ATOM 0 HD11 ILE A 5 8.964 10.244 5.336 1.00 0.00 H new ATOM 0 HD12 ILE A 5 10.060 9.061 6.087 1.00 0.00 H new ATOM 0 HD13 ILE A 5 8.804 8.514 4.950 1.00 0.00 H new ATOM 69 N GLY A 6 8.445 4.821 5.887 1.00 0.00 N ATOM 70 CA GLY A 6 9.109 4.019 4.873 1.00 0.00 C ATOM 71 C GLY A 6 8.093 3.389 3.919 1.00 0.00 C ATOM 72 O GLY A 6 8.096 3.677 2.723 1.00 0.00 O ATOM 0 H GLY A 6 8.473 4.428 6.828 1.00 0.00 H new ATOM 0 HA2 GLY A 6 9.804 4.642 4.310 1.00 0.00 H new ATOM 0 HA3 GLY A 6 9.698 3.236 5.351 1.00 0.00 H new ATOM 76 N LEU A 7 7.245 2.541 4.484 1.00 0.00 N ATOM 77 CA LEU A 7 6.225 1.868 3.699 1.00 0.00 C ATOM 78 C LEU A 7 5.421 2.907 2.916 1.00 0.00 C ATOM 79 O LEU A 7 4.975 2.641 1.802 1.00 0.00 O ATOM 80 CB LEU A 7 5.365 0.972 4.593 1.00 0.00 C ATOM 81 CG LEU A 7 5.627 -0.532 4.486 1.00 0.00 C ATOM 82 CD1 LEU A 7 7.081 -0.861 4.829 1.00 0.00 C ATOM 83 CD2 LEU A 7 4.642 -1.322 5.349 1.00 0.00 C ATOM 0 H LEU A 7 7.244 2.305 5.476 1.00 0.00 H new ATOM 0 HA LEU A 7 6.685 1.203 2.968 1.00 0.00 H new ATOM 0 HB2 LEU A 7 5.516 1.274 5.629 1.00 0.00 H new ATOM 0 HB3 LEU A 7 4.317 1.156 4.357 1.00 0.00 H new ATOM 0 HG LEU A 7 5.464 -0.835 3.452 1.00 0.00 H new ATOM 0 HD11 LEU A 7 7.240 -1.936 4.745 1.00 0.00 H new ATOM 0 HD12 LEU A 7 7.744 -0.341 4.138 1.00 0.00 H new ATOM 0 HD13 LEU A 7 7.296 -0.541 5.849 1.00 0.00 H new ATOM 0 HD21 LEU A 7 4.850 -2.388 5.255 1.00 0.00 H new ATOM 0 HD22 LEU A 7 4.749 -1.022 6.391 1.00 0.00 H new ATOM 0 HD23 LEU A 7 3.624 -1.120 5.016 1.00 0.00 H new ATOM 94 N LYS A 8 5.261 4.070 3.530 1.00 0.00 N ATOM 95 CA LYS A 8 4.519 5.152 2.905 1.00 0.00 C ATOM 96 C LYS A 8 5.325 5.703 1.727 1.00 0.00 C ATOM 97 O LYS A 8 4.766 6.000 0.673 1.00 0.00 O ATOM 98 CB LYS A 8 4.141 6.211 3.942 1.00 0.00 C ATOM 99 CG LYS A 8 3.336 7.343 3.300 1.00 0.00 C ATOM 100 CD LYS A 8 4.155 8.635 3.243 1.00 0.00 C ATOM 101 CE LYS A 8 3.638 9.656 4.259 1.00 0.00 C ATOM 102 NZ LYS A 8 3.020 10.808 3.566 1.00 0.00 N ATOM 0 H LYS A 8 5.633 4.287 4.455 1.00 0.00 H new ATOM 0 HA LYS A 8 3.576 4.784 2.501 1.00 0.00 H new ATOM 0 HB2 LYS A 8 3.557 5.752 4.740 1.00 0.00 H new ATOM 0 HB3 LYS A 8 5.044 6.616 4.400 1.00 0.00 H new ATOM 0 HG2 LYS A 8 3.035 7.054 2.293 1.00 0.00 H new ATOM 0 HG3 LYS A 8 2.422 7.512 3.869 1.00 0.00 H new ATOM 0 HD2 LYS A 8 5.203 8.415 3.444 1.00 0.00 H new ATOM 0 HD3 LYS A 8 4.105 9.058 2.240 1.00 0.00 H new ATOM 0 HE2 LYS A 8 2.908 9.185 4.917 1.00 0.00 H new ATOM 0 HE3 LYS A 8 4.459 10.000 4.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 2.674 11.492 4.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 3.727 11.266 2.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 2.224 10.477 2.985 1.00 0.00 H new ATOM 112 N VAL A 9 6.627 5.823 1.946 1.00 0.00 N ATOM 113 CA VAL A 9 7.515 6.333 0.916 1.00 0.00 C ATOM 114 C VAL A 9 7.370 5.480 -0.345 1.00 0.00 C ATOM 115 O VAL A 9 7.144 6.008 -1.433 1.00 0.00 O ATOM 116 CB VAL A 9 8.951 6.384 1.441 1.00 0.00 C ATOM 117 CG1 VAL A 9 9.952 6.508 0.291 1.00 0.00 C ATOM 118 CG2 VAL A 9 9.127 7.523 2.447 1.00 0.00 C ATOM 0 H VAL A 9 7.087 5.576 2.822 1.00 0.00 H new ATOM 0 HA VAL A 9 7.244 7.355 0.650 1.00 0.00 H new ATOM 0 HB VAL A 9 9.151 5.446 1.959 1.00 0.00 H new ATOM 0 HG11 VAL A 9 10.965 6.542 0.692 1.00 0.00 H new ATOM 0 HG12 VAL A 9 9.853 5.648 -0.372 1.00 0.00 H new ATOM 0 HG13 VAL A 9 9.752 7.422 -0.268 1.00 0.00 H new ATOM 0 HG21 VAL A 9 10.157 7.537 2.805 1.00 0.00 H new ATOM 0 HG22 VAL A 9 8.898 8.473 1.965 1.00 0.00 H new ATOM 0 HG23 VAL A 9 8.452 7.372 3.290 1.00 0.00 H new ATOM 128 N LEU A 10 7.504 4.175 -0.157 1.00 0.00 N ATOM 129 CA LEU A 10 7.391 3.244 -1.267 1.00 0.00 C ATOM 130 C LEU A 10 5.983 3.332 -1.859 1.00 0.00 C ATOM 131 O LEU A 10 5.823 3.477 -3.070 1.00 0.00 O ATOM 132 CB LEU A 10 7.785 1.833 -0.824 1.00 0.00 C ATOM 133 CG LEU A 10 9.230 1.420 -1.108 1.00 0.00 C ATOM 134 CD1 LEU A 10 10.003 1.199 0.194 1.00 0.00 C ATOM 135 CD2 LEU A 10 9.280 0.192 -2.021 1.00 0.00 C ATOM 0 H LEU A 10 7.690 3.741 0.747 1.00 0.00 H new ATOM 0 HA LEU A 10 8.088 3.511 -2.061 1.00 0.00 H new ATOM 0 HB2 LEU A 10 7.608 1.747 0.248 1.00 0.00 H new ATOM 0 HB3 LEU A 10 7.121 1.121 -1.315 1.00 0.00 H new ATOM 0 HG LEU A 10 9.721 2.236 -1.639 1.00 0.00 H new ATOM 0 HD11 LEU A 10 11.027 0.906 -0.036 1.00 0.00 H new ATOM 0 HD12 LEU A 10 10.011 2.122 0.774 1.00 0.00 H new ATOM 0 HD13 LEU A 10 9.522 0.411 0.773 1.00 0.00 H new ATOM 0 HD21 LEU A 10 10.319 -0.081 -2.207 1.00 0.00 H new ATOM 0 HD22 LEU A 10 8.767 -0.640 -1.540 1.00 0.00 H new ATOM 0 HD23 LEU A 10 8.790 0.422 -2.967 1.00 0.00 H new ATOM 146 N TYR A 11 4.998 3.241 -0.977 1.00 0.00 N ATOM 147 CA TYR A 11 3.608 3.308 -1.399 1.00 0.00 C ATOM 148 C TYR A 11 3.331 4.600 -2.169 1.00 0.00 C ATOM 149 O TYR A 11 2.817 4.563 -3.286 1.00 0.00 O ATOM 150 CB TYR A 11 2.778 3.307 -0.113 1.00 0.00 C ATOM 151 CG TYR A 11 1.515 4.167 -0.187 1.00 0.00 C ATOM 152 CD1 TYR A 11 0.789 4.227 -1.359 1.00 0.00 C ATOM 153 CD2 TYR A 11 1.102 4.884 0.918 1.00 0.00 C ATOM 154 CE1 TYR A 11 -0.399 5.037 -1.429 1.00 0.00 C ATOM 155 CE2 TYR A 11 -0.087 5.693 0.848 1.00 0.00 C ATOM 156 CZ TYR A 11 -0.778 5.730 -0.322 1.00 0.00 C ATOM 157 OH TYR A 11 -1.901 6.495 -0.388 1.00 0.00 O ATOM 0 H TYR A 11 5.134 3.122 0.027 1.00 0.00 H new ATOM 0 HA TYR A 11 3.365 2.472 -2.055 1.00 0.00 H new ATOM 0 HB2 TYR A 11 2.494 2.282 0.123 1.00 0.00 H new ATOM 0 HB3 TYR A 11 3.400 3.662 0.709 1.00 0.00 H new ATOM 0 HD1 TYR A 11 1.112 3.666 -2.224 1.00 0.00 H new ATOM 0 HD2 TYR A 11 1.671 4.838 1.835 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -0.976 5.093 -2.340 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -0.422 6.258 1.706 1.00 0.00 H new ATOM 0 HH TYR A 11 -1.882 7.034 -1.206 1.00 0.00 H new ATOM 166 N LYS A 12 3.685 5.713 -1.542 1.00 0.00 N ATOM 167 CA LYS A 12 3.480 7.015 -2.155 1.00 0.00 C ATOM 168 C LYS A 12 4.182 7.049 -3.514 1.00 0.00 C ATOM 169 O LYS A 12 3.703 7.691 -4.448 1.00 0.00 O ATOM 170 CB LYS A 12 3.923 8.129 -1.206 1.00 0.00 C ATOM 171 CG LYS A 12 4.024 9.468 -1.940 1.00 0.00 C ATOM 172 CD LYS A 12 5.388 9.621 -2.616 1.00 0.00 C ATOM 173 CE LYS A 12 5.920 11.047 -2.462 1.00 0.00 C ATOM 174 NZ LYS A 12 6.102 11.679 -3.786 1.00 0.00 N ATOM 0 H LYS A 12 4.112 5.740 -0.616 1.00 0.00 H new ATOM 0 HA LYS A 12 2.420 7.188 -2.339 1.00 0.00 H new ATOM 0 HB2 LYS A 12 3.213 8.214 -0.383 1.00 0.00 H new ATOM 0 HB3 LYS A 12 4.889 7.876 -0.769 1.00 0.00 H new ATOM 0 HG2 LYS A 12 3.234 9.538 -2.688 1.00 0.00 H new ATOM 0 HG3 LYS A 12 3.869 10.285 -1.236 1.00 0.00 H new ATOM 0 HD2 LYS A 12 6.095 8.916 -2.179 1.00 0.00 H new ATOM 0 HD3 LYS A 12 5.303 9.373 -3.674 1.00 0.00 H new ATOM 0 HE2 LYS A 12 5.226 11.637 -1.863 1.00 0.00 H new ATOM 0 HE3 LYS A 12 6.869 11.031 -1.