USER MOD reduce.3.24.130724 H: found=0, std=0, add=828, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 824 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 47 THR OG1 : rot 62:sc= -0.875! USER MOD Set 1.2: A 93 ASN : amide:sc= -0.337! K(o=-1.2!,f=1.8) USER MOD Set 2.1: A 56 CYS SG : rot 77:sc= 1.23 USER MOD Set 2.2: A 80 SER OG : rot 112:sc= 0.127 USER MOD Set 3.1: A 28 HIS : no HD1:sc= -0.767 X(o=-1.2,f=-1.3) USER MOD Set 3.2: A 30 TYR OH : rot 180:sc= -0.467 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (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 25:sc= 0.861 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ -165:sc= -0.0109 (180deg=-0.157) USER MOD Single : A 11 HIS : no HE2:sc= -1.46! C(o=-1.5!,f=-6.9!) USER MOD Single : A 13 ASN : amide:sc= -7.41! C(o=-7.4!,f=-13!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.0816 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 CYS SG : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -4.59! C(o=-4.6!,f=-12!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -6.3! C(o=-6.3!,f=-6.7!) USER MOD Single : A 46 MET CE :methyl -147:sc= -1.87 (180deg=-6.47!) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 16:sc= 0.166 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= -0.378 K(o=-0.38,f=-1.1) USER MOD Single : A 75 GLN : amide:sc= -0.19 X(o=-0.19,f=-0.51) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 23:sc= 0.833 USER MOD Single : A 85 ASN : amide:sc= -0.485 X(o=-0.48,f=-0.45) USER MOD Single : A 95 ASN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 97 SER OG : rot 116:sc= -0.496 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 THR OG1 : rot 180:sc= -0.0466 USER MOD Single : A 108 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 23.205 -18.220 6.374 1.00 0.00 N ATOM 2 CA GLY A 1 22.567 -17.119 7.071 1.00 0.00 C ATOM 3 C GLY A 1 22.906 -15.773 6.462 1.00 0.00 C ATOM 4 O GLY A 1 22.577 -15.506 5.307 1.00 0.00 O ATOM 0 H1 GLY A 1 22.942 -19.118 6.828 1.00 0.00 H new ATOM 0 H2 GLY A 1 22.893 -18.230 5.382 1.00 0.00 H new ATOM 0 H3 GLY A 1 24.238 -18.103 6.411 1.00 0.00 H new ATOM 0 HA2 GLY A 1 21.486 -17.260 7.054 1.00 0.00 H new ATOM 0 HA3 GLY A 1 22.874 -17.129 8.117 1.00 0.00 H new ATOM 8 N SER A 2 23.563 -14.921 7.242 1.00 0.00 N ATOM 9 CA SER A 2 23.942 -13.593 6.775 1.00 0.00 C ATOM 10 C SER A 2 22.818 -12.964 5.957 1.00 0.00 C ATOM 11 O SER A 2 23.051 -12.415 4.880 1.00 0.00 O ATOM 12 CB SER A 2 25.218 -13.669 5.934 1.00 0.00 C ATOM 13 OG SER A 2 25.957 -12.463 6.018 1.00 0.00 O ATOM 0 H SER A 2 23.844 -15.127 8.201 1.00 0.00 H new ATOM 0 HA SER A 2 24.128 -12.967 7.648 1.00 0.00 H new ATOM 0 HB2 SER A 2 25.834 -14.501 6.276 1.00 0.00 H new ATOM 0 HB3 SER A 2 24.960 -13.870 4.894 1.00 0.00 H new ATOM 0 HG SER A 2 26.768 -12.538 5.473 1.00 0.00 H new ATOM 19 N SER A 3 21.598 -13.048 6.477 1.00 0.00 N ATOM 20 CA SER A 3 20.436 -12.491 5.795 1.00 0.00 C ATOM 21 C SER A 3 19.745 -11.444 6.664 1.00 0.00 C ATOM 22 O SER A 3 19.011 -11.779 7.593 1.00 0.00 O ATOM 23 CB SER A 3 19.448 -13.603 5.434 1.00 0.00 C ATOM 24 OG SER A 3 18.265 -13.069 4.865 1.00 0.00 O ATOM 0 H SER A 3 21.389 -13.497 7.369 1.00 0.00 H new ATOM 0 HA SER A 3 20.780 -12.009 4.880 1.00 0.00 H new ATOM 0 HB2 SER A 3 19.914 -14.294 4.731 1.00 0.00 H new ATOM 0 HB3 SER A 3 19.199 -14.177 6.327 1.00 0.00 H new ATOM 0 HG SER A 3 17.651 -13.799 4.642 1.00 0.00 H new ATOM 30 N GLY A 4 19.987 -10.174 6.355 1.00 0.00 N ATOM 31 CA GLY A 4 19.383 -9.097 7.116 1.00 0.00 C ATOM 32 C GLY A 4 18.055 -8.651 6.536 1.00 0.00 C ATOM 33 O GLY A 4 17.993 -8.176 5.403 1.00 0.00 O ATOM 0 H GLY A 4 20.591 -9.872 5.591 1.00 0.00 H new ATOM 0 HA2 GLY A 4 19.235 -9.422 8.146 1.00 0.00 H new ATOM 0 HA3 GLY A 4 20.067 -8.249 7.145 1.00 0.00 H new ATOM 37 N SER A 5 16.989 -8.806 7.315 1.00 0.00 N ATOM 38 CA SER A 5 15.654 -8.422 6.870 1.00 0.00 C ATOM 39 C SER A 5 15.325 -6.998 7.308 1.00 0.00 C ATOM 40 O SER A 5 15.141 -6.728 8.495 1.00 0.00 O ATOM 41 CB SER A 5 14.609 -9.392 7.424 1.00 0.00 C ATOM 42 OG SER A 5 14.566 -9.341 8.839 1.00 0.00 O ATOM 0 H SER A 5 17.024 -9.195 8.257 1.00 0.00 H new ATOM 0 HA SER A 5 15.635 -8.463 5.781 1.00 0.00 H new ATOM 0 HB2 SER A 5 13.628 -9.145 7.018 1.00 0.00 H new ATOM 0 HB3 SER A 5 14.842 -10.406 7.100 1.00 0.00 H new ATOM 0 HG SER A 5 14.892 -8.469 9.145 1.00 0.00 H new ATOM 48 N SER A 6 15.254 -6.089 6.340 1.00 0.00 N ATOM 49 CA SER A 6 14.951 -4.692 6.624 1.00 0.00 C ATOM 50 C SER A 6 13.463 -4.410 6.441 1.00 0.00 C ATOM 51 O SER A 6 12.796 -5.041 5.622 1.00 0.00 O ATOM 52 CB SER A 6 15.771 -3.775 5.714 1.00 0.00 C ATOM 53 OG SER A 6 15.829 -2.458 6.236 1.00 0.00 O ATOM 0 H SER A 6 15.402 -6.296 5.352 1.00 0.00 H new ATOM 0 HA SER A 6 15.215 -4.493 7.663 1.00 0.00 H new ATOM 0 HB2 SER A 6 16.780 -4.172 5.607 1.00 0.00 H new ATOM 0 HB3 SER A 6 15.329 -3.756 4.718 1.00 0.00 H new ATOM 0 HG SER A 6 16.360 -1.892 5.637 1.00 0.00 H new ATOM 59 N GLY A 7 12.948 -3.457 7.213 1.00 0.00 N ATOM 60 CA GLY A 7 11.542 -3.108 7.121 1.00 0.00 C ATOM 61 C GLY A 7 10.637 -4.321 7.205 1.00 0.00 C ATOM 62 O GLY A 7 11.093 -5.452 7.376 1.00 0.00 O ATOM 0 H GLY A 7 13.479 -2.921 7.900 1.00 0.00 H new ATOM 0 HA2 GLY A 7 11.290 -2.414 7.923 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.361 -2.588 6.181 1.00 0.00 H new ATOM 66 N PRO A 8 9.321 -4.091 7.085 1.00 0.00 N ATOM 67 CA PRO A 8 8.322 -5.162 7.146 1.00 0.00 C ATOM 68 C PRO A 8 8.373 -6.073 5.925 1.00 0.00 C ATOM 69 O PRO A 8 8.453 -5.604 4.790 1.00 0.00 O ATOM 70 CB PRO A 8 6.992 -4.404 7.192 1.00 0.00 C ATOM 71 CG PRO A 8 7.279 -3.096 6.540 1.00 0.00 C ATOM 72 CD PRO A 8 8.707 -2.768 6.880 1.00 0.00 C ATOM 0 HA PRO A 8 8.483 -5.821 7.999 1.00 0.00 H new ATOM 0 HB2 PRO A 8 6.209 -4.947 6.663 1.00 0.00 H new ATOM 0 HB3 PRO A 8 6.649 -4.268 8.218 1.00 0.00 H new ATOM 0 HG2 PRO A 8 7.139 -3.159 5.461 1.00 0.00 H new ATOM 0 HG3 PRO A 8 6.603 -2.322 6.904 1.00 0.00 H new ATOM 0 HD2 PRO A 8 9.196 -2.218 6.075 1.00 0.00 H new ATOM 0 HD3 PRO A 8 8.775 -2.150 7.775 1.00 0.00 H new ATOM 80 N LYS A 9 8.327 -7.379 6.165 1.00 0.00 N ATOM 81 CA LYS A 9 8.367 -8.358 5.085 1.00 0.00 C ATOM 82 C LYS A 9 7.281 -8.073 4.052 1.00 0.00 C ATOM 83 O LYS A 9 7.573 -7.849 2.877 1.00 0.00 O ATOM 84 CB LYS A 9 8.195 -9.772 5.644 1.00 0.00 C ATOM 85 CG LYS A 9 9.397 -10.265 6.431 1.00 0.00 C ATOM 86 CD LYS A 9 9.348 -9.797 7.876 1.00 0.00 C ATOM 87 CE LYS A 9 10.235 -10.650 8.769 1.00 0.00 C ATOM 88 NZ LYS A 9 9.662 -12.007 8.988 1.00 0.00 N ATOM 0 H LYS A 9 8.262 -7.784 7.099 1.00 0.00 H new ATOM 0 HA LYS A 9 9.338 -8.283 4.596 1.00 0.00 H new ATOM 0 HB2 LYS A 9 7.316 -9.795 6.288 1.00 0.00 H new ATOM 0 HB3 LYS A 9 8.004 -10.459 4.819 1.00 0.00 H new ATOM 0 HG2 LYS A 9 9.431 -11.354 6.401 1.00 0.00 H new ATOM 0 HG3 LYS A 9 10.313 -9.905 5.962 1.00 0.00 H new ATOM 0 HD2 LYS A 9 9.666 -8.756 7.933 1.00 0.00 H new ATOM 0 HD3 LYS A 9 8.321 -9.837 8.238 1.00 0.00 H new ATOM 0 HE2 LYS A 9 11.223 -10.742 8.318 1.00 0.00 H new ATOM 0 HE3 LYS A 9 10.368 -10.153 9.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 10.147 -12.464 9.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 8.647 -11.925 9.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 9.792 -12.581 8.131 1.00 0.00 H new ATOM 102 N ILE A 10 6.029 -8.082 4.499 1.00 0.00 N ATOM 103 CA ILE A 10 4.901 -7.822 3.613 1.00 0.00 C ATOM 104 C ILE A 10 5.069 -6.492 2.885 1.00 0.00 C ATOM 105 O ILE A 10 5.517 -5.505 3.469 1.00 0.00 O ATOM 106 CB ILE A 10 3.570 -7.807 4.387 1.00 0.00 C ATOM 107 CG1 ILE A 10 3.788 -7.287 5.809 1.00 0.00 C ATOM 108 CG2 ILE A 10 2.957 -9.199 4.413 1.00 0.00 C ATOM 109 CD1 ILE A 10 4.053 -8.382 6.818 1.00 0.00 C ATOM 0 H ILE A 10 5.771 -8.266 5.468 1.00 0.00 H new ATOM 0 HA ILE A 10 4.879 -8.632 2.884 1.00 0.00 H new ATOM 0 HB ILE A 10 2.878 -7.136 3.878 1.00 0.00 H new ATOM 0 HG12 ILE A 10 4.629 -6.593 5.809 1.00 0.00 H new ATOM 0 HG13 ILE A 10 2.909 -6.723 6.120 1.00 0.00 H new ATOM 0 HG21 ILE A 10 2.017 -9.172 4.964 1.00 0.00 H new ATOM 0 HG22 ILE A 10 2.771 -9.534 3.393 1.00 0.00 H new ATOM 0 HG23 ILE A 10 3.644 -9.890 4.902 1.00 0.00 H new ATOM 0 HD11 ILE A 10 4.198 -7.941 7.804 1.00 0.00 H new ATOM 0 HD12 ILE A 10 3.203 -9.064 6.847 1.00 0.00 H new ATOM 0 HD13 ILE A 10 4.949 -8.932 6.531 1.00 0.00 H new ATOM 121 N HIS A 11 4.705 -6.473 1.607 1.00 0.00 N ATOM 122 CA HIS A 11 4.812 -5.263 0.800 1.00 0.00 C ATOM 123 C HIS A 11 3.671 -5.180 -0.210 1.00 0.00 C ATOM 124 O HIS A 11 3.304 -6.179 -0.830 1.00 0.00 O ATOM 125 CB HIS A 11 6.156 -5.228 0.071 1.00 0.00 C ATOM 126 CG HIS A 11 6.144 -5.946 -1.243 1.00 0.00 C ATOM 127 ND1 HIS A 11 5.440 -5.496 -2.340 1.00 0.00 N ATOM 128 CD2 HIS A 11 6.757 -7.088 -1.634 1.00 0.00 C ATOM 129 CE1 HIS A 11 5.619 -6.331 -3.348 1.00 0.00 C ATOM 130 NE2 HIS A 11 6.414 -7.306 -2.946 1.00 0.00 N ATOM 0 H HIS A 11 4.334 -7.281 1.108 1.00 0.00 H new ATOM 0 HA HIS A 11 4.746 -4.404 1.468 1.00 0.00 H new ATOM 0 HB2 HIS A 11 6.443 -4.190 -0.094 1.00 0.00 H new ATOM 0 HB3 HIS A 11 6.919 -5.672 0.711 1.00 0.00 H new ATOM 0 HD1 HIS A 11 4.870 -4.651 -2.369 1.00 0.00 H new ATOM 0 HD2 HIS A 11 7.397 -7.712 -1.027 1.00 0.00 H new ATOM 0 HE1 HIS A 11 5.188 -6.233 -4.334 1.00 0.00 H new ATOM 138 N PHE A 12 3.113 -3.985 -0.368 1.00 0.00 N ATOM 139 CA PHE A 12 2.012 -3.772 -1.301 1.00 0.00 C ATOM 140 C PHE A 12 2.511 -3.786 -2.743 1.00 0.00 C ATOM 141 O PHE A 12 3.625 -3.350 -3.030 1.00 0.00 O ATOM 142 CB PHE A 12 1.313 -2.444 -1.004 1.00 0.00 C ATOM 143 CG PHE A 12 0.357 -2.516 0.152 1.00 0.00 C ATOM 144 CD1 PHE A 12 -0.879 -3.127 0.009 1.00 0.00 C ATOM 145 CD2 PHE A 12 0.692 -1.971 1.381 1.00 0.00 C ATOM 146 CE1 PHE A 12 -1.761 -3.194 1.070 1.00 0.00 C ATOM 147 CE2 PHE A 12 -0.186 -2.036 2.446 1.00 0.00 C ATOM 148 CZ PHE A 12 -1.415 -2.647 2.290 1.00 0.00 C ATOM 0 H PHE A 12 3.405 -3.149 0.138 1.00 0.00 H new ATOM 0 HA PHE A 12 1.298 -4.586 -1.174 1.00 0.00 H new ATOM 0 HB2 PHE A 12 2.067 -1.685 -0.795 1.00 0.00 H new ATOM 0 HB3 PHE A 12 0.772 -2.120 -1.893 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -1.156 -3.556 -0.943 1.00 0.00 H new ATOM 0 HD2 PHE A 12 1.650 -1.490 1.508 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -2.721 -3.674 0.946 1.00 0.00 H new ATOM 0 HE2 PHE A 12 0.088 -1.609 3.400 1.00 0.00 H new ATOM 0 HZ PHE A 12 -2.104 -2.697 3.120 1.00 0.00 H new ATOM 158 N ASN A 13 1.677 -4.292 -3.646 1.00 0.00 N ATOM 159 CA ASN A 13 2.033 -4.365 -5.059 1.00 0.00 C ATOM 160 C ASN A 13 2.641 -3.049 -5.535 1.00 0.00 C ATOM 161 O ASN A 13 3.383 -3.015 -6.517 1.00 0.00 O ATOM 162 CB ASN A 13 0.801 -4.704 -5.900 1.00 0.00 C ATOM 163 CG ASN A 13 -0.279 -3.644 -5.795 1.00 0.00 C ATOM 164 OD1 ASN A 13 -0.238 -2.784 -4.915 1.00 0.00 O ATOM 165 ND2 ASN A 13 -1.254 -3.702 -6.696 1.00 0.00 N ATOM 0 H ASN A 13 0.751 -4.657 -3.425 1.00 0.00 H new ATOM 0 HA ASN A 13 2.776 -5.153 -5.181 1.00 0.00 H new ATOM 0 HB2 ASN A 13 1.096 -4.816 -6.943 1.00 0.00 H new ATOM 0 HB3 ASN A 13 0.397 -5.664 -5.578 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -2.009 -3.016 -6.676 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -1.248 -4.432 -7.408 1.00 0.00 H new ATOM 172 N PHE A 14 2.323 -1.967 -4.831 1.00 0.00 N ATOM 173 CA PHE A 14 2.837 -0.649 -5.181 1.00 0.00 C ATOM 174 C PHE A 14 3.170 0.156 -3.928 1.00 0.00 C ATOM 175 O PHE A 14 2.736 -0.183 -2.828 1.00 0.00 O ATOM 176 CB PHE A 14 1.817 0.111 -6.032 1.00 0.00 C ATOM 177 CG PHE A 14 0.391 -0.202 -5.680 1.00 0.00 C ATOM 178 CD1 PHE A 14 -0.028 -0.191 -4.359 1.00 0.00 C ATOM 179 CD2 PHE A 14 -0.530 -0.507 -6.669 1.00 0.00 C ATOM 180 CE1 PHE A 14 -1.340 -0.479 -4.032 1.00 0.00 C ATOM 181 CE2 PHE A 14 -1.843 -0.796 -6.347 1.00 0.00 C ATOM 182 CZ PHE A 14 -2.249 -0.781 -5.027 1.00 0.00 C ATOM 0 H PHE A 14 1.712 -1.978 -4.015 1.00 0.00 H new ATOM 0 HA PHE A 14 3.752 -0.786 -5.758 1.00 0.00 H new ATOM 0 HB2 PHE A 14 1.985 1.182 -5.916 1.00 0.00 H new ATOM 0 HB3 PHE A 14 1.984 -0.126 -7.083 1.00 0.00 H new ATOM 0 HD1 PHE A 14 0.678 0.045 -3.577 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -0.219 -0.519 -7.703 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -1.654 -0.468 -2.999 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -2.551 -1.033 -7.127 1.00 0.00 H new ATOM 0 HZ PHE A 14 -3.275 -1.005 -4.773 1.00 0.00 H new ATOM 192 N GLU A 15 3.945 1.222 -4.105 1.00 0.00 N ATOM 193 CA GLU A 15 4.337 2.073 -2.988 1.00 0.00 C ATOM 194 C GLU A 