USER MOD reduce.3.24.130724 H: found=0, std=0, add=919, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 917 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 35 GLN : amide:sc= 0.273 X(o=-0.47,f=-0.96) USER MOD Set 1.2: A 37 TYR OH : rot 28:sc= -0.744 USER MOD Set 2.1: A 15 LYS NZ :NH3+ -150:sc= -0.296 (180deg=0) USER MOD Set 2.2: A 93 MET CE :methyl -146:sc= -3.25! (180deg=-3.05) USER MOD Single : A 1 GLY N :NH3+ -135:sc= 0.0449 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.0544 USER MOD Single : A 10 LYS NZ :NH3+ -113:sc= -0.557 (180deg=-3.76!) USER MOD Single : A 11 MET CE :methyl -118:sc= -0.285 (180deg=-0.87) USER MOD Single : A 16 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0123) USER MOD Single : A 17 GLN : amide:sc= -8.71! C(o=-8.7!,f=-8.4!) USER MOD Single : A 19 SER OG : rot 180:sc= 0.0522 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -0.472 X(o=-0.47,f=-0.44) USER MOD Single : A 25 GLN : amide:sc= -0.277 K(o=-0.28,f=-2.9!) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0.16) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 TYR OH : rot 180:sc= -0.0213 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -0.0519 K(o=-0.052,f=-1.5) USER MOD Single : A 50 CYS SG : rot 31:sc= 0.449 USER MOD Single : A 51 MET CE :methyl -170:sc= -3! (180deg=-3.68!) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 CYS SG : rot 95:sc= -3.31! USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -0.964 K(o=-0.96,f=-3.9!) USER MOD Single : A 70 LYS NZ :NH3+ 175:sc= -0.119 (180deg=-0.123) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= -0.156 X(o=-0.16,f=-0.5) USER MOD Single : A 83 ASN : amide:sc= -0.482 X(o=-0.48,f=-0.00019) USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 GLN : amide:sc= -3.48! C(o=-3.5!,f=-7.8!) USER MOD Single : A 89 SER OG : rot -120:sc= -0.13 USER MOD Single : A 90 TYR OH : rot -140:sc= 0.845 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc= -2.92! C(o=-2.9!,f=-2.8!) USER MOD Single : A 100 MET CE :methyl -121:sc= -0.64 (180deg=-1.67!) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot -9:sc= 0.804 USER MOD Single : A 117 SER OG : rot 180:sc= 0.0403 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.667 20.284 2.814 1.00 0.00 N ATOM 2 CA GLY A 1 -13.749 20.879 4.137 1.00 0.00 C ATOM 3 C GLY A 1 -12.369 21.326 4.623 1.00 0.00 C ATOM 4 O GLY A 1 -11.516 21.703 3.821 1.00 0.00 O ATOM 0 H1 GLY A 1 -14.433 20.657 2.218 1.00 0.00 H new ATOM 0 H2 GLY A 1 -12.749 20.517 2.385 1.00 0.00 H new ATOM 0 H3 GLY A 1 -13.760 19.251 2.892 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -14.425 21.734 4.114 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -14.170 20.159 4.838 1.00 0.00 H new ATOM 8 N SER A 2 -12.192 21.270 5.935 1.00 0.00 N ATOM 9 CA SER A 2 -10.931 21.664 6.538 1.00 0.00 C ATOM 10 C SER A 2 -10.208 20.434 7.092 1.00 0.00 C ATOM 11 O SER A 2 -10.847 19.494 7.563 1.00 0.00 O ATOM 12 CB SER A 2 -11.149 22.695 7.647 1.00 0.00 C ATOM 13 OG SER A 2 -9.970 23.450 7.914 1.00 0.00 O ATOM 0 H SER A 2 -12.902 20.957 6.597 1.00 0.00 H new ATOM 0 HA SER A 2 -10.313 22.124 5.767 1.00 0.00 H new ATOM 0 HB2 SER A 2 -11.955 23.371 7.360 1.00 0.00 H new ATOM 0 HB3 SER A 2 -11.468 22.187 8.557 1.00 0.00 H new ATOM 0 HG SER A 2 -10.151 24.098 8.626 1.00 0.00 H new ATOM 19 N SER A 3 -8.886 20.480 7.017 1.00 0.00 N ATOM 20 CA SER A 3 -8.070 19.381 7.504 1.00 0.00 C ATOM 21 C SER A 3 -6.733 19.913 8.023 1.00 0.00 C ATOM 22 O SER A 3 -5.702 19.755 7.370 1.00 0.00 O ATOM 23 CB SER A 3 -7.838 18.339 6.409 1.00 0.00 C ATOM 24 OG SER A 3 -7.763 17.018 6.936 1.00 0.00 O ATOM 0 H SER A 3 -8.360 21.261 6.626 1.00 0.00 H new ATOM 0 HA SER A 3 -8.603 18.895 8.322 1.00 0.00 H new ATOM 0 HB2 SER A 3 -8.647 18.393 5.680 1.00 0.00 H new ATOM 0 HB3 SER A 3 -6.915 18.570 5.878 1.00 0.00 H new ATOM 0 HG SER A 3 -7.616 16.382 6.205 1.00 0.00 H new ATOM 30 N GLY A 4 -6.792 20.532 9.193 1.00 0.00 N ATOM 31 CA GLY A 4 -5.598 21.088 9.807 1.00 0.00 C ATOM 32 C GLY A 4 -4.803 20.005 10.539 1.00 0.00 C ATOM 33 O GLY A 4 -3.780 19.537 10.041 1.00 0.00 O ATOM 0 H GLY A 4 -7.648 20.661 9.732 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -4.973 21.549 9.043 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -5.878 21.875 10.507 1.00 0.00 H new ATOM 37 N SER A 5 -5.304 19.638 11.710 1.00 0.00 N ATOM 38 CA SER A 5 -4.653 18.619 12.515 1.00 0.00 C ATOM 39 C SER A 5 -5.698 17.661 13.091 1.00 0.00 C ATOM 40 O SER A 5 -6.846 18.046 13.306 1.00 0.00 O ATOM 41 CB SER A 5 -3.832 19.248 13.642 1.00 0.00 C ATOM 42 OG SER A 5 -2.443 19.296 13.328 1.00 0.00 O ATOM 0 H SER A 5 -6.153 20.028 12.120 1.00 0.00 H new ATOM 0 HA SER A 5 -3.971 18.061 11.874 1.00 0.00 H new ATOM 0 HB2 SER A 5 -4.195 20.257 13.835 1.00 0.00 H new ATOM 0 HB3 SER A 5 -3.977 18.676 14.559 1.00 0.00 H new ATOM 0 HG SER A 5 -1.953 19.706 14.072 1.00 0.00 H new ATOM 48 N SER A 6 -5.262 16.431 13.324 1.00 0.00 N ATOM 49 CA SER A 6 -6.146 15.416 13.871 1.00 0.00 C ATOM 50 C SER A 6 -5.445 14.056 13.868 1.00 0.00 C ATOM 51 O SER A 6 -5.338 13.406 14.907 1.00 0.00 O ATOM 52 CB SER A 6 -7.454 15.340 13.081 1.00 0.00 C ATOM 53 OG SER A 6 -7.248 15.547 11.687 1.00 0.00 O ATOM 0 H SER A 6 -4.309 16.115 13.144 1.00 0.00 H new ATOM 0 HA SER A 6 -6.389 15.691 14.897 1.00 0.00 H new ATOM 0 HB2 SER A 6 -7.917 14.366 13.238 1.00 0.00 H new ATOM 0 HB3 SER A 6 -8.150 16.088 13.460 1.00 0.00 H new ATOM 0 HG SER A 6 -8.106 15.489 11.217 1.00 0.00 H new ATOM 59 N GLY A 7 -4.985 13.666 12.688 1.00 0.00 N ATOM 60 CA GLY A 7 -4.297 12.395 12.536 1.00 0.00 C ATOM 61 C GLY A 7 -4.756 11.671 11.268 1.00 0.00 C ATOM 62 O GLY A 7 -5.479 12.240 10.452 1.00 0.00 O ATOM 0 H GLY A 7 -5.075 14.208 11.828 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.221 12.563 12.494 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.488 11.768 13.407 1.00 0.00 H new ATOM 66 N PRO A 8 -4.306 10.394 11.141 1.00 0.00 N ATOM 67 CA PRO A 8 -4.663 9.587 9.987 1.00 0.00 C ATOM 68 C PRO A 8 -6.111 9.104 10.082 1.00 0.00 C ATOM 69 O PRO A 8 -6.829 9.463 11.015 1.00 0.00 O ATOM 70 CB PRO A 8 -3.656 8.448 9.977 1.00 0.00 C ATOM 71 CG PRO A 8 -3.068 8.399 11.378 1.00 0.00 C ATOM 72 CD PRO A 8 -3.449 9.688 12.088 1.00 0.00 C ATOM 0 HA PRO A 8 -4.620 10.147 9.053 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -4.137 7.504 9.722 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -2.878 8.621 9.233 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -3.450 7.536 11.923 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -1.984 8.293 11.334 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -3.974 9.485 13.022 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -2.567 10.277 12.339 1.00 0.00 H new ATOM 80 N ILE A 9 -6.498 8.296 9.105 1.00 0.00 N ATOM 81 CA ILE A 9 -7.848 7.760 9.068 1.00 0.00 C ATOM 82 C ILE A 9 -7.791 6.237 9.201 1.00 0.00 C ATOM 83 O ILE A 9 -8.550 5.648 9.969 1.00 0.00 O ATOM 84 CB ILE A 9 -8.581 8.241 7.814 1.00 0.00 C ATOM 85 CG1 ILE A 9 -8.731 9.764 7.816 1.00 0.00 C ATOM 86 CG2 ILE A 9 -9.928 7.532 7.661 1.00 0.00 C ATOM 87 CD1 ILE A 9 -8.016 10.387 6.616 1.00 0.00 C ATOM 0 H ILE A 9 -5.900 8.000 8.333 1.00 0.00 H new ATOM 0 HA ILE A 9 -8.429 8.132 9.911 1.00 0.00 H new ATOM 0 HB ILE A 9 -7.978 7.979 6.944 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -9.788 10.029 7.792 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -8.321 10.172 8.740 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -10.429 7.892 6.762 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -9.766 6.457 7.581 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -10.550 7.741 8.531 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -8.138 11.470 6.642 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -6.955 10.141 6.656 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -8.444 9.995 5.694 1.00 0.00 H new ATOM 99 N LYS A 10 -6.883 5.642 8.441 1.00 0.00 N ATOM 100 CA LYS A 10 -6.717 4.199 8.464 1.00 0.00 C ATOM 101 C LYS A 10 -5.227 3.863 8.555 1.00 0.00 C ATOM 102 O LYS A 10 -4.409 4.459 7.857 1.00 0.00 O ATOM 103 CB LYS A 10 -7.419 3.559 7.264 1.00 0.00 C ATOM 104 CG LYS A 10 -7.115 2.062 7.185 1.00 0.00 C ATOM 105 CD LYS A 10 -8.404 1.244 7.093 1.00 0.00 C ATOM 106 CE LYS A 10 -8.163 -0.209 7.504 1.00 0.00 C ATOM 107 NZ LYS A 10 -9.263 -0.694 8.367 1.00 0.00 N ATOM 0 H LYS A 10 -6.255 6.133 7.805 1.00 0.00 H new ATOM 0 HA LYS A 10 -7.195 3.775 9.347 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -8.495 3.711 7.344 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -7.095 4.048 6.345 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -6.489 1.860 6.316 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -6.548 1.756 8.064 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -9.166 1.686 7.736 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -8.788 1.278 6.074 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -8.086 -0.836 6.616 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -7.214 -0.290 8.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -8.901 -0.868 9.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -10.015 0.023 8.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -9.647 -1.578 7.976 1.00 0.00 H new ATOM 121 N MET A 11 -4.921 2.909 9.422 1.00 0.00 N ATOM 122 CA MET A 11 -3.544 2.486 9.614 1.00 0.00 C ATOM 123 C MET A 11 -3.461 0.976 9.846 1.00 0.00 C ATOM 124 O MET A 11 -4.348 0.390 10.465 1.00 0.00 O ATOM 125 CB MET A 11 -2.946 3.221 10.815 1.00 0.00 C ATOM 126 CG MET A 11 -3.129 4.734 10.678 1.00 0.00 C ATOM 127 SD MET A 11 -4.736 5.213 11.289 1.00 0.00 S ATOM 128 CE MET A 11 -4.398 5.266 13.041 1.00 0.00 C ATOM 0 H MET A 11 -5.603 2.417 9.999 1.00 0.00 H new ATOM 0 HA MET A 11 -2.981 2.727 8.712 1.00 0.00 H new ATOM 0 HB2 MET A 11 -3.423 2.875 11.732 1.00 0.00 H new ATOM 0 HB3 MET A 11 -1.885 2.985 10.899 1.00 0.00 H new ATOM 0 HG2 MET A 11 -2.349 5.255 11.234 1.00 0.00 H new ATOM 0 HG3 MET A 11 -3.026 5.028 9.633 1.00 0.00 H new ATOM 0 HE1 MET A 11 -5.019 4.532 13.554 1.00 0.00 H new ATOM 0 HE2 MET A 11 -3.347 5.037 13.216 1.00 0.00 H new ATOM 0 HE3 MET A 11 -4.621 6.262 13.425 1.00 0.00 H new ATOM 138 N GLY A 12 -2.387 0.389 9.338 1.00 0.00 N ATOM 139 CA GLY A 12 -2.177 -1.041 9.482 1.00 0.00 C ATOM 140 C GLY A 12 -0.910 -1.486 8.748 1.00 0.00 C ATOM 141 O GLY A 12 -0.402 -0.768 7.889 1.00 0.00 O ATOM 0 H GLY A 12 -1.653 0.878 8.826 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -2.098 -1.296 10.539 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -3.038 -1.580 9.088 1.00 0.00 H new ATOM 145 N TRP A 13 -0.437 -2.668 9.114 1.00 0.00 N ATOM 146 CA TRP A 13 0.760 -3.218 8.501 1.00 0.00 C ATOM 147 C TRP A 13 0.349 -3.918 7.205 1.00 0.00 C ATOM 148 O TRP A 13 -0.331 -4.943 7.238 1.00 0.00 O ATOM 149 CB TRP A 13 1.498 -4.142 9.472 1.00 0.00 C ATOM 150 CG TRP A 13 2.417 -3.409 10.452 1.00 0.00 C ATOM 151 CD1 TRP A 13 2.081 -2.490 11.368 1.00 0.00 C ATOM 152 CD2 TRP A 13 3.846 -3.572 10.577 1.00 0.00 C ATOM 153 NE1 TRP A 13 3.184 -2.051 12.071 1.00 0.00 N ATOM 154 CE2 TRP A 13 4.291 -2.730 11.575 1.00 0.00 C ATOM 155 CE3 TRP A 13 4.732 -4.404 9.870 1.00 0.00 C ATOM 156 CZ2 TRP A 13 5.635 -2.637 11.957 1.00 0.00 C ATOM 157 CZ3 TRP A 13 6.071 -4.299 10.263 1.00 0.00 C ATOM 158 CH2 TRP A 13 6.536 -3.456 11.266 1.00 0.00 C ATOM 0 H TRP A 13 -0.861 -3.260 9.828 1.00 0.00 H new ATOM 0 HA TRP A 13 1.468 -2.426 8.259 1.00 0.00 H new ATOM 0 HB2 TRP A 13 0.765 -4.717 10.038 1.00 0.00 H new ATOM 0 HB3 TRP A 13 2.090 -4.856 8.899 1.00 0.00 H new ATOM 0 HD1 TRP A 13 1.074 -2.138 11.535 1.00 0.00 H new ATOM 0 HE1 TRP A 13 3.187 -1.356 12.818 1.00 0.00 H new ATOM 0 HE3 TRP A 13 4.405 -5.071 9.086 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 5.959 -1.970 12.742 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 6.794 -4.916 9.751 1.00 0.00 H new ATOM 0 HH2 TRP A 13 7.588 -3.433 11.511 1.00 0.00 H new ATOM 169 N LEU A 14 0.778 -3.338 6.094 1.00 0.00 N ATOM 170 CA LEU A 14 0.463 -3.893 4.789 1.00 0.00 C ATOM 171 C LEU A 14 1.748 -4.401 4.132 1.00 0.00 C ATOM 172 O LEU A 14 2.842 -3.957 4.476 1.00 0.00 O ATOM 173 CB LEU A 14 -0.300 -2.873 3.942 1.00 0.00 C ATOM 174 CG LEU A 14 -1.772 -2.666 4.305 1.00 0.00 C ATOM 175 CD1 LEU A 14 -2.282 -1.323 3.779 1.00 0.00 C ATOM 176 CD2 LEU A 14 -2.627 -3.836 3.816 1.00 0.00 C ATOM 0 H LEU A 14 1.342 -2.488 6.071 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.204 -4.749 4.890 1.00 0.00 H new ATOM 0 HB2 LEU A 14 0.211 -1.913 4.018 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.244 -3.182 2.898 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.856 -2.639 5.391 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.331 -1.200 4.050 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.697 -0.515 4.217 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.182 -1.296 2.694 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.669 -3.664 4.087 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.543 -3.920 2.733 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -2.280 -4.759 4.280 1.00 0.00 H new ATOM 188 N LYS A 15 1.572 -5.324 3.198 1.00 0.00 N ATOM 189 CA LYS A 15 2.705 -5.896 2.489 1.00 0.00 C ATOM 190 C LYS A 15 2.839 -5.222 1.122 1.00 0.00 C ATOM 191 O LYS A 15 1.952 -5.339 0.278 1.00 0.00 O ATOM 192 CB LYS A 15 2.575 -7.419 2.413 1.00 0.00 C ATOM 193 CG LYS A 15 3.611 -8.102 3.308 1.00 0.00 C ATOM 194 CD LYS A 15 3.609 -9.617 3.091 1.00 0.00 C ATOM 195 CE LYS A 15 2.758 -10.322 4.149 1.00 0.00 C ATOM 196 NZ LYS A 15 1.406 -10.609 3.620 1.00 0.00 N ATOM 0 H LYS A 15 0.663 -5.690 2.916 1.00 0.00 H new ATOM 0 HA LYS A 15 3.631 -5.704 3.032 1.00 0.00 H new ATOM 0 HB2 LYS A 15 1.572 -7.718 2.718 1.00 0.00 H new ATOM 0 HB3 LYS A 15 2.706 -7.748 1.382 1.00 0.00 H new ATOM 0 HG2 LYS A 15 4.602 -7.702 3.094 1.00 0.00 H new ATOM 0 HG3 LYS A 15 3.396 -7.880 4.353 1.00 0.00 H new ATOM 0 HD2 LYS A 15 3.223 -9.845 2.098 1.00 0.00 H new ATOM 0 HD3 LYS A 15 4.631 -9.995 3.130 1.00 0.00 H new ATOM 0 HE2 LYS A 15 3.241 -11.251 4.453 1.00 0.00 H new ATOM 0 HE3 LYS A 15 2.682 -9.697 5.