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 6.464 12.646 -3.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 6.781 11.124 -4.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 5.189 11.712 -4.283 1.00 0.00 H new ATOM 184 N LEU A 13 5.307 6.351 -3.582 1.00 0.00 N ATOM 185 CA LEU A 13 6.079 6.294 -4.811 1.00 0.00 C ATOM 186 C LEU A 13 5.444 5.276 -5.760 1.00 0.00 C ATOM 187 O LEU A 13 5.559 5.402 -6.978 1.00 0.00 O ATOM 188 CB LEU A 13 7.552 6.015 -4.506 1.00 0.00 C ATOM 189 CG LEU A 13 8.565 6.626 -5.476 1.00 0.00 C ATOM 190 CD1 LEU A 13 9.938 6.769 -4.817 1.00 0.00 C ATOM 191 CD2 LEU A 13 8.634 5.820 -6.775 1.00 0.00 C ATOM 0 H LEU A 13 5.702 5.820 -2.805 1.00 0.00 H new ATOM 0 HA LEU A 13 6.060 7.259 -5.318 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.771 6.383 -3.504 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.701 4.935 -4.489 1.00 0.00 H new ATOM 0 HG LEU A 13 8.227 7.629 -5.736 1.00 0.00 H new ATOM 0 HD11 LEU A 13 10.639 7.206 -5.528 1.00 0.00 H new ATOM 0 HD12 LEU A 13 9.857 7.416 -3.944 1.00 0.00 H new ATOM 0 HD13 LEU A 13 10.298 5.787 -4.509 1.00 0.00 H new ATOM 0 HD21 LEU A 13 9.361 6.275 -7.447 1.00 0.00 H new ATOM 0 HD22 LEU A 13 8.936 4.797 -6.553 1.00 0.00 H new ATOM 0 HD23 LEU A 13 7.654 5.813 -7.252 1.00 0.00 H new ATOM 202 N MET A 14 4.789 4.288 -5.166 1.00 0.00 N ATOM 203 CA MET A 14 4.137 3.248 -5.943 1.00 0.00 C ATOM 204 C MET A 14 2.913 3.799 -6.676 1.00 0.00 C ATOM 205 O MET A 14 2.753 3.582 -7.876 1.00 0.00 O ATOM 206 CB MET A 14 3.707 2.111 -5.015 1.00 0.00 C ATOM 207 CG MET A 14 4.877 1.167 -4.728 1.00 0.00 C ATOM 208 SD MET A 14 4.426 0.006 -3.449 1.00 0.00 S ATOM 209 CE MET A 14 5.467 -1.371 -3.898 1.00 0.00 C ATOM 0 H MET A 14 4.696 4.186 -4.155 1.00 0.00 H new ATOM 0 HA MET A 14 4.845 2.876 -6.684 1.00 0.00 H new ATOM 0 HB2 MET A 14 3.329 2.523 -4.079 1.00 0.00 H new ATOM 0 HB3 MET A 14 2.889 1.554 -5.471 1.00 0.00 H new ATOM 0 HG2 MET A 14 5.154 0.631 -5.636 1.00 0.00 H new ATOM 0 HG3 MET A 14 5.750 1.741 -4.418 1.00 0.00 H new ATOM 0 HE1 MET A 14 5.473 -2.101 -3.089 1.00 0.00 H new ATOM 0 HE2 MET A 14 5.082 -1.837 -4.805 1.00 0.00 H new ATOM 0 HE3 MET A 14 6.483 -1.017 -4.075 1.00 0.00 H new ATOM 217 N ASP A 15 2.078 4.502 -5.924 1.00 0.00 N ATOM 218 CA ASP A 15 0.873 5.084 -6.487 1.00 0.00 C ATOM 219 C ASP A 15 1.224 5.820 -7.782 1.00 0.00 C ATOM 220 O ASP A 15 1.606 6.989 -7.753 1.00 0.00 O ATOM 221 CB ASP A 15 0.248 6.096 -5.523 1.00 0.00 C ATOM 222 CG ASP A 15 -0.864 6.959 -6.124 1.00 0.00 C ATOM 223 OD1 ASP A 15 -1.666 6.395 -6.897 1.00 0.00 O ATOM 224 OD2 ASP A 15 -0.885 8.166 -5.796 1.00 0.00 O ATOM 0 H ASP A 15 2.213 4.681 -4.929 1.00 0.00 H new ATOM 0 HA ASP A 15 0.164 4.277 -6.673 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -0.154 5.557 -4.665 1.00 0.00 H new ATOM 0 HB3 ASP A 15 1.034 6.752 -5.148 1.00 0.00 H new ATOM 228 N VAL A 16 1.081 5.105 -8.888 1.00 0.00 N ATOM 229 CA VAL A 16 1.378 5.675 -10.191 1.00 0.00 C ATOM 230 C VAL A 16 0.095 5.732 -11.023 1.00 0.00 C ATOM 231 O VAL A 16 -0.104 6.663 -11.801 1.00 0.00 O ATOM 232 CB VAL A 16 2.495 4.877 -10.869 1.00 0.00 C ATOM 233 CG1 VAL A 16 2.025 3.463 -11.216 1.00 0.00 C ATOM 234 CG2 VAL A 16 3.012 5.605 -12.111 1.00 0.00 C ATOM 0 H VAL A 16 0.763 4.136 -8.909 1.00 0.00 H new ATOM 0 HA VAL A 16 1.743 6.697 -10.086 1.00 0.00 H new ATOM 0 HB VAL A 16 3.322 4.791 -10.164 1.00 0.00 H new ATOM 0 HG11 VAL A 16 2.837 2.917 -11.696 1.00 0.00 H new ATOM 0 HG12 VAL A 16 1.729 2.944 -10.304 1.00 0.00 H new ATOM 0 HG13 VAL A 16 1.174 3.519 -11.895 1.00 0.00 H new ATOM 0 HG21 VAL A 16 3.805 5.017 -12.574 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.196 5.737 -12.822 1.00 0.00 H new ATOM 0 HG23 VAL A 16 3.404 6.581 -11.824 1.00 0.00 H new ATOM 244 N ASP A 17 -0.742 4.722 -10.831 1.00 0.00 N ATOM 245 CA ASP A 17 -2.001 4.647 -11.554 1.00 0.00 C ATOM 246 C ASP A 17 -2.617 6.044 -11.645 1.00 0.00 C ATOM 247 O ASP A 17 -3.036 6.473 -12.719 1.00 0.00 O ATOM 248 CB ASP A 17 -2.996 3.737 -10.832 1.00 0.00 C ATOM 249 CG ASP A 17 -4.449 3.875 -11.291 1.00 0.00 C ATOM 250 OD1 ASP A 17 -4.640 4.151 -12.495 1.00 0.00 O ATOM 251 OD2 ASP A 17 -5.336 3.700 -10.428 1.00 0.00 O ATOM 0 H ASP A 17 -0.573 3.950 -10.186 1.00 0.00 H new ATOM 0 HA ASP A 17 -1.797 4.244 -12.546 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -2.684 2.702 -10.969 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -2.947 3.946 -9.763 1.00 0.00 H new ATOM 255 N GLY A 18 -2.652 6.715 -10.503 1.00 0.00 N ATOM 256 CA GLY A 18 -3.210 8.056 -10.441 1.00 0.00 C ATOM 257 C GLY A 18 -4.500 8.076 -9.618 1.00 0.00 C ATOM 258 O GLY A 18 -5.589 7.896 -10.161 1.00 0.00 O ATOM 0 H GLY A 18 -2.304 6.356 -9.614 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -2.482 8.737 -9.999 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -3.412 8.417 -11.450 1.00 0.00 H new ATOM 262 N ASP A 19 -4.334 8.294 -8.322 1.00 0.00 N ATOM 263 CA ASP A 19 -5.471 8.338 -7.419 1.00 0.00 C ATOM 264 C ASP A 19 -5.022 8.894 -6.066 1.00 0.00 C ATOM 265 O ASP A 19 -5.664 9.784 -5.512 1.00 0.00 O ATOM 266 CB ASP A 19 -6.047 6.940 -7.188 1.00 0.00 C ATOM 267 CG ASP A 19 -6.890 6.388 -8.340 1.00 0.00 C ATOM 268 OD1 ASP A 19 -8.088 6.741 -8.387 1.00 0.00 O ATOM 269 OD2 ASP A 19 -6.316 5.628 -9.149 1.00 0.00 O ATOM 0 H ASP A 19 -3.429 8.442 -7.876 1.00 0.00 H new ATOM 0 HA ASP A 19 -6.234 8.972 -7.870 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -5.224 6.251 -6.998 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -6.660 6.961 -6.287 1.00 0.00 H new ATOM 273 N GLY A 20 -3.921 8.346 -5.574 1.00 0.00 N ATOM 274 CA GLY A 20 -3.378 8.774 -4.297 1.00 0.00 C ATOM 275 C GLY A 20 -3.516 7.673 -3.243 1.00 0.00 C ATOM 276 O GLY A 20 -2.790 7.663 -2.250 1.00 0.00 O ATOM 0 H GLY A 20 -3.390 7.609 -6.037 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -2.327 9.039 -4.415 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -3.897 9.671 -3.960 1.00 0.00 H new ATOM 280 N LYS A 21 -4.455 6.773 -3.496 1.00 0.00 N ATOM 281 CA LYS A 21 -4.698 5.669 -2.582 1.00 0.00 C ATOM 282 C LYS A 21 -3.959 4.426 -3.082 1.00 0.00 C ATOM 283 O LYS A 21 -3.723 4.280 -4.281 1.00 0.00 O ATOM 284 CB LYS A 21 -6.201 5.455 -2.388 1.00 0.00 C ATOM 285 CG LYS A 21 -6.942 6.793 -2.334 1.00 0.00 C ATOM 286 CD LYS A 21 -7.601 7.110 -3.678 1.00 0.00 C ATOM 287 CE LYS A 21 -8.720 8.138 -3.510 1.00 0.00 C ATOM 288 NZ LYS A 21 -8.155 9.492 -3.310 1.00 0.00 N ATOM 0 H LYS A 21 -5.056 6.785 -4.320 1.00 0.00 H new ATOM 0 HA LYS A 21 -4.302 5.899 -1.593 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -6.594 4.850 -3.205 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -6.377 4.900 -1.467 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -7.700 6.761 -1.552 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -6.245 7.588 -2.070 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -6.853 7.492 -4.373 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -8.004 6.196 -4.114 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -9.362 8.132 -4.391 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -9.344 7.869 -2.