USER MOD reduce.3.24.130724 H: found=0, std=0, add=832, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 831 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 95 SER OG : rot -78:sc= 0.995 USER MOD Set 1.2: A 98 GLN : amide:sc= 1.63 K(o=2.6,f=-2.1!) USER MOD Set 2.1: A 49 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 100 LYS NZ :NH3+ -167:sc= -0.101 (180deg=-0.374) USER MOD Set 3.1: A 8 THR OG1 : rot 180:sc= 1.42 USER MOD Set 3.2: A 11 SER OG : rot -84:sc= 1.94 USER MOD Set 4.1: A 3 LYS NZ :NH3+ -175:sc= 0.529 (180deg=-0.0259) USER MOD Set 4.2: A 50 GLN : amide:sc= 1.13 K(o=1.7,f=-1.5) USER MOD Single : A 1 SER N :NH3+ 156:sc= 0.233 (180deg=0.0447) USER MOD Single : A 1 SER OG : rot 180:sc= 0.136 USER MOD Single : A 6 HIS : no HE2:sc= -0.155 X(o=-0.16,f=-0.61) USER MOD Single : A 14 THR OG1 : rot 43:sc= 1.23 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00634) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0431) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ -176:sc= 0.945 (180deg=0.909) USER MOD Single : A 59 ASN : amide:sc= 1.23 K(o=1.2,f=-6.7!) USER MOD Single : A 62 GLN : amide:sc= 1.15 K(o=1.1,f=-0.43) USER MOD Single : A 63 ASN : amide:sc= -0.195 K(o=-0.19,f=-3.7!) USER MOD Single : A 66 THR OG1 : rot 75:sc= 1.19 USER MOD Single : A 69 LYS NZ :NH3+ -146:sc= 0.882 (180deg=0.417) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot 129:sc= 1.22 USER MOD Single : A 82 LYS NZ :NH3+ -119:sc= -0.0324 (180deg=-0.204) USER MOD Single : A 83 ASN : amide:sc= 0.604 K(o=0.6,f=-0.46) USER MOD Single : A 89 THR OG1 : rot 21:sc= 0.43 USER MOD Single : A 90 LYS NZ :NH3+ 163:sc= 1.34 (180deg=1.07) USER MOD Single : A 96 LYS NZ :NH3+ -172:sc= -0.0934 (180deg=-0.107) USER MOD Single : A 106 ASN : amide:sc= 0.67 K(o=0.67,f=-6.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 9.586 -10.760 -0.013 1.00 0.00 N ATOM 2 CA SER A 1 8.610 -10.340 0.973 1.00 0.00 C ATOM 3 C SER A 1 7.324 -9.856 0.298 1.00 0.00 C ATOM 4 O SER A 1 6.842 -8.759 0.574 1.00 0.00 O ATOM 5 CB SER A 1 9.250 -9.263 1.851 1.00 0.00 C ATOM 6 OG SER A 1 10.567 -9.654 2.193 1.00 0.00 O ATOM 0 H1 SER A 1 10.541 -10.694 0.394 1.00 0.00 H new ATOM 0 H2 SER A 1 9.396 -11.744 -0.292 1.00 0.00 H new ATOM 0 H3 SER A 1 9.522 -10.144 -0.849 1.00 0.00 H new ATOM 0 HA SER A 1 8.320 -11.181 1.603 1.00 0.00 H new ATOM 0 HB2 SER A 1 9.268 -8.310 1.322 1.00 0.00 H new ATOM 0 HB3 SER A 1 8.657 -9.115 2.754 1.00 0.00 H new ATOM 0 HG SER A 1 10.978 -8.964 2.754 1.00 0.00 H new ATOM 12 N ASP A 2 6.782 -10.681 -0.601 1.00 0.00 N ATOM 13 CA ASP A 2 5.563 -10.391 -1.348 1.00 0.00 C ATOM 14 C ASP A 2 4.350 -10.425 -0.417 1.00 0.00 C ATOM 15 O ASP A 2 3.524 -11.332 -0.476 1.00 0.00 O ATOM 16 CB ASP A 2 5.436 -11.370 -2.524 1.00 0.00 C ATOM 17 CG ASP A 2 4.206 -11.085 -3.383 1.00 0.00 C ATOM 18 OD1 ASP A 2 3.965 -9.891 -3.663 1.00 0.00 O ATOM 19 OD2 ASP A 2 3.532 -12.068 -3.760 1.00 0.00 O ATOM 0 H ASP A 2 7.189 -11.587 -0.832 1.00 0.00 H new ATOM 0 HA ASP A 2 5.610 -9.385 -1.764 1.00 0.00 H new ATOM 0 HB2 ASP A 2 6.331 -11.309 -3.143 1.00 0.00 H new ATOM 0 HB3 ASP A 2 5.381 -12.389 -2.142 1.00 0.00 H new ATOM 24 N LYS A 3 4.234 -9.407 0.434 1.00 0.00 N ATOM 25 CA LYS A 3 3.170 -9.218 1.407 1.00 0.00 C ATOM 26 C LYS A 3 2.262 -8.149 0.808 1.00 0.00 C ATOM 27 O LYS A 3 1.965 -7.128 1.425 1.00 0.00 O ATOM 28 CB LYS A 3 3.809 -8.791 2.738 1.00 0.00 C ATOM 29 CG LYS A 3 4.645 -9.933 3.340 1.00 0.00 C ATOM 30 CD LYS A 3 5.649 -9.436 4.392 1.00 0.00 C ATOM 31 CE LYS A 3 5.013 -8.570 5.482 1.00 0.00 C ATOM 32 NZ LYS A 3 3.900 -9.254 6.161 1.00 0.00 N ATOM 0 H LYS A 3 4.920 -8.653 0.461 1.00 0.00 H new ATOM 0 HA LYS A 3 2.586 -10.115 1.614 1.00 0.00 H new ATOM 0 HB2 LYS A 3 4.442 -7.918 2.578 1.00 0.00 H new ATOM 0 HB3 LYS A 3 3.030 -8.496 3.441 1.00 0.00 H new ATOM 0 HG2 LYS A 3 3.979 -10.665 3.796 1.00 0.00 H new ATOM 0 HG3 LYS A 3 5.183 -10.445 2.542 1.00 0.00 H new ATOM 0 HD2 LYS A 3 6.131 -10.296 4.857 1.00 0.00 H new ATOM 0 HD3 LYS A 3 6.431 -8.863 3.894 1.00 0.00 H new ATOM 0 HE2 LYS A 3 5.772 -8.299 6.216 1.00 0.00 H new ATOM 0 HE3 LYS A 3 4.651 -7.642 5.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 3.447 -8.600 6.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 3.202 -9.566 5.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 4.264 -10.081 6.677 1.00 0.00 H new ATOM 46 N ILE A 4 1.897 -8.389 -0.451 1.00 0.00 N ATOM 47 CA ILE A 4 1.159 -7.479 -1.299 1.00 0.00 C ATOM 48 C ILE A 4 -0.232 -8.032 -1.582 1.00 0.00 C ATOM 49 O ILE A 4 -0.406 -9.239 -1.746 1.00 0.00 O ATOM 50 CB ILE A 4 1.978 -7.281 -2.583 1.00 0.00 C ATOM 51 CG1 ILE A 4 3.343 -6.665 -2.218 1.00 0.00 C ATOM 52 CG2 ILE A 4 1.214 -6.416 -3.582 1.00 0.00 C ATOM 53 CD1 ILE A 4 4.150 -6.182 -3.422 1.00 0.00 C ATOM 0 H ILE A 4 2.122 -9.266 -0.921 1.00 0.00 H new ATOM 0 HA ILE A 4 1.013 -6.515 -0.812 1.00 0.00 H new ATOM 0 HB ILE A 4 2.148 -8.244 -3.064 1.00 0.00 H new ATOM 0 HG12 ILE A 4 3.182 -5.826 -1.542 1.00 0.00 H new ATOM 0 HG13 ILE A 4 3.930 -7.405 -1.674 1.00 0.00 H new ATOM 0 HG21 ILE A 4 1.812 -6.288 -4.484 1.00 0.00 H new ATOM 0 HG22 ILE A 4 0.272 -6.901 -3.837 1.00 0.00 H new ATOM 0 HG23 ILE A 4 1.012 -5.441 -3.139 1.00 0.00 H new ATOM 0 HD11 ILE A 4 5.096 -5.762 -3.081 1.00 0.00 H new ATOM 0 HD12 ILE A 4 4.345 -7.021 -4.090 1.00 0.00 H new ATOM 0 HD13 ILE A 4 3.585 -5.417 -3.955 1.00 0.00 H new ATOM 65 N ILE A 5 -1.221 -7.139 -1.646 1.00 0.00 N ATOM 66 CA ILE A 5 -2.607 -7.503 -1.902 1.00 0.00 C ATOM 67 C ILE A 5 -2.902 -7.489 -3.396 1.00 0.00 C ATOM 68 O ILE A 5 -2.937 -6.440 -4.032 1.00 0.00 O ATOM 69 CB ILE A 5 -3.564 -6.594 -1.106 1.00 0.00 C ATOM 70 CG1 ILE A 5 -3.204 -6.502 0.389 1.00 0.00 C ATOM 71 CG2 ILE A 5 -5.020 -7.046 -1.286 1.00 0.00 C ATOM 72 CD1 ILE A 5 -3.152 -7.851 1.114 1.00 0.00 C ATOM 0 H ILE A 5 -1.077 -6.137 -1.520 1.00 0.00 H new ATOM 0 HA ILE A 5 -2.772 -8.523 -1.555 1.00 0.00 H new ATOM 0 HB ILE A 5 -3.450 -5.591 -1.516 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -2.234 -6.014 0.487 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -3.934 -5.864 0.887 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -5.678 -6.390 -0.715 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -5.288 -6.999 -2.342 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -5.130 -8.070 -0.929 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -2.892 -7.692 2.160 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -4.127 -8.335 1.052 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -2.401 -8.487 0.646 1.00 0.00 H new ATOM 84 N HIS A 6 -3.122 -8.676 -3.953 1.00 0.00 N ATOM 85 CA HIS A 6 -3.433 -8.881 -5.351 1.00 0.00 C ATOM 86 C HIS A 6 -4.925 -8.634 -5.557 1.00 0.00 C ATOM 87 O HIS A 6 -5.742 -9.509 -5.280 1.00 0.00 O ATOM 88 CB HIS A 6 -2.950 -10.284 -5.729 1.00 0.00 C ATOM 89 CG HIS A 6 -1.453 -10.364 -5.553 1.00 0.00 C ATOM 90 ND1 HIS A 6 -0.765 -10.898 -4.474 1.00 0.00 N ATOM 91 CD2 HIS A 6 -0.599 -9.521 -6.198 1.00 0.00 C ATOM 92 CE1 HIS A 6 0.492 -10.409 -4.509 1.00 0.00 C ATOM 93 NE2 HIS A 6 0.616 -9.585 -5.557 1.00 0.00 N ATOM 0 H HIS A 6 -3.086 -9.545 -3.421 1.00 0.00 H new ATOM 0 HA HIS A 6 -2.924 -8.184 -6.016 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -3.441 -11.030 -5.104 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -3.218 -10.507 -6.762 1.00 0.00 H new ATOM 0 HD1 HIS A 6 -1.141 -11.544 -3.780 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -0.834 -8.912 -7.058 1.00 0.00 H new ATOM 0 HE1 HIS A 6 1.275 -10.645 -3.803 1.00 0.00 H new ATOM 102 N LEU A 7 -5.269 -7.424 -6.002 1.00 0.00 N ATOM 103 CA LEU A 7 -6.645 -6.999 -6.181 1.00 0.00 C ATOM 104 C LEU A 7 -7.227 -7.514 -7.491 1.00 0.00 C ATOM 105 O LEU A 7 -6.517 -8.010 -8.363 1.00 0.00 O ATOM 106 CB LEU A 7 -6.694 -5.464 -6.159 1.00 0.00 C ATOM 107 CG LEU A 7 -6.274 -4.864 -4.810 1.00 0.00 C ATOM 108 CD1 LEU A 7 -6.110 -3.356 -4.993 1.00 0.00 C ATOM 109 CD2 LEU A 7 -7.328 -5.128 -3.731 1.00 0.00 C ATOM 0 H LEU A 7 -4.586 -6.708 -6.249 1.00 0.00 H new ATOM 0 HA LEU A 7 -7.245 -7.413 -5.370 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -6.042 -5.075 -6.941 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -7.706 -5.136 -6.396 1.00 0.00 H new ATOM 0 HG LEU A 7 -5.341 -5.327 -4.489 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -5.811 -2.905 -4.047 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -5.345 -3.162 -5.745 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -7.056 -2.924 -5.318 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -7.001 -4.691 -2.788 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -8.275 -4.679 -4.030 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -7.460 -6.203 -3.606 1.00 0.00 H new ATOM 121 N THR A 8 -8.540 -7.343 -7.625 1.00 0.00 N ATOM 122 CA THR A 8 -9.329 -7.651 -8.801 1.00 0.00 C ATOM 123 C THR A 8 -10.293 -6.482 -8.969 1.00 0.00 C ATOM 124 O THR A 8 -10.534 -5.746 -8.008 1.00 0.00 O ATOM 125 CB THR A 8 -10.094 -8.973 -8.626 1.00 0.00 C ATOM 126 OG1 THR A 8 -11.078 -8.865 -7.609 1.00 0.00 O ATOM 127 CG2 THR A 8 -9.149 -10.132 -8.291 1.00 0.00 C ATOM 0 H THR A 8 -9.109 -6.963 -6.868 1.00 0.00 H new ATOM 0 HA THR A 8 -8.698 -7.780 -9.680 1.00 0.00 H new ATOM 0 HB THR A 8 -10.582 -9.181 -9.578 1.00 0.00 H new ATOM 0 HG1 THR A 8 -11.551 -9.719 -7.519 1.00 0.00 H new ATOM 0 HG21 THR A 8 -9.726 -11.050 -8.175 1.00 0.00 H new ATOM 0 HG22 THR A 8 -8.427 -10.257 -9.098 1.00 0.00 H new ATOM 0 HG23 THR A 8 -8.622 -9.915 -7.362 1.00 0.00 H new ATOM 135 N ASP A 9 -10.871 -6.315 -10.161 1.00 0.00 N ATOM 136 CA ASP A 9 -11.850 -5.258 -10.392 1.00 0.00 C ATOM 137 C ASP A 9 -12.961 -5.361 -9.338 1.00 0.00 C ATOM 138 O ASP A 9 -13.393 -4.363 -8.766 1.00 0.00 O ATOM 139 CB ASP A 9 -12.432 -5.363 -11.808 1.00 0.00 C ATOM 140 CG ASP A 9 -11.385 -5.216 -12.909 1.00 0.00 C ATOM 141 OD1 ASP A 9 -10.525 -4.318 -12.775 1.00 0.00 O ATOM 142 OD2 ASP A 9 -11.463 -5.996 -13.882 1.00 0.00 O ATOM 0 H ASP A 9 -10.677 -6.897 -10.976 1.00 0.00 H new ATOM 0 HA ASP A 9 -11.362 -4.287 -10.304 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -12.930 -6.327 -11.917 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -13.194 -4.594 -11.937 1.00 0.00 H new ATOM 147 N ASP A 10 -13.402 -6.595 -9.084 1.00 0.00 N ATOM 148 CA ASP A 10 -14.446 -6.934 -8.129 1.00 0.00 C ATOM 149 C ASP A 10 -14.068 -6.535 -6.700 1.00 0.00 C ATOM 150 O ASP A 10 -14.886 -5.958 -5.989 1.00 0.00 O ATOM 151 CB ASP A 10 -14.738 -8.442 -8.188 1.00 0.00 C ATOM 152 CG ASP A 10 -15.003 -8.931 -9.608 1.00 0.00 C ATOM 153 OD1 ASP A 10 -14.002 -9.057 -10.348 1.00 0.00 O ATOM 154 OD2 ASP A 10 -16.188 -9.161 -9.927 1.00 0.00 O ATOM 0 H ASP A 10 -13.023 -7.414 -9.560 1.00 0.00 H new ATOM 0 HA ASP A 10 -15.339 -6.372 -8.404 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -13.893 -8.989 -7.771 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -15.602 -8.666 -7.563 1.00 0.00 H new ATOM 159 N SER A 11 -12.844 -6.852 -6.262 1.00 0.00 N ATOM 160 CA SER A 11 -12.436 -6.576 -4.886 1.00 0.00 C ATOM 161 C SER A 11 -12.076 -5.105 -4.687 1.00 0.00 C ATOM 162 O SER A 11 -12.196 -4.596 -3.569 1.00 0.00 O ATOM 163 CB SER A 11 -11.265 -7.480 -4.490 1.00 0.00 C ATOM 164 OG SER A 11 -10.224 -7.409 -5.442 1.00 0.00 O ATOM 0 H SER A 11 -12.127 -7.295 -6.837 1.00 0.00 H new ATOM 0 HA SER A 11 -13.284 -6.792 -4.236 1.00 0.00 H new ATOM 0 HB2 SER A 11 -10.888 -7.184 -3.511 1.00 0.00 H new ATOM 0 HB3 SER A 11 -11.611 -8.510 -4.400 1.00 0.00 H new ATOM 0 HG SER A 11 -10.411 -8.029 -6.178 1.00 0.00 H new ATOM 170 N PHE A 12 -11.629 -4.431 -5.751 1.00 0.00 N ATOM 171 CA PHE A 12 -11.220 -3.035 -5.754 1.00 0.00 C ATOM 172 C PHE A 12 -12.070 -2.145 -4.842 1.00 0.00 C ATOM 173 O PHE A 12 -11.536 -1.460 -3.975 1.00 0.00 O ATOM 174 CB PHE A 12 -11.227 -2.493 -7.188 1.00 0.00 C ATOM 175 CG PHE A 12 -10.426 -1.220 -7.326 1.00 0.00 C ATOM 176 CD1 PHE A 12 -9.032 -1.313 -7.462 1.00 0.00 C ATOM 177 CD2 PHE A 12 -11.034 0.039 -7.163 1.00 0.00 C ATOM 178 CE1 PHE A 12 -8.249 -0.152 -7.493 1.00 0.00 C ATOM 179 CE2 PHE A 12 -10.246 1.202 -7.179 1.00 0.00 C ATOM 180 CZ PHE A 12 -8.858 1.108 -7.376 1.00 0.00 C ATOM 0 H PHE A 12 -11.541 -4.867 -6.669 1.00 0.00 H new ATOM 0 HA PHE A 12 -10.209 -3.005 -5.348 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -10.822 -3.249 -7.861 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -12.255 -2.308 -7.498 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -8.562 -2.282 -7.543 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -12.103 0.111 -7.026 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -7.178 -0.226 -7.607 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -10.707 2.169 -7.040 1.00 0.00 H new ATOM 0 HZ PHE A 12 -8.259 2.005 -7.437 1.00 0.00 H new ATOM 190 N ASP A 13 -13.392 -2.152 -5.028 1.00 0.00 N ATOM 191 CA ASP A 13 -14.300 -1.341 -4.224 1.00 0.00 C ATOM 192 C ASP A 13 -14.108 -1.612 -2.731 1.00 0.00 C ATOM 193 O ASP A 13 -13.719 -0.733 -1.965 1.00 0.00 O ATOM 194 CB ASP A 13 -15.749 -1.609 -4.651 1.00 0.00 C ATOM 195 CG ASP A 13 -16.736 -0.908 -3.720 1.00 0.00 C ATOM 196 OD1 ASP A 13 -16.914 0.316 -3.899 1.00 0.00 O ATOM 197 OD2 ASP A 13 -17.280 -1.605 -2.839 1.00 0.00 O ATOM 0 H ASP A 13 -13.858 -2.718 -5.737 1.00 0.00 H new ATOM 0 HA ASP A 13 -14.072 -0.289 -4.394 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -15.900 -1.262 -5.673 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -15.940 -2.682 -4.647 1.00 0.00 H new ATOM 202 N THR A 14 -14.389 -2.846 -2.322 1.00 0.00 N ATOM 203 CA THR A 14 -14.304 -3.281 -0.941 1.00 0.00 C ATOM 204 C THR A 14 -12.932 -3.045 -0.326 1.00 0.00 C ATOM 205 O THR A 14 -12.838 -2.734 0.856 1.00 0.00 O ATOM 206 CB THR A 14 -14.666 -4.770 -0.883 1.00 0.00 C ATOM 207 OG1 THR A 14 -14.378 -5.395 -2.124 1.00 0.00 O ATOM 208 CG2 THR A 14 -16.159 -4.931 -0.610 1.00 0.00 C ATOM 0 H THR A 14 -14.688 -3.584 -2.960 1.00 0.00 H new ATOM 0 HA THR A 14 -15.003 -2.686 -0.353 1.00 0.00 H new ATOM 0 HB THR A 14 -14.081 -5.231 -0.087 1.00 0.00 H new ATOM 0 HG1 THR A 14 -13.514 -5.076 -2.458 1.00 0.00 H new ATOM 0 HG21 THR A 14 -16.409 -5.991 -0.570 1.00 0.00 H new ATOM 0 HG22 THR A 14 -16.407 -4.463 0.343 1.00 0.00 H new ATOM 0 HG23 THR A 14 -16.728 -4.454 -1.408 1.00 0.00 H new ATOM 216 N ASP A 15 -11.869 -3.244 -1.102 1.00 0.00 N ATOM 217 CA ASP A 15 -10.522 -3.137 -0.578 1.00 0.00 C ATOM 218 C ASP A 15 -10.025 -1.694 -0.604 1.00 0.00 C ATOM 219 O ASP A 15 -9.675 -1.131 0.429 1.00 0.00 O ATOM 220 CB ASP A 15 -9.578 -4.040 -1.383 1.00 0.00 C ATOM 221 CG ASP A 15 -9.781 -5.526 -1.099 1.00 0.00 C ATOM 222 OD1 ASP A 15 -10.938 -5.988 -1.214 1.00 0.00 O ATOM 223 OD2 ASP A 15 -8.766 -6.183 -0.784 1.00 0.00 O ATOM 0 H ASP A 15 -11.921 -3.479 -2.093 1.00 0.00 H new ATOM 0 HA ASP A 15 -10.535 -3.463 0.462 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -9.729 -3.856 -2.447 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -8.546 -3.771 -1.156 1.00 0.00 H new ATOM 228 N VAL A 16 -9.946 -1.113 -1.801 1.00 0.00 N ATOM 229 CA VAL A 16 -9.358 0.191 -2.044 1.00 0.00 C ATOM 230 C VAL A 16 -10.302 1.332 -1.690 1.00 0.00 C ATOM 231 O VAL A 16 -9.911 2.273 -0.997 1.00 0.00 O ATOM 232 CB VAL A 16 -8.914 0.286 -3.513 1.00 0.00 C ATOM 233 CG1 VAL A 16 -8.109 1.566 -3.745 1.00 0.00 C ATOM 234 CG2 VAL A 16 -8.052 -0.915 -3.911 1.00 0.00 C ATOM 0 H VAL A 16 -10.302 -1.555 -2.649 1.00 0.00 H new ATOM 0 HA VAL A 16 -8.492 0.294 -1.391 1.00 0.00 H new ATOM 0 HB VAL A 16 -9.816 0.297 -4.125 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -7.802 1.618 -4.790 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -8.725 2.432 -3.504 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -7.225 1.561 -3.107 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -7.754 -0.819 -4.955 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -7.163 -0.949 -3.281 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -8.625 -1.833 -3.780 1.00 0.00 H new ATOM 244 N LEU A 17 -11.549 1.286 -2.165 1.00 0.00 N ATOM 245 CA LEU A 17 -12.450 2.396 -1.889 1.00 0.00 C ATOM 246 C LEU A 17 -12.744 2.499 -0.394 1.00 0.00 C ATOM 247 O LEU A 17 -12.914 3.600 0.123 1.00 0.00 O ATOM 248 CB LEU A 17 -13.660 2.418 -2.824 1.00 0.00 C ATOM 249 CG LEU A 17 -13.228 2.516 -4.301 1.00 0.00 C ATOM 250 CD1 LEU A 17 -14.462 2.726 -5.182 1.00 0.00 C ATOM 251 CD2 LEU A 17 -12.249 3.667 -4.580 1.00 0.00 C ATOM 0 H LEU A 17 -11.942 0.525 -2.719 1.00 0.00 H new ATOM 0 HA LEU A 17 -11.948 3.332 -2.134 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -14.253 1.515 -2.676 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -14.300 3.264 -2.574 1.00 0.00 H new ATOM 0 HG LEU A 17 -12.717 1.581 -4.529 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -14.156 2.795 -6.226 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -15.144 1.885 -5.059 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -14.965 3.648 -4.889 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -11.989 3.675 -5.638 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -12.717 4.615 -4.314 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -11.346 3.529 -3.985 1.00 0.00 H new ATOM 263 N LYS A 18 -12.722 1.371 0.319 1.00 0.00 N ATOM 264 CA LYS A 18 -12.845 1.358 1.770 1.00 0.00 C ATOM 265 C LYS A 18 -11.465 1.203 2.435 1.00 0.00 C ATOM 266 O LYS A 18 -11.357 0.553 3.474 1.00 0.00 O ATOM 267 CB LYS A 18 -13.832 0.267 2.213 1.00 0.00 C ATOM 268 CG LYS A 18 -15.160 0.273 1.435 1.00 0.00 C ATOM 269 CD LYS A 18 -15.907 1.615 1.457 1.00 0.00 C ATOM 270 CE LYS A 18 -16.261 2.067 2.878 1.00 0.00 C ATOM 271 NZ LYS A 18 -17.040 3.317 2.862 1.00 0.00 N ATOM 0 H LYS A 18 -12.618 0.445 -0.096 1.00 0.00 H new ATOM 0 HA LYS A 18 -13.249 2.315 2.100 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -13.358 -0.707 2.095 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -14.044 0.392 3.275 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -14.960 0.000 0.399 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -15.811 -0.497 1.848 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -15.292 2.377 0.980 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -16.821 1.528 0.869 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -16.833 1.286 3.379 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -15.347 2.212 3.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -17.265 3.598 3.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -16.483 4.067 2.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -17.923 3.169 2.332 1.00 0.00 H new ATOM 285 N ALA A 19 -10.403 1.789 1.856 1.00 0.00 N ATOM 286 CA ALA A 19 -9.046 1.725 2.396 1.00 0.00 C ATOM 287 C ALA A 19 -8.924 2.461 3.735 1.00 0.00 C ATOM 288 O ALA A 19 -8.335 3.541 3.791 1.00 0.00 O ATOM 289 CB ALA A 19 -8.053 2.324 1.392 1.00 0.00 C ATOM 0 H ALA A 19 -10.470 2.325 0.991 1.00 0.00 H new ATOM 0 HA ALA A 19 -8.815 0.674 2.569 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -7.045 2.272 1.803 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -8.094 1.761 0.459 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -8.313 3.365 1.200 1.00 0.00 H new ATOM 295 N ASP A 20 -9.462 1.893 4.816 1.00 0.00 N ATOM 296 CA ASP A 20 -9.401 2.460 6.158 1.00 0.00 C ATOM 297 C ASP A 20 -7.964 2.377 6.693 1.00 0.00 C ATOM 298 O ASP A 20 -7.651 1.557 7.552 1.00 0.00 O ATOM 299 CB ASP A 20 -10.401 1.736 7.069 1.00 0.00 C ATOM 300 CG ASP A 20 -10.401 2.295 8.492 1.00 0.00 C ATOM 301 OD1 ASP A 20 -10.142 3.511 8.633 1.00 0.00 O ATOM 302 OD2 ASP A 20 -10.679 1.498 9.413 1.00 0.00 O ATOM 0 H ASP A 20 -9.963 1.005 4.778 1.00 0.00 H new ATOM 0 HA ASP A 20 -9.680 3.513 6.133 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -11.402 1.823 6.647 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -10.159 0.674 7.099 1.00 0.00 H new ATOM 307 N GLY A 21 -7.088 3.215 6.143 1.00 0.00 N ATOM 308 CA GLY A 21 -5.672 3.293 6.438 1.00 0.00 C ATOM 309 C GLY A 21 -5.014 3.933 5.220 1.00 0.00 C ATOM 310 O GLY A 21 -5.349 5.065 4.876 1.00 0.00 O ATOM 0 H GLY A 21 -7.372 3.895 5.438 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -5.494 3.888 7.334 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -5.259 