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 0.718 -10.598 4.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 1.147 -9.886 2.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 1.402 -11.546 3.168 1.00 0.00 H new ATOM 210 N LYS A 16 3.956 -4.531 0.947 1.00 0.00 N ATOM 211 CA LYS A 16 4.218 -3.837 -0.303 1.00 0.00 C ATOM 212 C LYS A 16 5.291 -4.596 -1.087 1.00 0.00 C ATOM 213 O LYS A 16 6.351 -4.912 -0.549 1.00 0.00 O ATOM 214 CB LYS A 16 4.570 -2.372 -0.039 1.00 0.00 C ATOM 215 CG LYS A 16 5.018 -1.675 -1.326 1.00 0.00 C ATOM 216 CD LYS A 16 5.893 -0.459 -1.015 1.00 0.00 C ATOM 217 CE LYS A 16 6.001 0.463 -2.231 1.00 0.00 C ATOM 218 NZ LYS A 16 6.746 -0.203 -3.322 1.00 0.00 N ATOM 0 H LYS A 16 4.690 -4.437 1.649 1.00 0.00 H new ATOM 0 HA LYS A 16 3.322 -3.818 -0.924 1.00 0.00 H new ATOM 0 HB2 LYS A 16 3.705 -1.855 0.376 1.00 0.00 H new ATOM 0 HB3 LYS A 16 5.364 -2.313 0.706 1.00 0.00 H new ATOM 0 HG2 LYS A 16 5.572 -2.376 -1.950 1.00 0.00 H new ATOM 0 HG3 LYS A 16 4.144 -1.362 -1.897 1.00 0.00 H new ATOM 0 HD2 LYS A 16 5.472 0.091 -0.173 1.00 0.00 H new ATOM 0 HD3 LYS A 16 6.887 -0.789 -0.715 1.00 0.00 H new ATOM 0 HE2 LYS A 16 5.004 0.736 -2.577 1.00 0.00 H new ATOM 0 HE3 LYS A 16 6.505 1.388 -1.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 6.898 0.470 -4.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 7.665 -0.532 -2.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 6.199 -1.016 -3.670 1.00 0.00 H new ATOM 232 N GLN A 17 4.979 -4.867 -2.346 1.00 0.00 N ATOM 233 CA GLN A 17 5.903 -5.583 -3.208 1.00 0.00 C ATOM 234 C GLN A 17 7.155 -4.741 -3.459 1.00 0.00 C ATOM 235 O GLN A 17 7.063 -3.532 -3.671 1.00 0.00 O ATOM 236 CB GLN A 17 5.232 -5.973 -4.527 1.00 0.00 C ATOM 237 CG GLN A 17 5.725 -7.339 -5.010 1.00 0.00 C ATOM 238 CD GLN A 17 4.565 -8.184 -5.540 1.00 0.00 C ATOM 239 OE1 GLN A 17 4.230 -9.229 -5.007 1.00 0.00 O ATOM 240 NE2 GLN A 17 3.972 -7.675 -6.616 1.00 0.00 N ATOM 0 H GLN A 17 4.099 -4.603 -2.789 1.00 0.00 H new ATOM 0 HA GLN A 17 6.201 -6.502 -2.704 1.00 0.00 H new ATOM 0 HB2 GLN A 17 4.150 -5.999 -4.395 1.00 0.00 H new ATOM 0 HB3 GLN A 17 5.443 -5.218 -5.284 1.00 0.00 H new ATOM 0 HG2 GLN A 17 6.470 -7.204 -5.794 1.00 0.00 H new ATOM 0 HG3 GLN A 17 6.217 -7.863 -4.190 1.00 0.00 H new ATOM 0 HE21 GLN A 17 4.303 -6.795 -7.012 1.00 0.00 H new ATOM 0 HE22 GLN A 17 3.187 -8.164 -7.045 1.00 0.00 H new ATOM 249 N ARG A 18 8.297 -5.412 -3.427 1.00 0.00 N ATOM 250 CA ARG A 18 9.567 -4.740 -3.648 1.00 0.00 C ATOM 251 C ARG A 18 9.556 -4.014 -4.995 1.00 0.00 C ATOM 252 O ARG A 18 8.526 -3.959 -5.665 1.00 0.00 O ATOM 253 CB ARG A 18 10.728 -5.736 -3.622 1.00 0.00 C ATOM 254 CG ARG A 18 10.843 -6.410 -2.253 1.00 0.00 C ATOM 255 CD ARG A 18 12.296 -6.772 -1.940 1.00 0.00 C ATOM 256 NE ARG A 18 12.401 -7.294 -0.559 1.00 0.00 N ATOM 257 CZ ARG A 18 13.552 -7.398 0.119 1.00 0.00 C ATOM 258 NH1 ARG A 18 14.702 -7.016 -0.451 1.00 0.00 N ATOM 259 NH2 ARG A 18 13.552 -7.883 1.368 1.00 0.00 N ATOM 0 H ARG A 18 8.370 -6.414 -3.251 1.00 0.00 H new ATOM 0 HA ARG A 18 9.705 -4.017 -2.844 1.00 0.00 H new ATOM 0 HB2 ARG A 18 10.580 -6.493 -4.392 1.00 0.00 H new ATOM 0 HB3 ARG A 18 11.659 -5.220 -3.857 1.00 0.00 H new ATOM 0 HG2 ARG A 18 10.456 -5.743 -1.482 1.00 0.00 H new ATOM 0 HG3 ARG A 18 10.228 -7.310 -2.234 1.00 0.00 H new ATOM 0 HD2 ARG A 18 12.654 -7.519 -2.648 1.00 0.00 H new ATOM 0 HD3 ARG A 18 12.931 -5.894 -2.055 1.00 0.00 H new ATOM 0 HE ARG A 18 11.544 -7.593 -0.094 1.00 0.00 H new ATOM 0 HH11 ARG A 18 14.702 -6.646 -1.401 1.00 0.00 H new ATOM 0 HH12 ARG A 18 15.578 -7.095 0.065 1.00 0.00 H new ATOM 0 HH21 ARG A 18 12.676 -8.173 1.802 1.00 0.00 H new ATOM 0 HH22 ARG A 18 14.428 -7.962 1.884 1.00 0.00 H new ATOM 273 N SER A 19 10.713 -3.476 -5.350 1.00 0.00 N ATOM 274 CA SER A 19 10.850 -2.756 -6.605 1.00 0.00 C ATOM 275 C SER A 19 10.897 -3.744 -7.772 1.00 0.00 C ATOM 276 O SER A 19 10.004 -3.754 -8.618 1.00 0.00 O ATOM 277 CB SER A 19 12.102 -1.877 -6.602 1.00 0.00 C ATOM 278 OG SER A 19 13.274 -2.619 -6.278 1.00 0.00 O ATOM 0 H SER A 19 11.565 -3.524 -4.791 1.00 0.00 H new ATOM 0 HA SER A 19 9.983 -2.105 -6.723 1.00 0.00 H new ATOM 0 HB2 SER A 19 12.224 -1.416 -7.582 1.00 0.00 H new ATOM 0 HB3 SER A 19 11.975 -1.068 -5.883 1.00 0.00 H new ATOM 0 HG SER A 19 14.052 -2.023 -6.288 1.00 0.00 H new ATOM 284 N ILE A 20 11.949 -4.551 -7.781 1.00 0.00 N ATOM 285 CA ILE A 20 12.124 -5.540 -8.831 1.00 0.00 C ATOM 286 C ILE A 20 12.387 -6.908 -8.198 1.00 0.00 C ATOM 287 O ILE A 20 13.392 -7.551 -8.496 1.00 0.00 O ATOM 288 CB ILE A 20 13.214 -5.095 -9.809 1.00 0.00 C ATOM 289 CG1 ILE A 20 13.066 -3.613 -10.158 1.00 0.00 C ATOM 290 CG2 ILE A 20 13.225 -5.980 -11.057 1.00 0.00 C ATOM 291 CD1 ILE A 20 13.846 -3.269 -11.428 1.00 0.00 C ATOM 0 H ILE A 20 12.688 -4.540 -7.078 1.00 0.00 H new ATOM 0 HA ILE A 20 11.214 -5.632 -9.424 1.00 0.00 H new ATOM 0 HB ILE A 20 14.181 -5.215 -9.321 1.00 0.00 H new ATOM 0 HG12 ILE A 20 12.012 -3.372 -10.298 1.00 0.00 H new ATOM 0 HG13 ILE A 20 13.426 -3.003 -9.329 1.00 0.00 H new ATOM 0 HG21 ILE A 20 14.008 -5.642 -11.735 1.00 0.00 H new ATOM 0 HG22 ILE A 20 13.415 -7.014 -10.768 1.00 0.00 H new ATOM 0 HG23 ILE A 20 12.259 -5.915 -11.558 1.00 0.00 H new ATOM 0 HD11 ILE A 20 13.724 -2.210 -11.654 1.00 0.00 H new ATOM 0 HD12 ILE A 20 14.903 -3.489 -11.277 1.00 0.00 H new ATOM 0 HD13 ILE A 20 13.468 -3.863 -12.260 1.00 0.00 H new ATOM 303 N VAL A 21 11.465 -7.312 -7.336 1.00 0.00 N ATOM 304 CA VAL A 21 11.584 -8.592 -6.659 1.00 0.00 C ATOM 305 C VAL A 21 10.189 -9.181 -6.442 1.00 0.00 C ATOM 306 O VAL A 21 9.196 -8.454 -6.447 1.00 0.00 O ATOM 307 CB VAL A 21 12.371 -8.424 -5.358 1.00 0.00 C ATOM 308 CG1 VAL A 21 13.055 -9.733 -4.958 1.00 0.00 C ATOM 309 CG2 VAL A 21 13.387 -7.287 -5.474 1.00 0.00 C ATOM 0 H VAL A 21 10.633 -6.776 -7.091 1.00 0.00 H new ATOM 0 HA VAL A 21 12.143 -9.298 -7.273 1.00 0.00 H new ATOM 0 HB VAL A 21 11.664 -8.161 -4.571 1.00 0.00 H new ATOM 0 HG11 VAL A 21 13.608 -9.586 -4.030 1.00 0.00 H new ATOM 0 HG12 VAL A 21 12.302 -10.508 -4.813 1.00 0.00 H new ATOM 0 HG13 VAL A 21 13.744 -10.039 -5.746 1.00 0.00 H new ATOM 0 HG21 VAL A 21 13.933 -7.189 -4.535 1.00 0.00 H new ATOM 0 HG22 VAL A 21 14.088 -7.506 -6.280 1.00 0.00 H new ATOM 0 HG23 VAL A 21 12.866 -6.354 -5.690 1.00 0.00 H new ATOM 319 N LYS A 22 10.157 -10.493 -6.257 1.00 0.00 N ATOM 320 CA LYS A 22 8.900 -11.188 -6.039 1.00 0.00 C ATOM 321 C LYS A 22 8.707 -11.426 -4.540 1.00 0.00 C ATOM 322 O LYS A 22 8.221 -12.480 -4.133 1.00 0.00 O ATOM 323 CB LYS A 22 8.842 -12.466 -6.877 1.00 0.00 C ATOM 324 CG LYS A 22 7.741 -12.379 -7.936 1.00 0.00 C ATOM 325 CD LYS A 22 8.107 -11.371 -9.026 1.00 0.00 C ATOM 326 CE LYS A 22 6.949 -10.407 -9.292 1.00 0.00 C ATOM 327 NZ LYS A 22 6.674 -10.315 -10.744 1.00 0.00 N ATOM 0 H LYS A 22 10.982 -11.093 -6.254 1.00 0.00 H new ATOM 0 HA LYS A 22 8.063 -10.576 -6.375 1.00 0.00 H new ATOM 0 HB2 LYS A 22 9.805 -12.632 -7.361 1.00 0.00 H new ATOM 0 HB3 LYS A 22 8.660 -13.323 -6.228 1.00 0.00 H new ATOM 0 HG2 LYS A 22 7.582 -13.361 -8.382 1.00 0.00 H new ATOM 0 HG3 LYS A 22 6.802 -12.087 -7.466 1.00 0.00 H new ATOM 0 HD2 LYS A 22 8.991 -10.809 -8.725 1.00 0.00 H new ATOM 0 HD3 LYS A 22 8.363 -11.900 -9.944 1.00 0.00 H new ATOM 0 HE2 LYS A 22 6.056 -10.748 -8.768 1.00 0.00 H new ATOM 0 HE3 LYS A 22 7.192 -9.420 -8.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 5.885 -9.657 -10.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 7.522 -9.968 -11.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 6.421 -11.255 -11.110 1.00 0.00 H new ATOM 341 N ASN A 23 9.097 -10.428 -3.760 1.00 0.00 N ATOM 342 CA ASN A 23 8.973 -10.516 -2.315 1.00 0.00 C ATOM 343 C ASN A 23 7.996 -9.445 -1.826 1.00 0.00 C ATOM 344 O ASN A 23 7.641 -8.535 -2.573 1.00 0.00 O ATOM 345 CB ASN A 23 10.320 -10.274 -1.631 1.00 0.00 C ATOM 346 CG ASN A 23 10.343 -10.893 -0.232 1.00 0.00 C ATOM 347 OD1 ASN A 23 10.357 -10.207 0.777 1.00 0.00 O ATOM 348 ND2 ASN A 23 10.347 -12.222 -0.228 1.00 0.00 N ATOM 0 H ASN A 23 9.499 -9.555 -4.101 1.00 0.00 H new ATOM 0 HA ASN A 23 8.617 -11.516 -2.067 1.00 0.00 H new ATOM 0 HB2 ASN A 23 11.121 -10.701 -2.235 1.00 0.00 H new ATOM 0 HB3 ASN A 23 10.510 -9.203 -1.562 1.00 0.00 H new ATOM 0 HD21 ASN A 23 10.363 -12.729 0.657 1.00 0.00 H new ATOM 0 HD22 ASN A 23 10.334 -12.735 -1.110 1.00 0.00 H new ATOM 355 N TRP A 24 7.589 -9.589 -0.573 1.00 0.00 N ATOM 356 CA TRP A 24 6.660 -8.646 0.025 1.00 0.00 C ATOM 357 C TRP A 24 7.337 -8.027 1.250 1.00 0.00 C ATOM 358 O TRP A 24 8.032 -8.717 1.994 1.00 0.00 O ATOM 359 CB TRP A 24 5.328 -9.323 0.356 1.00 0.00 C ATOM 360 CG TRP A 24 4.574 -9.844 -0.869 1.00 0.00 C ATOM 361 CD1 TRP A 24 4.723 -11.021 -1.490 1.00 0.00 C ATOM 362 CD2 TRP A 24 3.539 -9.152 -1.599 1.00 0.00 C ATOM 363 NE1 TRP A 24 3.864 -11.139 -2.564 1.00 0.00 N ATOM 364 CE2 TRP A 24 3.121 -9.966 -2.632 1.00 0.00 C ATOM 365 CE3 TRP A 24 2.974 -7.881 -1.394 1.00 0.00 C ATOM 366 CZ2 TRP A 24 2.121 -9.600 -3.541 1.00 0.00 C ATOM 367 CZ3 TRP A 24 1.977 -7.529 -2.311 1.00 0.00 C ATOM 368 CH2 TRP A 24 1.545 -8.337 -3.356 1.00 0.00 C ATOM 0 H TRP A 24 7.886 -10.345 0.044 1.00 0.00 H new ATOM 0 HA TRP A 24 6.415 -7.849 -0.677 1.00 0.00 H new ATOM 0 HB2 TRP A 24 5.514 -10.154 1.036 1.00 0.00 H new ATOM 0 HB3 TRP A 24 4.693 -8.613 0.886 1.00 0.00 H new ATOM 0 HD1 TRP A 24 5.427 -11.782 -1.188 1.00 0.00 H new ATOM 0 HE1 TRP A 24 3.788 -11.939 -3.192 1.00 0.00 H new ATOM 0 HE3 TRP A 24 3.285 -7.228 -0.592 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 1.811 -10.256 -4.341 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 1.511 -6.561 -2.199 1.00 0.00 H new ATOM 0 HH2 TRP A 24 0.768 -7.992 -4.023 1.00 0.00 H new ATOM 379 N GLN A 25 7.110 -6.733 1.422 1.00 0.00 N ATOM 380 CA GLN A 25 7.689 -6.014 2.544 1.00 0.00 C ATOM 381 C GLN A 25 6.588 -5.527 3.488 1.00 0.00 C ATOM 382 O GLN A 25 5.863 -4.586 3.168 1.00 0.00 O ATOM 383 CB GLN A 25 8.552 -4.848 2.060 1.00 0.00 C ATOM 384 CG GLN A 25 10.008 -5.027 2.494 1.00 0.00 C ATOM 385 CD GLN A 25 10.968 -4.532 1.409 1.00 0.00 C ATOM 386 OE1 GLN A 25 10.568 -4.051 0.362 1.00 0.00 O ATOM 387 NE2 GLN A 25 12.254 -4.677 1.718 1.00 0.00 N ATOM 0 H GLN A 25 6.533 -6.164 0.803 1.00 0.00 H new ATOM 0 HA GLN A 25 8.335 -6.698 3.094 1.00 0.00 H new ATOM 0 HB2 GLN A 25 8.499 -4.778 0.974 1.00 0.00 H new ATOM 0 HB3 GLN A 25 8.162 -3.912 2.460 1.00 0.00 H new ATOM 0 HG2 GLN A 25 10.185 -4.479 3.419 1.00 0.00 H new ATOM 0 HG3 GLN A 25 10.202 -6.079 2.704 1.00 0.00 H new ATOM 0 HE21 GLN A 25 12.520 -5.088 2.613 1.00 0.00 H new ATOM 0 HE22 GLN A 25 12.974 -4.377 1.060 1.00 0.00 H new ATOM 396 N GLN A 26 6.496 -6.190 4.631 1.00 0.00 N ATOM 397 CA GLN A 26 5.496 -5.836 5.624 1.00 0.00 C ATOM 398 C GLN A 26 5.879 -4.530 6.322 1.00 0.00 C ATOM 399 O GLN A 26 6.721 -4.525 7.218 1.00 0.00 O ATOM 400 CB GLN A 26 5.307 -6.966 6.638 1.00 0.00 C ATOM 401 CG GLN A 26 3.865 -7.009 7.148 1.00 0.00 C ATOM 402 CD GLN A 26 3.753 -7.879 8.402 1.00 0.00 C ATOM 403 OE1 GLN A 26 3.577 -7.398 9.509 1.00 0.00 O ATOM 404 NE2 GLN A 26 3.864 -9.184 8.167 1.00 0.00 N ATOM 0 H GLN A 26 7.098 -6.971 4.892 1.00 0.00 H new ATOM 0 HA GLN A 26 4.544 -5.686 5.115 1.00 0.00 H new ATOM 0 HB2 GLN A 26 5.562 -7.920 6.177 1.00 0.00 H new ATOM 0 HB3 GLN A 26 5.989 -6.825 7.476 1.00 0.00 H new ATOM 0 HG2 GLN A 26 3.524 -5.998 7.371 1.00 0.00 H new ATOM 0 HG3 GLN A 26 3.211 -7.402 6.369 1.00 0.00 H new ATOM 0 HE21 GLN A 26 4.011 -9.520 7.215 1.00 0.00 H new ATOM 0 HE22 GLN A 26 3.802 -9.848 8.939 1.00 0.00 H new ATOM 413 N ARG A 27 5.242 -3.454 5.884 1.00 0.00 N ATOM 414 CA ARG A 27 5.506 -2.144 6.456 1.00 0.00 C ATOM 415 C ARG A 27 4.234 -1.575 7.088 1.00 0.00 C ATOM 416 O ARG A 27 3.134 -2.049 6.811 1.00 0.00 O ATOM 417 CB ARG A 27 6.019 -1.172 5.392 1.00 0.00 C ATOM 418 CG ARG A 27 7.288 -1.707 4.725 1.00 0.00 C ATOM 419 CD ARG A 27 8.429 -1.829 5.737 1.00 0.00 C ATOM 420 NE ARG A 27 8.956 -3.212 5.741 1.00 0.00 N ATOM 421 CZ ARG A 27 9.628 -3.756 6.764 1.00 0.00 C ATOM 422 NH1 ARG A 27 9.860 -3.038 7.872 1.00 0.00 N ATOM 423 NH2 ARG A 27 10.069 -5.019 6.680 1.00 0.00 N ATOM 0 H ARG A 27 4.544 -3.462 5.140 1.00 0.00 H new ATOM 0 HA ARG A 27 6.273 -2.264 7.221 1.00 0.00 H new ATOM 0 HB2 ARG A 27 5.248 -1.012 4.638 1.00 0.00 H new ATOM 0 HB3 ARG A 27 6.224 -0.204 5.848 1.00 0.00 H new ATOM 0 HG2 ARG A 27 7.086 -2.681 4.280 1.00 0.00 H new ATOM 0 HG3 ARG A 27 7.585 -1.042 3.915 1.00 0.00 H new ATOM 0 HD2 ARG A 27 9.225 -1.128 5.486 1.00 0.00 H new ATOM 0 HD3 ARG A 27 8.073 -1.564 6.733 1.00 0.00 H new ATOM 0 HE ARG A 27 8.798 -3.787 4.913 1.00 0.00 H new ATOM 0 HH11 ARG A 27 9.525 -2.077 7.936 1.00 0.00 H new ATOM 0 HH12 ARG A 27 10.372 -3.453 8.651 1.00 0.00 H new ATOM 0 HH21 ARG A 27 9.893 -5.566 5.837 1.00 0.00 H new ATOM 0 HH22 ARG A 27 10.581 -5.433 7.459 1.00 0.00 H new ATOM 437 N TYR A 28 4.428 -0.565 7.924 1.00 0.00 N ATOM 438 CA TYR A 28 3.310 0.074 8.597 1.00 0.00 C ATOM 439 C TYR A 28 2.746 1.220 7.756 1.00 0.00 C ATOM 440 O TYR A 28 3.340 2.296 7.688 1.00 0.00 O ATOM 441 CB TYR A 28 3.873 0.643 9.901 1.00 0.00 C ATOM 442 CG TYR A 28 2.813 1.251 10.823 1.00 0.00 C ATOM 443 CD1 TYR A 28 1.474 1.020 10.581 1.00 0.00 C ATOM 444 CD2 TYR A 28 3.197 2.029 11.896 1.00 0.00 C ATOM 445 CE1 TYR A 28 0.477 1.592 11.449 1.00 0.00 C ATOM 446 CE2 TYR A 28 2.200 2.602 12.763 1.00 0.00 C ATOM 447 CZ TYR A 28 0.889 2.355 12.497 1.00 0.00 C ATOM 448 OH TYR A 28 -0.052 2.895 13.316 1.00 0.00 O ATOM 0 H TYR A 28 5.342 -0.174 8.150 