15 3.295 3.160 -2.740 1.00 0.00 C ATOM 195 O GLU A 15 3.116 3.618 -1.611 1.00 0.00 O ATOM 196 CB GLU A 15 5.701 2.712 -3.260 1.00 0.00 C ATOM 197 CG GLU A 15 5.703 3.658 -4.449 1.00 0.00 C ATOM 198 CD GLU A 15 5.289 5.068 -4.074 1.00 0.00 C ATOM 199 OE1 GLU A 15 5.126 5.337 -2.865 1.00 0.00 O ATOM 200 OE2 GLU A 15 5.127 5.902 -4.990 1.00 0.00 O ATOM 0 H GLU A 15 4.313 1.516 -5.010 1.00 0.00 H new ATOM 0 HA GLU A 15 4.406 1.450 -2.096 1.00 0.00 H new ATOM 0 HB2 GLU A 15 6.021 3.257 -2.372 1.00 0.00 H new ATOM 0 HB3 GLU A 15 6.434 1.924 -3.432 1.00 0.00 H new ATOM 0 HG2 GLU A 15 6.700 3.681 -4.888 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.026 3.276 -5.214 1.00 0.00 H new ATOM 207 N LEU A 16 2.609 3.567 -3.802 1.00 0.00 N ATOM 208 CA LEU A 16 1.584 4.600 -3.701 1.00 0.00 C ATOM 209 C LEU A 16 0.342 4.214 -4.497 1.00 0.00 C ATOM 210 O LEU A 16 0.414 3.419 -5.435 1.00 0.00 O ATOM 211 CB LEU A 16 2.130 5.939 -4.202 1.00 0.00 C ATOM 212 CG LEU A 16 1.141 7.105 -4.212 1.00 0.00 C ATOM 213 CD1 LEU A 16 1.870 8.424 -4.004 1.00 0.00 C ATOM 214 CD2 LEU A 16 0.355 7.128 -5.514 1.00 0.00 C ATOM 0 H LEU A 16 2.744 3.198 -4.743 1.00 0.00 H new ATOM 0 HA LEU A 16 1.304 4.699 -2.652 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.982 6.216 -3.581 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.506 5.799 -5.215 1.00 0.00 H new ATOM 0 HG LEU A 16 0.438 6.967 -3.390 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.151 9.243 -4.014 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.387 8.407 -3.044 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.596 8.569 -4.804 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.344 7.965 -5.503 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.043 7.241 -6.352 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -0.198 6.195 -5.622 1.00 0.00 H new ATOM 226 N LEU A 17 -0.797 4.784 -4.119 1.00 0.00 N ATOM 227 CA LEU A 17 -2.057 4.501 -4.799 1.00 0.00 C ATOM 228 C LEU A 17 -2.795 5.793 -5.136 1.00 0.00 C ATOM 229 O LEU A 17 -3.496 6.357 -4.296 1.00 0.00 O ATOM 230 CB LEU A 17 -2.941 3.608 -3.927 1.00 0.00 C ATOM 231 CG LEU A 17 -4.406 3.495 -4.351 1.00 0.00 C ATOM 232 CD1 LEU A 17 -4.552 2.528 -5.515 1.00 0.00 C ATOM 233 CD2 LEU A 17 -5.268 3.053 -3.177 1.00 0.00 C ATOM 0 H LEU A 17 -0.874 5.445 -3.346 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.831 3.980 -5.729 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.510 2.607 -3.912 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.907 3.985 -2.905 1.00 0.00 H new ATOM 0 HG LEU A 17 -4.747 4.478 -4.677 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -5.601 2.461 -5.803 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -3.966 2.886 -6.361 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -4.194 1.543 -5.217 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -6.307 2.978 -3.497 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.927 2.081 -2.821 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.188 3.783 -2.372 1.00 0.00 H new ATOM 245 N ASP A 18 -2.634 6.255 -6.371 1.00 0.00 N ATOM 246 CA ASP A 18 -3.288 7.478 -6.821 1.00 0.00 C ATOM 247 C ASP A 18 -4.680 7.180 -7.369 1.00 0.00 C ATOM 248 O ASP A 18 -4.826 6.486 -8.376 1.00 0.00 O ATOM 249 CB ASP A 18 -2.442 8.170 -7.892 1.00 0.00 C ATOM 250 CG ASP A 18 -3.233 9.193 -8.683 1.00 0.00 C ATOM 251 OD1 ASP A 18 -3.932 10.016 -8.056 1.00 0.00 O ATOM 252 OD2 ASP A 18 -3.154 9.171 -9.929 1.00 0.00 O ATOM 0 H ASP A 18 -2.056 5.801 -7.078 1.00 0.00 H new ATOM 0 HA ASP A 18 -3.390 8.143 -5.963 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -1.591 8.660 -7.418 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -2.039 7.420 -8.573 1.00 0.00 H new ATOM 257 N ILE A 19 -5.699 7.709 -6.700 1.00 0.00 N ATOM 258 CA ILE A 19 -7.079 7.499 -7.120 1.00 0.00 C ATOM 259 C ILE A 19 -7.564 8.643 -8.005 1.00 0.00 C ATOM 260 O ILE A 19 -8.745 8.724 -8.341 1.00 0.00 O ATOM 261 CB ILE A 19 -8.022 7.366 -5.909 1.00 0.00 C ATOM 262 CG1 ILE A 19 -8.057 8.674 -5.116 1.00 0.00 C ATOM 263 CG2 ILE A 19 -7.583 6.213 -5.020 1.00 0.00 C ATOM 264 CD1 ILE A 19 -8.637 8.523 -3.728 1.00 0.00 C ATOM 0 H ILE A 19 -5.595 8.286 -5.865 1.00 0.00 H new ATOM 0 HA ILE A 19 -7.098 6.569 -7.689 1.00 0.00 H new ATOM 0 HB ILE A 19 -9.028 7.156 -6.272 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -7.044 9.069 -5.037 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -8.643 9.409 -5.668 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -8.259 6.132 -4.169 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -7.605 5.285 -5.591 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -6.570 6.395 -4.662 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -8.631 9.489 -3.224 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -9.662 8.158 -3.800 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -8.038 7.813 -3.158 1.00 0.00 H new ATOM 276 N GLY A 20 -6.643 9.525 -8.380 1.00 0.00 N ATOM 277 CA GLY A 20 -6.995 10.652 -9.224 1.00 0.00 C ATOM 278 C GLY A 20 -8.174 11.435 -8.683 1.00 0.00 C ATOM 279 O GLY A 20 -8.219 11.764 -7.497 1.00 0.00 O ATOM 0 H GLY A 20 -5.659 9.479 -8.114 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -6.135 11.315 -9.317 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -7.230 10.292 -10.226 1.00 0.00 H new ATOM 283 N LYS A 21 -9.131 11.738 -9.553 1.00 0.00 N ATOM 284 CA LYS A 21 -10.317 12.489 -9.157 1.00 0.00 C ATOM 285 C LYS A 21 -11.457 11.548 -8.781 1.00 0.00 C ATOM 286 O LYS A 21 -11.568 10.446 -9.318 1.00 0.00 O ATOM 287 CB LYS A 21 -10.760 13.417 -10.290 1.00 0.00 C ATOM 288 CG LYS A 21 -9.808 14.574 -10.536 1.00 0.00 C ATOM 289 CD LYS A 21 -9.969 15.141 -11.937 1.00 0.00 C ATOM 290 CE LYS A 21 -8.897 16.174 -12.248 1.00 0.00 C ATOM 291 NZ LYS A 21 -7.675 15.548 -12.825 1.00 0.00 N ATOM 0 H LYS A 21 -9.109 11.475 -10.538 1.00 0.00 H new ATOM 0 HA LYS A 21 -10.062 13.089 -8.283 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -10.857 12.836 -11.207 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -11.748 13.814 -10.058 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -9.990 15.359 -9.802 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -8.781 14.238 -10.395 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -9.918 14.332 -12.666 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -10.954 15.597 -12.035 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -9.293 16.910 -12.948 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -8.634 16.711 -11.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -6.968 16.285 -13.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -7.282 14.864 -12.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -7.920 15.057 -13.708 1.00 0.00 H new ATOM 305 N VAL A 22 -12.303 11.990 -7.856 1.00 0.00 N ATOM 306 CA VAL A 22 -13.436 11.188 -7.410 1.00 0.00 C ATOM 307 C VAL A 22 -14.657 12.061 -7.144 1.00 0.00 C ATOM 308 O VAL A 22 -14.599 13.004 -6.354 1.00 0.00 O ATOM 309 CB VAL A 22 -13.096 10.398 -6.133 1.00 0.00 C ATOM 310 CG1 VAL A 22 -12.062 9.322 -6.429 1.00 0.00 C ATOM 311 CG2 VAL A 22 -12.604 11.336 -5.041 1.00 0.00 C ATOM 0 H VAL A 22 -12.225 12.899 -7.401 1.00 0.00 H new ATOM 0 HA VAL A 22 -13.663 10.487 -8.213 1.00 0.00 H new ATOM 0 HB VAL A 22 -14.003 9.908 -5.778 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -11.835 8.774 -5.514 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -12.457 8.633 -7.176 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -11.152 9.786 -6.809 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -12.368 10.760 -4.146 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -11.710 11.856 -5.384 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -13.381 12.065 -4.810 1.00 0.00 H new ATOM 321 N PHE A 23 -15.762 11.742 -7.810 1.00 0.00 N ATOM 322 CA PHE A 23 -16.998 12.498 -7.646 1.00 0.00 C ATOM 323 C PHE A 23 -17.390 12.588 -6.174 1.00 0.00 C ATOM 324 O PHE A 23 -17.300 11.608 -5.434 1.00 0.00 O ATOM 325 CB PHE A 23 -18.128 11.849 -8.448 1.00 0.00 C ATOM 326 CG PHE A 23 -19.303 12.757 -8.672 1.00 0.00 C ATOM 327 CD1 PHE A 23 -19.158 13.935 -9.386 1.00 0.00 C ATOM 328 CD2 PHE A 23 -20.553 12.431 -8.169 1.00 0.00 C ATOM 329 CE1 PHE A 23 -20.238 14.773 -9.592 1.00 0.00 C ATOM 330 CE2 PHE A 23 -21.636 13.265 -8.373 1.00 0.00 C ATOM 331 CZ PHE A 23 -21.479 14.437 -9.086 1.00 0.00 C ATOM 0 H PHE A 23 -15.827 10.965 -8.468 1.00 0.00 H new ATOM 0 HA PHE A 23 -16.829 13.508 -8.021 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -17.739 11.527 -9.414 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -18.465 10.954 -7.926 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -18.191 14.202 -9.786 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -20.682 11.515 -7.611 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -20.112 15.690 -10.148 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -22.604 13.000 -7.975 1.00 0.00 H new ATOM 0 HZ PHE A 23 -22.324 15.090 -9.248 1.00 0.00 H new ATOM 341 N THR A 24 -17.824 13.773 -5.755 1.00 0.00 N ATOM 342 CA THR A 24 -18.228 13.993 -4.372 1.00 0.00 C ATOM 343 C THR A 24 -19.464 13.172 -4.023 1.00 0.00 C ATOM 344 O THR A 24 -20.289 12.877 -4.886 1.00 0.00 O ATOM 345 CB THR A 24 -18.521 15.481 -4.103 1.00 0.00 C ATOM 346 OG1 THR A 24 -18.627 15.712 -2.694 1.00 0.00 O ATOM 347 CG2 THR A 24 -19.807 15.913 -4.791 1.00 0.00 C ATOM 0 H THR A 24 -17.905 14.595 -6.354 1.00 0.00 H new ATOM 0 HA THR A 24 -17.395 13.675 -3.745 1.00 0.00 H new ATOM 0 HB THR A 24 -17.697 16.069 -4.507 1.00 0.00 H new ATOM 0 HG1 THR A 24 -18.812 16.661 -2.531 1.00 0.00 H new ATOM 0 HG21 THR A 24 -19.993 16.967 -4.586 1.00 0.00 H new ATOM 0 HG22 THR A 24 -19.712 15.763 -5.867 1.00 0.00 H new ATOM 0 HG23 THR A 24 -20.639 15.318 -4.414 1.00 0.00 H new ATOM 355 N GLY A 25 -19.586 12.806 -2.750 1.00 0.00 N ATOM 356 CA GLY A 25 -20.725 12.023 -2.310 1.00 0.00 C ATOM 357 C GLY A 25 -20.880 10.734 -3.092 1.00 0.00 C ATOM 358 O GLY A 25 -21.997 10.292 -3.359 1.00 0.00 O ATOM 0 H GLY A 25 -18.916 13.038 -2.017 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -20.615 11.791 -1.251 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -21.632 12.618 -2.413 1.00 0.00 H new ATOM 362 N SER A 26 -19.756 10.130 -3.462 1.00 0.00 N ATOM 363 CA SER A 26 -19.771 8.886 -4.224 1.00 0.00 C ATOM 364 C SER A 26 -18.760 7.892 -3.661 1.00 0.00 C ATOM 365 O SER A 26 -17.675 8.273 -3.224 1.00 0.00 O ATOM 366 CB SER A 26 -19.466 9.162 -5.698 1.00 0.00 C ATOM 367 OG SER A 26 -19.721 8.018 -6.494 1.00 0.00 O ATOM 0 H SER A 26 -18.823 10.481 -3.247 1.00 0.00 H new ATOM 0 HA SER A 26 -20.767 8.451 -4.142 1.00 0.00 H new ATOM 0 HB2 SER A 26 -20.074 9.996 -6.049 1.00 0.00 H new ATOM 0 HB3 SER A 26 -18.423 9.460 -5.807 1.00 0.00 H new ATOM 0 HG SER A 26 -19.520 8.220 -7.432 1.00 0.00 H new ATOM 373 N ALA A 27 -19.125 6.614 -3.676 1.00 0.00 N ATOM 374 CA ALA A 27 -18.251 5.564 -3.169 1.00 0.00 C ATOM 375 C ALA A 27 -17.534 4.849 -4.309 1.00 0.00 C ATOM 376 O ALA A 27 -18.166 4.377 -5.255 1.00 0.00 O ATOM 377 CB ALA A 27 -19.048 4.568 -2.339 1.00 0.00 C ATOM 0 H ALA A 27 -20.020 6.281 -4.034 1.00 0.00 H new ATOM 0 HA ALA A 27 -17.497 6.029 -2.534 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -18.382 3.789 -1.967 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -19.510 5.083 -1.497 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -19.824 4.117 -2.958 1.00 0.00 H new ATOM 383 N HIS A 28 -16.210 4.773 -4.214 1.00 0.00 N ATOM 384 CA HIS A 28 -15.406 4.116 -5.239 1.00 0.00 C ATOM 385 C HIS A 28 -14.974 2.726 -4.782 1.00 0.00 C ATOM 386 O HIS A 28 -15.137 2.367 -3.615 1.00 0.00 O ATOM 387 CB HIS A 28 -14.176 4.961 -5.572 1.00 0.00 C ATOM 388 CG HIS A 28 -14.482 6.152 -6.427 1.00 0.00 C ATOM 389 ND1 HIS A 28 -14.077 6.260 -7.741 1.00 0.00 N ATOM 390 CD2 HIS A 28 -15.159 7.291 -6.149 1.00 0.00 C ATOM 391 CE1 HIS A 28 -14.491 7.414 -8.234 1.00 0.00 C ATOM 392 NE2 HIS A 28 -15.150 8.058 -7.288 1.00 0.00 N ATOM 0 H HIS A 28 -15.671 5.158 -3.438 1.00 0.00 H new ATOM 0 HA HIS A 28 -16.019 4.011 -6.134 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -13.715 5.299 -4.644 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -13.443 4.336 -6.082 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -15.620 7.548 -5.207 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -14.320 7.770 -9.239 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -15.582 