2.302 6.627 1.00 0.00 H new ATOM 314 N ALA A 22 -4.115 3.210 4.546 1.00 0.00 N ATOM 315 CA ALA A 22 -3.448 3.684 3.345 1.00 0.00 C ATOM 316 C ALA A 22 -3.128 2.470 2.474 1.00 0.00 C ATOM 317 O ALA A 22 -2.391 1.587 2.911 1.00 0.00 O ATOM 318 CB ALA A 22 -2.181 4.447 3.740 1.00 0.00 C ATOM 0 H ALA A 22 -3.832 2.271 4.827 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.083 4.367 2.780 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -1.677 4.805 2.842 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.449 5.296 4.369 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -1.514 3.784 4.291 1.00 0.00 H new ATOM 324 N ILE A 23 -3.686 2.417 1.262 1.00 0.00 N ATOM 325 CA ILE A 23 -3.492 1.336 0.304 1.00 0.00 C ATOM 326 C ILE A 23 -2.763 1.895 -0.918 1.00 0.00 C ATOM 327 O ILE A 23 -3.240 2.847 -1.534 1.00 0.00 O ATOM 328 CB ILE A 23 -4.846 0.681 -0.048 1.00 0.00 C ATOM 329 CG1 ILE A 23 -5.263 -0.300 1.061 1.00 0.00 C ATOM 330 CG2 ILE A 23 -4.801 -0.039 -1.400 1.00 0.00 C ATOM 331 CD1 ILE A 23 -6.594 -1.018 0.835 1.00 0.00 C ATOM 0 H ILE A 23 -4.304 3.150 0.914 1.00 0.00 H new ATOM 0 HA ILE A 23 -2.876 0.545 0.732 1.00 0.00 H new ATOM 0 HB ILE A 23 -5.586 1.478 -0.126 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -4.480 -1.050 1.173 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -5.319 0.246 2.003 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -5.774 -0.485 -1.607 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -4.555 0.676 -2.185 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -4.042 -0.821 -1.371 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -6.794 -1.685 1.673 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -7.395 -0.283 0.757 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -6.543 -1.598 -0.086 1.00 0.00 H new ATOM 343 N LEU A 24 -1.625 1.298 -1.281 1.00 0.00 N ATOM 344 CA LEU A 24 -0.832 1.690 -2.440 1.00 0.00 C ATOM 345 C LEU A 24 -1.098 0.680 -3.549 1.00 0.00 C ATOM 346 O LEU A 24 -0.580 -0.431 -3.484 1.00 0.00 O ATOM 347 CB LEU A 24 0.650 1.750 -2.042 1.00 0.00 C ATOM 348 CG LEU A 24 1.633 2.262 -3.112 1.00 0.00 C ATOM 349 CD1 LEU A 24 2.012 1.217 -4.167 1.00 0.00 C ATOM 350 CD2 LEU A 24 1.146 3.540 -3.794 1.00 0.00 C ATOM 0 H LEU A 24 -1.225 0.514 -0.765 1.00 0.00 H new ATOM 0 HA LEU A 24 -1.106 2.681 -2.802 1.00 0.00 H new ATOM 0 HB2 LEU A 24 0.741 2.388 -1.163 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.963 0.750 -1.743 1.00 0.00 H new ATOM 0 HG LEU A 24 2.539 2.489 -2.550 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.707 1.657 -4.882 1.00 0.00 H new ATOM 0 HD12 LEU A 24 2.485 0.364 -3.681 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.115 0.885 -4.690 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.877 3.856 -4.538 1.00 0.00 H new ATOM 0 HD22 LEU A 24 0.190 3.350 -4.282 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.024 4.326 -3.049 1.00 0.00 H new ATOM 362 N VAL A 25 -1.892 1.053 -4.555 1.00 0.00 N ATOM 363 CA VAL A 25 -2.222 0.172 -5.667 1.00 0.00 C ATOM 364 C VAL A 25 -1.205 0.344 -6.791 1.00 0.00 C ATOM 365 O VAL A 25 -1.171 1.395 -7.433 1.00 0.00 O ATOM 366 CB VAL A 25 -3.638 0.435 -6.202 1.00 0.00 C ATOM 367 CG1 VAL A 25 -3.979 -0.606 -7.280 1.00 0.00 C ATOM 368 CG2 VAL A 25 -4.689 0.363 -5.092 1.00 0.00 C ATOM 0 H VAL A 25 -2.322 1.976 -4.618 1.00 0.00 H new ATOM 0 HA VAL A 25 -2.189 -0.853 -5.296 1.00 0.00 H new ATOM 0 HB VAL A 25 -3.653 1.441 -6.620 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -4.984 -0.420 -7.660 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -3.262 -0.531 -8.098 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.934 -1.606 -6.848 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -5.676 0.555 -5.513 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -4.674 -0.629 -4.640 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.467 1.112 -4.332 1.00 0.00 H new ATOM 378 N ASP A 26 -0.420 -0.703 -7.047 1.00 0.00 N ATOM 379 CA ASP A 26 0.525 -0.771 -8.146 1.00 0.00 C ATOM 380 C ASP A 26 -0.152 -1.462 -9.331 1.00 0.00 C ATOM 381 O ASP A 26 -0.345 -2.679 -9.320 1.00 0.00 O ATOM 382 CB ASP A 26 1.787 -1.534 -7.732 1.00 0.00 C ATOM 383 CG ASP A 26 2.620 -1.897 -8.956 1.00 0.00 C ATOM 384 OD1 ASP A 26 3.097 -3.019 -9.082 1.00 0.00 O ATOM 385 OD2 ASP A 26 2.781 -0.954 -9.919 1.00 0.00 O ATOM 0 H ASP A 26 -0.429 -1.548 -6.475 1.00 0.00 H new ATOM 0 HA ASP A 26 0.827 0.238 -8.429 1.00 0.00 H new ATOM 0 HB2 ASP A 26 2.380 -0.925 -7.050 1.00 0.00 H new ATOM 0 HB3 ASP A 26 1.510 -2.440 -7.192 1.00 0.00 H new ATOM 391 N PHE A 27 -0.476 -0.694 -10.364 1.00 0.00 N ATOM 392 CA PHE A 27 -1.048 -1.219 -11.587 1.00 0.00 C ATOM 393 C PHE A 27 0.102 -1.791 -12.414 1.00 0.00 C ATOM 394 O PHE A 27 1.068 -1.074 -12.677 1.00 0.00 O ATOM 395 CB PHE A 27 -1.776 -0.099 -12.334 1.00 0.00 C ATOM 396 CG PHE A 27 -3.069 0.337 -11.670 1.00 0.00 C ATOM 397 CD1 PHE A 27 -3.055 1.144 -10.517 1.00 0.00 C ATOM 398 CD2 PHE A 27 -4.297 -0.098 -12.195 1.00 0.00 C ATOM 399 CE1 PHE A 27 -4.263 1.513 -9.902 1.00 0.00 C ATOM 400 CE2 PHE A 27 -5.505 0.302 -11.601 1.00 0.00 C ATOM 401 CZ PHE A 27 -5.491 1.105 -10.449 1.00 0.00 C ATOM 0 H PHE A 27 -0.346 0.318 -10.372 1.00 0.00 H new ATOM 0 HA PHE A 27 -1.779 -2.002 -11.386 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -1.112 0.762 -12.417 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -1.993 -0.433 -13.349 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -2.115 1.480 -10.105 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -4.312 -0.744 -13.060 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -4.248 2.113 -9.004 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -6.446 -0.008 -12.031 1.00 0.00 H new ATOM 0 HZ PHE A 27 -6.419 1.407 -9.986 1.00 0.00 H new ATOM 411 N TRP A 28 0.016 -3.068 -12.802 1.00 0.00 N ATOM 412 CA TRP A 28 1.057 -3.754 -13.558 1.00 0.00 C ATOM 413 C TRP A 28 0.460 -4.720 -14.582 1.00 0.00 C ATOM 414 O TRP A 28 -0.759 -4.844 -14.687 1.00 0.00 O ATOM 415 CB TRP A 28 2.012 -4.462 -12.586 1.00 0.00 C ATOM 416 CG TRP A 28 1.492 -5.700 -11.926 1.00 0.00 C ATOM 417 CD1 TRP A 28 0.564 -5.748 -10.945 1.00 0.00 C ATOM 418 CD2 TRP A 28 1.853 -7.088 -12.198 1.00 0.00 C ATOM 419 NE1 TRP A 28 0.295 -7.063 -10.626 1.00 0.00 N ATOM 420 CE2 TRP A 28 1.042 -7.935 -11.387 1.00 0.00 C ATOM 421 CE3 TRP A 28 2.796 -7.719 -13.035 1.00 0.00 C ATOM 422 CZ2 TRP A 28 1.120 -9.334 -11.448 1.00 0.00 C ATOM 423 CZ3 TRP A 28 2.902 -9.120 -13.085 1.00 0.00 C ATOM 424 CH2 TRP A 28 2.041 -9.929 -12.325 1.00 0.00 C ATOM 0 H TRP A 28 -0.790 -3.657 -12.595 1.00 0.00 H new ATOM 0 HA TRP A 28 1.627 -3.019 -14.127 1.00 0.00 H new ATOM 0 HB2 TRP A 28 2.922 -4.720 -13.128 1.00 0.00 H new ATOM 0 HB3 TRP A 28 2.295 -3.753 -11.808 1.00 0.00 H new ATOM 0 HD1 TRP A 28 0.103 -4.888 -10.481 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -0.375 -7.354 -9.914 1.00 0.00 H new ATOM 0 HE3 TRP A 28 3.448 -7.115 -13.649 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 0.480 -9.945 -10.829 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 3.652 -9.578 -13.713 1.00 0.00 H new ATOM 0 HH2 TRP A 28 2.087 -11.004 -12.415 1.00 0.00 H new ATOM 435 N ALA A 29 1.334 -5.406 -15.326 1.00 0.00 N ATOM 436 CA ALA A 29 0.998 -6.395 -16.344 1.00 0.00 C ATOM 437 C ALA A 29 2.113 -7.436 -16.396 1.00 0.00 C ATOM 438 O ALA A 29 3.264 -7.100 -16.129 1.00 0.00 O ATOM 439 CB ALA A 29 0.883 -5.719 -17.711 1.00 0.00 C ATOM 0 H ALA A 29 2.341 -5.277 -15.227 1.00 0.00 H new ATOM 0 HA ALA A 29 0.046 -6.866 -16.097 1.00 0.00 H new ATOM 0 HB1 ALA A 29 0.632 -6.464 -18.466 1.00 0.00 H new ATOM 0 HB2 ALA A 29 0.102 -4.960 -17.677 1.00 0.00 H new ATOM 0 HB3 ALA A 29 1.833 -5.250 -17.966 1.00 0.00 H new ATOM 445 N GLU A 30 1.799 -8.682 -16.767 1.00 0.00 N ATOM 446 CA GLU A 30 2.774 -9.767 -16.853 1.00 0.00 C ATOM 447 C GLU A 30 3.977 -9.373 -17.717 1.00 0.00 C ATOM 448 O GLU A 30 5.122 -9.653 -17.374 1.00 0.00 O ATOM 449 CB GLU A 30 2.124 -11.052 -17.394 1.00 0.00 C ATOM 450 CG GLU A 30 1.020 -11.638 -16.496 1.00 0.00 C ATOM 451 CD GLU A 30 -0.391 -11.193 -16.880 1.00 0.00 C ATOM 452 OE1 GLU A 30 -0.552 -9.980 -17.137 1.00 0.00 O ATOM 453 OE2 GLU A 30 -1.290 -12.060 -16.875 1.00 0.00 O ATOM 0 H GLU A 30 0.852 -8.965 -17.018 1.00 0.00 H new ATOM 0 HA GLU A 30 3.134 -9.961 -15.842 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.702 -10.844 -18.377 1.00 0.00 H new ATOM 0 HB3 GLU A 30 2.899 -11.805 -17.533 1.00 0.00 H new ATOM 0 HG2 GLU A 30 1.071 -12.726 -16.537 1.00 0.00 H new ATOM 0 HG3 GLU A 30 1.213 -11.348 -15.463 1.00 0.00 H new ATOM 460 N TRP A 31 3.701 -8.722 -18.847 1.00 0.00 N ATOM 461 CA TRP A 31 4.705 -8.277 -19.804 1.00 0.00 C ATOM 462 C TRP A 31 5.407 -6.982 -19.370 1.00 0.00 C ATOM 463 O TRP A 31 6.361 -6.551 -20.018 1.00 0.00 O ATOM 464 CB TRP A 31 4.025 -8.117 -21.171 1.00 0.00 C ATOM 465 CG TRP A 31 2.727 -7.360 -21.172 1.00 0.00 C ATOM 466 CD1 TRP A 31 1.497 -7.923 -21.145 1.00 0.00 C ATOM 467 CD2 TRP A 31 2.503 -5.916 -21.176 1.00 0.00 C ATOM 468 NE1 TRP A 31 0.534 -6.937 -21.122 1.00 0.00 N ATOM 469 CE2 TRP A 31 1.096 -5.679 -21.155 1.00 0.00 C ATOM 470 CE3 TRP A 31 3.344 -4.782 -21.190 1.00 0.00 C ATOM 471 CZ2 TRP A 31 0.552 -4.386 -21.153 1.00 0.00 C ATOM 472 CZ3 TRP A 31 2.808 -3.480 -21.186 1.00 0.00 C ATOM 473 CH2 TRP A 31 1.416 -3.280 -21.176 1.00 0.00 C ATOM 0 H TRP A 31 2.749 -8.485 -19.126 1.00 0.00 H new ATOM 0 HA TRP A 31 5.494 -9.027 -19.861 1.00 0.00 H new ATOM 0 HB2 TRP A 31 4.719 -7.612 -21.844 1.00 0.00 H new ATOM 0 HB3 TRP A 31 3.845 -9.109 -21.584 1.00 0.00 H new ATOM 0 HD1 TRP A 31 1.299 -8.985 -21.142 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -0.469 -7.116 -21.085 1.00 0.00 H new ATOM 0 HE3 TRP A 31 4.416 -4.915 -21.204 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -0.518 -4.243 -21.134 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 3.471 -2.628 -21.191 1.00 0.00 H new ATOM 0 HH2 TRP A 31 1.013 -2.278 -21.186 1.00 0.00 H new ATOM 484 N CYS A 32 4.966 -6.337 -18.285 1.00 0.00 N ATOM 485 CA CYS A 32 5.563 -5.084 -17.849 1.00 