1.00 0.00 H new ATOM 0 HA TYR A 28 2.504 -0.640 8.766 1.00 0.00 H new ATOM 0 HB2 TYR A 28 4.394 -0.150 10.437 1.00 0.00 H new ATOM 0 HB3 TYR A 28 4.614 1.406 9.663 1.00 0.00 H new ATOM 0 HD1 TYR A 28 1.174 0.411 9.741 1.00 0.00 H new ATOM 0 HD2 TYR A 28 4.245 2.208 12.086 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -0.574 1.419 11.272 1.00 0.00 H new ATOM 0 HE2 TYR A 28 2.487 3.214 13.605 1.00 0.00 H new ATOM 0 HH TYR A 28 0.387 3.414 14.021 1.00 0.00 H new ATOM 458 N PHE A 29 1.607 0.952 7.135 1.00 0.00 N ATOM 459 CA PHE A 29 0.957 1.947 6.300 1.00 0.00 C ATOM 460 C PHE A 29 0.004 2.816 7.124 1.00 0.00 C ATOM 461 O PHE A 29 -0.668 2.321 8.028 1.00 0.00 O ATOM 462 CB PHE A 29 0.151 1.189 5.244 1.00 0.00 C ATOM 463 CG PHE A 29 0.946 0.846 3.982 1.00 0.00 C ATOM 464 CD1 PHE A 29 1.841 -0.177 3.999 1.00 0.00 C ATOM 465 CD2 PHE A 29 0.757 1.566 2.843 1.00 0.00 C ATOM 466 CE1 PHE A 29 2.579 -0.495 2.828 1.00 0.00 C ATOM 467 CE2 PHE A 29 1.495 1.248 1.672 1.00 0.00 C ATOM 468 CZ PHE A 29 2.390 0.225 1.690 1.00 0.00 C ATOM 0 H PHE A 29 1.117 0.059 7.194 1.00 0.00 H new ATOM 0 HA PHE A 29 1.705 2.600 5.850 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -0.228 0.267 5.684 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -0.715 1.788 4.964 1.00 0.00 H new ATOM 0 HD1 PHE A 29 1.991 -0.748 4.903 1.00 0.00 H new ATOM 0 HD2 PHE A 29 0.046 2.379 2.829 1.00 0.00 H new ATOM 0 HE1 PHE A 29 3.290 -1.308 2.841 1.00 0.00 H new ATOM 0 HE2 PHE A 29 1.345 1.819 0.767 1.00 0.00 H new ATOM 0 HZ PHE A 29 2.952 -0.016 0.800 1.00 0.00 H new ATOM 478 N VAL A 30 -0.023 4.096 6.783 1.00 0.00 N ATOM 479 CA VAL A 30 -0.882 5.038 7.481 1.00 0.00 C ATOM 480 C VAL A 30 -1.575 5.942 6.459 1.00 0.00 C ATOM 481 O VAL A 30 -0.976 6.320 5.453 1.00 0.00 O ATOM 482 CB VAL A 30 -0.071 5.818 8.517 1.00 0.00 C ATOM 483 CG1 VAL A 30 -0.800 7.096 8.935 1.00 0.00 C ATOM 484 CG2 VAL A 30 0.248 4.946 9.733 1.00 0.00 C ATOM 0 H VAL A 30 0.536 4.503 6.033 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.662 4.510 8.030 1.00 0.00 H new ATOM 0 HB VAL A 30 0.873 6.107 8.055 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -0.202 7.632 9.672 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.953 7.730 8.062 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.766 6.838 9.370 1.00 0.00 H new ATOM 0 HG21 VAL A 30 0.825 5.525 10.454 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.681 4.613 10.195 1.00 0.00 H new ATOM 0 HG23 VAL A 30 0.827 4.079 9.417 1.00 0.00 H new ATOM 494 N LEU A 31 -2.826 6.265 6.754 1.00 0.00 N ATOM 495 CA LEU A 31 -3.606 7.118 5.874 1.00 0.00 C ATOM 496 C LEU A 31 -3.827 8.473 6.549 1.00 0.00 C ATOM 497 O LEU A 31 -4.586 8.574 7.512 1.00 0.00 O ATOM 498 CB LEU A 31 -4.901 6.418 5.459 1.00 0.00 C ATOM 499 CG LEU A 31 -5.293 6.549 3.986 1.00 0.00 C ATOM 500 CD1 LEU A 31 -6.140 5.358 3.535 1.00 0.00 C ATOM 501 CD2 LEU A 31 -5.993 7.884 3.721 1.00 0.00 C ATOM 0 H LEU A 31 -3.318 5.951 7.590 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.064 7.308 4.948 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.810 5.358 5.697 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.715 6.813 6.067 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.381 6.539 3.389 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -6.405 5.477 2.484 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.571 4.437 3.664 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -7.049 5.310 4.135 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -6.261 7.951 2.667 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -6.895 7.949 4.329 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.322 8.704 3.978 1.00 0.00 H new ATOM 513 N ARG A 32 -3.152 9.481 6.017 1.00 0.00 N ATOM 514 CA ARG A 32 -3.265 10.825 6.556 1.00 0.00 C ATOM 515 C ARG A 32 -3.721 11.798 5.466 1.00 0.00 C ATOM 516 O ARG A 32 -3.087 11.900 4.416 1.00 0.00 O ATOM 517 CB ARG A 32 -1.930 11.303 7.131 1.00 0.00 C ATOM 518 CG ARG A 32 -1.990 11.390 8.657 1.00 0.00 C ATOM 519 CD ARG A 32 -0.606 11.174 9.273 1.00 0.00 C ATOM 520 NE ARG A 32 -0.335 12.218 10.286 1.00 0.00 N ATOM 521 CZ ARG A 32 0.636 12.137 11.206 1.00 0.00 C ATOM 522 NH1 ARG A 32 1.433 11.061 11.247 1.00 0.00 N ATOM 523 NH2 ARG A 32 0.810 13.133 12.086 1.00 0.00 N ATOM 0 H ARG A 32 -2.524 9.394 5.218 1.00 0.00 H new ATOM 0 HA ARG A 32 -4.004 10.799 7.357 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -1.136 10.618 6.833 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -1.681 12.280 6.717 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -2.376 12.365 8.954 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -2.684 10.642 9.041 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -0.553 10.187 9.733 1.00 0.00 H new ATOM 0 HD3 ARG A 32 0.156 11.204 8.495 1.00 0.00 H new ATOM 0 HE ARG A 32 -0.924 13.051 10.284 1.00 0.00 H new ATOM 0 HH11 ARG A 32 1.301 10.303 10.578 1.00 0.00 H new ATOM 0 HH12 ARG A 32 2.172 11.000 11.948 1.00 0.00 H new ATOM 0 HH21 ARG A 32 0.203 13.952 12.055 1.00 0.00 H new ATOM 0 HH22 ARG A 32 1.549 13.071 12.786 1.00 0.00 H new ATOM 537 N ALA A 33 -4.815 12.487 5.752 1.00 0.00 N ATOM 538 CA ALA A 33 -5.363 13.448 4.809 1.00 0.00 C ATOM 539 C ALA A 33 -5.503 12.786 3.437 1.00 0.00 C ATOM 540 O ALA A 33 -5.841 11.607 3.344 1.00 0.00 O ATOM 541 CB ALA A 33 -4.470 14.689 4.769 1.00 0.00 C ATOM 0 H ALA A 33 -5.338 12.399 6.624 1.00 0.00 H new ATOM 0 HA ALA A 33 -6.356 13.771 5.122 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -4.880 15.410 4.062 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -4.427 15.138 5.761 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -3.466 14.405 4.455 1.00 0.00 H new ATOM 547 N GLN A 34 -5.236 13.573 2.405 1.00 0.00 N ATOM 548 CA GLN A 34 -5.327 13.078 1.042 1.00 0.00 C ATOM 549 C GLN A 34 -3.957 12.601 0.557 1.00 0.00 C ATOM 550 O GLN A 34 -3.459 13.068 -0.465 1.00 0.00 O ATOM 551 CB GLN A 34 -5.898 14.147 0.108 1.00 0.00 C ATOM 552 CG GLN A 34 -7.200 14.726 0.666 1.00 0.00 C ATOM 553 CD GLN A 34 -7.509 16.086 0.038 1.00 0.00 C ATOM 554 OE1 GLN A 34 -8.270 16.203 -0.908 1.00 0.00 O ATOM 555 NE2 GLN A 34 -6.878 17.105 0.616 1.00 0.00 N ATOM 0 H GLN A 34 -4.956 14.551 2.486 1.00 0.00 H new ATOM 0 HA GLN A 34 -6.010 12.229 1.030 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -5.168 14.946 -0.025 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -6.080 13.715 -0.876 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -8.022 14.037 0.471 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -7.121 14.831 1.748 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -6.254 16.937 1.405 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -7.018 18.054 0.270 1.00 0.00 H new ATOM 564 N GLN A 35 -3.387 11.675 1.315 1.00 0.00 N ATOM 565 CA GLN A 35 -2.084 11.129 0.975 1.00 0.00 C ATOM 566 C GLN A 35 -1.843 9.820 1.730 1.00 0.00 C ATOM 567 O GLN A 35 -2.178 9.709 2.909 1.00 0.00 O ATOM 568 CB GLN A 35 -0.973 12.141 1.264 1.00 0.00 C ATOM 569 CG GLN A 35 -0.631 12.952 0.013 1.00 0.00 C ATOM 570 CD GLN A 35 0.844 13.358 0.009 1.00 0.00 C ATOM 571 OE1 GLN A 35 1.542 13.271 1.006 1.00 0.00 O ATOM 572 NE2 GLN A 35 1.279 13.804 -1.166 1.00 0.00 N ATOM 0 H GLN A 35 -3.803 11.290 2.163 1.00 0.00 H new ATOM 0 HA GLN A 35 -2.069 10.917 -0.094 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -1.287 12.813 2.063 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -0.084 11.619 1.618 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -0.852 12.364 -0.878 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -1.257 13.843 -0.030 1.00 0.00 H new ATOM 0 HE21 GLN A 35 0.642 13.851 -1.961 1.00 0.00 H new ATOM 0 HE22 GLN A 35 2.250 14.099 -1.272 1.00 0.00 H new ATOM 581 N LEU A 36 -1.265 8.862 1.020 1.00 0.00 N ATOM 582 CA LEU A 36 -0.977 7.566 1.609 1.00 0.00 C ATOM 583 C LEU A 36 0.515 7.481 1.939 1.00 0.00 C ATOM 584 O LEU A 36 1.360 7.733 1.081 1.00 0.00 O ATOM 585 CB LEU A 36 -1.468 6.441 0.695 1.00 0.00 C ATOM 586 CG LEU A 36 -1.269 5.017 1.217 1.00 0.00 C ATOM 587 CD1 LEU A 36 0.214 4.720 1.449 1.00 0.00 C ATOM 588 CD2 LEU A 36 -2.105 4.772 2.475 1.00 0.00 C ATOM 0 H LEU A 36 -0.989 8.958 0.043 1.00 0.00 H new ATOM 0 HA LEU A 36 -1.520 7.445 2.546 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -2.531 6.592 0.505 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.957 6.530 -0.264 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.622 4.322 0.455 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.327 3.701 1.820 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.758 4.827 0.510 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.615 5.420 2.182 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -1.945 3.752 2.825 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -1.806 5.474 3.253 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -3.161 4.915 2.244 1.00 0.00 H new ATOM 600 N TYR A 37 0.793 7.126 3.185 1.00 0.00 N ATOM 601 CA TYR A 37 2.168 7.006 3.640 1.00 0.00 C ATOM 602 C TYR A 37 2.442 5.605 4.192 1.00 0.00 C ATOM 603 O TYR A 37 1.514 4.831 4.417 1.00 0.00 O ATOM 604 CB TYR A 37 2.330 8.027 4.768 1.00 0.00 C ATOM 605 CG TYR A 37 1.787 9.417 4.432 1.00 0.00 C ATOM 606 CD1 TYR A 37 2.564 10.307 3.718 1.00 0.00 C ATOM 607 CD2 TYR A 37 0.521 9.781 4.842 1.00 0.00 C ATOM 608 CE1 TYR A 37 2.052 11.616 3.402 1.00 0.00 C ATOM 609 CE2 TYR A 37 0.009 11.089 4.526 1.00 0.00 C ATOM 610 CZ TYR A 37 0.800 11.942 3.822 1.00 0.00 C ATOM 611 OH TYR A 37 0.318 13.178 3.523 1.00 0.00 O ATOM 0 H TYR A 37 0.090 6.918 3.894 1.00 0.00 H new ATOM 0 HA TYR A 37 2.861 7.180 2.817 1.00 0.00 H new ATOM 0 HB2 TYR A 37 1.821 7.655 5.657 1.00 0.00 H new ATOM 0 HB3 TYR A 37 3.388 8.112 5.018 1.00 0.00 H new ATOM 0 HD1 TYR A 37 3.555 10.022 3.397 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -0.086 9.084 5.400 1.00 0.00 H new ATOM 0 HE1 TYR A 37 2.649 12.323 2.844 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -0.981 11.386 4.841 1.00 0.00 H new ATOM 0 HH TYR A 37 0.736 13.501 2.697 1.00 0.00 H new ATOM 621 N TYR A 38 3.721 5.323 4.394 1.00 0.00 N ATOM 622 CA TYR A 38 4.129 4.030 4.915 1.00 0.00 C ATOM 623 C TYR A 38 5.517 4.109 5.552 1.00 0.00 C ATOM 624 O TYR A 38 6.465 4.582 4.927 1.00 0.00 O ATOM 625 CB TYR A 38 4.186 3.089 3.710 1.00 0.00 C ATOM 626 CG TYR A 38 5.566 3.001 3.055 1.00 0.00 C ATOM 627 CD1 TYR A 38 6.589 2.325 3.687 1.00 0.00 C ATOM 628 CD2 TYR A 38 5.787 3.599 1.830 1.00 0.00 C ATOM 629 CE1 TYR A 38 7.888 2.242 3.070 1.00 0.00 C ATOM 630 CE2 TYR A 38 7.086 3.516 1.213 1.00 0.00 C ATOM 631 CZ TYR A 38 8.072 2.842 1.864 1.00 0.00 C ATOM 632 OH TYR A 38 9.298 2.764 1.281 1.00 0.00 O ATOM 0 H TYR A 38 4.488 5.968 4.206 1.00 0.00 H new ATOM 0 HA TYR A 38 3.433 3.687 5.680 1.00 0.00 H new ATOM 0 HB2 TYR A 38 3.881 2.091 4.026 1.00 0.00 H new ATOM 0 HB3 TYR A 38 3.463 3.423 2.966 1.00 0.00 H new ATOM 0 HD1 TYR A 38 6.416 1.858 4.645 1.00 0.00 H new ATOM 0 HD2 TYR A 38 4.986 4.129 1.335 1.00 0.00 H new ATOM 0 HE1 TYR A 38 8.697 1.715 3.554 1.00 0.00 H new ATOM 0 HE2 TYR A 38 7.273 3.978 0.255 1.00 0.00 H new ATOM 0 HH TYR A 38 9.283 3.237 0.423 1.00 0.00 H new ATOM 642 N TYR A 39 5.593 3.639 6.789 1.00 0.00 N ATOM 643 CA TYR A 39 6.850 3.650 7.518 1.00 0.00 C ATOM 644 C TYR A 39 7.351 2.227 7.770 1.00 0.00 C ATOM 645 O TYR A 39 6.570 1.276 7.743 1.00 0.00 O ATOM 646 CB TYR A 39 6.552 4.319 8.861 1.00 0.00 C ATOM 647 CG TYR A 39 5.809 5.651 8.742 1.00 0.00 C ATOM 648 CD1 TYR A 39 4.455 5.663 8.472 1.00 0.00 C ATOM 649 CD2 TYR A 39 6.491 6.839 8.905 1.00 0.00 C ATOM 650 CE1 TYR A 39 3.755 6.917 8.359 1.00 0.00 C ATOM 651 CE2 TYR A 39 5.791 8.093 8.793 1.00 0.00 C ATOM 652 CZ TYR A 39 4.458 8.070 8.525 1.00 0.00 C ATOM 653 OH TYR A 39 3.797 9.253 8.419 1.00 0.00 O ATOM 0 H TYR A 39 4.804 3.248 7.305 1.00 0.00 H new ATOM 0 HA TYR A 39 7.618 4.175 6.950 1.00 0.00 H new ATOM 0 HB2 TYR A 39 5.959 3.637 9.471 1.00 0.00 H new ATOM 0 HB3 TYR A 39 7.491 4.485 9.389 1.00 0.00 H new ATOM 0 HD1 TYR A 39 3.921 4.733 8.346 1.00 0.00 H new ATOM 0 HD2 TYR A 39 7.550 6.829 9.117 1.00 0.00 H new ATOM 0 HE1 TYR A 39 2.696 6.941 8.147 1.00 0.00 H new ATOM 0 HE2 TYR A 39 6.313 9.030 8.919 1.00 0.00 H new ATOM 0 HH TYR A 39 4.424 9.992 8.562 1.00 0.00 H new ATOM 663 N LYS A 40 8.650 2.124 8.011 1.00 0.00 N ATOM 664 CA LYS A 40 9.263 0.832 8.268 1.00 0.00 C ATOM 665 C LYS A 40 8.716 0.264 9.579 1.00 0.00 C ATOM 666 O LYS A 40 8.457 -0.934 9.680 1.00 0.00 O ATOM 667 CB LYS A 40 10.789 0.948 8.237 1.00 0.00 C ATOM 668 CG LYS A 40 11.290 1.214 6.816 1.00 0.00 C ATOM 669 CD LYS A 40 12.513 0.353 6.496 1.00 0.00 C ATOM 670 CE LYS A 40 12.991 0.591 5.062 1.00 0.00 C ATOM 671 NZ LYS A 40 12.239 -0.264 4.116 1.00 0.00 N ATOM 0 H LYS A 40 9.295 2.914 8.034 1.00 0.00 H new ATOM 0 HA LYS A 40 9.004 0.124 7.481 1.00 0.00 H new ATOM 0 HB2 LYS A 40 11.109 1.755 8.896 1.00 0.00 H new ATOM 0 HB3 LYS A 40 11.235 0.029 8.618 1.00 0.00 H new ATOM 0 HG2 LYS A 40 10.495 1.003 6.101 1.00 0.00 H new ATOM 0 HG3 LYS A 40 11.545 2.268 6.708 1.00 0.00 H new ATOM 0 HD2 LYS A 40 13.317 0.584 7.194 1.00 0.00 H new ATOM 0 HD3 LYS A 40 12.266 -0.700 6.631 1.00 0.00 H new ATOM 0 HE2 LYS A 40 12.858 1.640 4.798 1.00 0.00 H new ATOM 0 HE3 LYS A 40 14.057 0.376 4.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 12.576 -0.090 3.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 12.387 -1.264 4.