8.976 -7.387 1.00 0.00 H new ATOM 400 N CYS A 29 -14.424 1.949 -5.708 1.00 0.00 N ATOM 401 CA CYS A 29 -13.970 0.597 -5.400 1.00 0.00 C ATOM 402 C CYS A 29 -12.498 0.424 -5.757 1.00 0.00 C ATOM 403 O CYS A 29 -12.118 0.500 -6.925 1.00 0.00 O ATOM 404 CB CYS A 29 -14.815 -0.431 -6.154 1.00 0.00 C ATOM 405 SG CYS A 29 -16.561 -0.440 -5.684 1.00 0.00 S ATOM 0 H CYS A 29 -14.281 2.231 -6.678 1.00 0.00 H new ATOM 0 HA CYS A 29 -14.086 0.436 -4.328 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -14.739 -0.234 -7.223 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -14.399 -1.424 -5.982 1.00 0.00 H new ATOM 0 HG CYS A 29 -17.192 -1.340 -6.377 1.00 0.00 H new ATOM 411 N TYR A 30 -11.672 0.191 -4.742 1.00 0.00 N ATOM 412 CA TYR A 30 -10.240 0.011 -4.948 1.00 0.00 C ATOM 413 C TYR A 30 -9.784 -1.354 -4.443 1.00 0.00 C ATOM 414 O TYR A 30 -10.550 -2.081 -3.811 1.00 0.00 O ATOM 415 CB TYR A 30 -9.458 1.117 -4.237 1.00 0.00 C ATOM 416 CG TYR A 30 -10.029 2.500 -4.457 1.00 0.00 C ATOM 417 CD1 TYR A 30 -10.288 2.971 -5.738 1.00 0.00 C ATOM 418 CD2 TYR A 30 -10.311 3.335 -3.382 1.00 0.00 C ATOM 419 CE1 TYR A 30 -10.809 4.233 -5.943 1.00 0.00 C ATOM 420 CE2 TYR A 30 -10.834 4.598 -3.578 1.00 0.00 C ATOM 421 CZ TYR A 30 -11.081 5.043 -4.860 1.00 0.00 C ATOM 422 OH TYR A 30 -11.601 6.301 -5.060 1.00 0.00 O ATOM 0 H TYR A 30 -11.970 0.122 -3.769 1.00 0.00 H new ATOM 0 HA TYR A 30 -10.043 0.066 -6.019 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -9.439 0.907 -3.168 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -8.425 1.100 -4.584 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -10.078 2.339 -6.588 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -10.118 2.990 -2.377 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -11.003 4.584 -6.946 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -11.048 5.234 -2.732 1.00 0.00 H new ATOM 0 HH TYR A 30 -11.735 6.741 -4.195 1.00 0.00 H new ATOM 432 N GLU A 31 -8.531 -1.695 -4.726 1.00 0.00 N ATOM 433 CA GLU A 31 -7.972 -2.973 -4.301 1.00 0.00 C ATOM 434 C GLU A 31 -6.468 -2.861 -4.074 1.00 0.00 C ATOM 435 O GLU A 31 -5.759 -2.216 -4.846 1.00 0.00 O ATOM 436 CB GLU A 31 -8.263 -4.054 -5.345 1.00 0.00 C ATOM 437 CG GLU A 31 -8.045 -5.468 -4.833 1.00 0.00 C ATOM 438 CD GLU A 31 -8.590 -6.521 -5.779 1.00 0.00 C ATOM 439 OE1 GLU A 31 -7.957 -6.759 -6.828 1.00 0.00 O ATOM 440 OE2 GLU A 31 -9.649 -7.106 -5.469 1.00 0.00 O ATOM 0 H GLU A 31 -7.884 -1.104 -5.248 1.00 0.00 H new ATOM 0 HA GLU A 31 -8.444 -3.251 -3.359 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -9.295 -3.954 -5.682 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -7.626 -3.889 -6.214 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -6.978 -5.636 -4.684 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -8.524 -5.576 -3.860 1.00 0.00 H new ATOM 447 N ALA A 32 -5.987 -3.494 -3.009 1.00 0.00 N ATOM 448 CA ALA A 32 -4.567 -3.467 -2.680 1.00 0.00 C ATOM 449 C ALA A 32 -4.044 -4.870 -2.392 1.00 0.00 C ATOM 450 O ALA A 32 -4.505 -5.536 -1.464 1.00 0.00 O ATOM 451 CB ALA A 32 -4.319 -2.553 -1.489 1.00 0.00 C ATOM 0 H ALA A 32 -6.560 -4.032 -2.359 1.00 0.00 H new ATOM 0 HA ALA A 32 -4.026 -3.076 -3.542 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -3.255 -2.542 -1.254 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.647 -1.542 -1.731 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.877 -2.919 -0.627 1.00 0.00 H new ATOM 457 N ILE A 33 -3.080 -5.312 -3.191 1.00 0.00 N ATOM 458 CA ILE A 33 -2.494 -6.636 -3.021 1.00 0.00 C ATOM 459 C ILE A 33 -1.226 -6.571 -2.176 1.00 0.00 C ATOM 460 O ILE A 33 -0.288 -5.841 -2.500 1.00 0.00 O ATOM 461 CB ILE A 33 -2.161 -7.283 -4.378 1.00 0.00 C ATOM 462 CG1 ILE A 33 -3.133 -6.793 -5.453 1.00 0.00 C ATOM 463 CG2 ILE A 33 -2.207 -8.800 -4.267 1.00 0.00 C ATOM 464 CD1 ILE A 33 -4.588 -6.960 -5.075 1.00 0.00 C ATOM 0 H ILE A 33 -2.688 -4.773 -3.963 1.00 0.00 H new ATOM 0 HA ILE A 33 -3.238 -7.247 -2.510 1.00 0.00 H new ATOM 0 HB ILE A 33 -1.152 -6.989 -4.666 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -2.937 -5.740 -5.655 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -2.942 -7.336 -6.379 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.969 -9.243 -5.234 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -1.479 -9.133 -3.527 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -3.205 -9.112 -3.960 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -5.219 -6.592 -5.884 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -4.800 -8.015 -4.901 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -4.795 -6.394 -4.167 1.00 0.00 H new ATOM 476 N LEU A 34 -1.203 -7.341 -1.094 1.00 0.00 N ATOM 477 CA LEU A 34 -0.048 -7.373 -0.203 1.00 0.00 C ATOM 478 C LEU A 34 0.711 -8.689 -0.342 1.00 0.00 C ATOM 479 O LEU A 34 0.173 -9.760 -0.063 1.00 0.00 O ATOM 480 CB LEU A 34 -0.494 -7.180 1.248 1.00 0.00 C ATOM 481 CG LEU A 34 0.562 -6.626 2.206 1.00 0.00 C ATOM 482 CD1 LEU A 34 0.978 -5.224 1.789 1.00 0.00 C ATOM 483 CD2 LEU A 34 0.038 -6.626 3.635 1.00 0.00 C ATOM 0 H LEU A 34 -1.970 -7.951 -0.812 1.00 0.00 H new ATOM 0 HA LEU A 34 0.619 -6.558 -0.484 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.352 -6.508 1.257 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -0.837 -8.141 1.633 1.00 0.00 H new ATOM 0 HG LEU A 34 1.439 -7.271 2.162 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.730 -4.846 2.482 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.394 -5.252 0.782 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.108 -4.567 1.803 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.802 -6.229 4.303 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.855 -6.004 3.695 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.209 -7.645 3.932 1.00 0.00 H new ATOM 495 N TYR A 35 1.963 -8.600 -0.775 1.00 0.00 N ATOM 496 CA TYR A 35 2.797 -9.783 -0.952 1.00 0.00 C ATOM 497 C TYR A 35 3.569 -10.101 0.325 1.00 0.00 C ATOM 498 O TYR A 35 4.353 -9.286 0.809 1.00 0.00 O ATOM 499 CB TYR A 35 3.771 -9.577 -2.113 1.00 0.00 C ATOM 500 CG TYR A 35 3.097 -9.506 -3.464 1.00 0.00 C ATOM 501 CD1 TYR A 35 2.141 -8.534 -3.735 1.00 0.00 C ATOM 502 CD2 TYR A 35 3.414 -10.410 -4.470 1.00 0.00 C ATOM 503 CE1 TYR A 35 1.522 -8.465 -4.968 1.00 0.00 C ATOM 504 CE2 TYR A 35 2.801 -10.348 -5.706 1.00 0.00 C ATOM 505 CZ TYR A 35 1.855 -9.374 -5.950 1.00 0.00 C ATOM 506 OH TYR A 35 1.241 -9.310 -7.180 1.00 0.00 O ATOM 0 H TYR A 35 2.423 -7.721 -1.010 1.00 0.00 H new ATOM 0 HA TYR A 35 2.145 -10.626 -1.180 1.00 0.00 H new ATOM 0 HB2 TYR A 35 4.331 -8.657 -1.947 1.00 0.00 H new ATOM 0 HB3 TYR A 35 4.493 -10.393 -2.119 1.00 0.00 H new ATOM 0 HD1 TYR A 35 1.878 -7.820 -2.968 1.00 0.00 H new ATOM 0 HD2 TYR A 35 4.153 -11.175 -4.282 1.00 0.00 H new ATOM 0 HE1 TYR A 35 0.781 -7.703 -5.162 1.00 0.00 H new ATOM 0 HE2 TYR A 35 3.061 -11.058 -6.477 1.00 0.00 H new ATOM 0 HH TYR A 35 1.590 -10.021 -7.757 1.00 0.00 H new ATOM 516 N ASN A 36 3.342 -11.294 0.865 1.00 0.00 N ATOM 517 CA ASN A 36 4.015 -11.722 2.085 1.00 0.00 C ATOM 518 C ASN A 36 5.423 -12.227 1.781 1.00 0.00 C ATOM 519 O ASN A 36 5.598 -13.282 1.171 1.00 0.00 O ATOM 520 CB ASN A 36 3.207 -12.819 2.781 1.00 0.00 C ATOM 521 CG ASN A 36 4.012 -13.546 3.841 1.00 0.00 C ATOM 522 OD1 ASN A 36 5.127 -14.001 3.587 1.00 0.00 O ATOM 523 ND2 ASN A 36 3.448 -13.658 5.038 1.00 0.00 N ATOM 0 H ASN A 36 2.697 -11.982 0.476 1.00 0.00 H new ATOM 0 HA ASN A 36 4.092 -10.861 2.749 1.00 0.00 H new ATOM 0 HB2 ASN A 36 2.322 -12.379 3.240 1.00 0.00 H new ATOM 0 HB3 ASN A 36 2.858 -13.536 2.038 1.00 0.00 H new ATOM 0 HD21 ASN A 36 3.941 -14.137 5.792 1.00 0.00 H new ATOM 0 HD22 ASN A 36 2.521 -13.265 5.204 1.00 0.00 H new ATOM 530 N LYS A 37 6.424 -11.467 2.211 1.00 0.00 N ATOM 531 CA LYS A 37 7.816 -11.837 1.988 1.00 0.00 C ATOM 532 C LYS A 37 8.464 -12.325 3.280 1.00 0.00 C ATOM 533 O LYS A 37 9.590 -11.949 3.602 1.00 0.00 O ATOM 534 CB LYS A 37 8.599 -10.645 1.432 1.00 0.00 C ATOM 535 CG LYS A 37 8.224 -10.284 0.005 1.00 0.00 C ATOM 536 CD LYS A 37 8.895 -11.208 -0.998 1.00 0.00 C ATOM 537 CE LYS A 37 8.063 -11.356 -2.263 1.00 0.00 C ATOM 538 NZ LYS A 37 8.296 -12.667 -2.930 1.00 0.00 N ATOM 0 H LYS A 37 6.297 -10.590 2.716 1.00 0.00 H new ATOM 0 HA LYS A 37 7.837 -12.650 1.262 1.00 0.00 H new ATOM 0 HB2 LYS A 37 8.431 -9.780 2.073 1.00 0.00 H new ATOM 0 HB3 LYS A 37 9.665 -10.870 1.473 1.00 0.00 H new ATOM 0 HG2 LYS A 37 7.142 -10.341 -0.113 1.00 0.00 H new ATOM 0 HG3 LYS A 37 8.513 -9.253 -0.199 1.00 0.00 H new ATOM 0 HD2 LYS A 37 9.880 -10.816 -1.253 1.00 0.00 H new ATOM 0 HD3 LYS A 37 9.049 -12.188 -0.546 1.00 0.00 H new ATOM 0 HE2 LYS A 37 7.006 -11.257 -2.016 1.00 0.00 H new ATOM 0 HE3 LYS A 37 8.306 -10.549 -2.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 7.711 -12.729 -3.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 9.300 -12.751 -3.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 8.040 -13.438 -2.280 1.00 0.00 H new ATOM 552 N GLY A 38 7.744 -13.165 4.017 1.00 0.00 N ATOM 553 CA GLY A 38 8.265 -13.692 5.264 1.00 0.00 C ATOM 554 C GLY A 38 8.563 -15.177 5.188 1.00 0.00 C ATOM 555 O GLY A 38 8.749 -15.724 4.101 1.00 0.00 O ATOM 0 H GLY A 38 6.809 -13.490 3.772 1.00 0.00 H new ATOM 0 HA2 GLY A 38 9.176 -13.155 5.529 1.00 0.00 H new ATOM 0 HA3 GLY A 38 7.544 -13.510 6.061 1.00 0.00 H new ATOM 559 N SER A 39 8.608 -15.830 6.345 1.00 0.00 N ATOM 560 CA SER A 39 8.890 -17.259 6.405 1.00 0.00 C ATOM 561 C SER A 39 7.645 -18.042 6.807 1.00 0.00 C ATOM 562 O SER A 39 7.471 -19.197 6.417 1.00 0.00 O ATOM 563 CB SER A 39 10.023 -17.535 7.396 1.00 0.00 C ATOM 564 OG SER A 39 11.203 -16.844 7.027 1.00 0.00 O ATOM 0 H SER A 39 8.453 -15.392 7.253 1.00 0.00 H new ATOM 0 HA SER A 39 9.198 -17.586 5.412 1.00 0.00 H new ATOM 0 HB2 SER A 39 9.717 -17.230 8.397 1.00 0.00 H new ATOM 0 HB3 SER A 39 10.222 -18.606 7.436 1.00 0.00 H new ATOM 0 HG SER A 39 11.911 -17.036 7.677 1.00 0.00 H new ATOM 570 N ILE A 40 6.781 -17.406 7.591 1.00 0.00 N ATOM 571 CA ILE A 40 5.550 -18.041 8.046 1.00 0.00 C ATOM 572 C ILE A 40 4.400 -17.041 8.094 1.00 0.00 C ATOM 573 O ILE A 40 4.580 -15.858 7.806 1.00 0.00 O ATOM 574 CB ILE A 40 5.725 -18.673 9.439 1.00 0.00 C ATOM 575 CG1 ILE A 40 6.296 -17.647 10.420 1.00 0.00 C ATOM 576 CG2 ILE A 40 6.628 -19.895 9.357 1.00 0.00 C ATOM 577 CD1 ILE A 40 5.269 -16.658 10.926 1.00 0.00 C ATOM 0 H ILE A 40 6.911 -16.451 7.925 1.00 0.00 H new ATOM 0 HA ILE A 40 5.315 -18.826 7.327 1.00 0.00 H new ATOM 0 HB ILE A 40 4.748 -18.991 9.803 1.00 0.00 H new ATOM 0 HG12 ILE A 40 6.732 -18.172 11.270 1.00 0.00 H new ATOM 0 HG13 ILE A 40 7.105 -17.102 9.933 1.00 0.00 H new ATOM 0 HG21 ILE A 40 6.742 -20.330 10.350 1.00 0.00 H new ATOM 0 HG22 ILE A 40 6.184 -20.631 8.687 1.00 0.00 H new ATOM 0 HG23 ILE A 40 7.606 -19.600 8.976 1.00 0.00 H new ATOM 0 HD11 ILE A 40 5.744 -15.961 11.617 1.00 0.00 H new ATOM 0 HD12 ILE A 40 4.850 -16.106 10.085 1.00 0.00 H new ATOM 0 HD13 ILE A 40 4.472 -17.193 11.442 1.00 0.00 H new ATOM 589 N ASP A 41 3.218 -17.525 8.461 1.00 0.00 N ATOM 590 CA ASP A 41 2.038 -16.673 8.550 1.00 0.00 C ATOM 591 C ASP A 41 2.394 -15.310 9.135 1.00 0.00 C ATOM 592 O ASP A 41 2.992 -15.221 10.208 1.00 0.00 O ATOM 593 CB ASP A 41 0.962 -17.344 9.406 1.00 0.00 C ATOM 594 CG ASP A 41 1.551 -18.245 10.474 1.00 0.00 C ATOM 595 OD1 ASP A 41 1.987 -19.363 10.132 1.00 0.00 O ATOM 596 OD2 ASP A 41 1.574 -17.831 11.652 1.00 0.00 O ATOM 0 H ASP A 41 3.052 -18.502 8.701 1.00 0.00 H new ATOM 0 HA ASP A 41 1.650 -16.525 7.542 1.00 0.00 H new ATOM 0 HB2 ASP A 41 0.348 -16.578 9.879 1.00 0.00 H new ATOM 0 HB3 ASP A 41 0.303 -17.929 8.764 1.00 0.00 H new ATOM 601 N ALA A 42 2.025 -14.251 8.423 1.00 0.00 N ATOM 602 CA ALA A 42 2.305 -12.893 8.872 1.00 0.00 C ATOM 603 C ALA A 42 1.034 -12.201 9.354 1.00 0.00 C ATOM 604 O ALA A 42 0.072 -12.052 8.600 1.00 0.00 O ATOM 605 CB ALA A 42 2.953 -12.090 7.754 1.00 0.00 C ATOM 0 H ALA A 42 1.531 -14.307 7.532 1.00 0.00 H new ATOM 0 HA ALA A 42 2.998 -12.950 9.712 1.00 0.00 H new ATOM 0 HB1 ALA A 42 3.156 -11.078 8.104 1.00 0.00 H new ATOM 0 HB2 ALA A 42 3.888 -12.566 7.458 1.00 0.00 H new ATOM 0 HB3 ALA A 42 2.280 -12.050 6.898 1.00 0.00 H new ATOM 611 N LEU A 43 1.036 -11.782 10.614 1.00 0.00 N ATOM 612 CA LEU A 43 -0.117 -11.106 11.198 1.00 0.00 C ATOM 613 C LEU A 43 -0.089 -9.613 10.886 1.00 0.00 C ATOM 614 O LEU A 43 0.711 -8.866 11.450 1.00 