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -8.896 10.204 -3.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -7.793 9.577 -2.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -7.378 9.647 -3.983 1.00 0.00 H new ATOM 298 N LEU A 22 -3.615 3.562 -2.138 1.00 0.00 N ATOM 299 CA LEU A 22 -2.908 2.336 -2.468 1.00 0.00 C ATOM 300 C LEU A 22 -3.917 1.195 -2.617 1.00 0.00 C ATOM 301 O LEU A 22 -4.266 0.540 -1.636 1.00 0.00 O ATOM 302 CB LEU A 22 -1.811 2.058 -1.439 1.00 0.00 C ATOM 303 CG LEU A 22 -0.581 1.309 -1.957 1.00 0.00 C ATOM 304 CD1 LEU A 22 -0.096 1.902 -3.282 1.00 0.00 C ATOM 305 CD2 LEU A 22 0.528 1.281 -0.902 1.00 0.00 C ATOM 0 H LEU A 22 -3.813 3.687 -1.145 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.397 2.436 -3.425 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.483 3.010 -1.021 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.245 1.483 -0.621 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.867 0.275 -2.152 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.779 1.352 -3.628 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.889 1.828 -4.026 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.168 2.949 -3.137 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.391 0.743 -1.295 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.819 2.301 -0.653 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.165 0.779 -0.006 1.00 0.00 H new ATOM 316 N THR A 23 -4.356 0.992 -3.850 1.00 0.00 N ATOM 317 CA THR A 23 -5.317 -0.059 -4.138 1.00 0.00 C ATOM 318 C THR A 23 -4.594 -1.353 -4.519 1.00 0.00 C ATOM 319 O THR A 23 -3.411 -1.332 -4.856 1.00 0.00 O ATOM 320 CB THR A 23 -6.262 0.452 -5.228 1.00 0.00 C ATOM 321 OG1 THR A 23 -5.655 0.024 -6.444 1.00 0.00 O ATOM 322 CG2 THR A 23 -6.266 1.979 -5.331 1.00 0.00 C ATOM 0 H THR A 23 -4.064 1.537 -4.661 1.00 0.00 H new ATOM 0 HA THR A 23 -5.912 -0.303 -3.258 1.00 0.00 H new ATOM 0 HB THR A 23 -7.273 0.099 -5.025 1.00 0.00 H new ATOM 0 HG1 THR A 23 -6.204 0.312 -7.203 1.00 0.00 H new ATOM 0 HG21 THR A 23 -6.953 2.289 -6.119 1.00 0.00 H new ATOM 0 HG22 THR A 23 -6.587 2.407 -4.381 1.00 0.00 H new ATOM 0 HG23 THR A 23 -5.261 2.330 -5.566 1.00 0.00 H new ATOM 330 N LYS A 24 -5.336 -2.448 -4.453 1.00 0.00 N ATOM 331 CA LYS A 24 -4.781 -3.749 -4.786 1.00 0.00 C ATOM 332 C LYS A 24 -4.275 -3.728 -6.229 1.00 0.00 C ATOM 333 O LYS A 24 -3.081 -3.891 -6.474 1.00 0.00 O ATOM 334 CB LYS A 24 -5.802 -4.854 -4.508 1.00 0.00 C ATOM 335 CG LYS A 24 -5.104 -6.181 -4.201 1.00 0.00 C ATOM 336 CD LYS A 24 -5.270 -7.169 -5.356 1.00 0.00 C ATOM 337 CE LYS A 24 -4.573 -8.496 -5.049 1.00 0.00 C ATOM 338 NZ LYS A 24 -5.501 -9.422 -4.361 1.00 0.00 N ATOM 0 H LYS A 24 -6.317 -2.461 -4.174 1.00 0.00 H new ATOM 0 HA LYS A 24 -3.924 -3.972 -4.150 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -6.433 -4.568 -3.667 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -6.457 -4.975 -5.371 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -4.044 -6.004 -4.019 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -5.517 -6.611 -3.288 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -6.330 -7.345 -5.539 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -4.856 -6.740 -6.268 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -4.217 -8.949 -5.974 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -3.698 -8.318 -4.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -5.012 -10.318 -4.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -5.820 -8.994 -3.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -6.323 -9.606 -4.971 1.00 0.00 H new ATOM 348 N GLU A 25 -5.209 -3.527 -7.148 1.00 0.00 N ATOM 349 CA GLU A 25 -4.872 -3.483 -8.561 1.00 0.00 C ATOM 350 C GLU A 25 -3.561 -2.723 -8.770 1.00 0.00 C ATOM 351 O GLU A 25 -2.618 -3.254 -9.355 1.00 0.00 O ATOM 352 CB GLU A 25 -6.007 -2.856 -9.374 1.00 0.00 C ATOM 353 CG GLU A 25 -6.037 -3.421 -10.796 1.00 0.00 C ATOM 354 CD GLU A 25 -7.449 -3.354 -11.381 1.00 0.00 C ATOM 355 OE1 GLU A 25 -7.804 -2.268 -11.887 1.00 0.00 O ATOM 356 OE2 GLU A 25 -8.144 -4.393 -11.310 1.00 0.00 O ATOM 0 H GLU A 25 -6.199 -3.393 -6.941 1.00 0.00 H new ATOM 0 HA GLU A 25 -4.736 -4.505 -8.916 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -6.961 -3.047 -8.882 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -5.879 -1.774 -9.411 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -5.350 -2.860 -11.429 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -5.691 -4.455 -10.788 1.00 0.00 H new ATOM 361 N GLU A 26 -3.544 -1.491 -8.282 1.00 0.00 N ATOM 362 CA GLU A 26 -2.364 -0.652 -8.409 1.00 0.00 C ATOM 363 C GLU A 26 -1.174 -1.299 -7.697 1.00 0.00 C ATOM 364 O GLU A 26 -0.035 -1.169 -8.142 1.00 0.00 O ATOM 365 CB GLU A 26 -2.630 0.753 -7.867 1.00 0.00 C ATOM 366 CG GLU A 26 -1.435 1.674 -8.122 1.00 0.00 C ATOM 367 CD GLU A 26 -1.780 3.126 -7.784 1.00 0.00 C ATOM 368 OE1 GLU A 26 -2.681 3.313 -6.937 1.00 0.00 O ATOM 369 OE2 GLU A 26 -1.137 4.017 -8.381 1.00 0.00 O ATOM 0 H GLU A 26 -4.328 -1.054 -7.798 1.00 0.00 H new ATOM 0 HA GLU A 26 -2.121 -0.557 -9.467 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -3.520 1.167 -8.341 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -2.833 0.702 -6.797 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -0.586 1.349 -7.521 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -1.132 1.602 -9.167 1.00 0.00 H new ATOM 374 N VAL A 27 -1.480 -1.984 -6.604 1.00 0.00 N ATOM 375 CA VAL A 27 -0.450 -2.651 -5.827 1.00 0.00 C ATOM 376 C VAL A 27 0.067 -3.862 -6.606 1.00 0.00 C ATOM 377 O VAL A 27 1.192 -3.852 -7.101 1.00 0.00 O ATOM 378 CB VAL A 27 -0.993 -3.017 -4.444 1.00 0.00 C ATOM 379 CG1 VAL A 27 -0.500 -4.400 -4.010 1.00 0.00 C ATOM 380 CG2 VAL A 27 -0.621 -1.952 -3.410 1.00 0.00 C ATOM 0 H VAL A 27 -2.426 -2.091 -6.239 1.00 0.00 H new ATOM 0 HA VAL A 27 0.397 -1.984 -5.663 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.080 -3.055 -4.509 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.900 -4.636 -3.024 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.838 -5.148 -4.727 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.589 -4.402 -3.969 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.019 -2.236 -2.436 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.464 -1.868 -3.348 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.043 -0.992 -3.708 1.00 0.00 H new ATOM 390 N THR A 28 -0.780 -4.877 -6.690 1.00 0.00 N ATOM 391 CA THR A 28 -0.423 -6.094 -7.400 1.00 0.00 C ATOM 392 C THR A 28 0.385 -5.760 -8.656 1.00 0.00 C ATOM 393 O THR A 28 1.336 -6.464 -8.992 1.00 0.00 O ATOM 394 CB THR A 28 -1.712 -6.864 -7.694 1.00 0.00 C ATOM 395 OG1 THR A 28 -2.066 -7.439 -6.440 1.00 0.00 O ATOM 396 CG2 THR A 28 -1.477 -8.071 -8.605 1.00 0.00 C ATOM 0 H THR A 28 -1.713 -4.882 -6.278 1.00 0.00 H new ATOM 0 HA THR A 28 0.223 -6.731 -6.795 1.00 0.00 H new ATOM 0 HB THR A 28 -2.437 -6.195 -8.157 1.00 0.00 H new ATOM 0 HG1 THR A 28 -2.092 -8.415 -6.523 1.00 0.00 H new ATOM 0 HG21 THR A 28 -2.423 -8.583 -8.782 1.00 0.00 H new ATOM 0 HG22 THR A 28 -1.063 -7.734 -9.555 1.00 0.00 H new ATOM 0 HG23 THR A 28 -0.778 -8.757 -8.127 1.00 0.00 H new ATOM 404 N SER A 29 -0.022 -4.685 -9.315 1.00 0.00 N ATOM 405 CA SER A 29 0.652 -4.250 -10.526 1.00 0.00 C ATOM 406 C SER A 29 2.088 -3.832 -10.203 1.00 0.00 C ATOM 407 O SER A 29 3.040 -4.467 -10.657 1.00 0.00 O ATOM 408 CB SER A 29 -0.099 -3.094 -11.190 1.00 0.00 C ATOM 409 OG SER A 29 -0.766 -3.505 -12.381 1.00 0.00 O ATOM 0 H SER A 29 -0.810 -4.102 -9.033 1.00 0.00 H new ATOM 0 HA SER A 29 0.671 -5.085 -11.226 1.00 0.00 H new ATOM 0 HB2 SER A 29 -0.827 -2.685 -10.490 1.00 0.00 H new ATOM 0 HB3 SER A 29 0.602 -2.293 -11.425 1.00 0.00 H new ATOM 0 HG SER A 29 -1.235 -2.740 -12.774 1.00 0.00 H new ATOM 414 N PHE A 30 2.201 -2.768 -9.423 1.00 0.00 N ATOM 415 CA PHE A 30 3.505 -2.258 -9.035 1.00 0.00 C ATOM 416 C PHE A 30 4.293 -3.309 -8.251 1.00 0.00 C ATOM 417 O PHE A 30 5.518 -3.373 -8.347 1.00 0.00 O ATOM 418 CB PHE A 30 3.262 -1.045 -8.135 1.00 0.00 C ATOM 419 CG PHE A 30 4.261 0.094 -8.343 1.00 0.00 C ATOM 420 CD1 PHE A 30 5.578 -0.097 -8.060 1.00 0.00 C ATOM 421 CD2 PHE A 30 3.834 1.298 -8.810 1.00 0.00 C ATOM 422 CE1 PHE A 30 6.506 0.961 -8.252 1.00 0.00 C ATOM 423 CE2 PHE A 30 4.761 2.355 -9.003 1.00 0.00 C ATOM 424 CZ PHE A 30 6.078 2.164 -8.720 1.00 0.00 C ATOM 0 H PHE A 30 1.410 -2.244 -9.049 1.00 0.00 H new ATOM 0 HA PHE A 30 4.081 -1.997 -9.923 1.00 0.00 H new ATOM 0 HB2 PHE A 30 2.255 -0.668 -8.314 1.00 0.00 H new ATOM 0 HB3 PHE A 30 3.302 -1.364 -7.094 1.00 0.00 H new ATOM 0 HD1 PHE A 30 5.918 -1.053 -7.689 1.00 0.00 H new ATOM 0 HD2 PHE A 30 2.788 1.450 -9.034 1.00 0.00 H new ATOM 0 HE1 PHE A 30 7.551 0.810 -8.026 1.00 0.00 H new ATOM 0 HE2 PHE A 30 4.421 3.311 -9.374 1.00 0.00 H new ATOM 0 HZ PHE A 30 6.784 2.968 -8.867 1.00 0.00 H new ATOM 433 N PHE A 31 3.558 -4.109 -7.492 1.00 0.00 N ATOM 434 CA PHE A 31 4.173 -5.156 -6.692 1.00 0.00 C ATOM 435 C PHE A 31 4.469 -6.393 -7.542 1.00 0.00 C ATOM 436 O PHE A 31 5.288 -7.229 -7.162 1.00 0.00 O ATOM 437 CB PHE A 31 3.171 -5.530 -5.598 1.00 0.00 C ATOM 438 CG PHE A 31 3.245 -4.640 -4.355 1.00 0.00 C ATOM 439 CD1 PHE A 31 2.579 -3.455 -4.327 1.00 0.00 C ATOM 440 CD2 PHE A 31 3.977 -5.036 -3.279 1.00 0.00 C ATOM 441 CE1 PHE A 31 2.648 -2.630 -3.174 1.00 0.00 C ATOM 442 CE2 PHE A 31 4.046 -4.209 -2.126 1.00 0.00 C ATOM 443 CZ PHE A 31 3.380 -3.024 -2.097 1.00 0.00 C ATOM 0 H PHE A 31 2.543 -4.054 -7.414 1.00 0.00 H new ATOM 0 HA PHE A 31 5.116 -4.801 -6.276 1.00 0.00 H new ATOM 0 HB2 PHE A 31 2.163 -5.478 -6.010 1.00 0.00 H new ATOM 0 HB3 PHE A 31 3.342 -6.565 -5.302 1.00 0.00 H new ATOM 0 HD1 PHE A 31 1.998 -3.142 -5.182 1.00 0.00 H new ATOM 0 HD2 PHE A 31 4.505 -5.978 -3.301 1.00 0.00 H new ATOM 0 HE1 PHE A 31 2.119 -1.689 -3.152 1.00 0.00 H new ATOM 0 HE2 PHE A 31 4.628 -4.522 -1.272 1.00 0.00 H new ATOM 0 HZ PHE A 31 3.432 -2.396 -1.220 1.00 0.00 H new ATOM 452 N LYS A 32 3.786 -6.471 -8.674 1.00 0.00 N ATOM 453 CA LYS A 32 3.965 -7.593 -9.580 1.00 0.00 C ATOM 454 C LYS A 32 5.449 -7.958 -9.646 1.00 0.00 C ATOM 455 O LYS A 32 5.799 -9.121 -9.835 1.00 0.00 O ATOM 456 CB LYS A 32 3.347 -7.283 -10.945 1.00 0.00 C ATOM 457 CG LYS A 32 4.389 -6.697 -11.899 1.00 0.00 C ATOM 458 CD LYS A 32 3.791 -6.459 -13.287 1.00 0.00 C ATOM 459 CE LYS A 32 3.887 -4.983 -13.679 1.00 0.00 C ATOM 460 NZ LYS A 32 5.123 -4.733 -14.453 1.00 0.00 N ATOM 0 H LYS A 32 3.108 -5.776 -8.985 1.00 0.00 H new ATOM 0 HA LYS A 32 3.437 -8.471 -9.208 1.00 0.00 H new ATOM 0 HB2 LYS A 32 2.928 -8.193 -11.373 1.00 0.00 H new ATOM 0 HB3 LYS A 32 2.523 -6.579 -10.824 1.00 0.00 H new ATOM 0 HG2 LYS A 32 4.768 -5.757 -11.497 1.00 0.00 H new ATOM 0 HG3 LYS A 32 5.238 -7.376 -11.977 1.00 0.00 H new ATOM 0 HD2 LYS A 32 4.315 -7.069 -14.022 1.00 0.00 H new ATOM 0 HD3 LYS A 32 2.748 -6.775 -13.297 1.00 0.00 H new ATOM 0 HE2 LYS A 32 3.016 -4.700 -14.271 1.00 0.00 H new ATOM 0 HE3 LYS A 32 3.879 -4.361 -12.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 5.173 -3.727 -14.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 5.951 -4.984 -13.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 5.115 -5.312 -15.317 1.00 0.00 H new ATOM 470 N LYS A 33 6.284 -6.941 -9.486 1.00 0.00 N ATOM 471 CA LYS A 33 7.723 -7.139 -9.525 1.00 0.00 C ATOM 472 C LYS A 33 8.226 -7.468 -8.119 1.00 0.00 C ATOM 473 O LYS A 33 9.025 -8.385 -7.940 1.00 0.00 O ATOM 474 CB LYS A 33 8.414 -5.930 -10.159 1.00 0.00 C ATOM 475 CG LYS A 33 8.099 -4.649 -9.383 1.00 0.00 C ATOM 476 CD LYS A 33 8.958 -3.484 -9.878 1.00 0.00 C ATOM 477 CE LYS A 33 10.109 -3.202 -8.910 1.00 0.00 C ATOM 478 NZ LYS A 33 10.293 -1.743 -8.735 1.00 0.00 N ATOM 0 H LYS A 33 5.991 -5.977 -9.329 1.00 0.00 H new ATOM 0 HA LYS A 33 7.974 -7.988 -10.160 1.00 0.00 H new ATOM 0 HB2 LYS A 33 9.492 -6.092 -10.179 1.00 0.00 H new ATOM 0 HB3 LYS A 33 8.089 -5.822 -11.194 1.00 0.00 H new ATOM 0 HG2 LYS A 33 7.044 -4.401 -9.496 1.00 0.00 H new ATOM 0 HG3 LYS A 33 8.276 -4.811 -8.320 1.00 0.00 H new ATOM 0 HD2 LYS A 33 9.357 -3.716 -10.866 1.00 0.00 H new ATOM 0 HD3 LYS A 33 8.341 -2.592 -9.985 1.00 0.00 H new ATOM 0 HE2 LYS A 33 9.903 -3.667 -7.946 1.00 0.00 H new ATOM 0 HE3 LYS A 33 11.029 -3.648 -9.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 11.248 -1.555 -8.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 10.172 -1.266 -9.