0.00 C ATOM 486 C CYS A 32 6.864 -5.329 -17.086 1.00 0.00 C ATOM 487 O CYS A 32 6.899 -5.300 -15.855 1.00 0.00 O ATOM 488 CB CYS A 32 4.580 -4.286 -17.003 1.00 0.00 C ATOM 489 SG CYS A 32 5.242 -2.704 -16.446 1.00 0.00 S ATOM 0 H CYS A 32 4.199 -6.666 -17.698 1.00 0.00 H new ATOM 0 HA CYS A 32 5.803 -4.499 -18.737 1.00 0.00 H new ATOM 0 HB2 CYS A 32 3.673 -4.109 -17.581 1.00 0.00 H new ATOM 0 HB3 CYS A 32 4.294 -4.879 -16.134 1.00 0.00 H new ATOM 494 N GLY A 33 7.949 -5.547 -17.833 1.00 0.00 N ATOM 495 CA GLY A 33 9.289 -5.719 -17.283 1.00 0.00 C ATOM 496 C GLY A 33 9.572 -4.694 -16.178 1.00 0.00 C ATOM 497 O GLY A 33 9.821 -5.086 -15.040 1.00 0.00 O ATOM 0 H GLY A 33 7.917 -5.609 -18.851 1.00 0.00 H new ATOM 0 HA2 GLY A 33 9.394 -6.727 -16.882 1.00 0.00 H new ATOM 0 HA3 GLY A 33 10.027 -5.614 -18.078 1.00 0.00 H new ATOM 501 N PRO A 34 9.505 -3.382 -16.471 1.00 0.00 N ATOM 502 CA PRO A 34 9.716 -2.327 -15.486 1.00 0.00 C ATOM 503 C PRO A 34 8.881 -2.500 -14.210 1.00 0.00 C ATOM 504 O PRO A 34 9.339 -2.154 -13.125 1.00 0.00 O ATOM 505 CB PRO A 34 9.379 -1.019 -16.204 1.00 0.00 C ATOM 506 CG PRO A 34 9.672 -1.343 -17.667 1.00 0.00 C ATOM 507 CD PRO A 34 9.230 -2.802 -17.776 1.00 0.00 C ATOM 0 HA PRO A 34 10.746 -2.349 -15.131 1.00 0.00 H new ATOM 0 HB2 PRO A 34 8.338 -0.734 -16.055 1.00 0.00 H new ATOM 0 HB3 PRO A 34 9.991 -0.192 -15.844 1.00 0.00 H new ATOM 0 HG2 PRO A 34 9.114 -0.698 -18.345 1.00 0.00 H new ATOM 0 HG3 PRO A 34 10.728 -1.220 -17.907 1.00 0.00 H new ATOM 0 HD2 PRO A 34 8.171 -2.875 -18.024 1.00 0.00 H new ATOM 0 HD3 PRO A 34 9.778 -3.322 -18.562 1.00 0.00 H new ATOM 515 N CYS A 35 7.668 -3.053 -14.318 1.00 0.00 N ATOM 516 CA CYS A 35 6.818 -3.286 -13.159 1.00 0.00 C ATOM 517 C CYS A 35 7.440 -4.403 -12.332 1.00 0.00 C ATOM 518 O CYS A 35 7.647 -4.258 -11.129 1.00 0.00 O ATOM 519 CB CYS A 35 5.378 -3.669 -13.523 1.00 0.00 C ATOM 520 SG CYS A 35 4.402 -2.547 -14.554 1.00 0.00 S ATOM 0 H CYS A 35 7.257 -3.347 -15.204 1.00 0.00 H new ATOM 0 HA CYS A 35 6.757 -2.351 -12.602 1.00 0.00 H new ATOM 0 HB2 CYS A 35 5.413 -4.634 -14.029 1.00 0.00 H new ATOM 0 HB3 CYS A 35 4.832 -3.817 -12.591 1.00 0.00 H new ATOM 525 N LYS A 36 7.764 -5.521 -12.987 1.00 0.00 N ATOM 526 CA LYS A 36 8.400 -6.649 -12.321 1.00 0.00 C ATOM 527 C LYS A 36 9.680 -6.181 -11.626 1.00 0.00 C ATOM 528 O LYS A 36 9.914 -6.526 -10.472 1.00 0.00 O ATOM 529 CB LYS A 36 8.669 -7.777 -13.319 1.00 0.00 C ATOM 530 CG LYS A 36 7.353 -8.353 -13.859 1.00 0.00 C ATOM 531 CD LYS A 36 7.579 -9.265 -15.070 1.00 0.00 C ATOM 532 CE LYS A 36 8.550 -10.422 -14.809 1.00 0.00 C ATOM 533 NZ LYS A 36 8.113 -11.266 -13.683 1.00 0.00 N ATOM 0 H LYS A 36 7.593 -5.664 -13.982 1.00 0.00 H new ATOM 0 HA LYS A 36 7.731 -7.048 -11.559 1.00 0.00 H new ATOM 0 HB2 LYS A 36 9.273 -7.401 -14.145 1.00 0.00 H new ATOM 0 HB3 LYS A 36 9.245 -8.566 -12.836 1.00 0.00 H new ATOM 0 HG2 LYS A 36 6.853 -8.915 -13.070 1.00 0.00 H new ATOM 0 HG3 LYS A 36 6.688 -7.536 -14.139 1.00 0.00 H new ATOM 0 HD2 LYS A 36 6.620 -9.674 -15.387 1.00 0.00 H new ATOM 0 HD3 LYS A 36 7.959 -8.665 -15.897 1.00 0.00 H new ATOM 0 HE2 LYS A 36 8.636 -11.033 -15.708 1.00 0.00 H new ATOM 0 HE3 LYS A 36 9.542 -10.022 -14.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 8.770 -12.065 -13.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 8.104 -10.702 -12.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 7.156 -11.628 -13.871 1.00 0.00 H new ATOM 547 N MET A 37 10.484 -5.359 -12.306 1.00 0.00 N ATOM 548 CA MET A 37 11.708 -4.799 -11.747 1.00 0.00 C ATOM 549 C MET A 37 11.458 -4.060 -10.425 1.00 0.00 C ATOM 550 O MET A 37 12.346 -4.062 -9.575 1.00 0.00 O ATOM 551 CB MET A 37 12.417 -3.902 -12.773 1.00 0.00 C ATOM 552 CG MET A 37 13.411 -4.680 -13.648 1.00 0.00 C ATOM 553 SD MET A 37 12.741 -6.041 -14.640 1.00 0.00 S ATOM 554 CE MET A 37 14.259 -6.637 -15.416 1.00 0.00 C ATOM 0 H MET A 37 10.299 -5.064 -13.265 1.00 0.00 H new ATOM 0 HA MET A 37 12.370 -5.633 -11.514 1.00 0.00 H new ATOM 0 HB2 MET A 37 11.672 -3.426 -13.411 1.00 0.00 H new ATOM 0 HB3 MET A 37 12.945 -3.105 -12.250 1.00 0.00 H new ATOM 0 HG2 MET A 37 13.893 -3.973 -14.324 1.00 0.00 H new ATOM 0 HG3 MET A 37 14.189 -5.084 -13.000 1.00 0.00 H new ATOM 0 HE1 MET A 37 14.028 -7.481 -16.066 1.00 0.00 H new ATOM 0 HE2 MET A 37 14.705 -5.836 -16.006 1.00 0.00 H new ATOM 0 HE3 MET A 37 14.961 -6.954 -14.645 1.00 0.00 H new ATOM 564 N ILE A 38 10.279 -3.451 -10.218 1.00 0.00 N ATOM 565 CA ILE A 38 9.972 -2.782 -8.954 1.00 0.00 C ATOM 566 C ILE A 38 9.248 -3.709 -7.968 1.00 0.00 C ATOM 567 O ILE A 38 9.006 -3.304 -6.833 1.00 0.00 O ATOM 568 CB ILE A 38 9.257 -1.430 -9.147 1.00 0.00 C ATOM 569 CG1 ILE A 38 7.829 -1.566 -9.689 1.00 0.00 C ATOM 570 CG2 ILE A 38 10.095 -0.518 -10.052 1.00 0.00 C ATOM 571 CD1 ILE A 38 6.995 -0.299 -9.478 1.00 0.00 C ATOM 0 H ILE A 38 9.530 -3.411 -10.909 1.00 0.00 H new ATOM 0 HA ILE A 38 10.931 -2.539 -8.496 1.00 0.00 H new ATOM 0 HB ILE A 38 9.162 -0.981 -8.158 1.00 0.00 H new ATOM 0 HG12 ILE A 38 7.869 -1.797 -10.754 1.00 0.00 H new ATOM 0 HG13 ILE A 38 7.337 -2.406 -9.199 1.00 0.00 H new ATOM 0 HG21 ILE A 38 9.582 0.435 -10.183 1.00 0.00 H new ATOM 0 HG22 ILE A 38 11.069 -0.346 -9.594 1.00 0.00 H new ATOM 0 HG23 ILE A 38 10.230 -0.994 -11.023 1.00 0.00 H new ATOM 0 HD11 ILE A 38 5.994 -0.451 -9.880 1.00 0.00 H new ATOM 0 HD12 ILE A 38 6.928 -0.081 -8.412 1.00 0.00 H new ATOM 0 HD13 ILE A 38 7.469 0.538 -9.991 1.00 0.00 H new ATOM 583 N ALA A 39 8.920 -4.951 -8.342 1.00 0.00 N ATOM 584 CA ALA A 39 8.288 -5.880 -7.409 1.00 0.00 C ATOM 585 C ALA A 39 9.127 -6.032 -6.130 1.00 0.00 C ATOM 586 O ALA A 39 8.567 -5.862 -5.051 1.00 0.00 O ATOM 587 CB ALA A 39 7.903 -7.207 -8.074 1.00 0.00 C ATOM 0 H ALA A 39 9.081 -5.330 -9.275 1.00 0.00 H new ATOM 0 HA ALA A 39 7.337 -5.451 -7.095 1.00 0.00 H new ATOM 0 HB1 ALA A 39 7.437 -7.861 -7.337 1.00 0.00 H new ATOM 0 HB2 ALA A 39 7.201 -7.017 -8.886 1.00 0.00 H new ATOM 0 HB3 ALA A 39 8.797 -7.687 -8.472 1.00 0.00 H new ATOM 593 N PRO A 40 10.449 -6.295 -6.195 1.00 0.00 N ATOM 594 CA PRO A 40 11.292 -6.358 -5.007 1.00 0.00 C ATOM 595 C PRO A 40 11.150 -5.092 -4.154 1.00 0.00 C ATOM 596 O PRO A 40 10.953 -5.175 -2.946 1.00 0.00 O ATOM 597 CB PRO A 40 12.729 -6.534 -5.511 1.00 0.00 C ATOM 598 CG PRO A 40 12.538 -7.186 -6.878 1.00 0.00 C ATOM 599 CD PRO A 40 11.260 -6.519 -7.381 1.00 0.00 C ATOM 0 HA PRO A 40 10.999 -7.186 -4.362 1.00 0.00 H new ATOM 0 HB2 PRO A 40 13.249 -5.579 -5.589 1.00 0.00 H new ATOM 0 HB3 PRO A 40 13.317 -7.163 -4.843 1.00 0.00 H new ATOM 0 HG2 PRO A 40 13.383 -6.997 -7.540 1.00 0.00 H new ATOM 0 HG3 PRO A 40 12.429 -8.268 -6.801 1.00 0.00 H new ATOM 0 HD2 PRO A 40 11.481 -5.580 -7.889 1.00 0.00 H new ATOM 0 HD3 PRO A 40 10.741 -7.155 -8.098 1.00 0.00 H new ATOM 607 N ILE A 41 11.218 -3.916 -4.785 1.00 0.00 N ATOM 608 CA ILE A 41 11.057 -2.638 -4.103 1.00 0.00 C ATOM 609 C ILE A 41 9.722 -2.628 -3.348 1.00 0.00 C ATOM 610 O ILE A 41 9.686 -2.365 -2.146 1.00 0.00 O ATOM 611 CB ILE A 41 11.207 -1.485 -5.123 1.00 0.00 C ATOM 612 CG1 ILE A 41 12.689 -1.336 -5.513 1.00 0.00 C ATOM 613 CG2 ILE A 41 10.621 -0.170 -4.597 1.00 0.00 C ATOM 614 CD1 ILE A 41 12.907 -0.362 -6.676 1.00 0.00 C ATOM 0 H ILE A 41 11.387 -3.828 -5.787 1.00 0.00 H new ATOM 0 HA ILE A 41 11.837 -2.491 -3.356 1.00 0.00 H new ATOM 0 HB ILE A 41 10.632 -1.734 -6.015 1.00 0.00 H new ATOM 0 HG12 ILE A 41 13.254 -0.991 -4.647 1.00 0.00 H new ATOM 0 HG13 ILE A 41 13.087 -2.313 -5.785 1.00 0.00 H new ATOM 0 HG21 ILE A 41 10.749 0.611 -5.347 1.00 0.00 H new ATOM 0 HG22 ILE A 41 9.559 -0.302 -4.388 1.00 0.00 H new ATOM 0 HG23 ILE A 41 11.137 0.118 -3.681 1.00 0.00 H new ATOM 0 HD11 ILE A 41 13.971 -0.300 -6.904 1.00 0.00 H new ATOM 0 HD12 ILE A 41 12.368 -0.717 -7.554 1.00 0.00 H new ATOM 0 HD13 ILE A 41 12.537 0.625 -6.398 1.00 0.00 H new ATOM 626 N LEU A 42 8.622 -2.934 -4.041 1.00 0.00 N ATOM 627 CA LEU A 42 7.298 -2.980 -3.434 1.00 0.00 C ATOM 628 C LEU A 42 7.263 -3.992 -2.280 1.00 0.00 C ATOM 629 O LEU A 42 6.672 -3.713 -1.240 1.00 0.00 O ATOM 630 CB LEU A 42 6.237 -3.297 -4.498 1.00 0.00 C ATOM 631 CG LEU A 42 6.082 -2.195 -5.562 1.00 0.00 C ATOM 632 CD1 LEU A 42 5.287 -2.738 -6.752 1.00 0.00 C ATOM 633 CD2 LEU A 42 5.358 -0.962 -5.005 1.00 0.00 C ATOM 0 H LEU A 42 8.629 -3.156 -5.037 1.00 0.00 H new ATOM 0 HA LEU A 42 7.069 -2.001 -3.014 1.00 0.00 H new ATOM 0 HB2 LEU A 42 6.498 -4.233 -4.992 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.277 -3.453 -4.006 1.00 0.00 H new ATOM 0 HG LEU A 42 7.083 -1.895 -5.873 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.178 -1.956 -7.504 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.815 -3.588 -7.185 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.301 -3.057 -6.415 1.00 0.00 H new ATOM 0 HD21 LEU A 42 5.269 -0.208 -5.787 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.364 -1.248 -4.662 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.926 -0.553 -4.170 1.00 0.00 H new ATOM 645 N ASP A 43 7.901 -5.155 -2.442 1.00 0.00 N ATOM 646 CA ASP A 43 7.970 -6.192 -1.415 1.00 0.00 C ATOM 647 C ASP A 43 8.664 -5.637 -0.165 1.00 0.00 C ATOM 648 O ASP A 43 8.160 -5.747 0.952 1.00 0.00 O ATOM 649 CB ASP A 43 8.719 -7.427 -1.943 1.00 0.00 C ATOM 650 CG ASP A 43 8.063 -8.106 -3.145 1.00 0.00 C ATOM 651 OD1 ASP A 43 6.846 -7.905 -3.343 1.00 0.00 O ATOM 652 OD2 ASP A 43 8.801 -8.829 -3.850 1.00 0.00 O ATOM 0 H ASP A 43 8.390 -5.403 -3.302 1.00 0.00 H new ATOM 0 HA ASP A 43 6.957 -6.497 -1.153 1.00 0.00 H new ATOM 0 HB2 ASP A 43 9.731 -7.131 -2.218 1.00 0.00 H new ATOM 0 HB3 ASP A 43 8.808 -8.154 -1.136 1.00 0.00 H new ATOM 657 N GLU A 44 9.832 -5.021 -0.360 1.00 0.00 N ATOM 658 CA GLU A 44 10.604 -4.406 0.709 1.00 0.00 C ATOM 659 C GLU A 44 9.738 -3.368 1.425 1.00 0.00 C ATOM 660 O GLU A 44 9.613 -3.402 2.647 1.00 0.00 O ATOM 661 CB GLU A 44 11.878 -3.782 0.129 1.00 0.00 C ATOM 662 CG GLU A 44 12.865 -4.856 -0.347 1.00 0.00 C ATOM 663 CD GLU A 44 13.946 -4.250 -1.237 1.00 0.00 C ATOM 664 OE1 GLU A 44 14.675 -3.374 -0.723 1.00 0.00 O ATOM 