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 11.225 -0.039 4.175 1.00 0.00 H new ATOM 685 N ASP A 41 8.557 1.152 10.550 1.00 0.00 N ATOM 686 CA ASP A 41 8.045 0.754 11.850 1.00 0.00 C ATOM 687 C ASP A 41 7.152 1.866 12.404 1.00 0.00 C ATOM 688 O ASP A 41 6.977 2.902 11.765 1.00 0.00 O ATOM 689 CB ASP A 41 9.186 0.524 12.844 1.00 0.00 C ATOM 690 CG ASP A 41 10.265 1.608 12.851 1.00 0.00 C ATOM 691 OD1 ASP A 41 9.986 2.691 12.292 1.00 0.00 O ATOM 692 OD2 ASP A 41 11.345 1.330 13.415 1.00 0.00 O ATOM 0 H ASP A 41 8.774 2.145 10.462 1.00 0.00 H new ATOM 0 HA ASP A 41 7.485 -0.172 11.723 1.00 0.00 H new ATOM 0 HB2 ASP A 41 8.765 0.445 13.846 1.00 0.00 H new ATOM 0 HB3 ASP A 41 9.656 -0.434 12.620 1.00 0.00 H new ATOM 697 N GLU A 42 6.610 1.612 13.586 1.00 0.00 N ATOM 698 CA GLU A 42 5.740 2.579 14.233 1.00 0.00 C ATOM 699 C GLU A 42 6.520 3.382 15.276 1.00 0.00 C ATOM 700 O GLU A 42 6.011 3.655 16.362 1.00 0.00 O ATOM 701 CB GLU A 42 4.529 1.889 14.866 1.00 0.00 C ATOM 702 CG GLU A 42 4.964 0.909 15.957 1.00 0.00 C ATOM 703 CD GLU A 42 4.514 1.390 17.338 1.00 0.00 C ATOM 704 OE1 GLU A 42 3.427 2.004 17.398 1.00 0.00 O ATOM 705 OE2 GLU A 42 5.268 1.133 18.301 1.00 0.00 O ATOM 0 H GLU A 42 6.757 0.751 14.112 1.00 0.00 H new ATOM 0 HA GLU A 42 5.370 3.269 13.475 1.00 0.00 H new ATOM 0 HB2 GLU A 42 3.860 2.638 15.291 1.00 0.00 H new ATOM 0 HB3 GLU A 42 3.966 1.358 14.098 1.00 0.00 H new ATOM 0 HG2 GLU A 42 4.542 -0.076 15.756 1.00 0.00 H new ATOM 0 HG3 GLU A 42 6.048 0.800 15.942 1.00 0.00 H new ATOM 712 N GLU A 43 7.743 3.737 14.909 1.00 0.00 N ATOM 713 CA GLU A 43 8.598 4.503 15.800 1.00 0.00 C ATOM 714 C GLU A 43 9.091 5.772 15.101 1.00 0.00 C ATOM 715 O GLU A 43 8.914 6.876 15.614 1.00 0.00 O ATOM 716 CB GLU A 43 9.774 3.657 16.293 1.00 0.00 C ATOM 717 CG GLU A 43 9.823 3.625 17.822 1.00 0.00 C ATOM 718 CD GLU A 43 11.004 2.786 18.315 1.00 0.00 C ATOM 719 OE1 GLU A 43 10.979 1.564 18.055 1.00 0.00 O ATOM 720 OE2 GLU A 43 11.904 3.387 18.940 1.00 0.00 O ATOM 0 H GLU A 43 8.162 3.508 14.007 1.00 0.00 H new ATOM 0 HA GLU A 43 8.012 4.795 16.672 1.00 0.00 H new ATOM 0 HB2 GLU A 43 9.683 2.642 15.907 1.00 0.00 H new ATOM 0 HB3 GLU A 43 10.708 4.064 15.904 1.00 0.00 H new ATOM 0 HG2 GLU A 43 9.908 4.641 18.208 1.00 0.00 H new ATOM 0 HG3 GLU A 43 8.892 3.213 18.211 1.00 0.00 H new ATOM 727 N ASP A 44 9.699 5.572 13.941 1.00 0.00 N ATOM 728 CA ASP A 44 10.218 6.686 13.166 1.00 0.00 C ATOM 729 C ASP A 44 9.123 7.743 13.004 1.00 0.00 C ATOM 730 O ASP A 44 7.949 7.467 13.242 1.00 0.00 O ATOM 731 CB ASP A 44 10.649 6.233 11.770 1.00 0.00 C ATOM 732 CG ASP A 44 12.067 6.644 11.366 1.00 0.00 C ATOM 733 OD1 ASP A 44 12.428 7.803 11.663 1.00 0.00 O ATOM 734 OD2 ASP A 44 12.756 5.789 10.769 1.00 0.00 O ATOM 0 H ASP A 44 9.844 4.655 13.519 1.00 0.00 H new ATOM 0 HA ASP A 44 11.080 7.092 13.695 1.00 0.00 H new ATOM 0 HB2 ASP A 44 10.573 5.147 11.717 1.00 0.00 H new ATOM 0 HB3 ASP A 44 9.948 6.638 11.040 1.00 0.00 H new ATOM 739 N THR A 45 9.547 8.931 12.598 1.00 0.00 N ATOM 740 CA THR A 45 8.618 10.030 12.401 1.00 0.00 C ATOM 741 C THR A 45 8.823 10.661 11.022 1.00 0.00 C ATOM 742 O THR A 45 8.702 11.875 10.867 1.00 0.00 O ATOM 743 CB THR A 45 8.802 11.018 13.555 1.00 0.00 C ATOM 744 OG1 THR A 45 10.215 11.093 13.725 1.00 0.00 O ATOM 745 CG2 THR A 45 8.294 10.463 14.887 1.00 0.00 C ATOM 0 H THR A 45 10.522 9.156 12.400 1.00 0.00 H new ATOM 0 HA THR A 45 7.585 9.682 12.414 1.00 0.00 H new ATOM 0 HB THR A 45 8.278 11.946 13.326 1.00 0.00 H new ATOM 0 HG1 THR A 45 10.424 11.714 14.453 1.00 0.00 H new ATOM 0 HG21 THR A 45 8.448 11.203 15.672 1.00 0.00 H new ATOM 0 HG22 THR A 45 7.231 10.237 14.805 1.00 0.00 H new ATOM 0 HG23 THR A 45 8.841 9.553 15.134 1.00 0.00 H new ATOM 753 N LYS A 46 9.130 9.808 10.056 1.00 0.00 N ATOM 754 CA LYS A 46 9.353 10.266 8.696 1.00 0.00 C ATOM 755 C LYS A 46 8.758 9.253 7.716 1.00 0.00 C ATOM 756 O LYS A 46 9.110 8.074 7.747 1.00 0.00 O ATOM 757 CB LYS A 46 10.839 10.548 8.462 1.00 0.00 C ATOM 758 CG LYS A 46 11.037 11.513 7.292 1.00 0.00 C ATOM 759 CD LYS A 46 11.431 12.905 7.789 1.00 0.00 C ATOM 760 CE LYS A 46 11.768 13.831 6.619 1.00 0.00 C ATOM 761 NZ LYS A 46 13.145 13.578 6.139 1.00 0.00 N ATOM 0 H LYS A 46 9.230 8.802 10.189 1.00 0.00 H new ATOM 0 HA LYS A 46 8.841 11.213 8.525 1.00 0.00 H new ATOM 0 HB2 LYS A 46 11.279 10.971 9.365 1.00 0.00 H new ATOM 0 HB3 LYS A 46 11.363 9.614 8.260 1.00 0.00 H new ATOM 0 HG2 LYS A 46 11.810 11.129 6.626 1.00 0.00 H new ATOM 0 HG3 LYS A 46 10.118 11.578 6.710 1.00 0.00 H new ATOM 0 HD2 LYS A 46 10.614 13.332 8.371 1.00 0.00 H new ATOM 0 HD3 LYS A 46 12.290 12.827 8.455 1.00 0.00 H new ATOM 0 HE2 LYS A 46 11.059 13.674 5.807 1.00 0.00 H new ATOM 0 HE3 LYS A 46 11.670 14.871 6.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 13.358 14.215 5.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 13.819 13.751 6.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 13.226 12.591 5.823 1.00 0.00 H new ATOM 775 N PRO A 47 7.844 9.761 6.848 1.00 0.00 N ATOM 776 CA PRO A 47 7.197 8.913 5.861 1.00 0.00 C ATOM 777 C PRO A 47 8.152 8.580 4.714 1.00 0.00 C ATOM 778 O PRO A 47 8.873 9.450 4.228 1.00 0.00 O ATOM 779 CB PRO A 47 5.976 9.698 5.408 1.00 0.00 C ATOM 780 CG PRO A 47 6.236 11.141 5.809 1.00 0.00 C ATOM 781 CD PRO A 47 7.403 11.152 6.782 1.00 0.00 C ATOM 0 HA PRO A 47 6.904 7.944 6.266 1.00 0.00 H new ATOM 0 HB2 PRO A 47 5.834 9.612 4.331 1.00 0.00 H new ATOM 0 HB3 PRO A 47 5.070 9.318 5.881 1.00 0.00 H new ATOM 0 HG2 PRO A 47 6.465 11.746 4.931 1.00 0.00 H new ATOM 0 HG3 PRO A 47 5.349 11.574 6.272 1.00 0.00 H new ATOM 0 HD2 PRO A 47 8.203 11.805 6.433 1.00 0.00 H new ATOM 0 HD3 PRO A 47 7.098 11.518 7.762 1.00 0.00 H new ATOM 789 N GLN A 48 8.127 7.317 4.313 1.00 0.00 N ATOM 790 CA GLN A 48 8.982 6.857 3.232 1.00 0.00 C ATOM 791 C GLN A 48 8.378 7.239 1.879 1.00 0.00 C ATOM 792 O GLN A 48 8.899 8.110 1.186 1.00 0.00 O ATOM 793 CB GLN A 48 9.216 5.348 3.322 1.00 0.00 C ATOM 794 CG GLN A 48 10.120 5.004 4.508 1.00 0.00 C ATOM 795 CD GLN A 48 11.595 5.195 4.147 1.00 0.00 C ATOM 796 OE1 GLN A 48 11.945 5.593 3.049 1.00 0.00 O ATOM 797 NE2 GLN A 48 12.436 4.889 5.131 1.00 0.00 N ATOM 0 H GLN A 48 7.528 6.598 4.718 1.00 0.00 H new ATOM 0 HA GLN A 48 9.951 7.347 3.327 1.00 0.00 H new ATOM 0 HB2 GLN A 48 8.261 4.834 3.427 1.00 0.00 H new ATOM 0 HB3 GLN A 48 9.671 4.991 2.398 1.00 0.00 H new ATOM 0 HG2 GLN A 48 9.865 5.636 5.359 1.00 0.00 H new ATOM 0 HG3 GLN A 48 9.947 3.972 4.814 1.00 0.00 H new ATOM 0 HE21 GLN A 48 12.075 4.561 6.027 1.00 0.00 H new ATOM 0 HE22 GLN A 48 13.442 4.982 4.990 1.00 0.00 H new ATOM 806 N GLY A 49 7.286 6.567 1.544 1.00 0.00 N ATOM 807 CA GLY A 49 6.605 6.824 0.286 1.00 0.00 C ATOM 808 C GLY A 49 5.318 7.619 0.512 1.00 0.00 C ATOM 809 O GLY A 49 4.697 7.514 1.569 1.00 0.00 O ATOM 0 H GLY A 49 6.856 5.845 2.122 1.00 0.00 H new ATOM 0 HA2 GLY A 49 7.265 7.376 -0.383 1.00 0.00 H new ATOM 0 HA3 GLY A 49 6.372 5.879 -0.205 1.00 0.00 H new ATOM 813 N CYS A 50 4.956 8.397 -0.497 1.00 0.00 N ATOM 814 CA CYS A 50 3.754 9.210 -0.422 1.00 0.00 C ATOM 815 C CYS A 50 3.018 9.104 -1.760 1.00 0.00 C ATOM 816 O CYS A 50 3.561 9.470 -2.801 1.00 0.00 O ATOM 817 CB CYS A 50 4.074 10.661 -0.059 1.00 0.00 C ATOM 818 SG CYS A 50 5.177 11.393 -1.323 1.00 0.00 S ATOM 0 H CYS A 50 5.474 8.482 -1.371 1.00 0.00 H new ATOM 0 HA CYS A 50 3.110 8.839 0.376 1.00 0.00 H new ATOM 0 HB2 CYS A 50 3.152 11.239 0.010 1.00 0.00 H new ATOM 0 HB3 CYS A 50 4.551 10.703 0.920 1.00 0.00 H new ATOM 0 HG CYS A 50 4.928 10.856 -2.480 1.00 0.00 H new ATOM 824 N MET A 51 1.794 8.604 -1.687 1.00 0.00 N ATOM 825 CA MET A 51 0.978 8.446 -2.880 1.00 0.00 C ATOM 826 C MET A 51 -0.258 9.346 -2.822 1.00 0.00 C ATOM 827 O MET A 51 -1.042 9.271 -1.877 1.00 0.00 O ATOM 828 CB MET A 51 0.540 6.986 -3.009 1.00 0.00 C ATOM 829 CG MET A 51 0.546 6.540 -4.473 1.00 0.00 C ATOM 830 SD MET A 51 2.183 6.006 -4.942 1.00 0.00 S ATOM 831 CE MET A 51 1.773 4.562 -5.908 1.00 0.00 C ATOM 0 H MET A 51 1.347 8.303 -0.821 1.00 0.00 H new ATOM 0 HA MET A 51 1.574 8.734 -3.746 1.00 0.00 H new ATOM 0 HB2 MET A 51 1.208 6.349 -2.428 1.00 0.00 H new ATOM 0 HB3 MET A 51 -0.460 6.864 -2.592 1.00 0.00 H new ATOM 0 HG2 MET A 51 -0.166 5.727 -4.617 1.00 0.00 H new ATOM 0 HG3 MET A 51 0.225 7.362 -5.113 1.00 0.00 H new ATOM 0 HE1 MET A 51 2.682 4.004 -6.131 1.00 0.00 H new ATOM 0 HE2 MET A 51 1.088 3.929 -5.344 1.00 0.00 H new ATOM 0 HE3 MET A 51 1.298 4.870 -6.840 1.00 0.00 H new ATOM 841 N TYR A 52 -0.393 10.178 -3.844 1.00 0.00 N ATOM 842 CA TYR A 52 -1.519 11.092 -3.922 1.00 0.00 C ATOM 843 C TYR A 52 -2.818 10.337 -4.212 1.00 0.00 C ATOM 844 O TYR A 52 -3.035 9.874 -5.330 1.00 0.00 O ATOM 845 CB TYR A 52 -1.219 12.034 -5.090 1.00 0.00 C ATOM 846 CG TYR A 52 -1.831 13.428 -4.938 1.00 0.00 C ATOM 847 CD1 TYR A 52 -1.797 14.067 -3.715 1.00 0.00 C ATOM 848 CD2 TYR A 52 -2.416 14.047 -6.024 1.00 0.00 C ATOM 849 CE1 TYR A 52 -2.373 15.379 -3.572 1.00 0.00 C ATOM 850 CE2 TYR A 52 -2.992 15.359 -5.881 1.00 0.00 C ATOM 851 CZ TYR A 52 -2.941 15.960 -4.662 1.00 0.00 C ATOM 852 OH TYR A 52 -3.485 17.200 -4.527 1.00 0.00 O ATOM 0 H TYR A 52 0.260 10.238 -4.626 1.00 0.00 H new ATOM 0 HA TYR A 52 -1.647 11.624 -2.979 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -0.139 12.132 -5.196 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -1.590 11.584 -6.011 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -1.338 13.583 -2.865 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -2.442 13.547 -6.981 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -2.354 15.890 -2.621 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -3.454 15.854 -6.722 1.00 0.00 H new ATOM 0 HH TYR A 52 -3.854 17.491 -5.387 1.00 0.00 H new ATOM 862 N LEU A 53 -3.650 10.238 -3.185 1.00 0.00 N ATOM 863 CA LEU A 53 -4.921 9.548 -3.315 1.00 0.00 C ATOM 864 C LEU A 53 -5.753 10.222 -4.409 1.00 0.00 C ATOM 865 O LEU A 53 -6.367 9.545 -5.232 1.00 0.00 O ATOM 866 CB LEU A 53 -5.631 9.472 -1.962 1.00 0.00 C ATOM 867 CG LEU A 53 -4.870 8.757 -0.844 1.00 0.00 C ATOM 868 CD1 LEU A 53 -5.784 8.481 0.352 1.00 0.00 C ATOM 869 CD2 LEU A 53 -4.205 7.480 -1.364 1.00 0.00 C ATOM 0 H LEU A 53 -3.468 10.625 -2.259 1.00 0.00 H new ATOM 0 HA LEU A 53 -4.763 8.515 -3.624 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -5.852 10.487 -1.632 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -6.587 8.968 -2.104 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.075 9.416 -0.496 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -5.218 7.972 1.132 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -6.170 9.424 0.740 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -6.615 7.850 0.037 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.671 6.991 -0.550 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.967 6.806 -1.755 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -3.503 7.733 -2.158 1.00 0.00 H new ATOM 881 N PRO A 54 -5.744 11.581 -4.382 1.00 0.00 N ATOM 882 CA PRO A 54 -6.490 12.354 -5.361 1.00 0.00 C ATOM 883 C PRO A 54 -5.786 12.343 -6.719 1.00 0.00 C ATOM 884 O PRO A 54 -5.484 13.398 -7.275 1.00 0.00 O ATOM 885 CB PRO A 54 -6.601 13.746 -4.761 1.00 0.00 C ATOM 886 CG PRO A 54 -5.522 13.827 -3.693 1.00 0.00 C ATOM 887 CD PRO A 54 -5.028 12.416 -3.422 1.00 0.00 C ATOM 0 HA PRO A 54 -7.479 11.940 -5.559 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -6.455 14.512 -5.522 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -7.589 13.908 -4.331 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -4.701 14.461 -4.027 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -5.920 14.274 -2.782 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -3.949 12.341 -3.559 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -5.241 12.112 -2.397 1.00 0.00 H new ATOM 895 N GLY A 55 -5.545 11.138 -7.215 1.00 0.00 N ATOM 896 CA GLY A 55 -4.883 10.975 -8.498 1.00 0.00 C ATOM 897 C GLY A 55 -4.178 9.620 -8.583 1.00 0.00 C ATOM 898 O GLY A 55 -3.041 9.535 -9.046 1.00 0.00 O ATOM 0 H GLY A 55 -5.797 10.265 -6.751 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -5.614 11.060 -9.302 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -4.158 11.776 -8.641 1.00 0.00 H new ATOM 902 N CYS A 56 -4.882 8.593 -8.129 1.00 0.00 N ATOM 903 CA CYS A 56 -4.338 7.246 -8.148 1.00 0.00 C ATOM 904 C CYS A 56 -5.399 6.307 -8.725 1.00 0.00 C ATOM 905 O CYS A 56 -6.548 6.704 -8.911 1.00 0.00 O ATOM 906 CB CYS A 56 -3.878 6.802 -6.758 1.00 0.00 C ATOM 907 SG CYS A 56 -2.054 6.897 -6.642 1.00 0.00 S ATOM 0 H CYS A 56 -5.824 8.667 -7.746 1.00 0.00 H new ATOM 0 HA CYS A 56 -3.449 7.219 -8.779 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -4.333 7.435 -5.996 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -4.210 5.782 -6.565 1.00 0.00 H new ATOM 0 HG CYS A 56 -1.711 8.035 -6.114 1.00 0.00 H new ATOM 913 N THR A 57 -4.976 5.080 -8.992 1.00 0.00 N ATOM 914 CA THR A 57 -5.876 4.082 -9.544 1.00 0.00 C ATOM 915 C THR A 57 -5.716 2.752 -8.804 1.00 0.00 C ATOM 916 O THR A 57 -4.725 2.049 -8.992 1.00 0.00 O ATOM 917 CB THR A 57 -5.603 3.978 -11.046 1.00 0.00 C ATOM 918 OG1 THR A 57 -6.391 5.021 -11.615 1.00 0.00 O ATOM 919 CG2 THR A 57 -6.178 2.700 -11.659 1.00 0.00 C ATOM 0 H THR A 57 -4.022 4.754 -8.836 1.00 0.00 H new ATOM 0 HA THR A 57 -6.918 4.371 -9.408 1.00 0.00 H new ATOM 0 HB THR A 57 -4.528 4.013 -11.222 1.00 0.00 H new ATOM 0 HG1 THR A 57 -6.272 5.027 -12.588 1.00 0.00 H new ATOM 0 HG21 THR A 57 -5.956 2.676 -12.726 1.00 0.00 H new ATOM 0 HG22 THR A 57 -5.730 1.831 -11.176 1.00 0.00 H new ATOM 0 HG23 THR A 57 -7.258 2.680 -11.512 1.00 0.00 H new ATOM 927 N ILE A 58 -6.706 2.448 -7.979 1.00 0.00 N ATOM 928 CA ILE A 58 -6.688 1.215 -7.210 1.00 0.00 C ATOM 929 C ILE A 58 -7.234 0.074 -8.070 1.00 0.00 C ATOM 930 O ILE A 58 -8.419 0.053 -8.400 1.00 0.00 O ATOM 931 CB ILE A 58 -7.433 1.398 -5.886 1.00 0.00 C ATOM 932 CG1 ILE A 58 -6.727 2.423 -4.996 1.00 0.00 C ATOM 933 CG2 ILE A 58 -7.626 0.057 -5.176 1.00 0.00 C ATOM 934 CD1 ILE A 58 -7.567 3.693 -4.848 1.00 0.00 C ATOM 0 H ILE A 58 -7.527 3.034 -7.826 1.00 0.00 H new ATOM 0 HA ILE A 58 -5.666 0.950 -6.940 1.00 0.00 H new ATOM 0 HB ILE A 58 -8.426 1.792 -6.104 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -6.541 1.989 -4.013 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -5.756 2.673 -5.423 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -8.158 0.215 -4.238 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -8.205 -0.612 -5.813 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -6.653 -0.389 -4.971 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -7.042 4.404 -4.211 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -7.731 4.137 -5.830 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -8.528 3.443 -4.398 1.00 0.00 H new ATOM 946 N LYS A 59 -6.344 -0.846 -8.410 1.00 0.00 N ATOM 947 CA LYS A 59 -6.722 -1.988 -9.226 1.00 0.00 C ATOM 948 C LYS A 59 -6.524 -3.273 -8.420 1.00 0.00 C ATOM 949 O LYS A 59 -5.457 -3.495 -7.850 1.00 0.00 O ATOM 950 CB LYS A 59 -5.962 -1.972 -10.554 1.00 0.00 C ATOM 951 CG LYS A 59 -6.032 -0.591 -11.210 1.00 0.00 C ATOM 952 CD LYS A 59 -6.017 -0.707 -12.735 1.00 0.00 C ATOM 953 CE LYS A 59 -4.668 -1.232 -13.232 1.00 0.00 C ATOM 954 NZ LYS A 59 -4.841 -2.000 -14.485 1.00 0.00 N ATOM 0 H LYS A 59 -5.362 -0.824 -8.136 1.00 0.00 H new ATOM 0 HA LYS A 59 -7.779 -1.936 -9.489 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -4.921 -2.245 -10.384 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -6.382 -2.720 -11.227 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -6.939 -0.078 -10.890 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -5.189 0.016 -10.880 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -6.814 -1.376 -13.060 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -6.218 0.268 -13.179 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -3.986 -0.398 -13.401 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -4.214 -1.866 -12.