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 9.588 -1.382 -8.061 1.00 0.00 H new ATOM 488 N HIS A 34 7.738 -6.699 -7.156 1.00 0.00 N ATOM 489 CA HIS A 34 8.128 -6.897 -5.770 1.00 0.00 C ATOM 490 C HIS A 34 7.710 -8.296 -5.314 1.00 0.00 C ATOM 491 O HIS A 34 8.112 -9.294 -5.911 1.00 0.00 O ATOM 492 CB HIS A 34 7.559 -5.789 -4.881 1.00 0.00 C ATOM 493 CG HIS A 34 7.999 -4.399 -5.276 1.00 0.00 C ATOM 494 ND1 HIS A 34 7.127 -3.327 -5.341 1.00 0.00 N ATOM 495 CD2 HIS A 34 9.228 -3.918 -5.623 1.00 0.00 C ATOM 496 CE1 HIS A 34 7.811 -2.254 -5.713 1.00 0.00 C ATOM 497 NE2 HIS A 34 9.112 -2.623 -5.888 1.00 0.00 N ATOM 0 H HIS A 34 7.076 -5.938 -7.308 1.00 0.00 H new ATOM 0 HA HIS A 34 9.212 -6.833 -5.681 1.00 0.00 H new ATOM 0 HB2 HIS A 34 6.470 -5.837 -4.910 1.00 0.00 H new ATOM 0 HB3 HIS A 34 7.859 -5.975 -3.850 1.00 0.00 H new ATOM 0 HD2 HIS A 34 10.140 -4.494 -5.673 1.00 0.00 H new ATOM 0 HE1 HIS A 34 7.408 -1.262 -5.853 1.00 0.00 H new ATOM 0 HE2 HIS A 34 9.871 -2.005 -6.175 1.00 0.00 H new ATOM 504 N GLY A 35 6.909 -8.324 -4.259 1.00 0.00 N ATOM 505 CA GLY A 35 6.431 -9.585 -3.715 1.00 0.00 C ATOM 506 C GLY A 35 4.907 -9.676 -3.800 1.00 0.00 C ATOM 507 O GLY A 35 4.250 -10.071 -2.837 1.00 0.00 O ATOM 0 H GLY A 35 6.579 -7.494 -3.766 1.00 0.00 H new ATOM 0 HA2 GLY A 35 6.879 -10.414 -4.262 1.00 0.00 H new ATOM 0 HA3 GLY A 35 6.747 -9.680 -2.676 1.00 0.00 H new ATOM 511 N ILE A 36 4.387 -9.305 -4.961 1.00 0.00 N ATOM 512 CA ILE A 36 2.951 -9.339 -5.183 1.00 0.00 C ATOM 513 C ILE A 36 2.354 -10.541 -4.446 1.00 0.00 C ATOM 514 O ILE A 36 1.228 -10.475 -3.956 1.00 0.00 O ATOM 515 CB ILE A 36 2.640 -9.321 -6.681 1.00 0.00 C ATOM 516 CG1 ILE A 36 1.140 -9.482 -6.932 1.00 0.00 C ATOM 517 CG2 ILE A 36 3.462 -10.376 -7.425 1.00 0.00 C ATOM 518 CD1 ILE A 36 0.691 -10.921 -6.667 1.00 0.00 C ATOM 0 H ILE A 36 4.934 -8.979 -5.758 1.00 0.00 H new ATOM 0 HA ILE A 36 2.481 -8.446 -4.772 1.00 0.00 H new ATOM 0 HB ILE A 36 2.930 -8.348 -7.078 1.00 0.00 H new ATOM 0 HG12 ILE A 36 0.585 -8.800 -6.289 1.00 0.00 H new ATOM 0 HG13 ILE A 36 0.909 -9.209 -7.961 1.00 0.00 H new ATOM 0 HG21 ILE A 36 3.222 -10.342 -8.488 1.00 0.00 H new ATOM 0 HG22 ILE A 36 4.524 -10.174 -7.287 1.00 0.00 H new ATOM 0 HG23 ILE A 36 3.226 -11.365 -7.031 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -0.379 -11.008 -6.853 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.231 -11.598 -7.329 1.00 0.00 H new ATOM 0 HD13 ILE A 36 0.902 -11.183 -5.630 1.00 0.00 H new ATOM 529 N GLU A 37 3.135 -11.609 -4.392 1.00 0.00 N ATOM 530 CA GLU A 37 2.699 -12.823 -3.724 1.00 0.00 C ATOM 531 C GLU A 37 2.540 -12.574 -2.222 1.00 0.00 C ATOM 532 O GLU A 37 1.423 -12.535 -1.710 1.00 0.00 O ATOM 533 CB GLU A 37 3.669 -13.975 -3.989 1.00 0.00 C ATOM 534 CG GLU A 37 3.342 -14.674 -5.311 1.00 0.00 C ATOM 535 CD GLU A 37 3.761 -16.145 -5.272 1.00 0.00 C ATOM 536 OE1 GLU A 37 4.917 -16.394 -4.869 1.00 0.00 O ATOM 537 OE2 GLU A 37 2.916 -16.986 -5.647 1.00 0.00 O ATOM 0 H GLU A 37 4.068 -11.659 -4.800 1.00 0.00 H new ATOM 0 HA GLU A 37 1.729 -13.109 -4.130 1.00 0.00 H new ATOM 0 HB2 GLU A 37 4.691 -13.596 -4.017 1.00 0.00 H new ATOM 0 HB3 GLU A 37 3.618 -14.694 -3.171 1.00 0.00 H new ATOM 0 HG2 GLU A 37 2.273 -14.602 -5.510 1.00 0.00 H new ATOM 0 HG3 GLU A 37 3.853 -14.168 -6.130 1.00 0.00 H new ATOM 542 N LYS A 38 3.676 -12.413 -1.558 1.00 0.00 N ATOM 543 CA LYS A 38 3.677 -12.169 -0.126 1.00 0.00 C ATOM 544 C LYS A 38 2.816 -10.943 0.179 1.00 0.00 C ATOM 545 O LYS A 38 2.159 -10.883 1.218 1.00 0.00 O ATOM 546 CB LYS A 38 5.111 -12.059 0.397 1.00 0.00 C ATOM 547 CG LYS A 38 5.127 -11.645 1.870 1.00 0.00 C ATOM 548 CD LYS A 38 5.261 -12.867 2.781 1.00 0.00 C ATOM 549 CE LYS A 38 6.591 -12.842 3.537 1.00 0.00 C ATOM 550 NZ LYS A 38 7.530 -13.834 2.968 1.00 0.00 N ATOM 0 H LYS A 38 4.601 -12.447 -1.986 1.00 0.00 H new ATOM 0 HA LYS A 38 3.232 -13.011 0.404 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.619 -13.016 0.279 1.00 0.00 H new ATOM 0 HB3 LYS A 38 5.663 -11.329 -0.196 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.956 -10.960 2.050 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.210 -11.107 2.110 1.00 0.00 H new ATOM 0 HD2 LYS A 38 4.435 -12.888 3.492 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.193 -13.778 2.186 1.00 0.00 H new ATOM 0 HE2 LYS A 38 7.029 -11.845 3.482 1.00 0.00 H new ATOM 0 HE3 LYS A 38 6.420 -13.057 4.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 8.427 -13.804 3.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 7.117 -14.786 3.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 7.706 -13.611 1.968 1.00 0.00 H new ATOM 560 N VAL A 39 2.845 -9.994 -0.745 1.00 0.00 N ATOM 561 CA VAL A 39 2.074 -8.772 -0.588 1.00 0.00 C ATOM 562 C VAL A 39 0.589 -9.082 -0.784 1.00 0.00 C ATOM 563 O VAL A 39 -0.261 -8.521 -0.094 1.00 0.00 O ATOM 564 CB VAL A 39 2.593 -7.700 -1.548 1.00 0.00 C ATOM 565 CG1 VAL A 39 1.903 -6.357 -1.295 1.00 0.00 C ATOM 566 CG2 VAL A 39 4.113 -7.562 -1.448 1.00 0.00 C ATOM 0 H VAL A 39 3.390 -10.046 -1.605 1.00 0.00 H new ATOM 0 HA VAL A 39 2.192 -8.372 0.419 1.00 0.00 H new ATOM 0 HB VAL A 39 2.352 -8.015 -2.563 1.00 0.00 H new ATOM 0 HG11 VAL A 39 2.290 -5.612 -1.991 1.00 0.00 H new ATOM 0 HG12 VAL A 39 0.828 -6.467 -1.442 1.00 0.00 H new ATOM 0 HG13 VAL A 39 2.099 -6.034 -0.272 1.00 0.00 H new ATOM 0 HG21 VAL A 39 4.455 -6.793 -2.141 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.387 -7.281 -0.431 1.00 0.00 H new ATOM 0 HG23 VAL A 39 4.582 -8.513 -1.701 1.00 0.00 H new ATOM 576 N ALA A 40 0.322 -9.974 -1.726 1.00 0.00 N ATOM 577 CA ALA A 40 -1.045 -10.365 -2.022 1.00 0.00 C ATOM 578 C ALA A 40 -1.701 -10.909 -0.751 1.00 0.00 C ATOM 579 O ALA A 40 -2.855 -10.596 -0.461 1.00 0.00 O ATOM 580 CB ALA A 40 -1.050 -11.384 -3.162 1.00 0.00 C ATOM 0 H ALA A 40 1.030 -10.438 -2.295 1.00 0.00 H new ATOM 0 HA ALA A 40 -1.627 -9.505 -2.352 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -2.076 -11.677 -3.384 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -0.600 -10.939 -4.050 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -0.477 -12.263 -2.867 1.00 0.00 H new ATOM 586 N GLU A 41 -0.937 -11.714 -0.027 1.00 0.00 N ATOM 587 CA GLU A 41 -1.430 -12.303 1.206 1.00 0.00 C ATOM 588 C GLU A 41 -1.573 -11.231 2.288 1.00 0.00 C ATOM 589 O GLU A 41 -2.610 -11.139 2.944 1.00 0.00 O ATOM 590 CB GLU A 41 -0.516 -13.437 1.675 1.00 0.00 C ATOM 591 CG GLU A 41 -1.070 -14.102 2.937 1.00 0.00 C ATOM 592 CD GLU A 41 0.063 -14.583 3.846 1.00 0.00 C ATOM 593 OE1 GLU A 41 0.883 -15.389 3.353 1.00 0.00 O ATOM 594 OE2 GLU A 41 0.084 -14.135 5.012 1.00 0.00 O ATOM 0 H GLU A 41 0.019 -11.972 -0.271 1.00 0.00 H new ATOM 0 HA GLU A 41 -2.415 -12.729 1.013 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -0.416 -14.179 0.883 1.00 0.00 H new ATOM 0 HB3 GLU A 41 0.482 -13.046 1.874 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.700 -13.396 3.478 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -1.702 -14.946 2.660 1.00 0.00 H new ATOM 599 N GLN A 42 -0.517 -10.446 2.441 1.00 0.00 N ATOM 600 CA GLN A 42 -0.511 -9.383 3.432 1.00 0.00 C ATOM 601 C GLN A 42 -1.597 -8.354 3.113 1.00 0.00 C ATOM 602 O GLN A 42 -2.241 -7.825 4.017 1.00 0.00 O ATOM 603 CB GLN A 42 0.864 -8.719 3.516 1.00 0.00 C ATOM 604 CG GLN A 42 1.898 -9.673 4.119 1.00 0.00 C ATOM 605 CD GLN A 42 1.968 -9.517 5.639 1.00 0.00 C ATOM 606 OE1 GLN A 42 2.508 -8.557 6.167 1.00 0.00 O ATOM 607 NE2 GLN A 42 1.394 -10.509 6.314 1.00 0.00 N ATOM 0 H GLN A 42 0.341 -10.525 