665 OE2 GLU A 44 14.017 -4.658 -2.417 1.00 0.00 O ATOM 0 H GLU A 44 10.269 -4.937 -1.278 1.00 0.00 H new ATOM 0 HA GLU A 44 10.905 -5.157 1.440 1.00 0.00 H new ATOM 0 HB2 GLU A 44 11.618 -3.130 -0.705 1.00 0.00 H new ATOM 0 HB3 GLU A 44 12.355 -3.158 0.885 1.00 0.00 H new ATOM 0 HG2 GLU A 44 13.327 -5.338 0.515 1.00 0.00 H new ATOM 0 HG3 GLU A 44 12.329 -5.630 -0.896 1.00 0.00 H new ATOM 672 N ILE A 45 9.106 -2.468 0.664 1.00 0.00 N ATOM 673 CA ILE A 45 8.201 -1.477 1.231 1.00 0.00 C ATOM 674 C ILE A 45 7.113 -2.176 2.049 1.00 0.00 C ATOM 675 O ILE A 45 6.859 -1.780 3.184 1.00 0.00 O ATOM 676 CB ILE A 45 7.610 -0.586 0.124 1.00 0.00 C ATOM 677 CG1 ILE A 45 8.656 0.356 -0.501 1.00 0.00 C ATOM 678 CG2 ILE A 45 6.390 0.215 0.601 1.00 0.00 C ATOM 679 CD1 ILE A 45 9.275 1.392 0.444 1.00 0.00 C ATOM 0 H ILE A 45 9.209 -2.410 -0.349 1.00 0.00 H new ATOM 0 HA ILE A 45 8.756 -0.823 1.903 1.00 0.00 H new ATOM 0 HB ILE A 45 7.276 -1.275 -0.652 1.00 0.00 H new ATOM 0 HG12 ILE A 45 9.459 -0.251 -0.919 1.00 0.00 H new ATOM 0 HG13 ILE A 45 8.190 0.884 -1.332 1.00 0.00 H new ATOM 0 HG21 ILE A 45 6.013 0.826 -0.219 1.00 0.00 H new ATOM 0 HG22 ILE A 45 5.610 -0.472 0.930 1.00 0.00 H new ATOM 0 HG23 ILE A 45 6.680 0.860 1.431 1.00 0.00 H new ATOM 0 HD11 ILE A 45 9.996 1.999 -0.104 1.00 0.00 H new ATOM 0 HD12 ILE A 45 8.490 2.034 0.844 1.00 0.00 H new ATOM 0 HD13 ILE A 45 9.779 0.881 1.264 1.00 0.00 H new ATOM 691 N ALA A 46 6.471 -3.207 1.493 1.00 0.00 N ATOM 692 CA ALA A 46 5.420 -3.946 2.182 1.00 0.00 C ATOM 693 C ALA A 46 5.914 -4.435 3.538 1.00 0.00 C ATOM 694 O ALA A 46 5.225 -4.266 4.542 1.00 0.00 O ATOM 695 CB ALA A 46 4.918 -5.111 1.322 1.00 0.00 C ATOM 0 H ALA A 46 6.668 -3.550 0.553 1.00 0.00 H new ATOM 0 HA ALA A 46 4.579 -3.273 2.351 1.00 0.00 H new ATOM 0 HB1 ALA A 46 4.134 -5.647 1.857 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.518 -4.725 0.384 1.00 0.00 H new ATOM 0 HB3 ALA A 46 5.744 -5.790 1.112 1.00 0.00 H new ATOM 701 N ASP A 47 7.109 -5.030 3.568 1.00 0.00 N ATOM 702 CA ASP A 47 7.700 -5.523 4.803 1.00 0.00 C ATOM 703 C ASP A 47 7.970 -4.382 5.790 1.00 0.00 C ATOM 704 O ASP A 47 7.621 -4.470 6.965 1.00 0.00 O ATOM 705 CB ASP A 47 8.989 -6.282 4.483 1.00 0.00 C ATOM 706 CG ASP A 47 9.534 -6.967 5.730 1.00 0.00 C ATOM 707 OD1 ASP A 47 8.997 -8.048 6.056 1.00 0.00 O ATOM 708 OD2 ASP A 47 10.469 -6.397 6.332 1.00 0.00 O ATOM 0 H ASP A 47 7.686 -5.180 2.741 1.00 0.00 H new ATOM 0 HA ASP A 47 6.993 -6.201 5.281 1.00 0.00 H new ATOM 0 HB2 ASP A 47 8.797 -7.025 3.709 1.00 0.00 H new ATOM 0 HB3 ASP A 47 9.734 -5.592 4.086 1.00 0.00 H new ATOM 713 N GLU A 48 8.611 -3.314 5.317 1.00 0.00 N ATOM 714 CA GLU A 48 8.989 -2.172 6.134 1.00 0.00 C ATOM 715 C GLU A 48 7.791 -1.433 6.738 1.00 0.00 C ATOM 716 O GLU A 48 7.785 -1.115 7.923 1.00 0.00 O ATOM 717 CB GLU A 48 9.809 -1.209 5.268 1.00 0.00 C ATOM 718 CG GLU A 48 11.199 -1.759 4.925 1.00 0.00 C ATOM 719 CD GLU A 48 11.841 -0.953 3.800 1.00 0.00 C ATOM 720 OE1 GLU A 48 11.633 0.280 3.780 1.00 0.00 O ATOM 721 OE2 GLU A 48 12.524 -1.580 2.961 1.00 0.00 O ATOM 0 H GLU A 48 8.885 -3.221 4.339 1.00 0.00 H new ATOM 0 HA GLU A 48 9.572 -2.546 6.976 1.00 0.00 H new ATOM 0 HB2 GLU A 48 9.266 -1.004 4.345 1.00 0.00 H new ATOM 0 HB3 GLU A 48 9.918 -0.259 5.791 1.00 0.00 H new ATOM 0 HG2 GLU A 48 11.835 -1.727 5.809 1.00 0.00 H new ATOM 0 HG3 GLU A 48 11.118 -2.805 4.628 1.00 0.00 H new ATOM 728 N TYR A 49 6.800 -1.114 5.908 1.00 0.00 N ATOM 729 CA TYR A 49 5.644 -0.308 6.284 1.00 0.00 C ATOM 730 C TYR A 49 4.460 -1.144 6.785 1.00 0.00 C ATOM 731 O TYR A 49 3.316 -0.699 6.692 1.00 0.00 O ATOM 732 CB TYR A 49 5.252 0.601 5.104 1.00 0.00 C ATOM 733 CG TYR A 49 6.205 1.751 4.816 1.00 0.00 C ATOM 734 CD1 TYR A 49 7.403 1.529 4.115 1.00 0.00 C ATOM 735 CD2 TYR A 49 5.854 3.063 5.188 1.00 0.00 C ATOM 736 CE1 TYR A 49 8.245 2.605 3.786 1.00 0.00 C ATOM 737 CE2 TYR A 49 6.686 4.142 4.844 1.00 0.00 C ATOM 738 CZ TYR A 49 7.875 3.915 4.134 1.00 0.00 C ATOM 739 OH TYR A 49 8.658 4.970 3.769 1.00 0.00 O ATOM 0 H TYR A 49 6.779 -1.416 4.934 1.00 0.00 H new ATOM 0 HA TYR A 49 5.929 0.311 7.134 1.00 0.00 H new ATOM 0 HB2 TYR A 49 5.170 -0.013 4.207 1.00 0.00 H new ATOM 0 HB3 TYR A 49 4.262 1.013 5.299 1.00 0.00 H new ATOM 0 HD1 TYR A 49 7.678 0.525 3.827 1.00 0.00 H new ATOM 0 HD2 TYR A 49 4.943 3.241 5.739 1.00 0.00 H new ATOM 0 HE1 TYR A 49 9.175 2.425 3.267 1.00 0.00 H new ATOM 0 HE2 TYR A 49 6.410 5.147 5.126 1.00 0.00 H new ATOM 0 HH TYR A 49 8.254 5.803 4.090 1.00 0.00 H new ATOM 749 N GLN A 50 4.701 -2.330 7.355 1.00 0.00 N ATOM 750 CA GLN A 50 3.623 -3.133 7.914 1.00 0.00 C ATOM 751 C GLN A 50 2.818 -2.302 8.918 1.00 0.00 C ATOM 752 O GLN A 50 3.386 -1.667 9.804 1.00 0.00 O ATOM 753 CB GLN A 50 4.188 -4.386 8.596 1.00 0.00 C ATOM 754 CG GLN A 50 4.557 -5.500 7.612 1.00 0.00 C ATOM 755 CD GLN A 50 3.334 -6.064 6.897 1.00 0.00 C ATOM 756 OE1 GLN A 50 2.641 -6.928 7.428 1.00 0.00 O ATOM 757 NE2 GLN A 50 3.071 -5.611 5.676 1.00 0.00 N ATOM 0 H GLN A 50 5.628 -2.747 7.438 1.00 0.00 H new ATOM 0 HA GLN A 50 2.964 -3.447 7.105 1.00 0.00 H new ATOM 0 HB2 GLN A 50 5.073 -4.111 9.170 1.00 0.00 H new ATOM 0 HB3 GLN A 50 3.454 -4.767 9.306 1.00 0.00 H new ATOM 0 HG2 GLN A 50 5.261 -5.113 6.875 1.00 0.00 H new ATOM 0 HG3 GLN A 50 5.065 -6.302 8.147 1.00 0.00 H new ATOM 0 HE21 GLN A 50 3.664 -4.893 5.260 1.00 0.00 H new ATOM 0 HE22 GLN A 50 2.276 -5.981 5.155 1.00 0.00 H new ATOM 766 N GLY A 51 1.492 -2.271 8.754 1.00 0.00 N ATOM 767 CA GLY A 51 0.601 -1.507 9.616 1.00 0.00 C ATOM 768 C GLY A 51 0.529 -0.022 9.245 1.00 0.00 C ATOM 769 O GLY A 51 -0.406 0.656 9.661 1.00 0.00 O ATOM 0 H GLY A 51 1.009 -2.780 8.014 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -0.400 -1.936 9.565 1.00 0.00 H new ATOM 0 HA3 GLY A 51 0.936 -1.601 10.649 1.00 0.00 H new ATOM 773 N LYS A 52 1.486 0.491 8.463 1.00 0.00 N ATOM 774 CA LYS A 52 1.530 1.886 8.043 1.00 0.00 C ATOM 775 C LYS A 52 0.985 2.026 6.622 1.00 0.00 C ATOM 776 O LYS A 52 0.254 2.972 6.334 1.00 0.00 O ATOM 777 CB LYS A 52 2.971 2.408 8.110 1.00 0.00 C ATOM 778 CG LYS A 52 3.560 2.306 9.524 1.00 0.00 C ATOM 779 CD LYS A 52 5.020 2.785 9.579 1.00 0.00 C ATOM 780 CE LYS A 52 5.225 4.242 9.135 1.00 0.00 C ATOM 781 NZ LYS A 52 4.376 5.176 9.897 1.00 0.00 N ATOM 0 H LYS A 52 2.261 -0.065 8.102 1.00 0.00 H new ATOM 0 HA LYS A 52 0.908 2.477 8.716 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.593 1.841 7.417 1.00 0.00 H new ATOM 0 HB3 LYS A 52 2.995 3.447 7.783 1.00 0.00 H new ATOM 0 HG2 LYS A 52 2.958 2.901 10.211 1.00 0.00 H new ATOM 0 HG3 LYS A 52 3.505 1.272 9.865 1.00 0.00 H new ATOM 0 HD2 LYS A 52 5.389 2.673 10.599 1.00 0.00 H new ATOM 0 HD3 LYS A 52 5.627 2.136 8.947 1.00 0.00 H new ATOM 0 HE2 LYS A 52 6.272 4.516 9.264 1.00 0.00 H new ATOM 0 HE3 LYS A 52 5.000 4.332 8.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 4.594 6.153 9.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 3.375 4.974 9.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 4.560 5.061 10.914 1.00 0.00 H new ATOM 795 N LEU A 53 1.351 1.100 5.732 1.00 0.00 N ATOM 796 CA LEU A 53 0.949 1.118 4.335 1.00 0.00 C ATOM 797 C LEU A 53 0.628 -0.303 3.886 1.00 0.00 C ATOM 798 O LEU A 53 1.412 -1.221 4.123 1.00 0.00 O ATOM 799 CB LEU A 53 2.114 1.661 3.499 1.00 0.00 C ATOM 800 CG LEU A 53 1.756 1.908 2.027 1.00 0.00 C ATOM 801 CD1 LEU A 53 1.035 3.249 1.871 1.00 0.00 C ATOM 802 CD2 LEU A 53 3.051 1.913 1.213 1.00 0.00 C ATOM 0 H LEU A 53 1.945 0.306 5.972 1.00 0.00 H new ATOM 0 HA LEU A 53 0.069 1.747 4.206 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.462 2.595 3.941 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.944 0.956 3.548 1.00 0.00 H new ATOM 0 HG LEU A 53 1.090 1.122 1.671 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.788 3.409 0.822 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.119 3.241 2.462 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.684 4.053 2.218 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.820 2.087 0.162 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.706 2.705 1.576 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.551 0.951 1.320 1.00 0.00 H new ATOM 814 N THR A 54 -0.501 -0.478 3.204 1.00 0.00 N ATOM 815 CA THR A 54 -0.904 -1.749 2.637 1.00 0.00 C ATOM 816 C THR A 54 -0.519 -1.709 1.159 1.00 0.00 C ATOM 817 O THR A 54 -1.137 -0.997 0.369 1.00 0.00 O ATOM 818 CB THR A 54 -2.407 -1.918 2.874 1.00 0.00 C ATOM 819 OG1 THR A 54 -2.634 -2.029 4.263 1.00 0.00 O ATOM 820 CG2 THR A 54 -2.991 -3.149 2.177 1.00 0.00 C ATOM 0 H THR A 54 -1.167 0.275 3.031 1.00 0.00 H new ATOM 0 HA THR A 54 -0.414 -2.609 3.094 1.00 0.00 H new ATOM 0 HB THR A 54 -2.904 -1.045 2.452 1.00 0.00 H new ATOM 0 HG1 THR A 54 -3.594 -2.136 4.430 1.00 0.00 H new ATOM 0 HG21 THR A 54 -4.059 -3.212 2.384 1.00 0.00 H new ATOM 0 HG22 THR A 54 -2.834 -3.067 1.101 1.00 0.00 H new ATOM 0 HG23 THR A 54 -2.496 -4.046 2.548 1.00 0.00 H new ATOM 828 N VAL A 55 0.512 -2.461 0.768 1.00 0.00 N ATOM 829 CA VAL A 55 0.931 -2.497 -0.620 1.00 0.00 C ATOM 830 C VAL A 55 -0.029 -3.432 -1.350 1.00 0.00 C ATOM 831 O VAL A 55 -0.353 -4.514 -0.859 1.00 0.00 O ATOM 832 CB VAL A 55 2.387 -2.972 -0.734 1.00 0.00 C ATOM 833 CG1 VAL A 55 2.868 -2.943 -2.188 1.00 0.00 C ATOM 834 CG2 VAL A 55 3.332 -2.073 0.065 1.00 0.00 C ATOM 0 H VAL A 55 1.064 -3.047 1.394 1.00 0.00 H new ATOM 0 HA VAL A 55 0.898 -1.504 -1.068 1.00 0.00 H new ATOM 0 HB VAL A 55 2.405 -3.989 -0.342 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.902 -3.285 -2.236 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.241 -3.599 -2.792 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.804 -1.925 -2.572 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.354 -2.437 -0.037 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.271 -1.053 -0.314 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.045 -2.087 1.117 1.00 0.00 H new ATOM 844 N ALA A 56 -0.497 -3.014 -2.521 1.00 0.00 N ATOM 845 CA ALA A 56 -1.416 -3.773 -3.339 1.00 0.00 C ATOM 846 C ALA A 56 -0.926 -3.746 -4.781 1.00 0.00 C ATOM 847 O ALA A 56 -0.262 -2.803 -5.206 1.00 0.00 O ATOM 848 CB ALA A 56 -2.823 -3.188 -3.205 1.00 0.00 C ATOM 0 H ALA A 56 -0.238 -2.117 -2.931 1.00 0.00 H new ATOM 0 HA ALA A 56 -1.458 -4.811 -3.010 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.515 -3.761 -3.822 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.140 -3.237 -2.163 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -2.818 -2.149 -3.534 1.00 0.00 H new ATOM 854 N LYS A 57 -1.268 -4.783 -5.537 1.00 0.00 N ATOM 855 CA LYS A 57 -0.962 -4.920 -6.944 1.00 0.00 C ATOM 856 C LYS A 57 -2.258 -5.227 -7.678 1.00 0.00 C ATOM 857 O LYS A 57 -3.123 -5.927 -7.149 1.00 0.00 O ATOM 858 CB LYS A 57 0.059 -6.036 -7.175 1.00 0.00 C ATOM 859 CG LYS A 57 1.512 -5.558 -7.162 1.00 0.00 C ATOM 860 CD LYS A 57 2.418 -6.786 -7.339 1.00 0.00 C ATOM 861 CE LYS A 57 3.904 -6.451 -7.467 1.00 0.00 C ATOM 862 NZ LYS A 57 4.192 -5.586 -8.626 1.00 0.00 N ATOM 0 H LYS A 57 -1.786 -5.579 -5.166 1.00 0.00 H new ATOM 0 HA LYS A 57 -0.524 -3.995 -7.319 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -0.070 -6.798 -6.406 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -0.148 -6.512 -8.133 1.00 0.00 H new ATOM 0 HG2 LYS A 57 1.684 -4.839 -7.963 1.00 0.00 H new ATOM 0 HG3 LYS A 57 1.738 -5.050 -6.224 1.00 0.00 H new ATOM 0 HD2 LYS A 57 2.279 -7.453 -6.488 1.00 0.00 H new ATOM 0 HD3 LYS A 57 2.102 -7.333 -8.227 1.00 0.00 H new ATOM 0 HE2 LYS A 57 4.241 -5.956 -6.556 1.00 0.00 H new ATOM 0 HE3 LYS A 57 4.475 -7.375 -7.