0.00 O ATOM 615 CB LEU A 43 -0.148 -11.322 12.712 1.00 0.00 C ATOM 616 CG LEU A 43 -0.900 -12.561 13.198 1.00 0.00 C ATOM 617 CD1 LEU A 43 0.002 -13.785 13.153 1.00 0.00 C ATOM 618 CD2 LEU A 43 -1.434 -12.343 14.606 1.00 0.00 C ATOM 0 H LEU A 43 1.824 -11.898 11.252 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.018 -11.533 10.758 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.879 -11.381 13.072 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.598 -10.444 13.175 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.746 -12.733 12.532 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.550 -14.657 13.503 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.336 -13.953 12.129 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.868 -13.623 13.795 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.966 -13.235 14.935 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.603 -12.145 15.284 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -2.115 -11.492 14.609 1.00 0.00 H new ATOM 630 N PHE A 44 -0.969 -9.185 9.987 1.00 0.00 N ATOM 631 CA PHE A 44 -1.046 -7.780 9.602 1.00 0.00 C ATOM 632 C PHE A 44 -2.326 -7.140 10.131 1.00 0.00 C ATOM 633 O PHE A 44 -3.335 -7.816 10.328 1.00 0.00 O ATOM 634 CB PHE A 44 -0.986 -7.644 8.079 1.00 0.00 C ATOM 635 CG PHE A 44 -2.316 -7.837 7.407 1.00 0.00 C ATOM 636 CD1 PHE A 44 -2.805 -9.110 7.163 1.00 0.00 C ATOM 637 CD2 PHE A 44 -3.075 -6.745 7.019 1.00 0.00 C ATOM 638 CE1 PHE A 44 -4.028 -9.291 6.545 1.00 0.00 C ATOM 639 CE2 PHE A 44 -4.299 -6.920 6.401 1.00 0.00 C ATOM 640 CZ PHE A 44 -4.776 -8.195 6.163 1.00 0.00 C ATOM 0 H PHE A 44 -1.638 -9.790 9.512 1.00 0.00 H new ATOM 0 HA PHE A 44 -0.194 -7.261 10.041 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -0.600 -6.657 7.825 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -0.279 -8.374 7.685 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -2.224 -9.971 7.459 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -2.706 -5.746 7.201 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -4.398 -10.289 6.361 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -4.882 -6.061 6.104 1.00 0.00 H new ATOM 0 HZ PHE A 44 -5.732 -8.334 5.679 1.00 0.00 H new ATOM 650 N ASN A 45 -2.276 -5.832 10.359 1.00 0.00 N ATOM 651 CA ASN A 45 -3.430 -5.100 10.867 1.00 0.00 C ATOM 652 C ASN A 45 -3.313 -3.612 10.550 1.00 0.00 C ATOM 653 O ASN A 45 -2.269 -3.000 10.772 1.00 0.00 O ATOM 654 CB ASN A 45 -3.564 -5.302 12.378 1.00 0.00 C ATOM 655 CG ASN A 45 -3.059 -6.659 12.827 1.00 0.00 C ATOM 656 OD1 ASN A 45 -1.882 -6.981 12.664 1.00 0.00 O ATOM 657 ND2 ASN A 45 -3.950 -7.463 13.395 1.00 0.00 N ATOM 0 H ASN A 45 -1.449 -5.257 10.200 1.00 0.00 H new ATOM 0 HA ASN A 45 -4.321 -5.489 10.375 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -3.008 -4.521 12.897 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -4.610 -5.194 12.665 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -3.669 -8.389 13.717 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -4.915 -7.154 13.510 1.00 0.00 H new ATOM 664 N MET A 46 -4.393 -3.037 10.029 1.00 0.00 N ATOM 665 CA MET A 46 -4.412 -1.621 9.683 1.00 0.00 C ATOM 666 C MET A 46 -4.537 -0.757 10.934 1.00 0.00 C ATOM 667 O MET A 46 -5.246 -1.110 11.877 1.00 0.00 O ATOM 668 CB MET A 46 -5.567 -1.323 8.725 1.00 0.00 C ATOM 669 CG MET A 46 -5.568 -2.200 7.483 1.00 0.00 C ATOM 670 SD MET A 46 -4.203 -1.825 6.367 1.00 0.00 S ATOM 671 CE MET A 46 -4.435 -0.065 6.127 1.00 0.00 C ATOM 0 H MET A 46 -5.265 -3.530 9.838 1.00 0.00 H new ATOM 0 HA MET A 46 -3.470 -1.381 9.190 1.00 0.00 H new ATOM 0 HB2 MET A 46 -6.511 -1.456 9.254 1.00 0.00 H new ATOM 0 HB3 MET A 46 -5.516 -0.277 8.421 1.00 0.00 H new ATOM 0 HG2 MET A 46 -5.511 -3.247 7.782 1.00 0.00 H new ATOM 0 HG3 MET A 46 -6.512 -2.071 6.953 1.00 0.00 H new ATOM 0 HE1 MET A 46 -4.127 0.208 5.118 1.00 0.00 H new ATOM 0 HE2 MET A 46 -5.487 0.186 6.266 1.00 0.00 H new ATOM 0 HE3 MET A 46 -3.833 0.483 6.851 1.00 0.00 H new ATOM 681 N THR A 47 -3.845 0.378 10.936 1.00 0.00 N ATOM 682 CA THR A 47 -3.878 1.291 12.072 1.00 0.00 C ATOM 683 C THR A 47 -4.952 2.358 11.888 1.00 0.00 C ATOM 684 O THR A 47 -5.129 2.914 10.805 1.00 0.00 O ATOM 685 CB THR A 47 -2.516 1.980 12.279 1.00 0.00 C ATOM 686 OG1 THR A 47 -1.509 1.001 12.558 1.00 0.00 O ATOM 687 CG2 THR A 47 -2.585 2.984 13.420 1.00 0.00 C ATOM 0 H THR A 47 -3.255 0.687 10.164 1.00 0.00 H new ATOM 0 HA THR A 47 -4.111 0.692 12.952 1.00 0.00 H new ATOM 0 HB THR A 47 -2.260 2.512 11.363 1.00 0.00 H new ATOM 0 HG1 THR A 47 -1.421 0.395 11.793 1.00 0.00 H new ATOM 0 HG21 THR A 47 -1.612 3.458 13.547 1.00 0.00 H new ATOM 0 HG22 THR A 47 -3.331 3.745 13.191 1.00 0.00 H new ATOM 0 HG23 THR A 47 -2.861 2.470 14.341 1.00 0.00 H new ATOM 695 N PRO A 48 -5.686 2.652 12.972 1.00 0.00 N ATOM 696 CA PRO A 48 -6.754 3.655 12.955 1.00 0.00 C ATOM 697 C PRO A 48 -6.214 5.074 12.815 1.00 0.00 C ATOM 698 O PRO A 48 -5.461 5.564 13.656 1.00 0.00 O ATOM 699 CB PRO A 48 -7.433 3.473 14.315 1.00 0.00 C ATOM 700 CG PRO A 48 -6.378 2.889 15.190 1.00 0.00 C ATOM 701 CD PRO A 48 -5.529 2.028 14.296 1.00 0.00 C ATOM 0 HA PRO A 48 -7.425 3.521 12.107 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -7.792 4.424 14.709 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -8.297 2.812 14.241 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -5.782 3.672 15.658 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -6.820 2.300 15.994 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -4.487 2.021 14.616 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -5.869 0.992 14.295 1.00 0.00 H new ATOM 709 N PRO A 49 -6.608 5.753 11.727 1.00 0.00 N ATOM 710 CA PRO A 49 -6.176 7.127 11.451 1.00 0.00 C ATOM 711 C PRO A 49 -6.788 8.132 12.420 1.00 0.00 C ATOM 712 O PRO A 49 -7.727 7.814 13.151 1.00 0.00 O ATOM 713 CB PRO A 49 -6.681 7.379 10.029 1.00 0.00 C ATOM 714 CG PRO A 49 -7.836 6.452 9.867 1.00 0.00 C ATOM 715 CD PRO A 49 -7.505 5.232 10.682 1.00 0.00 C ATOM 0 HA PRO A 49 -5.098 7.246 11.562 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -6.985 8.417 9.895 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -5.904 7.176 9.291 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -8.760 6.915 10.215 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -7.984 6.193 8.819 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -8.400 4.779 11.109 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -7.017 4.466 10.079 1.00 0.00 H new ATOM 723 N THR A 50 -6.251 9.348 12.422 1.00 0.00 N ATOM 724 CA THR A 50 -6.744 10.401 13.301 1.00 0.00 C ATOM 725 C THR A 50 -7.093 11.658 12.513 1.00 0.00 C ATOM 726 O THR A 50 -6.986 12.772 13.025 1.00 0.00 O ATOM 727 CB THR A 50 -5.709 10.758 14.385 1.00 0.00 C ATOM 728 OG1 THR A 50 -4.425 10.967 13.786 1.00 0.00 O ATOM 729 CG2 THR A 50 -5.615 9.655 15.428 1.00 0.00 C ATOM 0 H THR A 50 -5.474 9.628 11.824 1.00 0.00 H new ATOM 0 HA THR A 50 -7.644 10.016 13.781 1.00 0.00 H new ATOM 0 HB THR A 50 -6.033 11.675 14.878 1.00 0.00 H new ATOM 0 HG1 THR A 50 -3.773 11.195 14.481 1.00 0.00 H new ATOM 0 HG21 THR A 50 -4.878 9.930 16.183 1.00 0.00 H new ATOM 0 HG22 THR A 50 -6.587 9.519 15.902 1.00 0.00 H new ATOM 0 HG23 THR A 50 -5.313 8.725 14.947 1.00 0.00 H new ATOM 737 N SER A 51 -7.511 11.471 11.265 1.00 0.00 N ATOM 738 CA SER A 51 -7.872 12.592 10.405 1.00 0.00 C ATOM 739 C SER A 51 -9.259 12.388 9.801 1.00 0.00 C ATOM 740 O SER A 51 -9.716 11.258 9.638 1.00 0.00 O ATOM 741 CB SER A 51 -6.838 12.760 9.290 1.00 0.00 C ATOM 742 OG SER A 51 -5.684 13.435 9.762 1.00 0.00 O ATOM 0 H SER A 51 -7.608 10.555 10.827 1.00 0.00 H new ATOM 0 HA SER A 51 -7.889 13.495 11.015 1.00 0.00 H new ATOM 0 HB2 SER A 51 -6.557 11.782 8.900 1.00 0.00 H new ATOM 0 HB3 SER A 51 -7.277 13.319 8.463 1.00 0.00 H new ATOM 0 HG SER A 51 -5.038 13.528 9.031 1.00 0.00 H new ATOM 748 N ALA A 52 -9.922 13.492 9.473 1.00 0.00 N ATOM 749 CA ALA A 52 -11.255 13.436 8.886 1.00 0.00 C ATOM 750 C ALA A 52 -11.275 12.537 7.655 1.00 0.00 C ATOM 751 O ALA A 52 -12.134 11.663 7.526 1.00 0.00 O ATOM 752 CB ALA A 52 -11.733 14.836 8.528 1.00 0.00 C ATOM 0 H ALA A 52 -9.558 14.436 9.604 1.00 0.00 H new ATOM 0 HA ALA A 52 -11.933 13.010 9.625 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -12.730 14.779 8.091 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -11.766 15.450 9.428 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -11.046 15.282 7.809 1.00 0.00 H new ATOM 758 N LEU A 53 -10.326 12.756 6.752 1.00 0.00 N ATOM 759 CA LEU A 53 -10.235 11.965 5.530 1.00 0.00 C ATOM 760 C LEU A 53 -9.790 10.539 5.836 1.00 0.00 C ATOM 761 O LEU A 53 -10.532 9.584 5.608 1.00 0.00 O ATOM 762 CB LEU A 53 -9.259 12.617 4.548 1.00 0.00 C ATOM 763 CG LEU A 53 -9.862 13.631 3.576 1.00 0.00 C ATOM 764 CD1 LEU A 53 -10.811 12.943 2.608 1.00 0.00 C ATOM 765 CD2 LEU A 53 -10.580 14.736 4.336 1.00 0.00 C ATOM 0 H LEU A 53 -9.608 13.475 6.843 1.00 0.00 H new ATOM 0 HA LEU A 53 -11.226 11.927 5.077 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -8.476 13.114 5.121 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -8.778 11.829 3.968 1.00 0.00 H new ATOM 0 HG LEU A 53 -9.053 14.080 3.001 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -11.231 13.681 1.924 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -10.267 12.189 2.039 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -11.617 12.466 3.166 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -11.003 15.449 3.628 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -11.380 14.304 4.937 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -9.872 15.248 4.988 1.00 0.00 H new ATOM 777 N GLY A 54 -8.574 10.402 6.355 1.00 0.00 N ATOM 778 CA GLY A 54 -8.052 9.089 6.686 1.00 0.00 C ATOM 779 C GLY A 54 -9.120 8.160 7.227 1.00 0.00 C ATOM 780 O GLY A 54 -9.252 7.024 6.772 1.00 0.00 O ATOM 0 H GLY A 54 -7.941 11.177 6.552 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -7.605 8.645 5.797 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -7.257 9.193 7.425 1.00 0.00 H new ATOM 784 N ALA A 55 -9.884 8.642 8.201 1.00 0.00 N ATOM 785 CA ALA A 55 -10.947 7.846 8.804 1.00 0.00 C ATOM 786 C ALA A 55 -11.933 7.357 7.748 1.00 0.00 C ATOM 787 O ALA A 55 -12.181 6.157 7.626 1.00 0.00 O ATOM 788 CB ALA A 55 -11.670 8.654 9.871 1.00 0.00 C ATOM 0 H ALA A 55 -9.787 9.580 8.590 1.00 0.00 H new ATOM 0 HA ALA A 55 -10.493 6.972 9.271 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -12.461 8.048 10.313 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -10.963 8.948 10.646 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -12.105 9.545 9.420 1.00 0.00 H new ATOM 794 N CYS A 56 -12.492 8.293 6.989 1.00 0.00 N ATOM 795 CA CYS A 56 -13.452 7.957 5.945 1.00 0.00 C ATOM 796 C CYS A 56 -13.073 6.649 5.258 1.00 0.00 C ATOM 797 O CYS A 56 -13.935 5.826 4.947 1.00 0.00 O ATOM 798 CB CYS A 56 -13.532 9.084 4.914 1.00 0.00 C ATOM 799 SG CYS A 56 -13.980 10.691 5.610 1.00 0.00 S ATOM 0 H CYS A 56 -12.297 9.290 7.077 1.00 0.00 H new ATOM 0 HA CYS A 56 -14.429 7.831 6.412 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -12.568 9.173 4.413 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -14.263 8.814 4.152 1.00 0.00 H new ATOM 0 HG CYS A 56 -12.947 11.210 6.204 1.00 0.00 H new ATOM 805 N PHE A 57 -11.779 6.464 5.022 1.00 0.00 N ATOM 806 CA PHE A 57 -11.285 5.257 4.369 1.00 0.00 C ATOM 807 C PHE A 57 -11.499 4.033 5.255 1.00 0.00 C ATOM 808 O PHE A 57 -11.346 4.101 6.475 1.00 0.00 O ATOM 809 CB PHE A 57 -9.800 5.404 4.034 1.00 0.00 C ATOM 810 CG PHE A 57 -9.531 6.364 2.910 1.00 0.00 C ATOM 811 CD1 PHE A 57 -9.365 7.717 3.161 1.00 0.00 C ATOM 812 CD2 PHE A 57 -9.444 5.914 1.602 1.00 0.00 C ATOM 813 CE1 PHE A 57 -9.119 8.602 2.129 1.00 0.00 C ATOM 814 CE2 PHE A 57 -9.198 6.794 0.566 1.00 0.00 C ATOM 815 CZ PHE A 57 -9.034 8.140 0.830 1.00 0.00 C ATOM 0 H PHE A 57 -11.053 7.135 5.273 1.00 0.00 H new ATOM 0 HA PHE A 57 -11.847 5.118 3.445 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -9.267 5.740 4.923 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -9.397 4.426 3.770 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -9.429 8.084 4.175 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -9.570 4.863 1.390 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -8.993 9.654 2.338 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -9.134 6.430 -0.449 1.00 0.00 H new ATOM 