1.895 1.00 0.00 H new ATOM 0 HA GLN A 42 -0.727 -9.821 4.407 1.00 0.00 H new ATOM 0 HB2 GLN A 42 1.185 -8.411 2.521 1.00 0.00 H new ATOM 0 HB3 GLN A 42 0.799 -7.816 4.123 1.00 0.00 H new ATOM 0 HG2 GLN A 42 1.639 -10.701 3.867 1.00 0.00 H new ATOM 0 HG3 GLN A 42 2.878 -9.475 3.684 1.00 0.00 H new ATOM 0 HE21 GLN A 42 0.960 -11.283 5.812 1.00 0.00 H new ATOM 0 HE22 GLN A 42 1.388 -10.496 7.334 1.00 0.00 H new ATOM 614 N VAL A 43 -1.769 -8.103 1.824 1.00 0.00 N ATOM 615 CA VAL A 43 -2.767 -7.147 1.374 1.00 0.00 C ATOM 616 C VAL A 43 -4.164 -7.699 1.666 1.00 0.00 C ATOM 617 O VAL A 43 -5.015 -6.991 2.205 1.00 0.00 O ATOM 618 CB VAL A 43 -2.551 -6.822 -0.105 1.00 0.00 C ATOM 619 CG1 VAL A 43 -3.805 -6.195 -0.718 1.00 0.00 C ATOM 620 CG2 VAL A 43 -1.335 -5.913 -0.294 1.00 0.00 C ATOM 0 H VAL A 43 -1.234 -8.545 1.076 1.00 0.00 H new ATOM 0 HA VAL A 43 -2.668 -6.208 1.918 1.00 0.00 H new ATOM 0 HB VAL A 43 -2.355 -7.758 -0.628 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.624 -5.974 -1.770 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -4.639 -6.891 -0.632 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -4.046 -5.273 -0.190 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -1.203 -5.697 -1.354 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.489 -4.981 0.250 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.445 -6.412 0.088 1.00 0.00 H new ATOM 630 N MET A 44 -4.357 -8.957 1.300 1.00 0.00 N ATOM 631 CA MET A 44 -5.636 -9.612 1.516 1.00 0.00 C ATOM 632 C MET A 44 -6.032 -9.568 2.994 1.00 0.00 C ATOM 633 O MET A 44 -7.203 -9.387 3.322 1.00 0.00 O ATOM 634 CB MET A 44 -5.549 -11.068 1.053 1.00 0.00 C ATOM 635 CG MET A 44 -6.929 -11.601 0.661 1.00 0.00 C ATOM 636 SD MET A 44 -7.325 -13.044 1.633 1.00 0.00 S ATOM 637 CE MET A 44 -6.717 -14.325 0.549 1.00 0.00 C ATOM 0 H MET A 44 -3.649 -9.541 0.855 1.00 0.00 H new ATOM 0 HA MET A 44 -6.396 -9.084 0.940 1.00 0.00 H new ATOM 0 HB2 MET A 44 -4.871 -11.143 0.203 1.00 0.00 H new ATOM 0 HB3 MET A 44 -5.130 -11.683 1.850 1.00 0.00 H new ATOM 0 HG2 MET A 44 -7.683 -10.830 0.816 1.00 0.00 H new ATOM 0 HG3 MET A 44 -6.943 -11.852 -0.400 1.00 0.00 H new ATOM 0 HE1 MET A 44 -6.886 -15.300 1.007 1.00 0.00 H new ATOM 0 HE2 MET A 44 -7.243 -14.275 -0.404 1.00 0.00 H new ATOM 0 HE3 MET A 44 -5.649 -14.184 0.382 1.00 0.00 H new ATOM 645 N LYS A 45 -5.031 -9.737 3.846 1.00 0.00 N ATOM 646 CA LYS A 45 -5.259 -9.719 5.281 1.00 0.00 C ATOM 647 C LYS A 45 -5.357 -8.269 5.760 1.00 0.00 C ATOM 648 O LYS A 45 -5.957 -7.993 6.797 1.00 0.00 O ATOM 649 CB LYS A 45 -4.186 -10.535 6.004 1.00 0.00 C ATOM 650 CG LYS A 45 -4.453 -12.035 5.869 1.00 0.00 C ATOM 651 CD LYS A 45 -4.178 -12.761 7.188 1.00 0.00 C ATOM 652 CE LYS A 45 -2.939 -13.651 7.076 1.00 0.00 C ATOM 653 NZ LYS A 45 -3.318 -15.079 7.148 1.00 0.00 N ATOM 0 H LYS A 45 -4.061 -9.887 3.570 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.208 -10.199 5.522 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -3.205 -10.298 5.592 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.164 -10.260 7.058 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -5.488 -12.198 5.569 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -3.823 -12.451 5.082 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -4.035 -12.032 7.986 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -5.042 -13.367 7.461 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -2.425 -13.452 6.136 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -2.240 -13.413 7.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -2.465 -15.669 7.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -3.788 -15.268 8.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -3.968 -15.306 6.368 1.00 0.00 H new ATOM 663 N ALA A 46 -4.757 -7.380 4.981 1.00 0.00 N ATOM 664 CA ALA A 46 -4.769 -5.966 5.312 1.00 0.00 C ATOM 665 C ALA A 46 -6.128 -5.370 4.937 1.00 0.00 C ATOM 666 O ALA A 46 -6.748 -4.676 5.742 1.00 0.00 O ATOM 667 CB ALA A 46 -3.610 -5.265 4.600 1.00 0.00 C ATOM 0 H ALA A 46 -4.259 -7.612 4.121 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.629 -5.822 6.383 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.619 -4.204 4.848 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.666 -5.705 4.922 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.718 -5.386 3.522 1.00 0.00 H new ATOM 673 N ASP A 47 -6.551 -5.663 3.717 1.00 0.00 N ATOM 674 CA ASP A 47 -7.825 -5.165 3.226 1.00 0.00 C ATOM 675 C ASP A 47 -8.938 -6.126 3.646 1.00 0.00 C ATOM 676 O ASP A 47 -9.772 -6.511 2.827 1.00 0.00 O ATOM 677 CB ASP A 47 -7.829 -5.074 1.699 1.00 0.00 C ATOM 678 CG ASP A 47 -8.762 -4.010 1.116 1.00 0.00 C ATOM 679 OD1 ASP A 47 -9.898 -3.910 1.629 1.00 0.00 O ATOM 680 OD2 ASP A 47 -8.317 -3.320 0.174 1.00 0.00 O ATOM 0 H ASP A 47 -6.034 -6.239 3.053 1.00 0.00 H new ATOM 0 HA ASP A 47 -7.984 -4.172 3.646 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -6.813 -4.870 1.360 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -8.112 -6.045 1.293 1.00 0.00 H new ATOM 684 N ALA A 48 -8.916 -6.485 4.920 1.00 0.00 N ATOM 685 CA ALA A 48 -9.915 -7.394 5.459 1.00 0.00 C ATOM 686 C ALA A 48 -11.002 -6.586 6.172 1.00 0.00 C ATOM 687 O ALA A 48 -10.981 -6.454 7.395 1.00 0.00 O ATOM 688 CB ALA A 48 -9.238 -8.406 6.386 1.00 0.00 C ATOM 0 H ALA A 48 -8.223 -6.164 5.596 1.00 0.00 H new ATOM 0 HA ALA A 48 -10.394 -7.956 4.658 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -9.987 -9.087 6.790 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -8.496 -8.974 5.825 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -8.748 -7.879 7.205 1.00 0.00 H new ATOM 694 N ASN A 49 -11.926 -6.068 5.377 1.00 0.00 N ATOM 695 CA ASN A 49 -13.019 -5.277 5.917 1.00 0.00 C ATOM 696 C ASN A 49 -14.037 -4.999 4.809 1.00 0.00 C ATOM 697 O ASN A 49 -15.244 -5.061 5.040 1.00 0.00 O ATOM 698 CB ASN A 49 -12.517 -3.932 6.444 1.00 0.00 C ATOM 699 CG ASN A 49 -13.440 -3.394 7.540 1.00 0.00 C ATOM 700 OD1 ASN A 49 -13.224 -3.594 8.724 1.00 0.00 O ATOM 701 ND2 ASN A 49 -14.479 -2.702 7.080 1.00 0.00 N ATOM 0 H ASN A 49 -11.941 -6.180 4.363 1.00 0.00 H new ATOM 0 HA ASN A 49 -13.471 -5.839 6.734 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -11.507 -4.046 6.837 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -12.461 -3.214 5.625 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -15.154 -2.302 7.732 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -14.601 -2.572 6.076 1.00 0.00 H new ATOM 707 N GLY A 50 -13.514 -4.699 3.629 1.00 0.00 N ATOM 708 CA GLY A 50 -14.362 -4.412 2.485 1.00 0.00 C ATOM 709 C GLY A 50 -13.605 -4.630 1.173 1.00 0.00 C ATOM 710 O GLY A 50 -13.654 -5.714 0.596 1.00 0.00 O ATOM 0 H GLY A 50 -12.513 -4.649 3.441 