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 5.219 -5.444 -8.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 3.835 -6.037 -9.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 3.725 -4.666 -8.497 1.00 0.00 H new ATOM 876 N LEU A 58 -2.376 -4.710 -8.898 1.00 0.00 N ATOM 877 CA LEU A 58 -3.518 -4.944 -9.762 1.00 0.00 C ATOM 878 C LEU A 58 -2.957 -5.258 -11.144 1.00 0.00 C ATOM 879 O LEU A 58 -2.246 -4.440 -11.728 1.00 0.00 O ATOM 880 CB LEU A 58 -4.450 -3.730 -9.696 1.00 0.00 C ATOM 881 CG LEU A 58 -5.799 -3.991 -10.384 1.00 0.00 C ATOM 882 CD1 LEU A 58 -6.889 -3.229 -9.633 1.00 0.00 C ATOM 883 CD2 LEU A 58 -5.776 -3.530 -11.844 1.00 0.00 C ATOM 0 H LEU A 58 -1.667 -4.108 -9.316 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.136 -5.789 -9.459 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -4.622 -3.464 -8.653 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -3.964 -2.876 -10.167 1.00 0.00 H new ATOM 0 HG LEU A 58 -5.997 -5.063 -10.368 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -7.852 -3.406 -10.112 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -6.928 -3.574 -8.600 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -6.665 -2.162 -9.651 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -6.744 -3.728 -12.303 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.567 -2.461 -11.885 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -5.000 -4.072 -12.385 1.00 0.00 H new ATOM 895 N ASN A 59 -3.245 -6.457 -11.652 1.00 0.00 N ATOM 896 CA ASN A 59 -2.750 -6.901 -12.944 1.00 0.00 C ATOM 897 C ASN A 59 -3.769 -6.470 -13.990 1.00 0.00 C ATOM 898 O ASN A 59 -4.808 -7.105 -14.123 1.00 0.00 O ATOM 899 CB ASN A 59 -2.550 -8.416 -12.939 1.00 0.00 C ATOM 900 CG ASN A 59 -2.077 -8.855 -14.319 1.00 0.00 C ATOM 901 OD1 ASN A 59 -2.879 -9.043 -15.225 1.00 0.00 O ATOM 902 ND2 ASN A 59 -0.770 -8.995 -14.508 1.00 0.00 N ATOM 0 H ASN A 59 -3.829 -7.144 -11.175 1.00 0.00 H new ATOM 0 HA ASN A 59 -1.781 -6.457 -13.171 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -1.818 -8.697 -12.182 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -3.483 -8.919 -12.682 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -0.413 -9.265 -15.425 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -0.123 -8.832 -13.737 1.00 0.00 H new ATOM 909 N ILE A 60 -3.501 -5.390 -14.719 1.00 0.00 N ATOM 910 CA ILE A 60 -4.445 -4.831 -15.681 1.00 0.00 C ATOM 911 C ILE A 60 -4.986 -5.853 -16.686 1.00 0.00 C ATOM 912 O ILE A 60 -6.162 -5.799 -17.030 1.00 0.00 O ATOM 913 CB ILE A 60 -3.866 -3.573 -16.352 1.00 0.00 C ATOM 914 CG1 ILE A 60 -2.579 -3.850 -17.147 1.00 0.00 C ATOM 915 CG2 ILE A 60 -3.616 -2.496 -15.286 1.00 0.00 C ATOM 916 CD1 ILE A 60 -2.835 -3.867 -18.655 1.00 0.00 C ATOM 0 H ILE A 60 -2.621 -4.877 -14.659 1.00 0.00 H new ATOM 0 HA ILE A 60 -5.324 -4.526 -15.113 1.00 0.00 H new ATOM 0 HB ILE A 60 -4.602 -3.223 -17.076 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.836 -3.087 -16.913 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.160 -4.808 -16.839 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -3.206 -1.604 -15.759 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -4.556 -2.246 -14.794 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -2.909 -2.873 -14.547 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.901 -4.066 -19.180 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -3.558 -4.647 -18.893 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -3.229 -2.900 -18.968 1.00 0.00 H new ATOM 928 N ASP A 61 -4.163 -6.796 -17.154 1.00 0.00 N ATOM 929 CA ASP A 61 -4.608 -7.803 -18.115 1.00 0.00 C ATOM 930 C ASP A 61 -5.731 -8.652 -17.517 1.00 0.00 C ATOM 931 O ASP A 61 -6.754 -8.885 -18.156 1.00 0.00 O ATOM 932 CB ASP A 61 -3.440 -8.696 -18.564 1.00 0.00 C ATOM 933 CG ASP A 61 -2.224 -7.892 -19.001 1.00 0.00 C ATOM 934 OD1 ASP A 61 -1.579 -7.330 -18.092 1.00 0.00 O ATOM 935 OD2 ASP A 61 -1.958 -7.844 -20.223 1.00 0.00 O ATOM 0 H ASP A 61 -3.184 -6.881 -16.881 1.00 0.00 H new ATOM 0 HA ASP A 61 -4.991 -7.284 -18.994 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -3.158 -9.358 -17.745 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -3.768 -9.330 -19.388 1.00 0.00 H new ATOM 940 N GLN A 62 -5.528 -9.121 -16.284 1.00 0.00 N ATOM 941 CA GLN A 62 -6.477 -9.951 -15.552 1.00 0.00 C ATOM 942 C GLN A 62 -7.568 -9.105 -14.885 1.00 0.00 C ATOM 943 O GLN A 62 -8.609 -9.626 -14.486 1.00 0.00 O ATOM 944 CB GLN A 62 -5.713 -10.739 -14.483 1.00 0.00 C ATOM 945 CG GLN A 62 -4.675 -11.701 -15.083 1.00 0.00 C ATOM 946 CD GLN A 62 -3.712 -12.218 -14.018 1.00 0.00 C ATOM 947 OE1 GLN A 62 -4.056 -12.308 -12.845 1.00 0.00 O ATOM 948 NE2 GLN A 62 -2.486 -12.554 -14.404 1.00 0.00 N ATOM 0 H GLN A 62 -4.677 -8.927 -15.757 1.00 0.00 H new ATOM 0 HA GLN A 62 -6.965 -10.627 -16.254 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -5.211 -10.041 -13.813 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -6.422 -11.306 -13.880 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -5.185 -12.542 -15.553 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -4.114 -11.191 -15.866 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -2.220 -12.472 -15.385 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -1.811 -12.894 -13.719 1.00 0.00 H new ATOM 957 N ASN A 63 -7.312 -7.810 -14.687 1.00 0.00 N ATOM 958 CA ASN A 63 -8.180 -6.876 -13.984 1.00 0.00 C ATOM 959 C ASN A 63 -8.385 -5.632 -14.862 1.00 0.00 C ATOM 960 O ASN A 63 -7.962 -4.536 -14.493 1.00 0.00 O ATOM 961 CB ASN A 63 -7.524 -6.504 -12.639 1.00 0.00 C ATOM 962 CG ASN A 63 -6.896 -7.656 -11.846 1.00 0.00 C ATOM 963 OD1 ASN A 63 -5.839 -7.489 -11.244 1.00 0.00 O ATOM 964 ND2 ASN A 63 -7.501 -8.843 -11.857 1.00 0.00 N ATOM 0 H ASN A 63 -6.457 -7.370 -15.028 1.00 0.00 H new ATOM 0 HA ASN A 63 -9.153 -7.325 -13.785 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -6.751 -5.759 -12.830 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -8.277 -6.028 -12.011 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -7.086 -9.631 -11.360 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -8.379 -8.963 -12.362 1.00 0.00 H new ATOM 971 N PRO A 64 -9.012 -5.772 -16.040 1.00 0.00 N ATOM 972 CA PRO A 64 -9.165 -4.675 -16.980 1.00 0.00 C ATOM 973 C PRO A 64 -10.051 -3.543 -16.465 1.00 0.00 C ATOM 974 O PRO A 64 -9.696 -2.379 -16.627 1.00 0.00 O ATOM 975 CB PRO A 64 -9.730 -5.307 -18.258 1.00 0.00 C ATOM 976 CG PRO A 64 -10.441 -6.565 -17.762 1.00 0.00 C ATOM 977 CD PRO A 64 -9.561 -7.000 -16.591 1.00 0.00 C ATOM 0 HA PRO A 64 -8.204 -4.190 -17.152 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -10.419 -4.633 -18.766 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -8.939 -5.549 -18.968 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -11.463 -6.356 -17.446 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -10.497 -7.332 -18.535 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -10.142 -7.540 -15.843 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -8.768 -7.670 -16.924 1.00 0.00 H new ATOM 985 N GLY A 65 -11.202 -3.871 -15.871 1.00 0.00 N ATOM 986 CA GLY A 65 -12.213 -2.925 -15.407 1.00 0.00 C ATOM 987 C GLY A 65 -11.674 -1.638 -14.775 1.00 0.00 C ATOM 988 O GLY A 65 -12.173 -0.552 -15.064 1.00 0.00 O ATOM 0 H GLY A 65 -11.462 -4.841 -15.695 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -12.848 -2.656 -16.251 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -12.848 -3.428 -14.678 1.00 0.00 H new ATOM 992 N THR A 66 -10.685 -1.752 -13.890 1.00 0.00 N ATOM 993 CA THR A 66 -10.125 -0.614 -13.170 1.00 0.00 C ATOM 994 C THR A 66 -9.249 0.288 -14.056 1.00 0.00 C ATOM 995 O THR A 66 -9.130 1.489 -13.799 1.00 0.00 O ATOM 996 CB THR A 66 -9.353 -1.142 -11.948 1.00 0.00 C ATOM 997 OG1 THR A 66 -10.124 -2.105 -11.257 1.00 0.00 O ATOM 998 CG2 THR A 66 -9.037 -0.034 -10.944 1.00 0.00 C ATOM 0 H THR A 66 -10.248 -2.643 -13.652 1.00 0.00 H new ATOM 0 HA THR A 66 -10.944 0.026 -12.842 1.00 0.00 H new ATOM 0 HB THR A 66 -8.428 -1.568 -12.335 1.00 0.00 H new ATOM 0 HG1 THR A 66 -10.121 -2.947 -11.758 1.00 0.00 H new ATOM 0 HG21 THR A 66 -8.492 -0.454 -10.099 1.00 0.00 H new ATOM 0 HG22 THR A 66 -8.427 0.730 -11.426 1.00 0.00 H new ATOM 0 HG23 THR A 66 -9.966 0.413 -10.591 1.00 0.00 H new ATOM 1006 N ALA A 67 -8.627 -0.273 -15.099 1.00 0.00 N ATOM 1007 CA ALA A 67 -7.723 0.463 -15.977 1.00 0.00 C ATOM 1008 C ALA A 67 -8.321 1.756 -16.560 1.00 0.00 C ATOM 1009 O ALA A 67 -7.736 2.816 -16.346 1.00 0.00 O ATOM 1010 CB ALA A 67 -7.128 -0.460 -17.047 1.00 0.00 