0 HZ PHE A 57 -8.840 8.830 0.022 1.00 0.00 H new ATOM 825 N VAL A 58 -11.855 2.914 4.632 1.00 0.00 N ATOM 826 CA VAL A 58 -12.090 1.675 5.363 1.00 0.00 C ATOM 827 C VAL A 58 -11.302 0.520 4.753 1.00 0.00 C ATOM 828 O VAL A 58 -11.676 -0.020 3.712 1.00 0.00 O ATOM 829 CB VAL A 58 -13.586 1.308 5.380 1.00 0.00 C ATOM 830 CG1 VAL A 58 -13.796 -0.051 6.029 1.00 0.00 C ATOM 831 CG2 VAL A 58 -14.389 2.381 6.099 1.00 0.00 C ATOM 0 H VAL A 58 -11.987 2.840 3.623 1.00 0.00 H new ATOM 0 HA VAL A 58 -11.753 1.842 6.386 1.00 0.00 H new ATOM 0 HB VAL A 58 -13.939 1.250 4.351 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -14.859 -0.293 6.032 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -13.253 -0.811 5.467 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -13.427 -0.025 7.054 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -15.444 2.106 6.102 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -14.035 2.473 7.126 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -14.264 3.334 5.585 1.00 0.00 H new ATOM 841 N PHE A 59 -10.209 0.146 5.410 1.00 0.00 N ATOM 842 CA PHE A 59 -9.367 -0.945 4.933 1.00 0.00 C ATOM 843 C PHE A 59 -9.780 -2.269 5.569 1.00 0.00 C ATOM 844 O PHE A 59 -10.050 -2.337 6.768 1.00 0.00 O ATOM 845 CB PHE A 59 -7.897 -0.655 5.242 1.00 0.00 C ATOM 846 CG PHE A 59 -7.300 0.413 4.370 1.00 0.00 C ATOM 847 CD1 PHE A 59 -7.726 1.728 4.474 1.00 0.00 C ATOM 848 CD2 PHE A 59 -6.314 0.103 3.449 1.00 0.00 C ATOM 849 CE1 PHE A 59 -7.180 2.712 3.672 1.00 0.00 C ATOM 850 CE2 PHE A 59 -5.763 1.083 2.645 1.00 0.00 C ATOM 851 CZ PHE A 59 -6.196 2.390 2.758 1.00 0.00 C ATOM 0 H PHE A 59 -9.886 0.582 6.274 1.00 0.00 H new ATOM 0 HA PHE A 59 -9.496 -1.025 3.854 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -7.806 -0.354 6.286 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -7.321 -1.573 5.124 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -8.493 1.986 5.189 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -5.971 -0.917 3.358 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -7.523 3.732 3.760 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -4.995 0.827 1.930 1.00 0.00 H new ATOM 0 HZ PHE A 59 -5.766 3.158 2.133 1.00 0.00 H new ATOM 861 N SER A 60 -9.828 -3.320 4.756 1.00 0.00 N ATOM 862 CA SER A 60 -10.213 -4.641 5.237 1.00 0.00 C ATOM 863 C SER A 60 -9.478 -5.735 4.466 1.00 0.00 C ATOM 864 O SER A 60 -9.021 -5.536 3.341 1.00 0.00 O ATOM 865 CB SER A 60 -11.724 -4.836 5.103 1.00 0.00 C ATOM 866 OG SER A 60 -12.414 -4.221 6.177 1.00 0.00 O ATOM 0 H SER A 60 -9.605 -3.282 3.761 1.00 0.00 H new ATOM 0 HA SER A 60 -9.937 -4.712 6.289 1.00 0.00 H new ATOM 0 HB2 SER A 60 -12.066 -4.414 4.158 1.00 0.00 H new ATOM 0 HB3 SER A 60 -11.956 -5.901 5.080 1.00 0.00 H new ATOM 0 HG SER A 60 -11.814 -3.598 6.637 1.00 0.00 H new ATOM 872 N PRO A 61 -9.362 -6.918 5.087 1.00 0.00 N ATOM 873 CA PRO A 61 -9.902 -7.166 6.427 1.00 0.00 C ATOM 874 C PRO A 61 -9.136 -6.412 7.509 1.00 0.00 C ATOM 875 O PRO A 61 -7.905 -6.382 7.506 1.00 0.00 O ATOM 876 CB PRO A 61 -9.731 -8.676 6.605 1.00 0.00 C ATOM 877 CG PRO A 61 -8.601 -9.038 5.704 1.00 0.00 C ATOM 878 CD PRO A 61 -8.693 -8.105 4.528 1.00 0.00 C ATOM 0 HA PRO A 61 -10.934 -6.826 6.520 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -9.508 -8.930 7.641 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -10.641 -9.212 6.334 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -7.644 -8.929 6.215 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -8.675 -10.077 5.384 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -7.708 -7.861 4.130 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -9.267 -8.543 3.711 1.00 0.00 H new ATOM 886 N LYS A 62 -9.871 -5.805 8.434 1.00 0.00 N ATOM 887 CA LYS A 62 -9.262 -5.052 9.524 1.00 0.00 C ATOM 888 C LYS A 62 -7.991 -5.738 10.015 1.00 0.00 C ATOM 889 O LYS A 62 -7.077 -5.085 10.517 1.00 0.00 O ATOM 890 CB LYS A 62 -10.251 -4.900 10.682 1.00 0.00 C ATOM 891 CG LYS A 62 -10.801 -6.221 11.190 1.00 0.00 C ATOM 892 CD LYS A 62 -12.149 -6.041 11.868 1.00 0.00 C ATOM 893 CE LYS A 62 -12.662 -7.351 12.446 1.00 0.00 C ATOM 894 NZ LYS A 62 -12.131 -7.600 13.814 1.00 0.00 N ATOM 0 H LYS A 62 -10.891 -5.820 8.451 1.00 0.00 H new ATOM 0 HA LYS A 62 -8.999 -4.064 9.147 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -9.758 -4.381 11.504 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -11.081 -4.271 10.360 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -10.902 -6.918 10.358 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -10.095 -6.663 11.893 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -12.061 -5.301 12.663 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -12.870 -5.652 11.149 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -13.751 -7.332 12.477 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -12.376 -8.174 11.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -12.504 -8.502 14.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -11.092 -7.644 13.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -12.425 -6.828 14.446 1.00 0.00 H new ATOM 908 N GLU A 63 -7.941 -7.058 9.866 1.00 0.00 N ATOM 909 CA GLU A 63 -6.781 -7.831 10.294 1.00 0.00 C ATOM 910 C GLU A 63 -6.902 -9.286 9.849 1.00 0.00 C ATOM 911 O GLU A 63 -7.992 -9.856 9.843 1.00 0.00 O ATOM 912 CB GLU A 63 -6.627 -7.763 11.815 1.00 0.00 C ATOM 913 CG GLU A 63 -7.694 -8.537 12.570 1.00 0.00 C ATOM 914 CD GLU A 63 -7.449 -8.561 14.066 1.00 0.00 C ATOM 915 OE1 GLU A 63 -6.289 -8.355 14.481 1.00 0.00 O ATOM 916 OE2 GLU A 63 -8.417 -8.786 14.822 1.00 0.00 O ATOM 0 H GLU A 63 -8.690 -7.614 9.453 1.00 0.00 H new ATOM 0 HA GLU A 63 -5.896 -7.398 9.827 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -5.646 -8.150 12.090 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -6.657 -6.719 12.128 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -8.669 -8.091 12.372 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -7.729 -9.560 12.195 1.00 0.00 H new ATOM 923 N GLY A 64 -5.773 -9.882 9.477 1.00 0.00 N ATOM 924 CA GLY A 64 -5.774 -11.264 9.035 1.00 0.00 C ATOM 925 C GLY A 64 -4.380 -11.857 8.985 1.00 0.00 C ATOM 926 O GLY A 64 -3.469 -11.378 9.662 1.00 0.00 O ATOM 0 H GLY A 64 -4.858 -9.432 9.474 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -6.394 -11.857 9.707 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -6.228 -11.326 8.046 1.00 0.00 H new ATOM 930 N ILE A 65 -4.213 -12.904 8.184 1.00 0.00 N ATOM 931 CA ILE A 65 -2.920 -13.564 8.049 1.00 0.00 C ATOM 932 C ILE A 65 -2.602 -13.857 6.587 1.00 0.00 C ATOM 933 O ILE A 65 -3.451 -14.352 5.844 1.00 0.00 O ATOM 934 CB ILE A 65 -2.874 -14.880 8.848 1.00 0.00 C ATOM 935 CG1 ILE A 65 -3.072 -14.604 10.339 1.00 0.00 C ATOM 936 CG2 ILE A 65 -1.555 -15.599 8.607 1.00 0.00 C ATOM 937 CD1 ILE A 65 -3.182 -15.860 11.176 1.00 0.00 C ATOM 0 H ILE A 65 -4.957 -13.314 7.619 1.00 0.00 H new ATOM 0 HA ILE A 65 -2.173 -12.879 8.450 1.00 0.00 H new ATOM 0 HB ILE A 65 -3.684 -15.524 8.507 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -2.237 -14.006 10.704 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -3.974 -14.007 10.473 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -1.537 -16.527 9.178 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -1.452 -15.824 7.545 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -0.730 -14.962 8.925 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -3.321 -15.589 12.223 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.034 -16.449 10.838 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -2.270 -16.448 11.072 1.00 0.00 H new ATOM 949 N ILE A 66 -1.374 -13.552 6.181 1.00 0.00 N ATOM 950 CA ILE A 66 -0.944 -13.786 4.809 1.00 0.00 C ATOM 951 C ILE A 66 0.104 -14.892 4.742 1.00 0.00 C ATOM 952 O ILE A 66 1.236 -14.715 5.192 1.00 0.00 O ATOM 953 CB ILE A 66 -0.365 -12.507 4.174 1.00 0.00 C ATOM 954 CG1 ILE A 66 -1.264 -11.308 4.481 1.00 0.00 C ATOM 955 CG2 ILE A 66 -0.206 -12.687 2.672 1.00 0.00 C ATOM 956 CD1 ILE A 66 -0.619 -9.975 4.174 1.00 0.00 C ATOM 0 H ILE A 66 -0.660 -13.142 6.783 1.00 0.00 H new ATOM 0 HA ILE A 66 -1.828 -14.092 4.250 1.00 0.00 H new ATOM 0 HB ILE A 66 0.619 -12.318 4.603 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -2.185 -11.398 3.905 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.543 -11.334 5.534 1.00 0.00 H new ATOM 0 HG21 ILE A 66 0.204 -11.775 2.238 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.470 -13.519 2.475 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -1.178 -12.896 2.226 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -1.313 -9.170 4.416 1.00 0.00 H new ATOM 0 HD12 ILE A 66 0.287 -9.864 4.769 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -0.365 -9.929 3.115 1.00 0.00 H new ATOM 968 N GLU A 67 -0.281 -16.031 4.176 1.00 0.00 N ATOM 969 CA GLU A 67 0.626 -17.166 4.050 1.00 0.00 C ATOM 970 C GLU A 67 1.960 -16.732 3.450 1.00 0.00 C ATOM 971 O GLU A 67 2.043 -15.764 2.693 1.00 0.00 O ATOM 972 CB GLU A 67 -0.005 -18.258 3.184 1.00 0.00 C ATOM 973 CG GLU A 67 -0.317 -17.806 1.767 1.00 0.00 C ATOM 974 CD GLU A 67 -1.311 -18.715 1.070 1.00 0.00 C ATOM 975 OE1 GLU A 67 -2.485 -18.746 1.495 1.00 0.00 O ATOM 976 OE2 GLU A 67 -0.915 -19.394 0.100 1.00 0.00 O ATOM 0 H GLU A 67 -1.214 -16.193 3.798 1.00 0.00 H new ATOM 0 HA GLU A 67 0.809 -17.565 5.048 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.670 -19.113 3.143 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.925 -18.600 3.658 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -0.714 -16.791 1.793 1.00 0.00 H new ATOM 0 HG3 GLU A 67 0.606 -17.772 1.189 1.00 0.00 H new ATOM 983 N PRO A 68 3.030 -17.464 3.794 1.00 0.00 N ATOM 984 CA PRO A 68 4.379 -17.174 3.301 1.00 0.00 C ATOM 985 C PRO A 68 4.530 -17.475 1.814 1.00 0.00 C ATOM 986 O PRO A 68 4.002 -18.469 1.315 1.00 0.00 O ATOM 987 CB PRO A 68 5.267 -18.107 4.128 1.00 0.00 C ATOM 988 CG PRO A 68 4.372 -19.231 4.521 1.00 0.00 C ATOM 989 CD PRO A 68 3.004 -18.631 4.691 1.00 0.00 C ATOM 0 HA PRO A 68 4.633 -16.119 3.404 1.00 0.00 H new ATOM 0 HB2 PRO A 68 6.117 -18.463 3.546 1.00 0.00 H new ATOM 0 HB3 PRO A 68 5.670 -17.597 5.003 1.00 0.00 H new ATOM 0 HG2 PRO A 68 4.365 -20.009 3.758 1.00 0.00 H new ATOM 0 HG3 PRO A 68 4.712 -19.695 5.447 1.00 0.00 H new ATOM 0 HD2 PRO A 68 2.219 -19.334 4.413 1.00 0.00 H new ATOM 0 HD3 PRO A 68 2.819 -18.339 5.725 1.00 0.00 H new ATOM 997 N SER A 69 5.254 -16.610 1.110 1.00 0.00 N ATOM 998 CA SER A 69 5.471 -16.782 -0.322 1.00 0.00 C ATOM 999 C SER A 69 4.156 -16.670 -1.088 1.00 0.00 C ATOM 1000 O SER A 69 3.915 -17.409 -2.042 1.00 0.00 O ATOM 1001 CB SER A 69 6.123 -18.138 -0.601 1.00 0.00 C ATOM 1002 OG SER A 69 7.161 -18.405 0.325 1.00 0.00 O ATOM 0 H SER A 69 5.700 -15.783 1.508 1.00 0.00 H new ATOM 0 HA SER A 69 6.138 -15.989 -0.661 1.00 0.00 H new ATOM 0 HB2 SER A 69 5.371 -18.925 -0.546 1.00 0.00 H new ATOM 0 HB3 SER A 69 6.524 -18.151 -1.615 1.00 0.00 H new ATOM 0 HG SER A 69 7.560 -19.278 0.126 1.00 0.00 H new ATOM 1008 N GLY A 70 3.308 -15.738 -0.663 1.00 0.00 N ATOM 1009 CA GLY A 70 2.029 -15.545 -1.319 1.00 0.00 C ATOM 1010 C GLY A 70 1.583 -14.096 -1.306 1.00 0.00 C ATOM 1011 O GLY A 70 2.393 -13.192 -1.098 1.00 0.00 O ATOM 0 H GLY A 70 3.485 -15.114 0.124 1.00 0.00 H new ATOM 0 HA2 GLY A 70 2.097 -15.892 -2.350 1.00 0.00 H new ATOM 0 HA3 GLY A 70 1.275 -16.158 -0.826 1.00 0.00 H new ATOM 1015 N VAL A 71 0.292 -13.873 -1.529 1.00 0.00 N ATOM 1016 CA VAL A 71 -0.260 -12.524 -1.543 1.00 0.00 C ATOM 1017 C VAL A 71 -1.608 -12.474 -0.832 1.00 0.00 C ATOM 1018 O VAL A 71 -2.197 -13.510 -0.526 1.00 0.00 O ATOM 1019 CB VAL A 71 -0.431 -12.002 -2.982 1.00 0.00 C ATOM 1020 CG1 VAL A 71 0.924 -11.805 -3.643 1.00 0.00 C ATOM 1021 CG2 VAL A 71 -1.297 -12.953 -3.793 1.00 0.00 C ATOM 0 H VAL A 71 -0.392 -14.610 -1.703 1.00 0.00 H new ATOM 0 HA VAL A 71 0.449 -11.887 -1.015 1.00 0.00 H new ATOM 0 HB VAL A 71 -0.932 -11.035 -2.943 1.00 0.00 H new ATOM 0 HG11 VAL A 71 0.783 -11.436 -4.659 1.00 0.00 H new ATOM 0 HG12 VAL A 71 1.506 -11.082 -3.072 1.00 0.00 H new ATOM 0 HG13 VAL A 71 1.456 -12.756 -3.673 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -1.408 -12.569 -4.807 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -0.826 -13.935 -3.826 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -2.279 -13.037 -3.328 1.00 0.00 H new ATOM 1031 N GLN A 72 -2.090 -11.263 -0.573 1.00 