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -15.243 -5.053 2.511 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -14.715 -3.382 2.539 1.00 0.00 H new ATOM 714 N ASP A 51 -12.923 -3.579 0.740 1.00 0.00 N ATOM 715 CA ASP A 51 -12.158 -3.642 -0.494 1.00 0.00 C ATOM 716 C ASP A 51 -11.879 -2.221 -0.988 1.00 0.00 C ATOM 717 O ASP A 51 -12.512 -1.753 -1.934 1.00 0.00 O ATOM 718 CB ASP A 51 -12.934 -4.378 -1.587 1.00 0.00 C ATOM 719 CG ASP A 51 -12.332 -5.719 -2.014 1.00 0.00 C ATOM 720 OD1 ASP A 51 -12.529 -6.695 -1.260 1.00 0.00 O ATOM 721 OD2 ASP A 51 -11.691 -5.736 -3.087 1.00 0.00 O ATOM 0 H ASP A 51 -12.884 -2.680 1.221 1.00 0.00 H new ATOM 0 HA ASP A 51 -11.231 -4.177 -0.289 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -13.952 -4.548 -1.237 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -13.002 -3.732 -2.462 1.00 0.00 H new ATOM 725 N GLY A 52 -10.930 -1.573 -0.327 1.00 0.00 N ATOM 726 CA GLY A 52 -10.560 -0.216 -0.687 1.00 0.00 C ATOM 727 C GLY A 52 -9.061 -0.115 -0.979 1.00 0.00 C ATOM 728 O GLY A 52 -8.462 -1.056 -1.499 1.00 0.00 O ATOM 0 H GLY A 52 -10.406 -1.964 0.456 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -11.127 0.099 -1.563 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -10.823 0.464 0.124 1.00 0.00 H new ATOM 732 N TYR A 53 -8.499 1.033 -0.634 1.00 0.00 N ATOM 733 CA TYR A 53 -7.082 1.268 -0.853 1.00 0.00 C ATOM 734 C TYR A 53 -6.425 1.859 0.396 1.00 0.00 C ATOM 735 O TYR A 53 -7.114 2.275 1.327 1.00 0.00 O ATOM 736 CB TYR A 53 -6.995 2.287 -1.991 1.00 0.00 C ATOM 737 CG TYR A 53 -8.144 3.297 -2.011 1.00 0.00 C ATOM 738 CD1 TYR A 53 -8.459 4.008 -0.871 1.00 0.00 C ATOM 739 CD2 TYR A 53 -8.865 3.497 -3.171 1.00 0.00 C ATOM 740 CE1 TYR A 53 -9.540 4.958 -0.891 1.00 0.00 C ATOM 741 CE2 TYR A 53 -9.948 4.448 -3.190 1.00 0.00 C ATOM 742 CZ TYR A 53 -10.231 5.131 -2.049 1.00 0.00 C ATOM 743 OH TYR A 53 -11.253 6.028 -2.068 1.00 0.00 O ATOM 0 H TYR A 53 -8.999 1.811 -0.204 1.00 0.00 H new ATOM 0 HA TYR A 53 -6.570 0.335 -1.087 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -6.052 2.827 -1.910 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -6.977 1.754 -2.942 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -7.894 3.852 0.036 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -8.618 2.941 -4.064 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -9.797 5.521 -0.006 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -10.521 4.614 -4.090 1.00 0.00 H new ATOM 0 HH TYR A 53 -11.655 6.047 -2.962 1.00 0.00 H new ATOM 752 N ILE A 54 -5.101 1.877 0.377 1.00 0.00 N ATOM 753 CA ILE A 54 -4.343 2.411 1.496 1.00 0.00 C ATOM 754 C ILE A 54 -3.934 3.853 1.190 1.00 0.00 C ATOM 755 O ILE A 54 -3.006 4.088 0.417 1.00 0.00 O ATOM 756 CB ILE A 54 -3.163 1.495 1.829 1.00 0.00 C ATOM 757 CG1 ILE A 54 -3.424 0.709 3.116 1.00 0.00 C ATOM 758 CG2 ILE A 54 -1.856 2.287 1.897 1.00 0.00 C ATOM 759 CD1 ILE A 54 -4.219 -0.567 2.827 1.00 0.00 C ATOM 0 H ILE A 54 -4.533 1.530 -0.396 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.960 2.439 2.394 1.00 0.00 H new ATOM 0 HB ILE A 54 -3.058 0.768 1.024 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -2.476 0.452 3.588 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -3.973 1.332 3.822 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -1.034 1.612 2.135 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.668 2.762 0.934 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.934 3.051 2.670 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -4.391 -1.107 3.758 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -5.177 -0.305 2.377 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -3.656 -1.199 2.140 1.00 0.00 H new ATOM 770 N THR A 55 -4.647 4.780 1.810 1.00 0.00 N ATOM 771 CA THR A 55 -4.370 6.194 1.613 1.00 0.00 C ATOM 772 C THR A 55 -3.438 6.712 2.708 1.00 0.00 C ATOM 773 O THR A 55 -3.641 6.427 3.889 1.00 0.00 O ATOM 774 CB THR A 55 -5.709 6.934 1.554 1.00 0.00 C ATOM 775 OG1 THR A 55 -6.037 7.168 2.920 1.00 0.00 O ATOM 776 CG2 THR A 55 -6.846 6.047 1.044 1.00 0.00 C ATOM 0 H THR A 55 -5.416 4.581 2.449 1.00 0.00 H new ATOM 0 HA THR A 55 -3.844 6.367 0.674 1.00 0.00 H new ATOM 0 HB THR A 55 -5.613 7.807 0.909 1.00 0.00 H new ATOM 0 HG1 THR A 55 -6.998 7.028 3.054 1.00 0.00 H new ATOM 0 HG21 THR A 55 -7.773 6.620 1.022 1.00 0.00 H new ATOM 0 HG22 THR A 55 -6.612 5.697 0.039 1.00 0.00 H new ATOM 0 HG23 THR A 55 -6.965 5.191 1.708 1.00 0.00 H new ATOM 784 N LEU A 56 -2.435 7.464 2.280 1.00 0.00 N ATOM 785 CA LEU A 56 -1.470 8.025 3.211 1.00 0.00 C ATOM 786 C LEU A 56 -2.193 8.473 4.482 1.00 0.00 C ATOM 787 O LEU A 56 -1.751 8.176 5.590 1.00 0.00 O ATOM 788 CB LEU A 56 -0.662 9.138 2.539 1.00 0.00 C ATOM 789 CG LEU A 56 -1.437 10.045 1.580 1.00 0.00 C ATOM 790 CD1 LEU A 56 -1.318 11.512 1.997 1.00 0.00 C ATOM 791 CD2 LEU A 56 -0.992 9.820 0.134 1.00 0.00 C ATOM 0 H LEU A 56 -2.269 7.698 1.301 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.744 7.268 3.507 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -0.220 9.759 3.318 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.161 8.681 1.990 1.00 0.00 H new ATOM 0 HG LEU A 56 -2.493 9.780 1.636 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.877 12.135 1.299 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -1.722 11.639 3.001 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.269 11.809 1.988 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.558 10.476 -0.527 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.071 10.041 0.042 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.172 8.782 -0.145 1.00 0.00 H new ATOM 802 N GLU A 57 -3.295 9.182 4.279 1.00 0.00 N ATOM 803 CA GLU A 57 -4.085 9.673 5.395 1.00 0.00 C ATOM 804 C GLU A 57 -4.478 8.517 6.317 1.00 0.00 C ATOM 805 O GLU A 57 -4.350 8.618 7.536 1.00 0.00 O ATOM 806 CB GLU A 57 -5.321 10.427 4.902 1.00 0.00 C ATOM 807 CG GLU A 57 -6.151 9.558 3.954 1.00 0.00 C ATOM 808 CD GLU A 57 -7.378 10.318 3.446 1.00 0.00 C ATOM 809 OE1 GLU A 57 -8.248 10.620 4.290 1.00 0.00 O ATOM 810 OE2 GLU A 57 -7.417 10.580 2.224 1.00 0.00 O ATOM 0 H GLU A 57 -3.659 9.428 3.358 1.00 0.00 H new ATOM 0 HA GLU A 57 -3.476 10.375 5.965 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -5.931 10.728 5.753 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -5.015 11.340 4.391 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -5.537 9.246 3.109 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -6.468 8.652 4.470 1.00 0.00 H new ATOM 815 N GLU A 58 -4.951 7.444 5.700 1.00 0.00 N ATOM 816 CA GLU A 58 -5.364 6.269 6.449 1.00 0.00 C ATOM 817 C GLU A 58 -4.138 5.487 6.928 1.00 0.00 C ATOM 818 O GLU A 58 -4.118 4.988 8.052 1.00 0.00 O ATOM 819 CB GLU A 58 -6.289 5.383 5.613 1.00 0.00 C