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -3.916 -2.349 -14.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -5.475 -2.806 -14.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -5.254 -1.385 -15.215 1.00 0.00 H new ATOM 968 N GLU A 60 -7.570 -4.086 -8.398 1.00 0.00 N ATOM 969 CA GLU A 60 -7.525 -5.344 -7.672 1.00 0.00 C ATOM 970 C GLU A 60 -6.796 -6.407 -8.495 1.00 0.00 C ATOM 971 O GLU A 60 -7.307 -6.865 -9.516 1.00 0.00 O ATOM 972 CB GLU A 60 -8.933 -5.811 -7.296 1.00 0.00 C ATOM 973 CG GLU A 60 -9.460 -5.043 -6.082 1.00 0.00 C ATOM 974 CD GLU A 60 -10.797 -5.617 -5.609 1.00 0.00 C ATOM 975 OE1 GLU A 60 -10.859 -6.855 -5.449 1.00 0.00 O ATOM 976 OE2 GLU A 60 -11.727 -4.804 -5.418 1.00 0.00 O ATOM 0 H GLU A 60 -8.454 -3.898 -8.871 1.00 0.00 H new ATOM 0 HA GLU A 60 -6.971 -5.187 -6.747 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -9.606 -5.667 -8.142 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -8.920 -6.879 -7.077 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -8.732 -5.092 -5.272 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -9.582 -3.990 -6.338 1.00 0.00 H new ATOM 983 N ILE A 61 -5.613 -6.769 -8.021 1.00 0.00 N ATOM 984 CA ILE A 61 -4.809 -7.770 -8.701 1.00 0.00 C ATOM 985 C ILE A 61 -5.118 -9.150 -8.117 1.00 0.00 C ATOM 986 O ILE A 61 -5.322 -9.286 -6.911 1.00 0.00 O ATOM 987 CB ILE A 61 -3.326 -7.396 -8.642 1.00 0.00 C ATOM 988 CG1 ILE A 61 -3.141 -5.878 -8.693 1.00 0.00 C ATOM 989 CG2 ILE A 61 -2.538 -8.107 -9.744 1.00 0.00 C ATOM 990 CD1 ILE A 61 -3.826 -5.283 -9.925 1.00 0.00 C ATOM 0 H ILE A 61 -5.192 -6.387 -7.174 1.00 0.00 H new ATOM 0 HA ILE A 61 -5.064 -7.807 -9.760 1.00 0.00 H new ATOM 0 HB ILE A 61 -2.925 -7.737 -7.688 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -3.553 -5.427 -7.790 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.078 -5.638 -8.712 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.487 -7.824 -9.680 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.632 -9.186 -9.620 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -2.933 -7.818 -10.718 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -3.679 -4.203 -9.937 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -3.395 -5.718 -10.827 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -4.893 -5.504 -9.890 1.00 0.00 H new ATOM 1002 N ALA A 62 -5.143 -10.139 -8.998 1.00 0.00 N ATOM 1003 CA ALA A 62 -5.425 -11.503 -8.585 1.00 0.00 C ATOM 1004 C ALA A 62 -4.162 -12.351 -8.747 1.00 0.00 C ATOM 1005 O ALA A 62 -3.431 -12.202 -9.726 1.00 0.00 O ATOM 1006 CB ALA A 62 -6.602 -12.049 -9.395 1.00 0.00 C ATOM 0 H ALA A 62 -4.972 -10.023 -9.997 1.00 0.00 H new ATOM 0 HA ALA A 62 -5.711 -11.535 -7.534 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -6.813 -13.072 -9.085 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -7.481 -11.429 -9.222 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -6.351 -12.036 -10.456 1.00 0.00 H new ATOM 1012 N THR A 63 -3.944 -13.223 -7.774 1.00 0.00 N ATOM 1013 CA THR A 63 -2.782 -14.095 -7.796 1.00 0.00 C ATOM 1014 C THR A 63 -2.880 -15.084 -8.959 1.00 0.00 C ATOM 1015 O THR A 63 -3.082 -14.684 -10.104 1.00 0.00 O ATOM 1016 CB THR A 63 -2.673 -14.773 -6.429 1.00 0.00 C ATOM 1017 OG1 THR A 63 -2.728 -13.693 -5.501 1.00 0.00 O ATOM 1018 CG2 THR A 63 -1.296 -15.396 -6.193 1.00 0.00 C ATOM 0 H THR A 63 -4.553 -13.344 -6.965 1.00 0.00 H new ATOM 0 HA THR A 63 -1.866 -13.529 -7.968 1.00 0.00 H new ATOM 0 HB THR A 63 -3.440 -15.543 -6.344 1.00 0.00 H new ATOM 0 HG1 THR A 63 -2.666 -14.043 -4.588 1.00 0.00 H new ATOM 0 HG21 THR A 63 -1.272 -15.864 -5.209 1.00 0.00 H new ATOM 0 HG22 THR A 63 -1.101 -16.148 -6.957 1.00 0.00 H new ATOM 0 HG23 THR A 63 -0.532 -14.620 -6.245 1.00 0.00 H new ATOM 1026 N ASN A 64 -2.732 -16.358 -8.625 1.00 0.00 N ATOM 1027 CA ASN A 64 -2.802 -17.408 -9.627 1.00 0.00 C ATOM 1028 C ASN A 64 -4.184 -17.389 -10.284 1.00 0.00 C ATOM 1029 O ASN A 64 -5.137 -16.857 -9.717 1.00 0.00 O ATOM 1030 CB ASN A 64 -2.598 -18.786 -8.995 1.00 0.00 C ATOM 1031 CG ASN A 64 -1.374 -19.486 -9.590 1.00 0.00 C ATOM 1032 OD1 ASN A 64 -0.565 -18.894 -10.284 1.00 0.00 O ATOM 1033 ND2 ASN A 64 -1.285 -20.776 -9.280 1.00 0.00 N ATOM 0 H ASN A 64 -2.564 -16.687 -7.674 1.00 0.00 H new ATOM 0 HA ASN A 64 -2.016 -17.227 -10.360 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -2.473 -18.681 -7.917 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -3.485 -19.398 -9.155 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -0.504 -21.332 -9.629 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -1.998 -21.210 -8.693 1.00 0.00 H new ATOM 1040 N PRO A 65 -4.250 -17.991 -11.501 1.00 0.00 N ATOM 1041 CA PRO A 65 -5.498 -18.048 -12.241 1.00 0.00 C ATOM 1042 C PRO A 65 -6.447 -19.087 -11.638 1.00 0.00 C ATOM 1043 O PRO A 65 -7.653 -18.859 -11.559 1.00 0.00 O ATOM 1044 CB PRO A 65 -5.094 -18.373 -13.670 1.00 0.00 C ATOM 1045 CG PRO A 65 -3.687 -18.942 -13.587 1.00 0.00 C ATOM 1046 CD PRO A 65 -3.141 -18.632 -12.203 1.00 0.00 C ATOM 0 HA PRO A 65 -6.053 -17.111 -12.201 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -5.781 -19.093 -14.116 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -5.118 -17.480 -14.295 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -3.699 -20.018 -13.760 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -3.051 -18.502 -14.356 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -2.820 -19.540 -11.692 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -2.274 -17.974 -12.258 1.00 0.00 H new ATOM 1054 N GLU A 66 -5.865 -20.204 -11.227 1.00 0.00 N ATOM 1055 CA GLU A 66 -6.643 -21.278 -10.633 1.00 0.00 C ATOM 1056 C GLU A 66 -7.113 -20.880 -9.232 1.00 0.00 C ATOM 1057 O GLU A 66 -8.294 -21.003 -8.911 1.00 0.00 O ATOM 1058 CB GLU A 66 -5.840 -22.579 -10.593 1.00 0.00 C ATOM 1059 CG GLU A 66 -6.732 -23.784 -10.901 1.00 0.00 C ATOM 1060 CD GLU A 66 -6.255 -24.511 -12.160 1.00 0.00 C ATOM 1061 OE1 GLU A 66 -6.581 -24.015 -13.260 1.00 0.00 O ATOM 1062 OE2 GLU A 66 -5.576 -25.547 -11.994 1.00 0.00 O ATOM 0 H GLU A 66 -4.864 -20.389 -11.294 1.00 0.00 H new ATOM 0 HA GLU A 66 -7.522 -21.451 -11.254 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -5.026 -22.530 -11.316 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.386 -22.700 -9.610 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -6.726 -24.471 -10.055 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -7.762 -23.454 -11.036 1.00 0.00 H new ATOM 1069 N GLU A 67 -6.163 -20.413 -8.434 1.00 0.00 N ATOM 1070 CA GLU A 67 -6.465 -19.997 -7.075 1.00 0.00 C ATOM 1071 C GLU A 67 -7.702 -19.096 -7.058 1.00 0.00 C ATOM 1072 O GLU A 67 -7.956 -18.366 -8.015 1.00 0.00 O ATOM 1073 CB GLU A 67 -5.266 -19.294 -6.438 1.00 0.00 C ATOM 1074 CG GLU A 67 -4.377 -20.292 -5.693 1.00 0.00 C ATOM 1075 CD GLU A 67 -4.127 -21.542 -6.540 1.00 0.00 C ATOM 1076 OE1 GLU A 67 -3.802 -21.363 -7.734 1.00 0.00 O ATOM 1077 OE2 GLU A 67 -4.267 -22.647 -5.974 1.00 0.00 O ATOM 0 H GLU A 67 -5.184 -20.314 -8.703 1.00 0.00 H new ATOM 0 HA GLU A 67 -6.679 -20.887 -6.483 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -4.684 -18.789 -7.209 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -5.615 -18.526 -5.747 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -3.426 -19.821 -5.443 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -4.850 -20.574 -4.752 1.00 0.00 H new ATOM 1084 N ALA A 68 -8.439 -19.177 -5.960 1.00 0.00 N ATOM 1085 CA ALA A 68 -9.642 -18.378 -5.806 1.00 0.00 C ATOM 1086 C ALA A 68 -9.665 -17.763 -4.405 1.00 0.00 C ATOM 1087 O ALA A 68 -9.384 -18.444 -3.420 1.00 0.00 O ATOM 1088 CB ALA A 68 -10.871 -19.247 -6.081 1.00 0.00 C ATOM 0 H ALA A 68 -8.226 -19.784 -5.168 1.00 0.00 H new ATOM 0 HA ALA A 68 -9.654 -17.560 -6.526 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -11.774 -18.647 -5.965 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -10.821 -19.636 -7.098 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -10.894 -20.078 -5.376 1.00 0.00 H new ATOM 1094 N GLY A 69 -10.002 -16.482 -4.361 1.00 0.00 N ATOM 1095 CA GLY A 69 -10.065 -15.768 -3.098 1.00 0.00 C ATOM 1096 C GLY A 69 -8.700 -15.179 -2.732 1.00 0.00 C ATOM 1097 O GLY A 69 -7.937 -15.790 -1.985 1.00 0.00 O ATOM 0 H GLY A 69 -10.234 -15.921 -5.180 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -10.804 -14.969 -3.164 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -10.396 -16.444 -2.310 1.00 0.00 H new ATOM 1101 N LYS A 70 -8.435 -14.000 -3.275 1.00 0.00 N ATOM 1102 CA LYS A 70 -7.177 -13.323 -3.015 1.00 0.00 C ATOM 1103 C LYS A 70 -7.440 -11.831 -2.798 1.00 0.00 C ATOM 1104 O LYS A 70 -8.237 -11.227 -3.515 1.00 0.00 O ATOM 1105 CB LYS A 70 -6.171 -13.613 -4.131 1.00 0.00 C ATOM 1106 CG LYS A 70 -6.432 -14.983 -4.760 1.00 0.00 C ATOM 1107 CD LYS A 70 -7.579 -14.914 -5.770 1.00 0.00 C ATOM 1108 CE LYS A 70 -7.047 -14.878 -7.204 1.00 0.00 C ATOM 1109 NZ LYS A 70 -8.143 -15.109 -8.170 1.00 0.00 N ATOM 0 H LYS A 70 -9.070 -13.497 -3.894 1.00 0.00 H new ATOM 0 HA LYS A 70 -6.723 -13.704 -2.100 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -6.237 -12.839 -4.896 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -5.158 -13.580 -3.730 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -5.528 -15.338 -5.255 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -6.673 -15.705 -3.980 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -8.233 -15.777 -5.643 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -8.182 -14.026 -5.580 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -6.579 -13.913 -7.400 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -6.276 -15.638 -7.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -7.781 -14.997 -9.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -8.516 -16.072 -8.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -8.904 -14.420 -8.003 1.00 0.00 H new ATOM 1123 N PHE A 71 -6.757 -11.280 -1.805 1.00 0.00 N ATOM 1124 CA PHE A 71 -6.908 -9.871 -1.485 1.00 0.00 C ATOM 1125 C PHE A 71 -5.639 -9.091 -1.834 1.00 0.00 C ATOM 1126 O PHE A 71 -4.851 -8.751 -0.952 1.00 0.00 O ATOM 1127 CB PHE A 71 -7.150 -9.779 0.023 1.00 0.00 C ATOM 1128 CG PHE A 71 -8.102 -10.846 0.567 1.00 0.00 C ATOM 1129 CD1 PHE A 71 -9.155 -11.264 -0.185 1.00 0.00 C ATOM 1130 CD2 PHE A 71 -7.894 -11.376 1.802 1.00 0.00 C ATOM 1131 CE1 PHE A 71 -10.039 -12.254 0.320 1.00 0.00 C ATOM 1132 CE2 PHE A 71 -8.778 -12.367 2.307 1.00 0.00 C ATOM 1133 CZ PHE A 71 -9.832 -12.785 1.555 1.00 0.00 C ATOM 0 H PHE A 71 -6.098 -11.784 -1.212 1.00 0.00 H new ATOM 0 HA PHE A 71 -7.733 -9.445 -2.057 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -6.194 -9.862 0.540 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -7.554 -8.794 0.256 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -9.319 -10.843 -1.166 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -7.057 -11.044 2.399 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -10.876 -12.585 -0.277 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -8.613 -12.788 3.288 1.00 0.00 H new ATOM 0 HZ PHE A 71 -10.504 -13.538 1.939 1.00 0.00 H new ATOM 1143 N VAL A 72 -5.480 -8.829 -3.123 1.00 0.00 N ATOM 1144 CA VAL A 72 -4.320 -8.095 -3.600 1.00 0.00 C ATOM 1145 C VAL A 72 -4.785 -6.919 -4.462 1.00 0.00 C ATOM 1146 O VAL A 72 -5.700 -7.062 -5.272 1.00 0.00 O ATOM 1147 CB VAL A 72 -3.371 -9.039 -4.340 1.00 0.00 C ATOM 1148 CG1 VAL A 72 -2.036 -8.353 -4.638 1.00 0.00 C ATOM 1149 CG2 VAL A 72 -3.158 -10.332 -3.550 1.00 0.00 C ATOM 0 H VAL A 72 -6.135 -9.112 -3.852 1.00 0.00 H new ATOM 0 HA VAL A 72 -3.758 -7.682 -2.762 1.00 0.00 H new ATOM 0 HB VAL A 72 -3.833 -9.300 -5.292 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -1.380 -9.046 -5.164 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -2.209 -7.474 -5.259 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -1.566 -8.049 -3.703 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -2.479 -10.986 -4.098 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -2.728 -10.097 -2.576 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -4.115 -10.836 -3.412 1.00 0.00 H new ATOM 1159 N PHE A 73 -4.134 -5.783 -4.257 1.00 0.00 N ATOM 1160 CA PHE A 73 -4.470 -4.583 -5.005 1.00 0.00 C ATOM 1161 C PHE A 73 -3.269 -3.639 -5.094 1.00 0.00 C ATOM 1162 O PHE A 73 -2.582 -3.407 -4.100 1.00 0.00 O ATOM 1163 CB PHE A 73 -5.599 -3.884 -4.246 1.00 0.00 C ATOM 1164 CG PHE A 73 -5.131 -3.100 -3.018 1.00 0.00 C ATOM 1165 CD1 PHE A 73 -4.942 -3.741 -1.834 1.00 0.00 C ATOM 1166 CD2 PHE A 73 -4.904 -1.762 -3.111 1.00 0.00 C ATOM 1167 CE1 PHE A 73 -4.508 -3.014 -0.694 1.00 0.00 C ATOM 1168 CE2 PHE A 73 -4.469 -1.035 -1.972 1.00 0.00 C ATOM 1169 CZ PHE A 73 -4.280 -1.676 -0.787 1.00 0.00 C ATOM 0 H PHE A 73 -3.376 -5.668 -3.584 1.00 0.00 H new ATOM 0 HA PHE A 73 -4.766 -4.848 -6.020 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -6.112 -3.203 -4.925 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -6.328 -4.631 -3.931 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -5.122 -4.803 -1.760 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -5.055 -1.253 -4.051 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -4.359 -3.523 0.247 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -4.288 0.027 -2.046 1.00 0.00 H new ATOM 0 HZ PHE A 73 -3.949 -1.123 0.080 1.00 0.00 H new ATOM 1179 N GLU A 74 -3.053 -3.119 -6.293 1.00 0.00 N ATOM 1180 CA GLU A 74 -1.948 -2.205 -6.525 1.00 0.00 C ATOM 1181 C GLU A 74 -2.474 -0.800 -6.822 1.00 0.00 C ATOM 1182 O GLU A 74 -3.520 -0.645 -7.451 1.00 0.00 O ATOM 1183 CB GLU A 74 -1.050 -2.706 -7.658 1.00 0.00 C ATOM 1184 CG GLU A 74 -1.492 -2.127 -9.004 1.00 0.00 C ATOM 1185 CD GLU A 74 -0.888 -2.917 -10.166 1.00 0.00 C ATOM 1186 OE1 GLU A 74 -0.336 -4.004 -9.887 1.00 0.00 O ATOM 1187 OE2 GLU A 74 -0.991 -2.417 -11.307 1.00 0.00 O ATOM 0 H GLU A 74 -3.625 -3.313 -7.115 1.00 0.00 H new ATOM 0 HA GLU A 74 -1.343 -2.161 -5.619 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -0.016 -2.425 -7.459 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -1.082 -3.795 -7.698 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -2.580 -2.147 -9.073 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -1.187 -1.083 -9.072 1.00 0.00 H new ATOM 1194 N ILE A 75 -1.725 0.189 -6.357 1.00 0.00 N ATOM 1195 CA ILE A 75 -2.103 1.577 -6.566 1.00 0.00 C ATOM 1196 C ILE A 75 -1.237 2.176 -7.675 1.00 0.00 C ATOM 1197 O ILE A 75 -0.011 2.090 -7.625 1.00 0.00 O ATOM 1198 CB ILE A 75 -2.039 2.353 -5.249 1.00 0.00 C ATOM 1199 CG1 ILE A 75 -2.753 1.594 -4.129 1.00 0.00 C ATOM 1200 CG2 ILE A 75 -2.588 3.771 -5.421 1.00 0.00 C ATOM 1201 CD1 ILE A 75 -2.252 2.043 -2.755 1.00 0.00 C ATOM 0 H ILE A 75 -0.858 0.057 -5.836 1.00 0.00 H new ATOM 0 HA ILE A 75 -3.139 1.644 -6.899 1.00 0.00 H new ATOM 0 HB ILE A 75 -0.993 2.446 -4.958 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -3.828 1.760 -4.200 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -2.588 0.523 -4.248 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -2.531 4.301 -4.470 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -1.998 4.302 -6.168 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -3.627 3.722 -5.747 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -2.776 1.488 -1.977 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -1.182 1.853 -2.678 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -2.441 3.109 -2.629 1.00 0.00 H new ATOM 1213 N ILE A 76 -1.909 2.769 -8.652 1.00 0.00 N ATOM 1214 CA ILE A 76 -1.216 3.382 -9.772 1.00 0.00 C ATOM 1215 C ILE A 76 -1.291 4.904 -9.641 1.00 0.00 C ATOM 1216 O ILE A 76 -2.380 5.475 -9.603 1.00 0.00 O ATOM 1217 CB ILE A 76 -1.766 2.851 -11.097 1.00 0.00 C ATOM 1218 CG1 ILE A 76 -1.550 1.340 -11.214 1.00 0.00 C ATOM 1219 CG2 ILE A 76 -1.165 3.609 -12.283 1.00 0.00 C ATOM 1220 CD1 ILE A 76 -2.887 0.600 -11.284 1.00 0.00 C ATOM 0 H ILE A 76 -2.926 2.838 -8.691 1.00 0.00 H new ATOM 0 HA ILE A 76 -0.160 3.112 -9.761 1.00 0.00 H new ATOM 0 HB ILE A 76 -2.842 3.025 -11.115 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.962 1.121 -12.105 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -0.977 0.983 -10.358 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -1.573 3.212 -13.213 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -1.412 4.667 -12.201 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -0.082 3.488 -12.281 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -2.706 -0.472 -11.367 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -3.462 0.802 -10.381 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -3.447 0.942 -12.155 1.00 0.00 H new ATOM 1232 N PRO A 77 -0.088 5.535 -9.574 1.00 0.00 N ATOM 1233 CA PRO A 77 -0.007 6.981 -9.448 1.00 0.00 C ATOM 1234 C PRO A 77 -0.331 7.666 -10.777 1.00 0.00 C ATOM 1235 O PRO A 77 -0.241 7.047 -11.836 1.00 0.00 O ATOM 1236 CB PRO A 77 1.409 7.255 -8.968 1.00 0.00 C ATOM 1237 CG PRO A 77 2.207 6.002 -9.287 1.00 0.00 C ATOM 1238 CD PRO A 77 1.222 4.892 -9.615 1.00 0.00 C ATOM 0 HA PRO A 77 -0.736 7.384 -8.745 1.00 0.00 H new ATOM 0 HB2 PRO A 77 1.830 8.125 -9.471 1.00 0.00 H new ATOM 0 HB3 PRO A 77 1.425 7.466 -7.899 1.00 0.00 H new ATOM 0 HG2 PRO A 77 2.876 6.180 -10.129 1.00 0.00 H new ATOM 0 HG3 PRO A 77 2.831 5.720 -8.438 1.00 0.00 H new ATOM 0 HD2 PRO A 77 1.422 4.463 -10.597 1.00 0.00 H new ATOM 0 HD3 PRO A 77 1.287 4.079 -8.892 1.00 0.00 H new ATOM 1246 N ALA A 78 -0.702 8.934 -10.678 1.00 0.00 N ATOM 1247 CA ALA A 78 -1.039 9.710 -11.859 1.00 0.00 C ATOM 1248 C ALA A 78 0.190 9.815 -12.763 1.00 0.00 C ATOM 1249 O ALA A 78 1.314 9.585 -12.319 1.00 0.00 O ATOM 1250 CB ALA A 78 -1.571 11.080 -11.435 1.00 0.00 C ATOM 0 H ALA A 78 -0.777 9.444 -9.798 1.00 0.00 H new ATOM 0 HA ALA A 78 -1.826 9.218 -12.430 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -1.824 11.662 -12.321 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -2.461 10.950 -10.820 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -0.807 11.605 -10.861 1.00 0.00 H new ATOM 1256 N SER A 79 -0.064 10.164 -14.016 1.00 0.00 N ATOM 1257 CA SER A 79 1.008 10.303 -14.987 1.00 0.00 C ATOM 1258 C SER A 79 1.851 9.027 -15.022 1.00 0.00 C ATOM 1259 O SER A 79 2.692 8.810 -14.152 1.00 0.00 O ATOM 1260 CB SER A 79 1.889 11.512 -14.665 1.00 0.00 C ATOM 1261 OG SER A 79 1.199 12.743 -14.863 1.00 0.00 O ATOM 0 H SER A 79 -0.997 10.355 -14.381 1.00 0.00 H new ATOM 0 HA SER A 79 0.562 10.463 -15.968 1.00 0.00 H new ATOM 0 HB2 SER A 79 2.228 11.449 -13.631 1.00 0.00 H new ATOM 0 HB3 SER A 79 2.779 11.490 -15.294 1.00 0.00 H new ATOM 0 HG SER A 79 1.794 13.490 -14.645 1.00 0.00 H new ATOM 1267 N TRP A 80 1.595 8.215 -16.037 1.00 0.00 N ATOM 1268 CA TRP A 80 2.320 6.965 -16.197 1.00 0.00 C ATOM 1269 C TRP A 80 2.157 6.507 -17.648 1.00 0.00 C ATOM 1270 O TRP A 80 1.193 5.819 -17.981 1.00 0.00 O ATOM 1271 CB TRP A 80 1.845 5.922 -15.184 1.00 0.00 C ATOM 1272 CG TRP A 80 2.344 4.505 -15.469 1.00 0.00 C ATOM 1273 CD1 TRP A 80 3.509 3.951 -15.106 1.00 0.00 C ATOM 1274 CD2 TRP A 80 1.641 3.476 -16.197 1.00 0.00 C ATOM 1275 NE1 TRP A 80 3.608 2.647 -15.545 1.00 0.00 N ATOM 1276 CE2 TRP A 80 2.436 2.348 -16.230 1.00 0.00 C ATOM 1277 CE3 TRP A 80 0.374 3.497 -16.808 1.00 0.00 C ATOM 1278 CZ2 TRP A 80 2.054 1.159 -16.861 1.00 0.00 C ATOM 1279 CZ3 TRP A 80 0.007 2.300 -17.435 1.00 0.00 C ATOM 1280 CH2 TRP A 80 0.796 1.157 -17.477 1.00 0.00 C ATOM 0 H TRP A 80 0.896 8.398 -16.757 1.00 0.00 H new ATOM 0 HA TRP A 80 3.381 7.106 -15.993 1.00 0.00 H new ATOM 0 HB2 TRP A 80 2.177 6.220 -14.189 1.00 0.00 H new ATOM 0 HB3 TRP A 80 0.755 5.916 -15.168 1.00 0.00 H new ATOM 0 HD1 TRP A 80 4.275 4.462 -14.541 1.00 0.00 H new ATOM 0 HE1 TRP A 80 4.397 2.018 -15.395 1.00 0.00 H new ATOM 0 HE3 TRP A 80 -0.265 4.368 -16.795 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 2.695 0.290 -16.872 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 -0.957 2.263 -17.920 1.00 0.00 H new ATOM 0 HH2 TRP A 80 0.441 0.271 -17.982 1.00 0.00 H new ATOM 1291 N ASP A 81 3.114 6.907 -18.472 1.00 0.00 N ATOM 1292 CA ASP A 81 3.089 6.545 -19.879 1.00 0.00 C ATOM 1293 C ASP A 81 4.409 6.960 -20.532 1.00 0.00 C ATOM 1294 O ASP A 81 5.025 6.174 -21.250 1.00 0.00 O ATOM 1295 CB ASP A 81 1.954 7.263 -20.612 1.00 0.00 C ATOM 1296 CG ASP A 81 0.987 6.346 -21.364 1.00 0.00 C ATOM 1297 OD1 ASP A 81 0.532 5.365 -20.737 1.00 0.00 O ATOM 1298 OD2 ASP A 81 0.726 6.646 -22.549 1.00 0.00 O ATOM 0 H ASP A 81 3.912 7.478 -18.192 1.00 0.00 H new ATOM 0 HA ASP A 81 2.939 5.468 -19.947 1.00 0.00 H new ATOM 0 HB2 ASP A 81 1.387 7.848 -19.888 1.00 0.00 H new ATOM 0 HB3 ASP A 81 2.388 7.968 -21.321 1.00 0.00 H new ATOM 1303 N GLN A 82 4.806 8.194 -20.258 1.00 0.00 N ATOM 1304 CA GLN A 82 6.042 8.723 -20.809 1.00 0.00 C ATOM 1305 C GLN A 82 7.159 8.658 -19.765 1.00 0.00 C ATOM 1306 O GLN A 82 7.943 9.596 -19.631 1.00 0.00 O ATOM 1307 CB GLN A 82 5.849 10.153 -21.316 1.00 0.00 C ATOM 1308 CG GLN A 82 5.113 11.007 -20.282 1.00 0.00 C ATOM 1309 CD GLN A 82 3.633 11.150 -20.642 1.00 0.00 C ATOM 1310 OE1 GLN A 82 3.266 11.427 -21.773 1.00 0.00 O ATOM 1311 NE2 GLN A 82 2.805 10.947 -19.621 1.00 0.00 N ATOM 0 H GLN A 82 4.293 8.843 -19.661 1.00 0.00 H new ATOM 0 HA GLN A 82 6.330 8.107 -21.661 1.00 0.00 H new ATOM 0 HB2 GLN A 82 6.819 10.598 -21.537 1.00 0.00 H new ATOM 0 HB3 GLN A 82 5.285 10.139 -22.249 1.00 0.00 H new ATOM 0 HG2 GLN A 82 5.209 10.553 -19.296 1.00 0.00 H new ATOM 0 HG3 GLN A 82 5.574 11.993 -20.225 1.00 0.00 H new ATOM 0 HE21 GLN A 82 3.178 10.718 -18.700 1.00 0.00 H new ATOM 0 HE22 GLN A 82 1.797 11.020 -19.759 1.00 0.00 H new ATOM 1320 N ASN A 83 7.196 7.541 -19.053 1.00 0.00 N ATOM 1321 CA ASN A 83 8.204 7.341 -18.026 1.00 0.00 C ATOM 1322 C ASN A 83 8.939 6.025 -18.288 1.00 0.00 C ATOM 1323 O ASN A 83 8.587 4.990 -17.723 1.00 0.00 O ATOM 1324 CB ASN A 83 7.566 7.259 -16.638 1.00 0.00 C ATOM 1325 CG ASN A 83 8.503 7.826 -15.569 1.00 0.00 C ATOM 1326 OD1 ASN A 83 8.303 8.908 -15.043 1.00 0.00 O ATOM 1327 ND2 ASN A 83 9.535 7.038 -15.280 1.00 0.00 N ATOM 0 H ASN A 83 6.544 6.765 -19.167 1.00 0.00 H new ATOM 0 HA ASN A 83 8.891 8.187 -18.058 1.00 0.00 H new ATOM 0 HB2 ASN A 83 6.626 7.811 -16.633 1.00 0.00 H new ATOM 0 HB3 ASN A 83 7.327 6.221 -16.404 1.00 0.00 H new ATOM 0 HD21 ASN A 83 10.218 7.328 -14.580 1.00 0.00 H new ATOM 0 HD22 ASN A 83 9.643 6.144 -15.758 1.00 0.00 H new ATOM 1334 N ARG A 84 9.947 6.107 -19.144 1.00 0.00 N ATOM 1335 CA ARG A 84 10.735 4.936 -19.487 1.00 0.00 C ATOM 1336 C ARG A 84 11.986 4.862 -18.610 1.00 0.00 C ATOM 1337 O ARG A 84 13.077 4.579 -19.101 1.00 0.00 O ATOM 1338 CB ARG A 84 11.153 4.965 -20.958 1.00 0.00 C ATOM 1339 CG ARG A 84 10.090 4.311 -21.844 1.00 0.00 C ATOM 1340 CD ARG A 84 10.656 3.087 -22.567 1.00 0.00 C ATOM 1341 NE ARG A 84 9.927 2.867 -23.836 1.00 0.00 N ATOM 1342 CZ ARG A 84 8.650 2.468 -23.909 1.00 0.00 C ATOM 1343 NH1 ARG A 84 7.953 2.243 -22.787 1.00 0.00 N ATOM 1344 NH2 ARG A 84 8.069 2.294 -25.104 1.00 0.00 N ATOM 0 H ARG A 84 10.236 6.967 -19.610 1.00 0.00 H new ATOM 0 HA ARG A 84 10.114 4.057 -19.315 1.00 0.00 H new ATOM 0 HB2 ARG A 84 11.311 5.996 -21.274 1.00 0.00 H new ATOM 0 HB3 ARG A 84 12.103 4.445 -21.080 1.00 0.00 H new ATOM 0 HG2 ARG A 84 9.236 4.015 -21.235 1.00 0.00 H new ATOM 0 HG3 ARG A 84 9.726 5.033 -22.575 1.00 0.00 H new ATOM 0 HD2 ARG A 84 11.717 3.232 -22.768 1.00 0.00 H new ATOM 0 HD3 ARG A 84 10.569 2.206 -21.931 1.00 0.00 H new ATOM 0 HE ARG A 84 10.428 3.029 -24.710 1.00 0.00 H new ATOM 0 HH11 ARG A 84 8.395 2.375 -21.877 1.00 0.00 H new ATOM 0 HH12 ARG A 84 6.981 1.939 -22.843 1.00 0.00 H new ATOM 0 HH21 ARG A 84 8.599 2.465 -25.959 1.00 0.00 H new ATOM 0 HH22 ARG A 84 7.097 1.990 -25.159 1.00 0.00 H new ATOM 1358 N MET A 85 11.786 5.121 -17.326 1.00 0.00 N ATOM 1359 CA MET A 85 12.885 5.088 -16.376 1.00 0.00 C ATOM 1360 C MET A 85 12.546 4.198 -15.177 1.00 0.00 C ATOM 1361 O MET A 85 13.058 3.086 -15.061 1.00 0.00 O ATOM 1362 CB MET A 85 13.183 6.507 -15.890 1.00 0.00 C ATOM 1363 CG MET A 85 13.964 7.295 -16.944 1.00 0.00 C ATOM 1364 SD MET A 85 14.470 8.871 -16.277 1.00 0.00 S ATOM 1365 CE MET A 85 16.108 8.454 -15.703 1.00 0.00 C ATOM 0 H MET A 85 10.879 5.355 -16.921 1.00 0.00 H new ATOM 0 HA MET A 85 13.761 4.675 -16.876 1.00 0.00 H new ATOM 0 HB2 MET A 85 12.249 7.022 -15.664 1.00 0.00 H new ATOM 0 HB3 MET A 85 13.756 6.465 -14.964 1.00 0.00 H new ATOM 0 HG2 MET A 85 14.839 6.727 -17.260 1.00 0.00 H new ATOM 0 HG3 MET A 85 13.346 7.447 -17.829 1.00 0.00 H new ATOM 0 HE1 MET A 85 16.571 9.333 -15.254 1.00 0.00 H new ATOM 0 HE2 MET A 85 16.042 7.659 -14.960 1.00 0.00 H new ATOM 0 HE3 MET A 85 16.713 8.115 -16.544 1.00 0.00 H new ATOM 1375 N GLY A 86 11.686 4.722 -14.316 1.00 0.00 N ATOM 1376 CA GLY A 86 11.273 3.990 -13.131 1.00 0.00 C ATOM 1377 C GLY A 86 9.983 4.570 -12.550 1.00 0.00 C ATOM 1378 O GLY A 86 9.989 5.663 -11.985 1.00 0.00 O ATOM 0 H GLY A 86 11.264 5.645 -14.416 1.00 0.00 H new ATOM 0 HA2 GLY A 86 11.123 2.940 -13.382 1.00 0.00 H new ATOM 0 HA3 GLY A 86 12.063 4.029 -12.381 1.00 0.00 H new ATOM 1382 N GLN A 87 8.907 3.813 -12.708 1.00 0.00 N ATOM 1383 CA GLN A 87 7.612 4.239 -12.205 1.00 0.00 C ATOM 1384 C GLN A 87 6.630 3.066 -12.208 1.00 0.00 C ATOM 1385 O GLN A 87 5.797 2.951 -13.106 1.00 0.00 O ATOM 1386 CB GLN A 87 7.066 5.413 -13.021 1.00 0.00 C ATOM 1387 CG GLN A 87 6.569 6.533 -12.106 1.00 0.00 C ATOM 1388 CD GLN A 87 5.579 5.996 -11.070 1.00 0.00 C ATOM 1389 OE1 GLN A 87 5.082 4.886 -11.166 1.00 0.00 O ATOM 1390 NE2 GLN A 87 5.322 6.844 -10.078 1.00 0.00 N ATOM 0 H GLN A 87 8.905 2.907 -13.177 1.00 0.00 H new ATOM 0 HA GLN A 87 7.737 4.580 -11.177 1.00 0.00 H new ATOM 0 HB2 GLN A 87 7.845 5.796 -13.680 1.00 0.00 H new ATOM 0 HB3 GLN A 87 6.250 5.070 -13.658 1.00 0.00 H new ATOM 0 HG2 GLN A 87 7.416 6.996 -11.599 1.00 0.00 H new ATOM 