0.00 N ATOM 1032 CA GLN A 72 -3.369 -11.078 0.102 1.00 0.00 C ATOM 1033 C GLN A 72 -4.074 -9.822 -0.400 1.00 0.00 C ATOM 1034 O GLN A 72 -3.529 -8.722 -0.325 1.00 0.00 O ATOM 1035 CB GLN A 72 -3.163 -10.992 1.615 1.00 0.00 C ATOM 1036 CG GLN A 72 -4.386 -10.494 2.368 1.00 0.00 C ATOM 1037 CD GLN A 72 -5.611 -11.353 2.125 1.00 0.00 C ATOM 1038 OE1 GLN A 72 -5.500 -12.531 1.783 1.00 0.00 O ATOM 1039 NE2 GLN A 72 -6.790 -10.767 2.300 1.00 0.00 N ATOM 0 H GLN A 72 -1.614 -10.395 -0.820 1.00 0.00 H new ATOM 0 HA GLN A 72 -3.998 -11.939 -0.124 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -2.890 -11.977 1.993 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -2.324 -10.328 1.822 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -4.167 -10.474 3.436 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -4.601 -9.469 2.067 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -6.836 -9.788 2.584 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -7.649 -11.296 2.151 1.00 0.00 H new ATOM 1048 N ALA A 73 -5.288 -9.995 -0.911 1.00 0.00 N ATOM 1049 CA ALA A 73 -6.068 -8.875 -1.424 1.00 0.00 C ATOM 1050 C ALA A 73 -6.583 -7.999 -0.287 1.00 0.00 C ATOM 1051 O ALA A 73 -6.937 -8.498 0.782 1.00 0.00 O ATOM 1052 CB ALA A 73 -7.227 -9.382 -2.269 1.00 0.00 C ATOM 0 H ALA A 73 -5.753 -10.900 -0.981 1.00 0.00 H new ATOM 0 HA ALA A 73 -5.416 -8.266 -2.050 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -7.801 -8.535 -2.645 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -6.840 -9.960 -3.108 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -7.872 -10.015 -1.660 1.00 0.00 H new ATOM 1058 N ILE A 74 -6.622 -6.693 -0.525 1.00 0.00 N ATOM 1059 CA ILE A 74 -7.095 -5.748 0.480 1.00 0.00 C ATOM 1060 C ILE A 74 -8.186 -4.845 -0.085 1.00 0.00 C ATOM 1061 O ILE A 74 -7.968 -4.127 -1.060 1.00 0.00 O ATOM 1062 CB ILE A 74 -5.946 -4.873 1.014 1.00 0.00 C ATOM 1063 CG1 ILE A 74 -4.823 -5.751 1.571 1.00 0.00 C ATOM 1064 CG2 ILE A 74 -6.459 -3.919 2.083 1.00 0.00 C ATOM 1065 CD1 ILE A 74 -5.041 -6.171 3.008 1.00 0.00 C ATOM 0 H ILE A 74 -6.332 -6.265 -1.404 1.00 0.00 H new ATOM 0 HA ILE A 74 -7.504 -6.338 1.300 1.00 0.00 H new ATOM 0 HB ILE A 74 -5.546 -4.283 0.190 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -4.728 -6.642 0.951 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -3.880 -5.210 1.498 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -5.635 -3.307 2.451 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -7.228 -3.274 1.657 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -6.882 -4.491 2.908 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -4.207 -6.791 3.337 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -5.106 -5.285 3.640 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -5.968 -6.740 3.084 1.00 0.00 H new ATOM 1077 N GLN A 75 -9.361 -4.887 0.536 1.00 0.00 N ATOM 1078 CA GLN A 75 -10.486 -4.071 0.095 1.00 0.00 C ATOM 1079 C GLN A 75 -10.429 -2.681 0.719 1.00 0.00 C ATOM 1080 O GLN A 75 -10.333 -2.541 1.939 1.00 0.00 O ATOM 1081 CB GLN A 75 -11.808 -4.751 0.457 1.00 0.00 C ATOM 1082 CG GLN A 75 -12.112 -5.978 -0.387 1.00 0.00 C ATOM 1083 CD GLN A 75 -12.257 -5.653 -1.860 1.00 0.00 C ATOM 1084 OE1 GLN A 75 -12.836 -4.630 -2.228 1.00 0.00 O ATOM 1085 NE2 GLN A 75 -11.732 -6.523 -2.714 1.00 0.00 N ATOM 0 H GLN A 75 -9.558 -5.477 1.345 1.00 0.00 H new ATOM 0 HA GLN A 75 -10.423 -3.965 -0.988 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -11.782 -5.040 1.508 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -12.620 -4.032 0.344 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -11.315 -6.710 -0.257 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -13.031 -6.441 -0.029 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -11.261 -7.358 -2.366 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -11.800 -6.356 -3.718 1.00 0.00 H new ATOM 1094 N ILE A 76 -10.486 -1.656 -0.125 1.00 0.00 N ATOM 1095 CA ILE A 76 -10.441 -0.277 0.345 1.00 0.00 C ATOM 1096 C ILE A 76 -11.670 0.501 -0.114 1.00 0.00 C ATOM 1097 O ILE A 76 -11.942 0.602 -1.310 1.00 0.00 O ATOM 1098 CB ILE A 76 -9.175 0.446 -0.151 1.00 0.00 C ATOM 1099 CG1 ILE A 76 -7.921 -0.267 0.359 1.00 0.00 C ATOM 1100 CG2 ILE A 76 -9.185 1.899 0.297 1.00 0.00 C ATOM 1101 CD1 ILE A 76 -6.635 0.291 -0.208 1.00 0.00 C ATOM 0 H ILE A 76 -10.563 -1.755 -1.137 1.00 0.00 H new ATOM 0 HA ILE A 76 -10.424 -0.316 1.434 1.00 0.00 H new ATOM 0 HB ILE A 76 -9.165 0.423 -1.241 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -7.890 -0.196 1.446 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -7.989 -1.326 0.110 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -8.284 2.396 -0.061 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -10.063 2.400 -0.112 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -9.216 1.944 1.386 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -5.788 -0.263 0.197 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -6.645 0.196 -1.294 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -6.544 1.343 0.063 1.00 0.00 H new ATOM 1113 N SER A 77 -12.408 1.050 0.845 1.00 0.00 N ATOM 1114 CA SER A 77 -13.610 1.818 0.539 1.00 0.00 C ATOM 1115 C SER A 77 -13.481 3.252 1.043 1.00 0.00 C ATOM 1116 O SER A 77 -13.136 3.487 2.201 1.00 0.00 O ATOM 1117 CB SER A 77 -14.838 1.154 1.165 1.00 0.00 C ATOM 1118 OG SER A 77 -15.375 0.163 0.307 1.00 0.00 O ATOM 0 H SER A 77 -12.195 0.978 1.840 1.00 0.00 H new ATOM 0 HA SER A 77 -13.731 1.841 -0.544 1.00 0.00 H new ATOM 0 HB2 SER A 77 -14.565 0.704 2.119 1.00 0.00 H new ATOM 0 HB3 SER A 77 -15.596 1.908 1.374 1.00 0.00 H new ATOM 0 HG SER A 77 -16.158 -0.247 0.731 1.00 0.00 H new ATOM 1124 N PHE A 78 -13.760 4.209 0.164 1.00 0.00 N ATOM 1125 CA PHE A 78 -13.675 5.621 0.518 1.00 0.00 C ATOM 1126 C PHE A 78 -14.901 6.381 0.021 1.00 0.00 C ATOM 1127 O PHE A 78 -15.456 6.066 -1.032 1.00 0.00 O ATOM 1128 CB PHE A 78 -12.405 6.240 -0.070 1.00 0.00 C ATOM 1129 CG PHE A 78 -12.313 7.725 0.133 1.00 0.00 C ATOM 1130 CD1 PHE A 78 -12.112 8.254 1.398 1.00 0.00 C ATOM 1131 CD2 PHE A 78 -12.427 8.593 -0.942 1.00 0.00 C ATOM 1132 CE1 PHE A 78 -12.027 9.620 1.588 1.00 0.00 C ATOM 1133 CE2 PHE A 78 -12.342 9.960 -0.758 1.00 0.00 C ATOM 1134 CZ PHE A 78 -12.143 10.474 0.509 1.00 0.00 C ATOM 0 H PHE A 78 -14.047 4.032 -0.799 1.00 0.00 H new ATOM 0 HA PHE A 78 -13.639 5.696 1.605 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -11.535 5.765 0.383 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -12.366 6.024 -1.138 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -12.021 7.591 2.245 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -12.584 8.196 -1.934 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -11.870 10.019 2.579 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -12.431 10.626 -1.604 1.00 0.00 H new ATOM 0 HZ PHE A 78 -12.078 11.542 0.655 1.00 0.00 H new ATOM 1144 N SER A 79 -15.319 7.383 0.788 1.00 0.00 N ATOM 1145 CA SER A 79 -16.482 8.186 0.429 1.00 0.00 C ATOM 1146 C SER A 79 -16.618 9.391 1.355 1.00 0.00 C ATOM 1147 O SER A 79 -16.844 9.242 2.556 1.00 0.00 O ATOM 1148 CB SER A 79 -17.753 7.337 0.489 1.00 0.00 C ATOM 1149 OG SER A 79 -18.077 6.998 1.827 1.00 0.00 O ATOM 0 H SER A 79 -14.870 7.658 1.662 1.00 0.00 H new ATOM 0 HA SER A 79 -16.342 8.547 -0.590 1.00 0.00 H new ATOM 0 HB2 SER A 79 -18.581 7.884 0.038 1.00 0.00 H new ATOM 0 HB3 SER A 79 -17.615 6.428 -0.097 1.00 0.00 H new ATOM 0 HG SER A 79 -17.665 7.644 2.437 1.00 0.00 H new ATOM 1155 N SER A 80 -16.477 10.585 0.788 1.00 0.00 N ATOM 1156 CA SER A 80 -16.580 11.816 1.563 1.00 0.00 C ATOM 1157 C SER A 80 -17.187 12.937 0.724 1.00 0.00 C ATOM 1158 O SER A 80 -17.556 12.731 -0.433 1.00 0.00 O ATOM 1159 CB SER A 80 -15.201 12.237 2.076 1.00 0.00 C ATOM 1160 OG SER A 80 -15.313 13.031 3.244 1.00 0.00 O ATOM 0 H SER A 80 -16.291 10.726 -0.205 1.00 0.00 H new ATOM 0 HA SER A 80 -17.235 11.627 2.414 1.00 0.00 H new ATOM 0 HB2 SER A 80 -14.603 11.351 2.290 1.00 0.00 H new ATOM 0 HB3 SER A 80 -14.676 12.796 1.301 1.00 0.00 H new ATOM 0 HG SER A 80 -14.967 12.532 4.013 1.00 0.00 H new ATOM 1166 N ILE A 81 -17.287 14.122 1.316 1.00 0.00 N ATOM 1167 CA ILE A 81 -17.848 15.276 0.624 1.00 0.00 C ATOM 1168 C ILE A 81 -16.931 16.488 0.745 1.00 0.00 C ATOM 1169 O ILE A 81 -17.252 17.573 0.257 1.00 0.00 O ATOM 1170 CB ILE A 81 -19.239 15.641 1.174 1.00 0.00 C ATOM 1171 CG1 ILE A 81 -19.161 15.916 2.677 1.00 0.00 C ATOM 1172 CG2 ILE A 81 -20.232 14.525 0.886 1.00 0.00 C ATOM 1173 CD1 ILE A 81 -20.309 16.751 3.199 1.00 0.00 C ATOM 0 H ILE A 81 -16.987 14.308 2.273 1.00 0.00 H new ATOM 0 HA ILE A 81 -17.943 14.999 -0.426 1.00 0.00 H new ATOM 0 HB ILE A 81 -19.584 16.546 0.675 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -19.141 14.966 3.211 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -18.223 16.425 2.897 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -21.211 14.798 1.281 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -20.305 14.372 -0.191 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -19.893 13.605 1.361 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -20.188 16.906 4.271 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -20.317 17.716 2.692 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -21.250 16.234 3.011 1.00 0.00 H new ATOM 1185 N ILE A 82 -15.789 16.297 1.396 1.00 0.00 N ATOM 1186 CA ILE A 82 -14.825 17.375 1.579 1.00 0.00 C ATOM 1187 C ILE A 82 -13.997 17.591 0.316 1.00 0.00 C ATOM 1188 O ILE A 82 -12.973 16.938 0.112 1.00 0.00 O ATOM 1189 CB ILE A 82 -13.876 17.088 2.758 1.00 0.00 C ATOM 1190 CG1 ILE A 82 -14.675 16.900 4.049 1.00 0.00 C ATOM 1191 CG2 ILE A 82 -12.867 18.216 2.912 1.00 0.00 C ATOM 1192 CD1 ILE A 82 -14.009 15.973 5.042 1.00 0.00 C ATOM 0 H ILE A 82 -15.508 15.406 1.806 1.00 0.00 H new ATOM 0 HA ILE A 82 -15.397 18.277 1.795 1.00 0.00 H new ATOM 0 HB ILE A 82 -13.332 16.166 2.552 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -14.827 17.872 4.517 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -15.661 16.507 3.802 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -12.203 17.999 3.749 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -12.280 18.307 1.998 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -13.393 19.152 3.100 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -14.631 15.887 5.933 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -13.881 14.989 4.592 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -13.034 16.375 5.318 1.00 0.00 H new ATOM 1204 N LEU A 83 -14.446 18.514 -0.528 1.00 0.00 N ATOM 1205 CA LEU A 83 -13.746 18.819 -1.771 1.00 0.00 C ATOM 1206 C LEU A 83 -12.336 19.328 -1.491 1.00 0.00 C ATOM 1207 O LEU A 83 -12.031 19.764 -0.381 1.00 0.00 O ATOM 1208 CB LEU A 83 -14.526 19.861 -2.575 1.00 0.00 C ATOM 1209 CG LEU A 83 -16.022 19.593 -2.748 1.00 0.00 C ATOM 1210 CD1 LEU A 83 -16.659 20.667 -3.616 1.00 0.00 C ATOM 1211 CD2 LEU A 83 -16.251 18.214 -3.349 1.00 0.00 C ATOM 0 H LEU A 83 -15.291 19.064 -0.374 1.00 0.00 H new ATOM 0 HA LEU A 83 -13.672 17.900 -2.353 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -14.404 20.830 -2.091 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -14.075 19.940 -3.564 1.00 0.00 H new ATOM 0 HG LEU A 83 -16.493 19.622 -1.765 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -17.723 20.460 -3.728 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -16.526 21.641 -3.145 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -16.185 20.670 -4.597 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -17.321 18.041 -3.465 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -15.767 18.157 -4.324 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -15.830 17.455 -2.690 1.00 0.00 H new ATOM 1223 N GLY A 84 -11.479 19.271 -2.506 1.00 0.00 N ATOM 1224 CA GLY A 84 -10.112 19.731 -2.349 1.00 0.00 C ATOM 1225 C GLY A 84 -9.122 18.587 -2.260 1.00 0.00 C ATOM 1226 O GLY A 84 -9.498 17.452 -1.970 1.00 0.00 O ATOM 0 H GLY A 84 -11.707 18.914 -3.434 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -9.848 20.371 -3.191 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -10.039 20.342 -1.449 1.00 0.00 H new ATOM 1230 N ASN A 85 -7.851 18.885 -2.513 1.00 0.00 N ATOM 1231 CA ASN A 85 -6.804 17.871 -2.462 1.00 0.00 C ATOM 1232 C ASN A 85 -6.636 17.333 -1.045 1.00 0.00 C ATOM 1233 O ASN A 85 -6.946 18.017 -0.069 1.00 0.00 O ATOM 1234 CB ASN A 85 -5.479 18.452 -2.960 1.00 0.00 C ATOM 1235 CG ASN A 85 -4.277 17.773 -2.331 1.00 0.00 C ATOM 1236 OD1 ASN A 85 -3.819 16.734 -2.805 1.00 0.00 O ATOM 1237 ND2 ASN A 85 -3.762 18.360 -1.257 1.00 0.00 N ATOM 0 H ASN A 85 -7.522 19.820 -2.755 1.00 0.00 H new ATOM 0 HA ASN A 85 -7.099 17.047 -3.111 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -5.425 18.349 -4.044 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -5.447 19.519 -2.739 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -2.953 17.950 -0.790 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -4.175 19.221 -0.899 1.00 0.00 H new ATOM 1244 N PHE A 86 -6.142 16.104 -0.939 1.00 0.00 N ATOM 1245 CA PHE A 86 -5.932 15.473 0.359 1.00 0.00 C ATOM 1246 C PHE A 86 -4.879 14.373 0.266 1.00 0.00 C ATOM 1247 O PHE A 86 -4.927 13.528 -0.627 1.00 0.00 O ATOM 1248 CB PHE A 86 -7.246 14.893 0.886 1.00 0.00 C ATOM 1249 CG PHE A 86 -7.652 13.616 0.208 1.00 0.00 C ATOM 1250 CD1 PHE A 86 -7.012 12.424 0.506 1.00 0.00 C ATOM 1251 CD2 PHE A 86 -8.675 13.608 -0.726 1.00 0.00 C ATOM 1252 CE1 PHE A 86 -7.383 11.248 -0.117 1.00 0.00 C ATOM 1253 CE2 PHE A 86 -9.051 12.434 -1.353 1.00 0.00 C ATOM 1254 CZ PHE A 86 -8.405 11.253 -1.047 1.00 0.00 C ATOM 0 H PHE A 86 -5.879 15.525 -1.737 1.00 0.00 H new ATOM 0 HA PHE A 86 -5.575 16.235 1.052 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -7.151 14.712 1.957 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -8.037 15.631 0.757 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -6.214 12.414 1.234 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -9.185 14.529 -0.967 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -6.875 10.326 0.123 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -9.849 12.441 -2.081 1.00 0.00 H new ATOM 0 HZ PHE A 86 -8.698 10.334 -1.534 1.00 0.00 H new ATOM 1264 N GLU A 87 -3.927 14.393 1.194 1.00 0.00 N ATOM 1265 CA GLU A 87 -2.861 13.398 1.215 1.00 0.00 C ATOM 1266 C GLU A 87 -2.746 12.753 2.594 1.00 0.00 C ATOM 1267 O GLU A 87 -2.386 13.412 3.569 1.00 0.00 O ATOM 1268 CB GLU A 87 -1.528 14.039 0.827 1.00 0.00 C ATOM 1269 CG GLU A 87 -0.448 13.030 0.473 1.00 0.00 C ATOM 1270 CD GLU A 87 0.818 13.687 -0.043 1.00 0.00 C ATOM 1271 OE1 GLU A 87 0.860 14.031 -1.243 1.00 0.00 O ATOM 1272 OE2 GLU A 87 1.765 13.857 0.752 1.00 0.00 O ATOM 0 H GLU A 87 -3.872 15.086 1.940 1.00 0.00 H new ATOM 0 HA GLU A 87 -3.108 12.623 0.490 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -1.687 14.702 -0.024 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -1.178 14.658 1.653 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -0.210 12.434 1.354 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -0.831 12.344 -0.283 1.00 0.00 H new ATOM 1279 N GLU A 88 -3.055 11.462 2.665 1.00 0.00 N ATOM 1280 CA GLU A 88 -2.987 10.730 3.924 1.00 0.00 C ATOM 1281 C GLU A 88 -2.046 9.534 3.807 1.00 0.00 C ATOM 1282 O GLU A 88 -1.699 9.109 2.706 1.00 0.00 O ATOM 1283 CB GLU A 88 -4.382 10.256 4.339 1.00 0.00 C ATOM 1284 CG GLU A 88 -5.413 11.371 4.389 1.00 0.00 C ATOM 1285 CD GLU A 88 -4.992 12.516 5.288 1.00 0.00 C ATOM 1286 OE1 GLU A 88 -4.941 12.315 6.520 1.00 0.00 O ATOM 1287 OE2 GLU A 88 -4.714 13.614 4.761 1.00 0.00 O ATOM 0 H GLU A 88 -3.354 10.902 1.867 1.00 0.00 H new ATOM 0 HA GLU A 88 -2.598 11.404 4.687 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -4.720 9.491 3.640 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -4.320 9.786 5.320 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -5.582 11.749 3.381 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -6.362 10.967 4.742 1.00 0.00 H new ATOM 1294 N GLU A 89 -1.636 8.997 4.953 1.00 0.00 N ATOM 1295 CA GLU A 89 -0.734 7.852 4.979 1.00 0.00 C ATOM 1296 C GLU A 89 -1.175 6.836 6.029 1.00 0.00 C ATOM 1297 O GLU A 89 -1.190 7.129 7.225 1.00 0.00 O ATOM 1298 CB GLU A 89 0.698 8.309 5.266 1.00 0.00 C ATOM 1299 CG GLU A 89 1.353 9.027 4.098 1.00 0.00 C ATOM 1300 CD GLU A 89 2.635 9.734 4.492 1.00 0.00 C ATOM 1301 OE1 GLU A 89 2.554 10.893 4.952 1.00 0.00 O ATOM 1302 OE2 GLU A 89 3.717 9.131 4.341 1.00 0.00 O ATOM 0 H GLU A 89 -1.914 9.337 5.874 1.00 0.00 H new ATOM 0 HA GLU A 89 -0.766 7.374 4.000 1.00 0.00 H new ATOM 0 HB2 GLU A 89 0.693 8.971 6.132 1.00 0.00 H new ATOM 0 HB3 GLU A 89 1.301 7.441 5.532 1.00 0.00 H new ATOM 0 HG2 GLU A 89 1.568 8.307 3.308 1.00 0.00 H new ATOM 0 HG3 GLU A 89 0.654 9.754 3.685 1.00 0.00 H new ATOM 1309 N PHE A 90 -1.535 5.641 5.573 1.00 0.00 N ATOM 1310 CA PHE A 90 -1.978 4.581 6.471 1.00 0.00 C ATOM 1311 C PHE A 90 -0.823 3.647 6.821 1.00 0.00 C ATOM 1312 O PHE A 90 0.091 3.444 6.021 1.00 0.00 O ATOM 1313 CB PHE A 90 -3.117 3.785 5.832 1.00 0.00 C ATOM 1314 CG PHE A 90 -4.217 4.648 5.283 1.00 0.00 C ATOM 1315 CD1 PHE A 90 -4.136 5.162 3.999 1.00 0.00 C ATOM 1316 CD2 PHE A 90 -5.331 4.946 6.051 1.00 0.00 C ATOM 1317 CE1 PHE A 90 -5.147 5.957 3.490 1.00 0.00 C ATOM 1318 CE2 PHE A 90 -6.345 5.739 5.547 1.00 0.00 C ATOM 1319 CZ PHE A 90 -6.252 6.246 4.266 1.00 0.00 C ATOM 0 H PHE A 90 -1.529 5.382 4.586 1.00 0.00 H new ATOM 0 HA PHE A 90 -2.339 5.044 7.389 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -2.713 3.170 5.028 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -3.535 3.105 6.574 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -3.273 4.939 3.388 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -5.408 4.554 7.055 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -5.072 6.351 2.487 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -7.209 5.962 6.155 1.00 0.00 H new ATOM 0 HZ PHE A 90 -7.042 6.868 3.872 1.00 0.00 H new ATOM 1329 N LEU A 91 -0.872 3.081 8.022 1.00 0.00 N ATOM 1330 CA LEU A 91 0.169 2.167 8.480 1.00 0.00 C ATOM 1331 C LEU A 91 -0.405 0.782 8.759 1.00 0.00 C ATOM 1332 O LEU A 91 -1.604 0.632 8.994 1.00 0.00 O ATOM 1333 CB LEU A 91 0.840 2.718 9.740 1.00 0.00 C ATOM 1334 CG LEU A 91 1.663 3.994 9.559 1.00 0.00 C ATOM 1335 CD1 LEU A 91 2.337 4.383 10.865 1.00 0.00 C ATOM 1336 CD2 LEU A 91 2.696 3.811 8.457 1.00 0.00 C ATOM 0 H LEU A 91 -1.621 3.239 8.696 1.00 0.00 H new ATOM 0 HA LEU A 91 0.913 2.078 7.689 1.00 0.00 H new ATOM 0 HB2 LEU A 91 0.067 2.910 10.484 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.491 1.945 10.149 1.00 0.00 H new ATOM 0 HG LEU A 91 0.990 4.800 9.267 1.00 0.00 H new ATOM 0 HD11 LEU A 91 2.918 5.293 10.717 1.00 0.00 H new ATOM 0 HD12 LEU A 91 1.578 4.557 11.628 1.00 0.00 H new ATOM 0 HD13 LEU A 91 2.998 3.578 11.187 1.00 0.00 H new ATOM 0 HD21 LEU A 91 3.272 4.729 8.342 1.00 0.00 H new ATOM 0 HD22 LEU A 91 3.366 2.992 8.719 1.00 0.00 H new ATOM 0 HD23 LEU A 91 2.191 3.580 7.519 1.00 0.00 H new ATOM 1348 N VAL A 92 0.459 -0.227 8.734 1.00 0.00 N ATOM 1349 CA VAL A 92 0.038 -1.600 8.988 1.00 0.00 C ATOM 1350 C VAL A 92 0.868 -2.232 10.100 1.00 0.00 C ATOM 1351 O VAL A 92 2.055 -2.504 9.924 1.00 0.00 O ATOM 1352 CB VAL A 92 0.154 -2.466 7.720 1.00 0.00 C ATOM 1353 CG1 VAL A 92 -0.265 -3.899 8.012 1.00 0.00 C ATOM 1354 CG2 VAL A 92 -0.682 -1.876 6.594 1.00 0.00 C ATOM 0 H VAL A 92 1.455 -0.120 8.541 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.007 -1.559 9.297 1.00 0.00 H new ATOM 0 HB VAL A 92 1.196 -2.475 7.401 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -0.177 -4.496 7.104 1.00 0.00 H new ATOM 0 HG12 VAL A 92 0.380 -4.316 8.785 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -1.299 -3.913 8.356 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -0.588 -2.501 5.706 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -1.727 -1.835 6.900 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -0.330 -0.869 6.369 1.00 0.00 H new ATOM 1364 N ASN A 93 0.235 -2.465 11.245 1.00 0.00 N ATOM 1365 CA ASN A 93 0.915 -3.066 12.386 1.00 0.00 C ATOM 1366 C ASN A 93 1.181 -4.549 12.142 1.00 0.00 C ATOM 1367 O ASN A 93 0.298 -5.285 11.701 1.00 0.00 O ATOM 1368 CB ASN A 93 0.080 -2.889 13.655 1.00 0.00 C ATOM 1369 CG ASN A 93 -0.425 -1.468 13.821 1.00 0.00 C ATOM 1370 OD1 ASN A 93 0.338 -0.561 14.155 1.00 0.00 O ATOM 1371 ND2 ASN A 93 -1.717 -1.269 13.589 1.00 0.00 N ATOM 0 H ASN A 93 -0.748 -2.247 11.407 1.00 0.00 H new ATOM 0 HA ASN A 93 1.872 -2.560 12.515 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -0.769 -3.572 13.627 1.00 0.00 H new ATOM 0 HB3 ASN A 93 0.680 -3.162 14.523 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -2.114 -0.335 13.685 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -2.312 -2.051 13.314 1.00 0.00 H new ATOM 1378 N VAL A 94 2.405 -4.980 12.432 1.00 0.00 N ATOM 1379 CA VAL A 94 2.787 -6.375 12.246 1.00 0.00 C ATOM 1380 C VAL A 94 3.466 -6.929 13.494 1.00 0.00 C ATOM 1381 O VAL A 94 4.164 -6.208 14.205 1.00 0.00 O ATOM 1382 CB VAL A 94 3.734 -6.541 11.043 1.00 0.00 C ATOM 1383 CG1 VAL A 94 3.795 -7.998 10.609 1.00 0.00 C ATOM 1384 CG2 VAL A 94 3.293 -5.651 9.891 1.00 0.00 C ATOM 0 H VAL A 94 3.148 -4.384 12.796 1.00 0.00 H new ATOM 0 HA VAL A 94 1.870 -6.933 12.057 1.00 0.00 H new ATOM 0 HB VAL A 94 4.735 -6.235 11.346 1.00 0.00 H new ATOM 0 HG11 VAL A 94 4.469 -8.096 9.758 1.00 0.00 H new ATOM 0 HG12 VAL A 94 4.161 -8.608 11.434 1.00 0.00 H new ATOM 0 HG13 VAL A 94 2.798 -8.335 10.323 1.00 0.00 H new ATOM 0 HG21 VAL A 94 3.974 -5.781 9.050 1.00 0.00 H new ATOM 0 HG22 VAL A 94 2.283 -5.924 9.586 1.00 0.00 H new ATOM 0 HG23 VAL A 94 3.306 -4.609 10.211 1.00 0.00 H new ATOM 1394 N ASN A 95 3.256 -8.216 13.752 1.00 0.00 N ATOM 1395 CA ASN A 95 3.848 -8.868 14.915 1.00 0.00 C ATOM 1396 C ASN A 95 5.287 -9.287 14.629 1.00 0.00 C ATOM 1397 O ASN A 95 5.532 -10.281 13.948 1.00 0.00 O ATOM 1398 CB ASN A 95 3.020 -10.091 15.316 1.00 0.00 C ATOM 1399 CG ASN A 95 3.710 -10.936 16.369 1.00 0.00 C ATOM 1400 OD1 ASN A 95 4.339 -10.411 17.288 1.00 0.00 O ATOM 1401 ND2 ASN A 95 3.595 -12.253 16.240 1.00 0.00 N ATOM 0 H ASN A 95 2.681 -8.827 13.172 1.00 0.00 H new ATOM 0 HA ASN A 95 3.852 -8.154 15.738 1.00 0.00 H new ATOM 0 HB2 ASN A 95 2.052 -9.763 15.694 1.00 0.00 H new ATOM 0 HB3 ASN A 95 2.827 -10.701 14.434 1.00 0.00 H new ATOM 0 HD21 ASN A 95 4.038 -12.873 16.919 1.00 0.00 H new ATOM 0 HD22 ASN A 95 3.064 -12.645 15.462 1.00 0.00 H new ATOM 1408 N GLY A 96 6.237 -8.520 15.157 1.00 0.00 N ATOM 1409 CA GLY A 96 7.640 -8.827 14.949 1.00 0.00 C ATOM 1410 C GLY A 96 8.341 -7.787 14.097 1.00 0.00 C ATOM 1411 O GLY A 96 9.357 -7.225 14.504 1.00 0.00 O ATOM 0 H GLY A 96 6.059 -7.692 15.725 1.00 0.00 H new ATOM 0 HA2 GLY A 96 8.140 -8.898 15.915 1.00 0.00 H new ATOM 0 HA3 GLY A 96 7.728 -9.803 14.472 1.00 0.00 H new ATOM 1415 N SER A 97 7.797 -7.531 12.911 1.00 0.00 N ATOM 1416 CA SER A 97 8.381 -6.556 11.998 1.00 0.00 C ATOM 1417 C SER A 97 8.866 -5.324 12.756 1.00 0.00 C ATOM 1418 O SER A 97 8.260 -4.886 13.734 1.00 0.00 O ATOM 1419 CB SER A 97 7.358 -6.145 10.936 1.00 0.00 C ATOM 1420 OG SER A 97 6.639 -4.993 11.339 1.00 0.00 O ATOM 0 H SER A 97 6.954 -7.985 12.561 1.00 0.00 H new ATOM 0 HA SER A 97 9.237 -7.020 11.509 1.00 0.00 H new ATOM 0 HB2 SER A 97 7.868 -5.948 9.993 1.00 0.00 H new ATOM 0 HB3 SER A 97 6.664 -6.967 10.758 1.00 0.00 H new ATOM 0 HG SER A 97 6.834 -4.255 10.725 1.00 0.00 H new ATOM 1426 N PRO A 98 9.987 -4.750 12.294 1.00 0.00 N ATOM 1427 CA PRO A 98 10.580 -3.561 12.913 1.00 0.00 C ATOM 1428 C PRO A 98 9.734 -2.311 12.694 1.00 0.00 C ATOM 1429 O PRO A 98 9.684 -1.427 13.549 1.00 0.00 O ATOM 1430 CB PRO A 98 11.928 -3.425 12.200 1.00 0.00 C ATOM 1431 CG PRO A 98 11.730 -4.095 10.885 1.00 0.00 C ATOM 1432 CD PRO A 98 10.762 -5.218 11.133 1.00 0.00 C ATOM 0 HA PRO A 98 10.663 -3.663 13.995 1.00 0.00 H new ATOM 0 HB2 PRO A 98 12.205 -2.378 12.073 1.00 0.00 H new ATOM 0 HB3 PRO A 98 12.727 -3.900 12.770 1.00 0.00 H new ATOM 0 HG2 PRO A 98 11.336 -3.396 10.147 1.00 0.00 H new ATOM 0 HG3 PRO A 98 12.674 -4.473 10.494 1.00 0.00 H new ATOM 0 HD2 PRO A 98 10.123 -5.396 10.268 1.00 0.00 H new ATOM 0 HD3 PRO A 98 11.278 -6.154 11.345 1.00 0.00 H new ATOM 1440 N GLU A 99 9.070 -2.245 11.544 1.00 0.00 N ATOM 1441 CA GLU A 99 8.226 -1.102 11.215 1.00 0.00 C ATOM 1442 C GLU A 99 7.036 -1.533 10.362 1.00 0.00 C ATOM 1443 O GLU A 99 7.114 -2.474 9.572 1.00 0.00 O ATOM 1444 CB GLU A 99 9.038 -0.037 10.476 1.00 0.00 C ATOM 1445 CG GLU A 99 10.054 0.673 11.355 1.00 0.00 C ATOM 1446 CD GLU A 99 9.458 1.152 12.665 1.00 0.00 C ATOM 1447 OE1 GLU A 99 8.350 1.728 12.638 1.00 0.00 O ATOM 1448 OE2 GLU A 99 10.100 0.951 13.717 1.00 0.00 O ATOM 0 H GLU A 99 9.100 -2.968 10.826 1.00 0.00 H new ATOM 0 