ATOM 820 CG GLU A 58 -6.896 4.268 6.466 1.00 0.00 C ATOM 821 CD GLU A 58 -8.177 3.726 5.828 1.00 0.00 C ATOM 822 OE1 GLU A 58 -8.966 4.564 5.339 1.00 0.00 O ATOM 823 OE2 GLU A 58 -8.338 2.487 5.842 1.00 0.00 O ATOM 0 H GLU A 58 -5.058 7.364 4.689 1.00 0.00 H new ATOM 0 HA GLU A 58 -5.925 6.598 7.324 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -7.085 5.989 5.179 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -5.731 4.949 4.783 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -6.174 3.460 6.583 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -7.115 4.647 7.464 1.00 0.00 H new ATOM 828 N PHE A 59 -3.149 5.406 6.052 1.00 0.00 N ATOM 829 CA PHE A 59 -1.923 4.694 6.371 1.00 0.00 C ATOM 830 C PHE A 59 -1.337 5.179 7.699 1.00 0.00 C ATOM 831 O PHE A 59 -0.905 4.373 8.521 1.00 0.00 O ATOM 832 CB PHE A 59 -0.928 4.991 5.248 1.00 0.00 C ATOM 833 CG PHE A 59 -0.086 3.784 4.828 1.00 0.00 C ATOM 834 CD1 PHE A 59 -0.654 2.551 4.752 1.00 0.00 C ATOM 835 CD2 PHE A 59 1.233 3.945 4.532 1.00 0.00 C ATOM 836 CE1 PHE A 59 0.129 1.432 4.362 1.00 0.00 C ATOM 837 CE2 PHE A 59 2.015 2.826 4.142 1.00 0.00 C ATOM 838 CZ PHE A 59 1.445 1.593 4.066 1.00 0.00 C ATOM 0 H PHE A 59 -3.171 5.822 5.121 1.00 0.00 H new ATOM 0 HA PHE A 59 -2.125 3.627 6.463 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -1.475 5.360 4.380 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -0.262 5.792 5.569 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -1.700 2.423 4.988 1.00 0.00 H new ATOM 0 HD2 PHE A 59 1.685 4.924 4.594 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -0.322 0.453 4.301 1.00 0.00 H new ATOM 0 HE2 PHE A 59 3.061 2.953 3.906 1.00 0.00 H new ATOM 0 HZ PHE A 59 2.039 0.741 3.770 1.00 0.00 H new ATOM 847 N LEU A 60 -1.341 6.493 7.865 1.00 0.00 N ATOM 848 CA LEU A 60 -0.815 7.094 9.079 1.00 0.00 C ATOM 849 C LEU A 60 -1.866 7.001 10.186 1.00 0.00 C ATOM 850 O LEU A 60 -1.611 6.422 11.242 1.00 0.00 O ATOM 851 CB LEU A 60 -0.335 8.522 8.805 1.00 0.00 C ATOM 852 CG LEU A 60 0.681 8.682 7.672 1.00 0.00 C ATOM 853 CD1 LEU A 60 0.331 9.881 6.788 1.00 0.00 C ATOM 854 CD2 LEU A 60 2.105 8.771 8.221 1.00 0.00 C ATOM 0 H LEU A 60 -1.700 7.158 7.180 1.00 0.00 H new ATOM 0 HA LEU A 60 0.062 6.548 9.425 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -1.204 9.139 8.577 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.105 8.918 9.720 1.00 0.00 H new ATOM 0 HG LEU A 60 0.634 7.793 7.043 1.00 0.00 H new ATOM 0 HD11 LEU A 60 1.068 9.973 5.991 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.658 9.736 6.353 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.333 10.790 7.390 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.807 8.884 7.395 1.00 0.00 H new ATOM 0 HD22 LEU A 60 2.185 9.631 8.886 1.00 0.00 H new ATOM 0 HD23 LEU A 60 2.339 7.861 8.774 1.00 0.00 H new ATOM 865 N GLU A 61 -3.025 7.580 9.908 1.00 0.00 N ATOM 866 CA GLU A 61 -4.116 7.570 10.868 1.00 0.00 C ATOM 867 C GLU A 61 -4.306 6.163 11.441 1.00 0.00 C ATOM 868 O GLU A 61 -4.607 6.006 12.622 1.00 0.00 O ATOM 869 CB GLU A 61 -5.410 8.084 10.234 1.00 0.00 C ATOM 870 CG GLU A 61 -6.426 8.482 11.306 1.00 0.00 C ATOM 871 CD GLU A 61 -6.404 9.993 11.547 1.00 0.00 C ATOM 872 OE1 GLU A 61 -6.173 10.722 10.559 1.00 0.00 O ATOM 873 OE2 GLU A 61 -6.620 10.384 12.715 1.00 0.00 O ATOM 0 H GLU A 61 -3.232 8.059 9.032 1.00 0.00 H new ATOM 0 HA GLU A 61 -3.860 8.243 11.686 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -5.192 8.942 9.598 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -5.836 7.313 9.593 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -7.425 8.174 10.998 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -6.203 7.958 12.236 1.00 0.00 H new ATOM 878 N PHE A 62 -4.122 5.177 10.575 1.00 0.00 N ATOM 879 CA PHE A 62 -4.270 3.789 10.979 1.00 0.00 C ATOM 880 C PHE A 62 -3.176 3.388 11.970 1.00 0.00 C ATOM 881 O PHE A 62 -3.401 2.549 12.842 1.00 0.00 O ATOM 882 CB PHE A 62 -4.132 2.938 9.715 1.00 0.00 C ATOM 883 CG PHE A 62 -4.074 1.433 9.981 1.00 0.00 C ATOM 884 CD1 PHE A 62 -5.180 0.777 10.421 1.00 0.00 C ATOM 885 CD2 PHE A 62 -2.914 0.751 9.778 1.00 0.00 C ATOM 886 CE1 PHE A 62 -5.125 -0.621 10.669 1.00 0.00 C ATOM 887 CE2 PHE A 62 -2.860 -0.646 10.026 1.00 0.00 C ATOM 888 CZ PHE A 62 -3.966 -1.303 10.466 1.00 0.00 C ATOM 0 H PHE A 62 -3.872 5.312 9.595 1.00 0.00 H new ATOM 0 HA PHE A 62 -5.235 3.643 11.464 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -4.974 3.148 9.055 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -3.228 3.238 9.185 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -6.101 1.318 10.582 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -2.035 1.272 9.428 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -6.004 -1.142 11.019 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -1.939 -1.187 9.865 1.00 0.00 H new ATOM 0 HZ PHE A 62 -3.924 -2.366 10.654 1.00 0.00 H new ATOM 897 N SER A 63 -2.016 4.005 11.805 1.00 0.00 N ATOM 898 CA SER A 63 -0.887 3.723 12.675 1.00 0.00 C ATOM 899 C SER A 63 -1.035 4.489 13.990 1.00 0.00 C ATOM 900 O SER A 63 -0.657 3.991 15.049 1.00 0.00 O ATOM 901 CB SER A 63 0.435 4.084 11.996 1.00 0.00 C ATOM 902 OG SER A 63 0.519 3.558 10.674 1.00 0.00 O ATOM 0 H SER A 63 -1.833 4.700 11.081 1.00 0.00 H new ATOM 0 HA SER A 63 -0.876 2.653 12.885 1.00 0.00 H new ATOM 0 HB2 SER A 63 0.540 5.168 11.962 1.00 0.00 H new ATOM 0 HB3 SER A 63 1.264 3.702 12.591 1.00 0.00 H new ATOM 0 HG SER A 63 -0.097 4.046 10.088 1.00 0.00 H new ATOM 907 N LEU A 64 -1.586 5.689 13.880 1.00 0.00 N ATOM 908 CA LEU A 64 -1.789 6.529 15.048 1.00 0.00 C ATOM 909 C LEU A 64 -2.662 5.786 16.060 1.00 0.00 C ATOM 910 O LEU A 64 -2.544 6.005 17.265 1.00 0.00 O ATOM 911 CB LEU A 64 -2.350 7.893 14.636 1.00 0.00 C ATOM 912 CG LEU A 64 -2.626 8.877 15.775 1.00 0.00 C ATOM 913 CD1 LEU A 64 -1.932 10.216 15.522 1.00 0.00 C ATOM 914 CD2 LEU A 64 -4.130 9.044 16.002 1.00 0.00 C ATOM 0 H LEU A 64 -1.898 6.099 13.000 1.00 0.00 H new ATOM 0 HA LEU A 64 -0.838 6.736 15.538 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -1.649 8.358 13.943 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -3.279 7.731 14.089 1.00 0.00 H new ATOM 0 HG LEU A 64 -2.206 8.465 16.693 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.144 10.897 16.346 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -0.856 10.060 15.448 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.301 10.647 14.591 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -4.299 9.748 16.817 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -4.595 9.423 15.092 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.568 8.080 16.259 1.00 0.00 H new TER 925 LEU A 64 HETATM 926 LA LA A 226 -3.806 4.839 -7.260 1.00 0.00 LA