0 HG3 GLN A 87 6.091 7.310 -12.703 1.00 0.00 H new ATOM 0 HE21 GLN A 87 5.773 7.759 -10.059 1.00 0.00 H new ATOM 0 HE22 GLN A 87 4.674 6.580 -9.336 1.00 0.00 H new ATOM 1399 N ASP A 88 6.760 2.224 -11.193 1.00 0.00 N ATOM 1400 CA ASP A 88 5.894 1.064 -11.067 1.00 0.00 C ATOM 1401 C ASP A 88 4.818 1.347 -10.017 1.00 0.00 C ATOM 1402 O ASP A 88 5.071 2.048 -9.038 1.00 0.00 O ATOM 1403 CB ASP A 88 6.684 -0.166 -10.614 1.00 0.00 C ATOM 1404 CG ASP A 88 7.742 -0.656 -11.605 1.00 0.00 C ATOM 1405 OD1 ASP A 88 8.415 0.218 -12.195 1.00 0.00 O ATOM 1406 OD2 ASP A 88 7.855 -1.892 -11.750 1.00 0.00 O ATOM 0 H ASP A 88 7.452 2.322 -10.450 1.00 0.00 H new ATOM 0 HA ASP A 88 5.449 0.868 -12.042 1.00 0.00 H new ATOM 0 HB2 ASP A 88 7.173 0.063 -9.667 1.00 0.00 H new ATOM 0 HB3 ASP A 88 5.983 -0.979 -10.422 1.00 0.00 H new ATOM 1411 N SER A 89 3.641 0.789 -10.257 1.00 0.00 N ATOM 1412 CA SER A 89 2.526 0.973 -9.344 1.00 0.00 C ATOM 1413 C SER A 89 2.909 0.488 -7.944 1.00 0.00 C ATOM 1414 O SER A 89 4.006 -0.032 -7.743 1.00 0.00 O ATOM 1415 CB SER A 89 1.281 0.234 -9.839 1.00 0.00 C ATOM 1416 OG SER A 89 1.524 -1.159 -10.021 1.00 0.00 O ATOM 0 H SER A 89 3.435 0.209 -11.071 1.00 0.00 H new ATOM 0 HA SER A 89 2.292 2.037 -9.301 1.00 0.00 H new ATOM 0 HB2 SER A 89 0.470 0.370 -9.123 1.00 0.00 H new ATOM 0 HB3 SER A 89 0.951 0.671 -10.782 1.00 0.00 H new ATOM 0 HG SER A 89 1.361 -1.400 -10.957 1.00 0.00 H new ATOM 1422 N TYR A 90 1.985 0.676 -7.014 1.00 0.00 N ATOM 1423 CA TYR A 90 2.213 0.264 -5.639 1.00 0.00 C ATOM 1424 C TYR A 90 1.448 -1.022 -5.318 1.00 0.00 C ATOM 1425 O TYR A 90 0.292 -0.973 -4.902 1.00 0.00 O ATOM 1426 CB TYR A 90 1.671 1.397 -4.765 1.00 0.00 C ATOM 1427 CG TYR A 90 2.726 2.051 -3.870 1.00 0.00 C ATOM 1428 CD1 TYR A 90 4.000 2.273 -4.354 1.00 0.00 C ATOM 1429 CD2 TYR A 90 2.405 2.420 -2.580 1.00 0.00 C ATOM 1430 CE1 TYR A 90 4.993 2.888 -3.512 1.00 0.00 C ATOM 1431 CE2 TYR A 90 3.398 3.035 -1.738 1.00 0.00 C ATOM 1432 CZ TYR A 90 4.643 3.239 -2.246 1.00 0.00 C ATOM 1433 OH TYR A 90 5.580 3.821 -1.451 1.00 0.00 O ATOM 0 H TYR A 90 1.077 1.108 -7.185 1.00 0.00 H new ATOM 0 HA TYR A 90 3.272 0.072 -5.466 1.00 0.00 H new ATOM 0 HB2 TYR A 90 1.231 2.160 -5.408 1.00 0.00 H new ATOM 0 HB3 TYR A 90 0.869 1.007 -4.138 1.00 0.00 H new ATOM 0 HD1 TYR A 90 4.252 1.985 -5.364 1.00 0.00 H new ATOM 0 HD2 TYR A 90 1.408 2.247 -2.201 1.00 0.00 H new ATOM 0 HE1 TYR A 90 5.993 3.066 -3.878 1.00 0.00 H new ATOM 0 HE2 TYR A 90 3.160 3.328 -0.726 1.00 0.00 H new ATOM 0 HH TYR A 90 5.503 3.466 -0.541 1.00 0.00 H new ATOM 1443 N VAL A 91 2.126 -2.142 -5.524 1.00 0.00 N ATOM 1444 CA VAL A 91 1.525 -3.439 -5.261 1.00 0.00 C ATOM 1445 C VAL A 91 1.402 -3.643 -3.750 1.00 0.00 C ATOM 1446 O VAL A 91 2.388 -3.941 -3.078 1.00 0.00 O ATOM 1447 CB VAL A 91 2.335 -4.539 -5.950 1.00 0.00 C ATOM 1448 CG1 VAL A 91 1.719 -5.916 -5.690 1.00 0.00 C ATOM 1449 CG2 VAL A 91 2.463 -4.269 -7.450 1.00 0.00 C ATOM 0 H VAL A 91 3.085 -2.178 -5.870 1.00 0.00 H new ATOM 0 HA VAL A 91 0.519 -3.486 -5.677 1.00 0.00 H new ATOM 0 HB VAL A 91 3.338 -4.534 -5.524 1.00 0.00 H new ATOM 0 HG11 VAL A 91 2.313 -6.681 -6.190 1.00 0.00 H new ATOM 0 HG12 VAL A 91 1.705 -6.112 -4.618 1.00 0.00 H new ATOM 0 HG13 VAL A 91 0.700 -5.938 -6.076 1.00 0.00 H new ATOM 0 HG21 VAL A 91 3.043 -5.066 -7.915 1.00 0.00 H new ATOM 0 HG22 VAL A 91 1.471 -4.233 -7.899 1.00 0.00 H new ATOM 0 HG23 VAL A 91 2.967 -3.315 -7.606 1.00 0.00 H new ATOM 1459 N LEU A 92 0.183 -3.474 -3.259 1.00 0.00 N ATOM 1460 CA LEU A 92 -0.081 -3.636 -1.840 1.00 0.00 C ATOM 1461 C LEU A 92 -0.969 -4.864 -1.628 1.00 0.00 C ATOM 1462 O LEU A 92 -1.831 -5.161 -2.453 1.00 0.00 O ATOM 1463 CB LEU A 92 -0.663 -2.348 -1.253 1.00 0.00 C ATOM 1464 CG LEU A 92 0.067 -1.054 -1.620 1.00 0.00 C ATOM 1465 CD1 LEU A 92 -0.483 0.131 -0.824 1.00 0.00 C ATOM 1466 CD2 LEU A 92 1.579 -1.209 -1.446 1.00 0.00 C ATOM 0 H LEU A 92 -0.633 -3.226 -3.819 1.00 0.00 H new ATOM 0 HA LEU A 92 0.847 -3.816 -1.298 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -1.700 -2.261 -1.577 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -0.675 -2.440 -0.167 1.00 0.00 H new ATOM 0 HG LEU A 92 -0.116 -0.846 -2.674 1.00 0.00 H new ATOM 0 HD11 LEU A 92 0.053 1.038 -1.104 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -1.544 0.255 -1.042 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -0.351 -0.054 0.242 1.00 0.00 H new ATOM 0 HD21 LEU A 92 2.074 -0.275 -1.713 1.00 0.00 H new ATOM 0 HD22 LEU A 92 1.803 -1.454 -0.408 1.00 0.00 H new ATOM 0 HD23 LEU A 92 1.940 -2.009 -2.093 1.00 0.00 H new ATOM 1478 N MET A 93 -0.728 -5.544 -0.517 1.00 0.00 N ATOM 1479 CA MET A 93 -1.495 -6.733 -0.186 1.00 0.00 C ATOM 1480 C MET A 93 -1.820 -6.777 1.309 1.00 0.00 C ATOM 1481 O MET A 93 -0.952 -6.527 2.144 1.00 0.00 O ATOM 1482 CB MET A 93 -0.696 -7.979 -0.572 1.00 0.00 C ATOM 1483 CG MET A 93 -1.366 -9.247 -0.038 1.00 0.00 C ATOM 1484 SD MET A 93 -0.504 -10.691 -0.635 1.00 0.00 S ATOM 1485 CE MET A 93 1.063 -10.481 0.194 1.00 0.00 C ATOM 0 H MET A 93 -0.012 -5.294 0.166 1.00 0.00 H new ATOM 0 HA MET A 93 -2.432 -6.705 -0.742 1.00 0.00 H new ATOM 0 HB2 MET A 93 -0.610 -8.038 -1.657 1.00 0.00 H new ATOM 0 HB3 MET A 93 0.316 -7.904 -0.175 1.00 0.00 H new ATOM 0 HG2 MET A 93 -1.365 -9.237 1.052 1.00 0.00 H new ATOM 0 HG3 MET A 93 -2.408 -9.279 -0.355 1.00 0.00 H new ATOM 0 HE1 MET A 93 1.865 -10.853 -0.444 1.00 0.00 H new ATOM 0 HE2 MET A 93 1.226 -9.423 0.402 1.00 0.00 H new ATOM 0 HE3 MET A 93 1.056 -11.038 1.131 1.00 0.00 H new ATOM 1495 N ALA A 94 -3.072 -7.098 1.600 1.00 0.00 N ATOM 1496 CA ALA A 94 -3.522 -7.178 2.980 1.00 0.00 C ATOM 1497 C ALA A 94 -3.680 -8.648 3.375 1.00 0.00 C ATOM 1498 O ALA A 94 -3.922 -9.501 2.523 1.00 0.00 O ATOM 1499 CB ALA A 94 -4.823 -6.389 3.139 1.00 0.00 C ATOM 0 H ALA A 94 -3.789 -7.306 0.905 1.00 0.00 H new ATOM 0 HA ALA A 94 -2.787 -6.733 3.650 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -5.161 -6.449 4.174 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -4.651 -5.346 2.873 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -5.586 -6.809 2.484 1.00 0.00 H new ATOM 1505 N SER A 95 -3.536 -8.898 4.668 1.00 0.00 N ATOM 1506 CA SER A 95 -3.659 -10.250 5.187 1.00 0.00 C ATOM 1507 C SER A 95 -5.109 -10.725 5.069 1.00 0.00 C ATOM 1508 O SER A 95 -5.377 -11.768 4.475 1.00 0.00 O ATOM 1509 CB SER A 95 -3.192 -10.326 6.642 1.00 0.00 C ATOM 1510 OG SER A 95 -3.210 -11.661 7.139 1.00 0.00 O ATOM 0 H SER A 95 -3.335 -8.187 5.372 1.00 0.00 H new ATOM 0 HA SER A 95 -3.019 -10.904 4.594 1.00 0.00 H new ATOM 0 HB2 SER A 95 -2.182 -9.924 6.720 1.00 0.00 H new ATOM 0 HB3 SER A 95 -3.833 -9.700 7.262 1.00 0.00 H new ATOM 0 HG SER A 95 -2.904 -11.668 8.070 1.00 0.00 H new ATOM 1516 N SER A 96 -6.005 -9.937 5.645 1.00 0.00 N ATOM 1517 CA SER A 96 -7.420 -10.264 5.612 1.00 0.00 C ATOM 1518 C SER A 96 -8.146 -9.351 4.621 1.00 0.00 C ATOM 1519 O SER A 96 -7.633 -8.295 4.256 1.00 0.00 O ATOM 1520 CB SER A 96 -8.046 -10.142 7.003 1.00 0.00 C ATOM 1521 OG SER A 96 -7.521 -11.106 7.911 1.00 0.00 O ATOM 0 H SER A 96 -5.778 -9.073 6.137 1.00 0.00 H new ATOM 0 HA SER A 96 -7.524 -11.299 5.286 1.00 0.00 H new ATOM 0 HB2 SER A 96 -7.867 -9.140 7.394 1.00 0.00 H new ATOM 0 HB3 SER A 96 -9.126 -10.266 6.927 1.00 0.00 H new ATOM 0 HG SER A 96 -7.944 -10.994 8.788 1.00 0.00 H new ATOM 1527 N GLN A 97 -9.327 -9.792 4.215 1.00 0.00 N ATOM 1528 CA GLN A 97 -10.128 -9.028 3.274 1.00 0.00 C ATOM 1529 C GLN A 97 -10.674 -7.766 3.945 1.00 0.00 C ATOM 1530 O GLN A 97 -10.424 -6.654 3.480 1.00 0.00 O ATOM 1531 CB GLN A 97 -11.263 -9.879 2.702 1.00 0.00 C ATOM 1532 CG GLN A 97 -11.997 -9.135 1.585 1.00 0.00 C ATOM 1533 CD GLN A 97 -12.814 -10.103 0.726 1.00 0.00 C ATOM 1534 OE1 GLN A 97 -12.478 -11.265 0.565 1.00 0.00 O ATOM 1535 NE2 GLN A 97 -13.901 -9.561 0.185 1.00 0.00 N ATOM 0 H GLN A 97 -9.749 -10.669 4.520 1.00 0.00 H new ATOM 0 HA GLN A 97 -9.489 -8.728 2.443 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -10.861 -10.816 2.317 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -11.965 -10.136 3.495 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -12.656 -8.382 2.017 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -11.276 -8.608 0.960 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -14.124 -8.581 0.361 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -14.512 -10.125 -0.406 1.00 0.00 H new ATOM 1544 N ALA A 98 -11.409 -7.979 5.026 1.00 0.00 N ATOM 1545 CA ALA A 98 -11.992 -6.872 5.765 1.00 0.00 C ATOM 1546 C ALA A 98 -10.977 -5.731 5.851 1.00 0.00 C ATOM 1547 O ALA A 98 -11.356 -4.562 5.914 1.00 0.00 O ATOM 1548 CB ALA A 98 -12.440 -7.359 7.145 1.00 0.00 C ATOM 0 H ALA A 98 -11.614 -8.902 5.408 1.00 0.00 H new ATOM 0 HA ALA A 98 -12.874 -6.490 5.251 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -12.877 -6.529 7.700 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -13.182 -8.149 7.029 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -11.580 -7.747 7.691 1.00 0.00 H new ATOM 1554 N GLU A 99 -9.708 -6.109 5.850 1.00 0.00 N ATOM 1555 CA GLU A 99 -8.635 -5.132 5.927 1.00 0.00 C ATOM 1556 C GLU A 99 -8.427 -4.465 4.566 1.00 0.00 C ATOM 1557 O GLU A 99 -8.363 -3.240 4.474 1.00 0.00 O ATOM 1558 CB GLU A 99 -7.340 -5.776 6.426 1.00 0.00 C ATOM 1559 CG GLU A 99 -6.253 -4.723 6.645 1.00 0.00 C ATOM 1560 CD GLU A 99 -5.541 -4.940 7.982 1.00 0.00 C ATOM 1561 OE1 GLU A 99 -5.185 -6.107 8.253 1.00 0.00 O ATOM 1562 OE2 GLU A 99 -5.370 -3.933 8.704 1.00 0.00 O ATOM 0 H GLU A 99 -9.398 -7.079 5.797 1.00 0.00 H new ATOM 0 HA GLU A 99 -8.920 -4.365 6.647 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -7.530 -6.307 7.359 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -6.995 -6.515 5.703 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -5.529 -4.768 5.832 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -6.696 -3.727 6.622 1.00 0.00 H new ATOM 1569 N MET A 100 -8.326 -5.300 3.543 1.00 0.00 N ATOM 1570 CA MET A 100 -8.126 -4.806 2.191 1.00 0.00 C ATOM 1571 C MET A 100 -9.326 -3.978 1.726 1.00 0.00 C ATOM 1572 O MET A 100 -9.164 -2.994 1.006 1.00 0.00 O ATOM 1573 CB MET A 100 -7.922 -5.988 1.241 1.00 0.00 C ATOM 1574 CG MET A 100 -7.680 -5.505 -0.191 1.00 0.00 C ATOM 1575 SD MET A 100 -8.103 -6.795 -1.350 1.00 0.00 S ATOM 1576 CE MET A 100 -9.868 -6.871 -1.100 1.00 0.00 C ATOM 0 H MET A 100 -8.379 -6.316 3.623 1.00 0.00 H new ATOM 0 HA MET A 100 -7.243 -4.166 2.185 1.00 0.00 H new ATOM 0 HB2 MET A 100 -7.074 -6.586 1.575 1.00 0.00 H new ATOM 0 HB3 MET A 100 -8.798 -6.636 1.267 1.00 0.00 H new ATOM 0 HG2 MET A 100 -8.278 -4.616 -0.390 1.00 0.00 H new ATOM 0 HG3 MET A 100 -6.635 -5.221 -0.316 1.00 0.00 H new ATOM 0 HE1 MET A 100 -10.147 -7.875 -0.781 1.00 0.00 H new ATOM 0 HE2 MET A 100 -10.158 -6.152 -0.333 1.00 0.00 H new ATOM 0 HE3 MET A 100 -10.378 -6.632 -2.033 1.00 0.00 H new ATOM 1586 N GLU A 101 -10.503 -4.408 2.156 1.00 0.00 N ATOM 1587 CA GLU A 101 -11.729 -3.719 1.793 1.00 0.00 C ATOM 1588 C GLU A 101 -11.724 -2.295 2.354 1.00 0.00 C ATOM 1589 O GLU A 101 -12.063 -1.346 1.650 1.00 0.00 O ATOM 1590 CB GLU A 101 -12.957 -4.494 2.276 1.00 0.00 C ATOM 1591 CG GLU A 101 -13.688 -5.150 1.102 1.00 0.00 C ATOM 1592 CD GLU A 101 -14.008 -4.124 0.013 1.00 0.00 C ATOM 1593 OE1 GLU A 101 -14.604 -3.085 0.370 1.00 0.00 O ATOM 1594 OE2 GLU A 101 -13.649 -4.401 -1.151 1.00 0.00 O ATOM 0 H GLU A 101 -10.633 -5.225 2.752 1.00 0.00 H new ATOM 0 HA GLU A 101 -11.781 -3.660 0.706 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -12.651 -5.258 2.991 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -13.634 -3.820 2.800 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -13.073 -5.948 0.686 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -14.611 -5.611 1.455 1.00 0.00 H new ATOM 1601 N GLU A 102 -11.336 -2.192 3.617 1.00 0.00 N ATOM 1602 CA GLU A 102 -11.282 -0.901 4.280 1.00 0.00 C ATOM 1603 C GLU A 102 -10.240 -0.003 3.610 1.00 0.00 C ATOM 1604 O GLU A 102 -10.566 1.083 3.132 1.00 0.00 O ATOM 1605 CB GLU A 102 -10.988 -1.063 5.773 1.00 0.00 C ATOM 1606 CG GLU A 102 -12.109 -0.459 6.621 1.00 0.00 C ATOM 1607 CD GLU A 102 -13.459 -1.091 6.275 1.00 0.00 C ATOM 1608 OE1 GLU A 102 -13.473 -2.323 6.068 1.00 0.00 O ATOM 1609 OE2 GLU A 102 -14.447 -0.326 6.226 1.00 0.00 O ATOM 0 H GLU A 102 -11.056 -2.982 4.198 1.00 0.00 H new ATOM 0 HA GLU A 102 -12.258 -0.425 4.185 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -10.875 -2.120 6.012 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -10.042 -0.579 6.016 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -11.892 -0.611 7.678 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -12.155 0.618 6.457 1.00 0.00 H new ATOM 1616 N TRP A 103 -9.008 -0.489 3.596 1.00 0.00 N ATOM 1617 CA TRP A 103 -7.916 0.256 2.993 1.00 0.00 C ATOM 1618 C TRP A 103 -8.394 0.780 1.637 1.00 0.00 C ATOM 1619 O TRP A 103 -8.469 1.989 1.426 1.00 0.00 O ATOM 1620 CB TRP A 103 -6.655 -0.605 2.891 1.00 0.00 C ATOM 1621 CG TRP A 103 -5.715 -0.475 4.090 1.00 0.00 C ATOM 1622 CD1 TRP A 103 -5.336 -1.432 4.949 1.00 0.00 C ATOM 1623 CD2 TRP A 103 -5.045 0.724 4.532 1.00 0.00 C ATOM 1624 NE1 TRP A 103 -4.475 -0.939 5.908 1.00 0.00 N ATOM 1625 CE2 TRP A 103 -4.292 0.414 5.646 1.00 0.00 C ATOM 1626 CE3 TRP A 103 -5.074 2.028 4.008 1.00 0.00 C ATOM 1627 CZ2 TRP A 103 -3.512 1.353 6.331 1.00 0.00 C ATOM 1628 CZ3 TRP A 103 -4.289 2.956 4.703 1.00 0.00 C ATOM 1629 CH2 TRP A 103 -3.525 2.659 5.826 1.00 0.00 C ATOM 0 H TRP A 103 -8.741 -1.390 3.993 1.00 0.00 H new ATOM 0 HA TRP A 103 -7.638 1.106 3.616 1.00 0.00 H new ATOM 0 HB2 TRP A 103 -6.948 -1.649 2.784 1.00 0.00 H new ATOM 0 HB3 TRP A 103 -6.113 -0.331 1.986 1.00 0.00 H new ATOM 0 HD1 TRP A 103 -5.663 -2.460 4.897 1.00 0.00 H new ATOM 0 HE1 TRP A 103 -4.051 -1.470 6.669 1.00 0.00 H