HA GLU A 99 7.850 -0.680 12.147 1.00 0.00 H new ATOM 0 HB2 GLU A 99 9.558 -0.504 9.639 1.00 0.00 H new ATOM 0 HB3 GLU A 99 8.355 0.701 10.055 1.00 0.00 H new ATOM 0 HG2 GLU A 99 10.884 -0.002 11.563 1.00 0.00 H new ATOM 0 HG3 GLU A 99 10.465 1.525 10.814 1.00 0.00 H new ATOM 1455 N PRO A 100 5.907 -0.828 10.525 1.00 0.00 N ATOM 1456 CA PRO A 100 4.678 -1.118 9.779 1.00 0.00 C ATOM 1457 C PRO A 100 4.801 -0.766 8.301 1.00 0.00 C ATOM 1458 O PRO A 100 5.621 0.067 7.916 1.00 0.00 O ATOM 1459 CB PRO A 100 3.634 -0.227 10.456 1.00 0.00 C ATOM 1460 CG PRO A 100 4.417 0.894 11.046 1.00 0.00 C ATOM 1461 CD PRO A 100 5.742 0.307 11.449 1.00 0.00 C ATOM 0 HA PRO A 100 4.430 -2.179 9.799 1.00 0.00 H new ATOM 0 HB2 PRO A 100 2.900 0.138 9.738 1.00 0.00 H new ATOM 0 HB3 PRO A 100 3.085 -0.773 11.223 1.00 0.00 H new ATOM 0 HG2 PRO A 100 4.551 1.699 10.324 1.00 0.00 H new ATOM 0 HG3 PRO A 100 3.901 1.320 11.906 1.00 0.00 H new ATOM 0 HD2 PRO A 100 6.550 1.031 11.345 1.00 0.00 H new ATOM 0 HD3 PRO A 100 5.738 -0.019 12.489 1.00 0.00 H new ATOM 1469 N VAL A 101 3.979 -1.406 7.475 1.00 0.00 N ATOM 1470 CA VAL A 101 3.994 -1.159 6.038 1.00 0.00 C ATOM 1471 C VAL A 101 3.357 0.184 5.704 1.00 0.00 C ATOM 1472 O VAL A 101 2.142 0.282 5.529 1.00 0.00 O ATOM 1473 CB VAL A 101 3.255 -2.271 5.269 1.00 0.00 C ATOM 1474 CG1 VAL A 101 3.077 -1.884 3.809 1.00 0.00 C ATOM 1475 CG2 VAL A 101 4.002 -3.590 5.392 1.00 0.00 C ATOM 0 H VAL A 101 3.294 -2.099 7.777 1.00 0.00 H new ATOM 0 HA VAL A 101 5.040 -1.148 5.730 1.00 0.00 H new ATOM 0 HB VAL A 101 2.266 -2.397 5.709 1.00 0.00 H new ATOM 0 HG11 VAL A 101 2.553 -2.682 3.282 1.00 0.00 H new ATOM 0 HG12 VAL A 101 2.496 -0.964 3.745 1.00 0.00 H new ATOM 0 HG13 VAL A 101 4.054 -1.728 3.352 1.00 0.00 H new ATOM 0 HG21 VAL A 101 3.466 -4.364 4.843 1.00 0.00 H new ATOM 0 HG22 VAL A 101 5.005 -3.480 4.979 1.00 0.00 H new ATOM 0 HG23 VAL A 101 4.071 -3.872 6.443 1.00 0.00 H new ATOM 1485 N LYS A 102 4.184 1.220 5.616 1.00 0.00 N ATOM 1486 CA LYS A 102 3.703 2.560 5.302 1.00 0.00 C ATOM 1487 C LYS A 102 3.007 2.584 3.944 1.00 0.00 C ATOM 1488 O LYS A 102 3.530 2.062 2.958 1.00 0.00 O ATOM 1489 CB LYS A 102 4.865 3.556 5.308 1.00 0.00 C ATOM 1490 CG LYS A 102 4.427 5.002 5.147 1.00 0.00 C ATOM 1491 CD LYS A 102 5.560 5.965 5.457 1.00 0.00 C ATOM 1492 CE LYS A 102 5.783 6.100 6.956 1.00 0.00 C ATOM 1493 NZ LYS A 102 6.887 7.048 7.269 1.00 0.00 N ATOM 0 H LYS A 102 5.192 1.157 5.758 1.00 0.00 H new ATOM 0 HA LYS A 102 2.981 2.848 6.066 1.00 0.00 H new ATOM 0 HB2 LYS A 102 5.415 3.454 6.243 1.00 0.00 H new ATOM 0 HB3 LYS A 102 5.555 3.302 4.503 1.00 0.00 H new ATOM 0 HG2 LYS A 102 4.077 5.166 4.128 1.00 0.00 H new ATOM 0 HG3 LYS A 102 3.585 5.204 5.809 1.00 0.00 H new ATOM 0 HD2 LYS A 102 6.476 5.615 4.982 1.00 0.00 H new ATOM 0 HD3 LYS A 102 5.334 6.943 5.032 1.00 0.00 H new ATOM 0 HE2 LYS A 102 4.864 6.444 7.430 1.00 0.00 H new ATOM 0 HE3 LYS A 102 6.013 5.122 7.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 7.008 7.112 8.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 7.770 6.707 6.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 6.656 7.988 6.888 1.00 0.00 H new ATOM 1507 N LEU A 103 1.827 3.192 3.900 1.00 0.00 N ATOM 1508 CA LEU A 103 1.060 3.285 2.663 1.00 0.00 C ATOM 1509 C LEU A 103 0.554 4.707 2.441 1.00 0.00 C ATOM 1510 O LEU A 103 -0.134 5.273 3.292 1.00 0.00 O ATOM 1511 CB LEU A 103 -0.119 2.311 2.696 1.00 0.00 C ATOM 1512 CG LEU A 103 -1.092 2.395 1.520 1.00 0.00 C ATOM 1513 CD1 LEU A 103 -0.444 1.862 0.252 1.00 0.00 C ATOM 1514 CD2 LEU A 103 -2.371 1.630 1.829 1.00 0.00 C ATOM 0 H LEU A 103 1.380 3.628 4.707 1.00 0.00 H new ATOM 0 HA LEU A 103 1.719 3.020 1.836 1.00 0.00 H new ATOM 0 HB2 LEU A 103 0.275 1.296 2.743 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -0.678 2.479 3.617 1.00 0.00 H new ATOM 0 HG LEU A 103 -1.348 3.442 1.360 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -1.152 1.930 -0.574 1.00 0.00 H new ATOM 0 HD12 LEU A 103 0.442 2.453 0.020 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -0.157 0.821 0.400 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -3.051 1.701 0.980 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -2.133 0.583 2.016 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -2.846 2.057 2.712 1.00 0.00 H new ATOM 1526 N THR A 104 0.897 5.279 1.292 1.00 0.00 N ATOM 1527 CA THR A 104 0.478 6.634 0.957 1.00 0.00 C ATOM 1528 C THR A 104 -0.570 6.628 -0.150 1.00 0.00 C ATOM 1529 O THR A 104 -0.471 5.858 -1.106 1.00 0.00 O ATOM 1530 CB THR A 104 1.672 7.499 0.513 1.00 0.00 C ATOM 1531 OG1 THR A 104 2.786 7.282 1.386 1.00 0.00 O ATOM 1532 CG2 THR A 104 1.302 8.975 0.512 1.00 0.00 C ATOM 0 H THR A 104 1.465 4.824 0.577 1.00 0.00 H new ATOM 0 HA THR A 104 0.045 7.063 1.861 1.00 0.00 H new ATOM 0 HB THR A 104 1.944 7.209 -0.502 1.00 0.00 H new ATOM 0 HG1 THR A 104 3.542 7.834 1.096 1.00 0.00 H new ATOM 0 HG21 THR A 104 2.162 9.565 0.195 1.00 0.00 H new ATOM 0 HG22 THR A 104 0.473 9.142 -0.176 1.00 0.00 H new ATOM 0 HG23 THR A 104 1.006 9.276 1.517 1.00 0.00 H new ATOM 1540 N ILE A 105 -1.572 7.490 -0.015 1.00 0.00 N ATOM 1541 CA ILE A 105 -2.637 7.584 -1.006 1.00 0.00 C ATOM 1542 C ILE A 105 -2.943 9.038 -1.348 1.00 0.00 C ATOM 1543 O ILE A 105 -3.183 9.858 -0.461 1.00 0.00 O ATOM 1544 CB ILE A 105 -3.927 6.902 -0.512 1.00 0.00 C ATOM 1545 CG1 ILE A 105 -3.698 5.401 -0.327 1.00 0.00 C ATOM 1546 CG2 ILE A 105 -5.066 7.153 -1.489 1.00 0.00 C ATOM 1547 CD1 ILE A 105 -4.768 4.723 0.501 1.00 0.00 C ATOM 0 H ILE A 105 -1.669 8.133 0.771 1.00 0.00 H new ATOM 0 HA ILE A 105 -2.283 7.070 -1.900 1.00 0.00 H new ATOM 0 HB ILE A 105 -4.200 7.330 0.452 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -3.652 4.925 -1.307 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -2.729 5.245 0.148 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -5.971 6.665 -1.126 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -5.242 8.225 -1.575 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -4.803 6.749 -2.466 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -4.540 3.661 0.590 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -4.799 5.172 1.494 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -5.736 4.847 0.016 1.00 0.00 H new ATOM 1559 N ARG A 106 -2.935 9.350 -2.640 1.00 0.00 N ATOM 1560 CA ARG A 106 -3.212 10.706 -3.100 1.00 0.00 C ATOM 1561 C ARG A 106 -4.473 10.741 -3.959 1.00 0.00 C ATOM 1562 O ARG A 106 -4.692 9.865 -4.794 1.00 0.00 O ATOM 1563 CB ARG A 106 -2.024 11.250 -3.895 1.00 0.00 C ATOM 1564 CG ARG A 106 -2.060 10.883 -5.370 1.00 0.00 C ATOM 1565 CD ARG A 106 -0.759 11.251 -6.067 1.00 0.00 C ATOM 1566 NE ARG A 106 -0.702 12.672 -6.403 1.00 0.00 N ATOM 1567 CZ ARG A 106 0.295 13.226 -7.083 1.00 0.00 C ATOM 1568 NH1 ARG A 106 1.313 12.484 -7.498 1.00 0.00 N ATOM 1569 NH2 ARG A 106 0.276 14.526 -7.350 1.00 0.00 N ATOM 0 H ARG A 106 -2.740 8.683 -3.386 1.00 0.00 H new ATOM 0 HA ARG A 106 -3.372 11.335 -2.224 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -2.000 12.336 -3.800 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -1.100 10.871 -3.457 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -2.241 9.813 -5.476 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -2.891 11.396 -5.854 1.00 0.00 H new ATOM 0 HD2 ARG A 106 0.082 10.997 -5.422 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -0.654 10.659 -6.976 1.00 0.00 H new ATOM 0 HE ARG A 106 -1.470 13.271 -6.099 1.00 0.00 H new ATOM 0 HH11 ARG A 106 1.332 11.485 -7.295 1.00 0.00 H new ATOM 0 HH12 ARG A 106 2.077 12.913 -8.020 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -0.505 15.100 -7.033 1.00 0.00 H new ATOM 0 HH22 ARG A 106 1.042 14.951 -7.872 1.00 0.00 H new ATOM 1583 N GLY A 107 -5.299 11.761 -3.746 1.00 0.00 N ATOM 1584 CA GLY A 107 -6.528 11.891 -4.508 1.00 0.00 C ATOM 1585 C GLY A 107 -7.128 13.280 -4.407 1.00 0.00 C ATOM 1586 O GLY A 107 -6.822 14.030 -3.479 1.00 0.00 O ATOM 0 H GLY A 107 -5.139 12.499 -3.060 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -6.329 11.659 -5.554 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -7.252 11.159 -4.151 1.00 0.00 H new ATOM 1590 N CYS A 108 -7.983 13.624 -5.363 1.00 0.00 N ATOM 1591 CA CYS A 108 -8.626 14.933 -5.379 1.00 0.00 C ATOM 1592 C CYS A 108 -10.142 14.793 -5.473 1.00 0.00 C ATOM 1593 O CYS A 108 -10.667 14.258 -6.450 1.00 0.00 O ATOM 1594 CB CYS A 108 -8.105 15.765 -6.551 1.00 0.00 C ATOM 1595 SG CYS A 108 -6.436 16.418 -6.309 1.00 0.00 S ATOM 0 H CYS A 108 -8.247 13.015 -6.137 1.00 0.00 H new ATOM 0 HA CYS A 108 -8.384 15.441 -4.446 1.00 0.00 H new ATOM 0 HB2 CYS A 108 -8.116 15.151 -7.452 1.00 0.00 H new ATOM 0 HB3 CYS A 108 -8.788 16.597 -6.724 1.00 0.00 H new ATOM 0 HG CYS A 108 -6.083 17.105 -7.354 1.00 0.00 H new ATOM 1601 N VAL A 109 -10.840 15.276 -4.450 1.00 0.00 N ATOM 1602 CA VAL A 109 -12.296 15.204 -4.417 1.00 0.00 C ATOM 1603 C VAL A 109 -12.921 16.387 -5.147 1.00 0.00 C ATOM 1604 O VAL A 109 -12.568 17.540 -4.898 1.00 0.00 O ATOM 1605 CB VAL A 109 -12.823 15.171 -2.970 1.00 0.00 C ATOM 1606 CG1 VAL A 109 -14.325 14.926 -2.954 1.00 0.00 C ATOM 1607 CG2 VAL A 109 -12.094 14.108 -2.162 1.00 0.00 C ATOM 0 H VAL A 109 -10.421 15.721 -3.634 1.00 0.00 H new ATOM 0 HA VAL A 109 -12.579 14.280 -4.920 1.00 0.00 H new ATOM 0 HB VAL A 109 -12.632 16.140 -2.510 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -14.679 14.906 -1.923 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -14.830 15.726 -3.496 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -14.543 13.971 -3.431 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -12.479 14.099 -1.142 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -12.253 13.131 -2.619 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -11.027 14.332 -2.145 1.00 0.00 H new ATOM 1617 N ILE A 110 -13.853 16.095 -6.048 1.00 0.00 N ATOM 1618 CA ILE A 110 -14.528 17.135 -6.814 1.00 0.00 C ATOM 1619 C ILE A 110 -16.041 16.943 -6.786 1.00 0.00 C ATOM 1620 O ILE A 110 -16.536 15.885 -6.400 1.00 0.00 O ATOM 1621 CB ILE A 110 -14.052 17.156 -8.278 1.00 0.00 C ATOM 1622 CG1 ILE A 110 -14.332 15.810 -8.948 1.00 0.00 C ATOM 1623 CG2 ILE A 110 -12.569 17.490 -8.347 1.00 0.00 C ATOM 1624 CD1 ILE A 110 -14.096 15.818 -10.442 1.00 0.00 C ATOM 0 H ILE A 110 -14.158 15.146 -6.265 1.00 0.00 H new ATOM 0 HA ILE A 110 -14.275 18.086 -6.345 1.00 0.00 H new ATOM 0 HB ILE A 110 -14.604 17.928 -8.813 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -13.699 15.048 -8.493 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -15.366 15.524 -8.753 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -12.247 17.501 -9.388 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -12.396 18.470 -7.903 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -12.001 16.738 -7.799 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -14.314 14.831 -10.850 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -14.748 16.556 -10.909 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -13.056 16.072 -10.645 1.00 0.00 H new ATOM 1636 N GLY A 111 -16.771 17.974 -7.200 1.00 0.00 N ATOM 1637 CA GLY A 111 -18.220 17.898 -7.217 1.00 0.00 C ATOM 1638 C GLY A 111 -18.828 18.671 -8.370 1.00 0.00 C ATOM 1639 O GLY A 111 -18.130 19.333 -9.138 1.00 0.00 O ATOM 0 H GLY A 111 -16.385 18.861 -7.524 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -18.525 16.854 -7.283 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -18.612 18.286 -6.277 1.00 0.00 H new ATOM 1643 N PRO A 112 -20.160 18.591 -8.505 1.00 0.00 N ATOM 1644 CA PRO A 112 -20.891 19.281 -9.572 1.00 0.00 C ATOM 1645 C PRO A 112 -20.904 20.794 -9.381 1.00 0.00 C ATOM 1646 O PRO A 112 -19.854 21.438 -9.380 1.00 0.00 O ATOM 1647 CB PRO A 112 -22.309 18.715 -9.454 1.00 0.00 C ATOM 1648 CG PRO A 112 -22.427 18.282 -8.033 1.00 0.00 C ATOM 1649 CD PRO A 112 -21.055 17.820 -7.626 1.00 0.00 C ATOM 0 HA PRO A 112 -20.433 19.122 -10.548 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -23.058 19.468 -9.702 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -22.460 17.879 -10.137 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -22.766 19.103 -7.402 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -23.156 17.479 -7.929 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -20.858 18.024 -6.574 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -20.933 16.747 -7.771 1.00 0.00 H new TER 1657 PRO A 112