new ATOM 0 HE3 TRP A 103 -5.656 2.293 3.138 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 -2.932 1.085 7.202 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 -4.276 3.974 4.341 1.00 0.00 H new ATOM 0 HH2 TRP A 103 -2.944 3.432 6.307 1.00 0.00 H new ATOM 1640 N VAL A 104 -8.704 -0.157 0.753 1.00 0.00 N ATOM 1641 CA VAL A 104 -9.173 0.195 -0.577 1.00 0.00 C ATOM 1642 C VAL A 104 -10.318 1.203 -0.460 1.00 0.00 C ATOM 1643 O VAL A 104 -10.273 2.272 -1.067 1.00 0.00 O ATOM 1644 CB VAL A 104 -9.565 -1.069 -1.345 1.00 0.00 C ATOM 1645 CG1 VAL A 104 -10.305 -0.717 -2.638 1.00 0.00 C ATOM 1646 CG2 VAL A 104 -8.340 -1.938 -1.633 1.00 0.00 C ATOM 0 H VAL A 104 -8.640 -1.159 0.931 1.00 0.00 H new ATOM 0 HA VAL A 104 -8.377 0.673 -1.148 1.00 0.00 H new ATOM 0 HB VAL A 104 -10.244 -1.646 -0.717 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -10.572 -1.633 -3.165 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -11.210 -0.159 -2.399 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -9.660 -0.109 -3.272 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -8.647 -2.830 -2.180 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -7.626 -1.373 -2.232 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -7.873 -2.232 -0.693 1.00 0.00 H new ATOM 1656 N LYS A 105 -11.317 0.827 0.325 1.00 0.00 N ATOM 1657 CA LYS A 105 -12.471 1.685 0.530 1.00 0.00 C ATOM 1658 C LYS A 105 -11.999 3.123 0.753 1.00 0.00 C ATOM 1659 O LYS A 105 -12.309 4.012 -0.039 1.00 0.00 O ATOM 1660 CB LYS A 105 -13.348 1.143 1.661 1.00 0.00 C ATOM 1661 CG LYS A 105 -14.562 2.044 1.894 1.00 0.00 C ATOM 1662 CD LYS A 105 -14.356 2.936 3.120 1.00 0.00 C ATOM 1663 CE LYS A 105 -14.936 2.284 4.376 1.00 0.00 C ATOM 1664 NZ LYS A 105 -16.088 3.065 4.881 1.00 0.00 N ATOM 0 H LYS A 105 -11.351 -0.060 0.827 1.00 0.00 H new ATOM 0 HA LYS A 105 -13.104 1.691 -0.358 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -13.681 0.134 1.416 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -12.762 1.072 2.578 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -14.734 2.664 1.014 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -15.453 1.431 2.031 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -13.292 3.125 3.262 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -14.832 3.903 2.955 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -15.250 1.265 4.152 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -14.168 2.218 5.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -16.470 2.609 5.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -15.778 4.030 5.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -16.827 3.106 4.150 1.00 0.00 H new ATOM 1678 N PHE A 106 -11.258 3.308 1.836 1.00 0.00 N ATOM 1679 CA PHE A 106 -10.741 4.623 2.173 1.00 0.00 C ATOM 1680 C PHE A 106 -9.906 5.195 1.025 1.00 0.00 C ATOM 1681 O PHE A 106 -10.170 6.299 0.551 1.00 0.00 O ATOM 1682 CB PHE A 106 -9.845 4.450 3.401 1.00 0.00 C ATOM 1683 CG PHE A 106 -10.600 4.492 4.732 1.00 0.00 C ATOM 1684 CD1 PHE A 106 -11.065 5.676 5.213 1.00 0.00 C ATOM 1685 CD2 PHE A 106 -10.805 3.345 5.433 1.00 0.00 C ATOM 1686 CE1 PHE A 106 -11.765 5.715 6.448 1.00 0.00 C ATOM 1687 CE2 PHE A 106 -11.505 3.384 6.668 1.00 0.00 C ATOM 1688 CZ PHE A 106 -11.970 4.568 7.149 1.00 0.00 C ATOM 0 H PHE A 106 -11.004 2.569 2.491 1.00 0.00 H new ATOM 0 HA PHE A 106 -11.566 5.309 2.364 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -9.319 3.499 3.323 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -9.088 5.234 3.399 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -10.902 6.587 4.656 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -10.436 2.405 5.051 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -12.134 6.655 6.830 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -11.668 2.473 7.225 1.00 0.00 H new ATOM 0 HZ PHE A 106 -12.502 4.597 8.088 1.00 0.00 H new ATOM 1698 N LEU A 107 -8.916 4.417 0.611 1.00 0.00 N ATOM 1699 CA LEU A 107 -8.042 4.832 -0.473 1.00 0.00 C ATOM 1700 C LEU A 107 -8.890 5.335 -1.643 1.00 0.00 C ATOM 1701 O LEU A 107 -8.795 6.499 -2.028 1.00 0.00 O ATOM 1702 CB LEU A 107 -7.082 3.702 -0.849 1.00 0.00 C ATOM 1703 CG LEU A 107 -6.075 3.290 0.227 1.00 0.00 C ATOM 1704 CD1 LEU A 107 -5.667 1.825 0.064 1.00 0.00 C ATOM 1705 CD2 LEU A 107 -4.864 4.226 0.232 1.00 0.00 C ATOM 0 H LEU A 107 -8.700 3.502 1.007 1.00 0.00 H new ATOM 0 HA LEU A 107 -7.411 5.663 -0.157 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -7.672 2.826 -1.121 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -6.530 4.003 -1.739 1.00 0.00 H new ATOM 0 HG LEU A 107 -6.557 3.383 1.200 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -4.951 1.558 0.841 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -6.549 1.190 0.150 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -5.210 1.681 -0.915 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -4.164 3.911 1.006 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -4.372 4.189 -0.740 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -5.193 5.245 0.434 1.00 0.00 H new ATOM 1717 N ARG A 108 -9.699 4.431 -2.177 1.00 0.00 N ATOM 1718 CA ARG A 108 -10.563 4.768 -3.295 1.00 0.00 C ATOM 1719 C ARG A 108 -11.448 5.964 -2.941 1.00 0.00 C ATOM 1720 O ARG A 108 -11.617 6.877 -3.747 1.00 0.00 O ATOM 1721 CB ARG A 108 -11.450 3.583 -3.683 1.00 0.00 C ATOM 1722 CG ARG A 108 -11.219 3.179 -5.140 1.00 0.00 C ATOM 1723 CD ARG A 108 -10.892 1.689 -5.251 1.00 0.00 C ATOM 1724 NE ARG A 108 -10.880 1.278 -6.673 1.00 0.00 N ATOM 1725 CZ ARG A 108 -11.980 1.137 -7.424 1.00 0.00 C ATOM 1726 NH1 ARG A 108 -13.188 1.374 -6.894 1.00 0.00 N ATOM 1727 NH2 ARG A 108 -11.873 0.760 -8.706 1.00 0.00 N ATOM 0 H ARG A 108 -9.774 3.466 -1.856 1.00 0.00 H new ATOM 0 HA ARG A 108 -9.925 5.022 -4.141 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -11.239 2.737 -3.029 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -12.498 3.845 -3.536 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -12.108 3.405 -5.729 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -10.402 3.766 -5.559 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -9.922 1.486 -4.797 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -11.630 1.104 -4.701 1.00 0.00 H new ATOM 0 HE ARG A 108 -9.977 1.090 -7.108 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -13.270 1.662 -5.919 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -14.026 1.267 -7.466 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -10.954 0.580 -9.110 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -12.711 0.653 -9.278 1.00 0.00 H new ATOM 1741 N ARG A 109 -11.991 5.921 -1.732 1.00 0.00 N ATOM 1742 CA ARG A 109 -12.855 6.990 -1.261 1.00 0.00 C ATOM 1743 C ARG A 109 -12.183 8.348 -1.474 1.00 0.00 C ATOM 1744 O ARG A 109 -12.600 9.123 -2.333 1.00 0.00 O ATOM 1745 CB ARG A 109 -13.184 6.818 0.223 1.00 0.00 C ATOM 1746 CG ARG A 109 -14.188 7.874 0.688 1.00 0.00 C ATOM 1747 CD ARG A 109 -13.473 9.071 1.319 1.00 0.00 C ATOM 1748 NE ARG A 109 -13.850 10.316 0.613 1.00 0.00 N ATOM 1749 CZ ARG A 109 -13.421 11.536 0.962 1.00 0.00 C ATOM 1750 NH1 ARG A 109 -12.599 11.683 2.010 1.00 0.00 N ATOM 1751 NH2 ARG A 109 -13.815 12.610 0.264 1.00 0.00 N ATOM 0 H ARG A 109 -11.849 5.162 -1.065 1.00 0.00 H new ATOM 0 HA ARG A 109 -13.781 6.945 -1.834 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -13.592 5.822 0.396 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -12.271 6.895 0.813 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -14.787 8.209 -0.159 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -14.875 7.434 1.411 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -13.736 9.148 2.374 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -12.394 8.928 1.269 1.00 0.00 H new ATOM 0 HE ARG A 109 -14.475 10.240 -0.189 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -12.300 10.866 2.542 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -12.272 12.612 2.276 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -14.442 12.498 -0.533 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -13.488 13.539 0.530 1.00 0.00 H new ATOM 1765 N VAL A 110 -11.154 8.595 -0.676 1.00 0.00 N ATOM 1766 CA VAL A 110 -10.421 9.846 -0.766 1.00 0.00 C ATOM 1767 C VAL A 110 -10.083 10.130 -2.231 1.00 0.00 C ATOM 1768 O VAL A 110 -10.316 11.233 -2.723 1.00 0.00 O ATOM 1769 CB VAL A 110 -9.184 9.793 0.133 1.00 0.00 C ATOM 1770 CG1 VAL A 110 -8.358 11.075 0.004 1.00 0.00 C ATOM 1771 CG2 VAL A 110 -9.575 9.537 1.589 1.00 0.00 C ATOM 0 H VAL A 110 -10.811 7.950 0.036 1.00 0.00 H new ATOM 0 HA VAL A 110 -11.033 10.674 -0.407 1.00 0.00 H new ATOM 0 HB VAL A 110 -8.564 8.960 -0.198 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -7.485 11.012 0.653 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -8.034 11.197 -1.030 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -8.966 11.931 0.297 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -8.677 9.504 2.206 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -10.226 10.339 1.937 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -10.101 8.585 1.663 1.00 0.00 H new ATOM 1781 N ALA A 111 -9.540 9.115 -2.888 1.00 0.00 N ATOM 1782 CA ALA A 111 -9.169 9.242 -4.287 1.00 0.00 C ATOM 1783 C ALA A 111 -10.355 9.799 -5.077 1.00 0.00 C ATOM 1784 O ALA A 111 -10.175 10.607 -5.986 1.00 0.00 O ATOM 1785 CB ALA A 111 -8.701 7.885 -4.816 1.00 0.00 C ATOM 0 H ALA A 111 -9.348 8.201 -2.477 1.00 0.00 H new ATOM 0 HA ALA A 111 -8.340 9.940 -4.402 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -8.423 7.980 -5.866 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -7.839 7.548 -4.241 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -9.508 7.159 -4.719 1.00 0.00 H new ATOM 1791 N GLY A 112 -11.541 9.344 -4.700 1.00 0.00 N ATOM 1792 CA GLY A 112 -12.756 9.787 -5.362 1.00 0.00 C ATOM 1793 C GLY A 112 -12.828 11.315 -5.413 1.00 0.00 C ATOM 1794 O GLY A 112 -13.038 11.895 -6.477 1.00 0.00 O ATOM 0 H GLY A 112 -11.686 8.674 -3.945 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -12.790 9.384 -6.374 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -13.625 9.396 -4.834 1.00 0.00 H new ATOM 1798 N SER A 113 -12.650 11.922 -4.249 1.00 0.00 N ATOM 1799 CA SER A 113 -12.692 13.371 -4.147 1.00 0.00 C ATOM 1800 C SER A 113 -11.589 13.988 -5.009 1.00 0.00 C ATOM 1801 O SER A 113 -10.406 13.734 -4.786 1.00 0.00 O ATOM 1802 CB SER A 113 -12.546 13.825 -2.693 1.00 0.00 C ATOM 1803 OG SER A 113 -12.786 15.222 -2.544 1.00 0.00 O ATOM 0 H SER A 113 -12.476 11.437 -3.369 1.00 0.00 H new ATOM 0 HA SER A 113 -13.662 13.712 -4.510 1.00 0.00 H new ATOM 0 HB2 SER A 113 -13.244 13.268 -2.067 1.00 0.00 H new ATOM 0 HB3 SER A 113 -11.543 13.590 -2.339 1.00 0.00 H new ATOM 0 HG SER A 113 -12.685 15.473 -1.602 1.00 0.00 H new ATOM 1809 N GLY A 114 -12.015 14.788 -5.975 1.00 0.00 N ATOM 1810 CA GLY A 114 -11.078 15.444 -6.872 1.00 0.00 C ATOM 1811 C GLY A 114 -11.673 16.735 -7.437 1.00 0.00 C ATOM 1812 O GLY A 114 -12.757 17.153 -7.033 1.00 0.00 O ATOM 0 H GLY A 114 -12.997 14.997 -6.157 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -10.154 15.668 -6.338 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -10.819 14.771 -7.689 1.00 0.00 H new ATOM 1816 N PRO A 115 -10.917 17.348 -8.387 1.00 0.00 N ATOM 1817 CA PRO A 115 -11.357 18.584 -9.012 1.00 0.00 C ATOM 1818 C PRO A 115 -12.475 18.319 -10.023 1.00 0.00 C ATOM 1819 O PRO A 115 -12.216 18.178 -11.217 1.00 0.00 O ATOM 1820 CB PRO A 115 -10.108 19.171 -9.648 1.00 0.00 C ATOM 1821 CG PRO A 115 -9.117 18.023 -9.757 1.00 0.00 C ATOM 1822 CD PRO A 115 -9.627 16.883 -8.890 1.00 0.00 C ATOM 0 HA PRO A 115 -11.790 19.285 -8.298 1.00 0.00 H new ATOM 0 HB2 PRO A 115 -10.330 19.590 -10.629 1.00 0.00 H new ATOM 0 HB3 PRO A 115 -9.703 19.980 -9.040 1.00 0.00 H new ATOM 0 HG2 PRO A 115 -9.019 17.700 -10.793 1.00 0.00 H new ATOM 0 HG3 PRO A 115 -8.128 18.340 -9.427 1.00 0.00 H new ATOM 0 HD2 PRO A 115 -9.735 15.964 -9.467 1.00 0.00 H new ATOM 0 HD3 PRO A 115 -8.938 16.668 -8.073 1.00 0.00 H new ATOM 1830 N SER A 116 -13.694 18.261 -9.507 1.00 0.00 N ATOM 1831 CA SER A 116 -14.852 18.015 -10.349 1.00 0.00 C ATOM 1832 C SER A 116 -16.130 18.428 -9.616 1.00 0.00 C ATOM 1833 O SER A 116 -16.526 17.787 -8.644 1.00 0.00 O ATOM 1834 CB SER A 116 -14.930 16.545 -10.764 1.00 0.00 C ATOM 1835 OG SER A 116 -13.791 16.142 -11.520 1.00 0.00 O ATOM 0 H SER A 116 -13.905 18.380 -8.516 1.00 0.00 H new ATOM 0 HA SER A 116 -14.750 18.615 -11.254 1.00 0.00 H new ATOM 0 HB2 SER A 116 -15.014 15.921 -9.874 1.00 0.00 H new ATOM 0 HB3 SER A 116 -15.832 16.382 -11.353 1.00 0.00 H new ATOM 0 HG SER A 116 -13.250 16.929 -11.741 1.00 0.00 H new ATOM 1841 N SER A 117 -16.738 19.496 -10.110 1.00 0.00 N ATOM 1842 CA SER A 117 -17.963 20.002 -9.514 1.00 0.00 C ATOM 1843 C SER A 117 -19.149 19.135 -9.939 1.00 0.00 C ATOM 1844 O SER A 117 -20.284 19.389 -9.538 1.00 0.00 O ATOM 1845 CB SER A 117 -18.205 21.461 -9.906 1.00 0.00 C ATOM 1846 OG SER A 117 -17.808 21.726 -11.248 1.00 0.00 O ATOM 0 H SER A 117 -16.406 20.025 -10.916 1.00 0.00 H new ATOM 0 HA SER A 117 -17.859 19.958 -8.430 1.00 0.00 H new ATOM 0 HB2 SER A 117 -19.262 21.698 -9.787 1.00 0.00 H new ATOM 0 HB3 SER A 117 -17.654 22.114 -9.229 1.00 0.00 H new ATOM 0 HG SER A 117 -17.980 22.667 -11.460 1.00 0.00 H new ATOM 1852 N GLY A 118 -18.846 18.128 -10.745 1.00 0.00 N ATOM 1853 CA GLY A 118 -19.874 17.222 -11.229 1.00 0.00 C ATOM 1854 C GLY A 118 -19.418 16.506 -12.503 1.00 0.00 C ATOM 1855 O GLY A 118 -19.087 17.151 -13.497 1.00 0.00 O ATOM 0 H GLY A 118 -17.904 17.919 -11.075 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -20.108 16.487 -10.459 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -20.790 17.778 -11.428 1.00 0.00 H new TER 1859 GLY A 118