C ATOM 0 H ALA A 67 -8.740 -1.254 -15.355 1.00 0.00 H new ATOM 0 HA ALA A 67 -6.904 0.815 -15.350 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -6.458 0.112 -17.689 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -6.571 -1.264 -16.565 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -7.931 -0.885 -17.649 1.00 0.00 H new ATOM 1016 N PRO A 68 -9.453 1.732 -17.287 1.00 0.00 N ATOM 1017 CA PRO A 68 -10.029 2.948 -17.834 1.00 0.00 C ATOM 1018 C PRO A 68 -10.467 3.899 -16.718 1.00 0.00 C ATOM 1019 O PRO A 68 -10.206 5.096 -16.808 1.00 0.00 O ATOM 1020 CB PRO A 68 -11.203 2.508 -18.713 1.00 0.00 C ATOM 1021 CG PRO A 68 -11.604 1.154 -18.129 1.00 0.00 C ATOM 1022 CD PRO A 68 -10.271 0.585 -17.650 1.00 0.00 C ATOM 0 HA PRO A 68 -9.301 3.506 -18.424 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -12.025 3.222 -18.670 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -10.910 2.422 -19.759 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -12.316 1.261 -17.310 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -12.072 0.514 -18.877 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -10.414 -0.078 -16.797 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -9.793 -0.003 -18.434 1.00 0.00 H new ATOM 1030 N LYS A 69 -11.114 3.375 -15.666 1.00 0.00 N ATOM 1031 CA LYS A 69 -11.594 4.178 -14.547 1.00 0.00 C ATOM 1032 C LYS A 69 -10.510 5.121 -14.029 1.00 0.00 C ATOM 1033 O LYS A 69 -10.762 6.310 -13.854 1.00 0.00 O ATOM 1034 CB LYS A 69 -12.108 3.288 -13.405 1.00 0.00 C ATOM 1035 CG LYS A 69 -13.334 2.461 -13.803 1.00 0.00 C ATOM 1036 CD LYS A 69 -13.920 1.786 -12.555 1.00 0.00 C ATOM 1037 CE LYS A 69 -15.075 0.843 -12.914 1.00 0.00 C ATOM 1038 NZ LYS A 69 -14.586 -0.402 -13.531 1.00 0.00 N ATOM 0 H LYS A 69 -11.316 2.380 -15.574 1.00 0.00 H new ATOM 0 HA LYS A 69 -12.423 4.781 -14.918 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -11.310 2.617 -13.086 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -12.360 3.913 -12.548 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -14.083 3.101 -14.269 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -13.055 1.708 -14.540 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -13.138 1.226 -12.042 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -14.274 2.548 -11.861 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -15.644 0.605 -12.015 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -15.757 1.346 -13.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -15.271 -0.729 -14.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -13.669 -0.226 -13.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -14.472 -1.131 -12.798 1.00 0.00 H new ATOM 1052 N TYR A 70 -9.307 4.591 -13.786 1.00 0.00 N ATOM 1053 CA TYR A 70 -8.191 5.384 -13.286 1.00 0.00 C ATOM 1054 C TYR A 70 -7.224 5.799 -14.401 1.00 0.00 C ATOM 1055 O TYR A 70 -6.066 6.099 -14.119 1.00 0.00 O ATOM 1056 CB TYR A 70 -7.528 4.625 -12.132 1.00 0.00 C ATOM 1057 CG TYR A 70 -8.412 4.586 -10.900 1.00 0.00 C ATOM 1058 CD1 TYR A 70 -8.424 5.683 -10.018 1.00 0.00 C ATOM 1059 CD2 TYR A 70 -9.382 3.577 -10.766 1.00 0.00 C ATOM 1060 CE1 TYR A 70 -9.389 5.759 -8.998 1.00 0.00 C ATOM 1061 CE2 TYR A 70 -10.352 3.655 -9.751 1.00 0.00 C ATOM 1062 CZ TYR A 70 -10.358 4.752 -8.874 1.00 0.00 C ATOM 1063 OH TYR A 70 -11.316 4.856 -7.911 1.00 0.00 O ATOM 0 H TYR A 70 -9.085 3.606 -13.931 1.00 0.00 H new ATOM 0 HA TYR A 70 -8.558 6.333 -12.895 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -7.302 3.607 -12.449 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -6.579 5.099 -11.883 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -7.690 6.468 -10.125 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -9.382 2.738 -11.446 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -9.384 6.592 -8.311 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -11.090 2.874 -9.646 1.00 0.00 H new ATOM 0 HH TYR A 70 -11.912 4.079 -7.957 1.00 0.00 H new ATOM 1073 N GLY A 71 -7.696 5.858 -15.654 1.00 0.00 N ATOM 1074 CA GLY A 71 -6.919 6.287 -16.812 1.00 0.00 C ATOM 1075 C GLY A 71 -5.506 5.704 -16.841 1.00 0.00 C ATOM 1076 O GLY A 71 -4.530 6.427 -17.044 1.00 0.00 O ATOM 0 H GLY A 71 -8.654 5.601 -15.890 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.444 5.995 -17.722 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -6.856 7.375 -16.816 1.00 0.00 H new ATOM 1080 N ILE A 72 -5.390 4.391 -16.648 1.00 0.00 N ATOM 1081 CA ILE A 72 -4.108 3.704 -16.625 1.00 0.00 C ATOM 1082 C ILE A 72 -3.597 3.554 -18.059 1.00 0.00 C ATOM 1083 O ILE A 72 -3.627 2.472 -18.641 1.00 0.00 O ATOM 1084 CB ILE A 72 -4.235 2.366 -15.877 1.00 0.00 C ATOM 1085 CG1 ILE A 72 -4.894 2.529 -14.494 1.00 0.00 C ATOM 1086 CG2 ILE A 72 -2.871 1.679 -15.722 1.00 0.00 C ATOM 1087 CD1 ILE A 72 -4.088 3.336 -13.475 1.00 0.00 C ATOM 0 H ILE A 72 -6.189 3.774 -16.503 1.00 0.00 H new ATOM 0 HA ILE A 72 -3.368 4.286 -16.076 1.00 0.00 H new ATOM 0 HB ILE A 72 -4.882 1.737 -16.488 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -5.864 3.008 -14.627 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -5.082 1.538 -14.081 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -2.997 0.736 -15.189 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -2.447 1.485 -16.707 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -2.199 2.327 -15.159 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -4.639 3.391 -12.536 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -3.128 2.850 -13.304 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -3.922 4.343 -13.858 1.00 0.00 H new ATOM 1099 N ARG A 73 -3.128 4.663 -18.636 1.00 0.00 N ATOM 1100 CA ARG A 73 -2.595 4.697 -19.994 1.00 0.00 C ATOM 1101 C ARG A 73 -1.152 4.184 -20.052 1.00 0.00 C ATOM 1102 O ARG A 73 -0.587 4.070 -21.136 1.00 0.00 O ATOM 1103 CB ARG A 73 -2.679 6.122 -20.554 1.00 0.00 C ATOM 1104 CG ARG A 73 -4.087 6.736 -20.547 1.00 0.00 C ATOM 1105 CD ARG A 73 -5.155 5.793 -21.107 1.00 0.00 C ATOM 1106 NE ARG A 73 -4.791 5.302 -22.443 1.00 0.00 N ATOM 1107 CZ ARG A 73 -5.317 4.220 -23.035 1.00 0.00 C ATOM 1108 NH1 ARG A 73 -6.301 3.533 -22.443 1.00 0.00 N ATOM 1109 NH2 ARG A 73 -4.849 3.830 -24.224 1.00 0.00 N ATOM 0 H ARG A 73 -3.109 5.569 -18.167 1.00 0.00 H new ATOM 0 HA ARG A 73 -3.202 4.032 -20.608 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -2.015 6.764 -19.975 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -2.305 6.117 -21.578 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -4.352 7.011 -19.526 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -4.079 7.655 -21.133 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -5.287 4.948 -20.431 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -6.111 6.313 -21.157 1.00 0.00 H new ATOM 0 HE ARG A 73 -4.084 5.824 -22.960 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -6.656 3.831 -21.535 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -6.696 2.711 -22.900 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -4.098 4.354 -24.673 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -5.243 3.008 -24.682 1.00 0.00 H new ATOM 1123 N GLY A 74 -0.548 3.876 -18.902 1.00 0.00 N ATOM 1124 CA GLY A 74 0.810 3.369 -18.809 1.00 0.00 C ATOM 1125 C GLY A 74 0.970 2.665 -17.467 1.00 0.00 C ATOM 1126 O GLY A 74 0.125 2.837 -16.585 1.00 0.00 O ATOM 0 H GLY A 74 -1.004 3.976 -17.995 1.00 0.00 H new ATOM 0 HA2 GLY A 74 1.013 2.677 -19.627 1.00 0.00 H new ATOM 0 HA3 GLY A 74 1.527 4.186 -18.897 1.00 0.00 H new ATOM 1130 N ILE A 75 2.040 1.882 -17.321 1.00 0.00 N ATOM 1131 CA ILE A 75 2.373 1.115 -16.128 1.00 0.00 C ATOM 1132 C ILE A 75 3.909 1.015 -16.062 1.00 0.00 C ATOM 1133 O ILE A 75 4.539 1.089 -17.119 1.00 0.00 O ATOM 1134 CB ILE A 75 1.707 -0.277 -16.187 1.00 0.00 C ATOM 1135 CG1 ILE A 75 1.979 -0.980 -17.528 1.00 0.00 C ATOM 1136 CG2 ILE A 75 0.197 -0.191 -15.918 1.00 0.00 C ATOM 1137 CD1 ILE A 75 1.415 -2.401 -17.553 1.00 0.00 C ATOM 0 H ILE A 75 2.726 1.763 -18.066 1.00 0.00 H new ATOM 0 HA ILE A 75 2.000 1.602 -15.227 1.00 0.00 H new ATOM 0 HB ILE A 75 2.157 -0.878 -15.397 1.00 0.00 H new ATOM 0 HG12 ILE A 75 1.537 -0.400 -18.338 1.00 0.00 H new ATOM 0 HG13 ILE A 75 3.053 -1.013 -17.709 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.239 -1.189 -15.967 1.00 0.00 H new ATOM 0 HG22 ILE A 75 0.027 0.230 -14.927 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -0.271 0.447 -16.668 1.00 0.00 H new ATOM 0 HD11 ILE A 75 1.629 -2.861 -18.518 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.876 -2.990 -16.760 1.00 0.00 H new ATOM 0 HD13 ILE A 75 0.336 -2.367 -17.399 1.00 0.00 H new ATOM 1149 N PRO A 76 4.537 0.856 -14.883 1.00 0.00 N ATOM 1150 CA PRO A 76 3.915 0.777 -13.569 1.00 0.00 C ATOM 1151 C PRO A 76 3.323 2.129 -13.195 1.00 0.00 C ATOM 1152 O PRO A 76 3.888 3.165 -13.531 1.00 0.00 O ATOM 1153 CB PRO A 76 5.032 0.394 -12.592 1.00 0.00 C ATOM 1154 CG PRO A 76 6.294 0.922 -13.272 1.00 0.00 C ATOM 1155 CD PRO A 76 5.982 0.759 -14.760 1.00 0.00 C ATOM 0 HA PRO A 76 3.106 0.047 -13.549 1.00 0.00 H new ATOM 0 HB2 PRO A 76 4.883 0.849 -11.613 1.00 0.00 H new ATOM 0 HB3 PRO A 76 5.079 -0.684 -12.439 1.00 0.00 H new ATOM 0 HG2 PRO A 76 6.486 1.963 -13.012 1.00 0.00 H new ATOM 0 HG3 PRO A 76 7.177 0.353 -12.981 1.00 0.00 H new ATOM 0 HD2 PRO A 76 6.476 1.532 -15.348 1.00 0.00 H new ATOM 0 HD3 PRO A 76 6.341 -0.201 -15.130 1.00 0.00 H new ATOM 1163 N THR A 77 2.180 2.103 -12.517 1.00 0.00 N ATOM 1164 CA THR A 77 1.475 3.296 -12.083 1.00 0.00 C ATOM 1165 C THR A 77 1.008 3.013 -10.661 1.00 0.00 C ATOM 1166 O THR A 77 0.345 2.003 -10.428 1.00 0.00 O ATOM 1167 CB THR A 77 0.359 3.613 -13.087 1.00 0.00 C ATOM 1168 OG1 THR A 77 0.957 4.055 -14.288 1.00 0.00 O ATOM 1169 CG2 THR A 77 -0.580 4.703 -12.587 1.00 0.00 C ATOM 0 H THR A 77 1.713 1.236 -12.251 1.00 0.00 H new ATOM 0 HA THR A 77 2.091 4.195 -12.061 1.00 0.00 H new ATOM 0 HB THR A 77 -0.230 2.707 -13.233 1.00 0.00 H new ATOM 0 HG1 THR A 77 0.587 3.551 -15.043 1.00 0.00 H new ATOM 0 HG21 THR A 77 -1.351 4.890 -13.334 1.00 0.00 H new ATOM 0 HG22 THR A 77 -1.047 4.382 -11.656 1.00 0.00 H new ATOM 0 HG23 THR A 77 -0.015 5.618 -12.413 1.00 0.00 H new ATOM 1177 N LEU A 78 1.413 3.863 -9.716 1.00 0.00 N ATOM 1178 CA LEU A 78 1.182 3.699 -8.293 1.00 0.00 C ATOM 1179 C LEU A 78 0.145 4.718 -7.832 1.00 0.00 C ATOM 1180 O LEU A 78 0.419 5.914 -7.897 1.00 0.00 O ATOM 1181 CB LEU A 78 2.507 3.925 -7.541 1.00 0.00 C ATOM 1182 CG LEU A 78 3.725 3.177 -8.111 1.00 0.00 C ATOM 1183 CD1 LEU A 78 4.946 3.457 -7.230 1.00 0.00 C ATOM 1184 CD2 LEU A 78 3.492 1.668 -8.177 1.00 0.00 C ATOM 0 H LEU A 78 1.930 4.714 -9.937 1.00 0.00 H new ATOM 0 HA LEU A 78 0.814 2.694 -8.087 1.00 0.00 H new ATOM 0 HB2 LEU A 78 2.726 4.993 -7.538 1.00 0.00 H new ATOM 0 HB3 LEU A 78 2.371 3.625 -6.502 1.00 0.00 H new ATOM 0 HG LEU A 78 3.890 3.536 -9.127 1.00 0.00 H new ATOM 0 HD11 LEU A 78 5.812 2.929 -7.630 1.00 0.00 H new ATOM 0 HD12 LEU A 78 5.148 4.528 -7.218 1.00 0.00 H new ATOM 0 HD13 LEU A 78 4.749 3.113 -6.215 1.00 0.00 H new ATOM 0 HD21 LEU A 78 4.377 1.181 -8.585 1.00 0.00 H new ATOM 0 HD22 LEU A 78 3.297 1.286 -7.175 1.00 0.00 H new ATOM 0 HD23 LEU A 78 2.635 1.460 -8.818 1.00 0.00 H new ATOM 1196 N LEU A 79 -1.025 4.271 -7.364 1.00 0.00 N ATOM 1197 CA LEU A 79 -2.067 5.151 -6.839 1.00 0.00 C ATOM 1198 C LEU A 79 -2.154 4.919 -5.332 1.00 0.00 C ATOM 1199 O LEU A 79 -2.402 3.790 -4.907 1.00 0.00 O ATOM 1200 CB LEU A 79 -3.429 4.851 -7.479 1.00 0.00 C ATOM 1201 CG LEU A 79 -3.685 5.531 -8.830 1.00 0.00 C ATOM 1202 CD1 LEU A 79 -2.748 5.046 -9.932 1.00 0.00 C ATOM 1203 CD2 LEU A 79 -5.140 5.321 -9.252 1.00 0.00 C ATOM 0 H LEU A 79 -1.274 3.282 -7.340 1.00 0.00 H new ATOM 0 HA LEU A 79 -1.815 6.186 -7.068 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.520 3.773 -7.611 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.212 5.154 -6.785 1.00 0.00 H new ATOM 0 HG LEU A 79 -3.484 6.593 -8.691 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -2.980 5.565 -10.862 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -1.716 5.253 -9.649 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -2.877 3.973 -10.073 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -5.314 5.807 -10.212 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -5.342 4.254 -9.343 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -5.802 5.753 -8.502 1.00 0.00 H new ATOM 1215 N LEU A 80 -1.959 5.968 -4.526 1.00 0.00 N ATOM 1216 CA LEU A 80 -2.028 5.876 -3.073 1.00 0.00 C ATOM 1217 C LEU A 80 -3.410 6.338 -2.615 1.00 0.00 C ATOM 1218 O LEU A 80 -3.730 7.519 -2.718 1.00 0.00 O ATOM 1219 CB LEU A 80 -0.874 6.687 -2.466 1.00 0.00 C ATOM 1220 CG LEU A 80 -0.751 6.610 -0.934 1.00 0.00 C ATOM 1221 CD1 LEU A 80 -1.158 5.266 -0.319 1.00 0.00 C ATOM 1222 CD2 LEU A 80 0.715 6.859 -0.569 1.00 0.00 C ATOM 0 H LEU A 80 -1.749 6.905 -4.869 1.00 0.00 H new ATOM 0 HA LEU A 80 -1.906 4.850 -2.727 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.062 6.343 -2.907 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -0.996 7.732 -2.752 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.438 7.356 -0.534 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.037 5.310 0.763 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.200 5.057 -0.559 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.526 4.475 -0.723 1.00 0.00 H new ATOM 0 HD21 LEU A 80 0.834 6.811 0.513 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.341 6.099 -1.037 1.00 0.00 H new ATOM 0 HD23 LEU A 80 1.016 7.845 -0.923 1.00 0.00 H new ATOM 1234 N PHE A 81 -4.227 5.400 -2.131 1.00 0.00 N ATOM 1235 CA PHE A 81 -5.593 5.613 -1.673 1.00 0.00 C ATOM 1236 C PHE A 81 -5.673 5.619 -0.147 1.00 0.00 C ATOM 1237 O PHE A 81 -5.206 4.679 0.495 1.00 0.00 O ATOM 1238 CB PHE A 81 -6.475 4.469 -2.190 1.00 0.00 C ATOM 1239 CG PHE A 81 -6.763 4.506 -3.679 1.00 0.00 C ATOM 1240 CD1 PHE A 81 -5.873 3.889 -4.577 1.00 0.00 C ATOM 1241 CD2 PHE A 81 -7.986 5.020 -4.154 1.00 0.00 C ATOM 1242 CE1 PHE A 81 -6.223 3.754 -5.931 1.00 0.00 C ATOM 1243 CE2 PHE A 81 -8.306 4.938 -5.520 1.00 0.00 C ATOM 1244 CZ PHE A 81 -7.409 4.331 -6.412 1.00 0.00 C ATOM 0 H PHE A 81 -3.936 4.426 -2.046 1.00 0.00 H new ATOM 0 HA PHE A 81 -5.931 6.578 -2.050 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -5.992 3.521 -1.952 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -7.422 4.488 -1.651 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -4.921 3.519 -4.226 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -8.680 5.479 -3.466 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -5.579 3.206 -6.603 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -9.240 5.341 -5.882 1.00 0.00 H new ATOM 0 HZ PHE A 81 -7.631 4.308 -7.469 1.00 0.00 H new ATOM 1254 N LYS A 82 -6.326 6.637 0.418 1.00 0.00 N ATOM 1255 CA LYS A 82 -6.628 6.767 1.836 1.00 0.00 C ATOM 1256 C LYS A 82 -8.148 6.896 1.919 1.00 0.00 C ATOM 1257 O LYS A 82 -8.695 7.876 1.427 1.00 0.00 O ATOM 1258 CB LYS A 82 -5.956 8.021 2.408 1.00 0.00 C ATOM 1259 CG LYS A 82 -4.464 7.802 2.673 1.00 0.00 C ATOM 1260 CD LYS A 82 -3.854 9.096 3.229 1.00 0.00 C ATOM 1261 CE LYS A 82 -2.457 8.871 3.816 1.00 0.00 C ATOM 1262 NZ LYS A 82 -2.516 8.126 5.088 1.00 0.00 N ATOM 0 H LYS A 82 -6.672 7.425 -0.129 1.00 0.00 H new ATOM 0 HA LYS A 82 -6.262 5.915 2.409 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -6.083 8.850 1.712 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -6.451 8.306 3.336 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -4.324 6.986 3.382 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -3.957 7.514 1.752 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -3.797 9.840 2.434 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -4.509 9.503 4.000 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -1.845 8.322 3.100 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -1.971 9.833 3.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -2.118 8.710 5.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -3.506 7.895 5.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -1.966 7.247 5.002 1.00 0.00 H new ATOM 1276 N ASN A 83 -8.850 5.913 2.493 1.00 0.00 N ATOM 1277 CA ASN A 83 -10.311 5.922 2.586 1.00 0.00 C ATOM 1278 C ASN A 83 -10.928 6.172 1.203 1.00 0.00 C ATOM 1279 O ASN A 83 -11.848 6.968 1.045 1.00 0.00 O ATOM 1280 CB ASN A 83 -10.747 6.962 3.632 1.00 0.00 C ATOM 1281 CG ASN A 83 -12.259 6.992 3.840 1.00 0.00 C ATOM 1282 OD1 ASN A 83 -12.863 5.977 4.175 1.00 0.00 O ATOM 1283 ND2 ASN A 83 -12.885 8.152 3.654 1.00 0.00 N ATOM 0 H ASN A 83 -8.418 5.087 2.907 1.00 0.00 H new ATOM 0 HA ASN A 83 -10.676 4.950 2.918 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -10.258 6.743 4.581 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -10.408 7.950 3.319 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -13.894 8.215 3.790 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -12.356 8.978 3.376 1.00 0.00 H new ATOM 1290 N GLY A 84 -10.374 5.530 0.171 1.00 0.00 N ATOM 1291 CA GLY A 84 -10.821 5.705 -1.206 1.00 0.00 C ATOM 1292 C GLY A 84 -10.412 7.042 -1.831 1.00 0.00 C ATOM 1293 O GLY A 84 -10.474 7.183 -3.051 1.00 0.00 O ATOM 0 H GLY A 84 -9.600 4.873 0.271 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -10.419 4.894 -1.813 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -11.907 5.618 -1.238 1.00 0.00 H new ATOM 1297 N GLU A 85 -9.970 8.017 -1.036 1.00 0.00 N ATOM 1298 CA GLU A 85 -9.537 9.313 -1.518 1.00 0.00 C ATOM 1299 C GLU A 85 -8.106 9.154 -2.029 1.00 0.00 C ATOM 1300 O GLU A 85 -7.221 8.746 -1.275 1.00 0.00 O ATOM 1301 CB GLU A 85 -9.626 10.342 -0.379 1.00 0.00 C ATOM 1302 CG GLU A 85 -11.044 10.437 0.214 1.00 0.00 C ATOM 1303 CD GLU A 85 -11.037 11.055 1.609 1.00 0.00 C ATOM 1304 OE1 GLU A 85 -10.559 12.205 1.716 1.00 0.00 O ATOM 1305 OE2 GLU A 85 -11.511 10.369 2.543 1.00 0.00 O ATOM 0 H GLU A 85 -9.905 7.919 -0.023 1.00 0.00 H new ATOM 0 HA GLU A 85 -10.172 9.674 -2.327 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -8.923 10.071 0.408 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -9.324 11.321 -0.752 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -11.674 11.035 -0.445 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -11.486 9.442 0.260 1.00 0.00 H new ATOM 1312 N VAL A 86 -7.874 9.454 -3.306 1.00 0.00 N ATOM 1313 CA VAL A 86 -6.547 9.363 -3.895 1.00 0.00 C ATOM 1314 C VAL A 86 -5.691 10.481 -3.295 1.00 0.00 C ATOM 1315 O VAL A 86 -5.973 11.658 -3.510 1.00 0.00 O ATOM 1316 CB VAL A 86 -6.639 9.457 -5.428 1.00 0.00 C ATOM 1317 CG1 VAL A 86 -5.244 9.432 -6.061 1.00 0.00 C ATOM 1318 CG2 VAL A 86 -7.444 8.279 -5.993 1.00 0.00 C ATOM 0 H VAL A 86 -8.598 9.764 -3.954 1.00 0.00 H new ATOM 0 HA VAL A 86 -6.083 8.403 -3.671 1.00 0.00 H new ATOM 0 HB VAL A 86 -7.135 10.398 -5.667 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -5.335 9.500 -7.145 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -4.662 10.277 -5.692 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -4.741 8.502 -5.796 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -7.498 8.363 -7.078 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -6.955 7.342 -5.725 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -8.451 8.294 -5.577 1.00 0.00 H new ATOM 1328 N ALA A 87 -4.649 10.116 -2.548 1.00 0.00 N ATOM 1329 CA ALA A 87 -3.740 11.059 -1.917 1.00 0.00 C ATOM 1330 C ALA A 87 -2.744 11.570 -2.957 1.00 0.00 C ATOM 1331 O ALA A 87 -2.520 12.775 -3.062 1.00 0.00 O ATOM 1332 CB ALA A 87 -3.025 10.371 -0.752 1.00 0.00 C ATOM 0 H ALA A 87 -4.413 9.141 -2.365 1.00 0.00 H new ATOM 0 HA ALA A 87 -4.292 11.912 -1.522 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -2.343 11.076 -0.277 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -3.761 10.031 -0.023 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -2.462 9.516 -1.125 1.00 0.00 H new ATOM 1338 N ALA A 88 -2.169 10.660 -3.748 1.00 0.00 N ATOM 1339 CA ALA A 88 -1.236 10.994 -4.811 1.00 0.00 C ATOM 1340 C ALA A 88 -1.114 9.810 -5.763 1.00 0.00 C ATOM 1341 O ALA A 88 -1.499 8.689 -5.419 1.00 0.00 O ATOM 1342 CB ALA A 88 0.136 11.364 -4.238 1.00 0.00 C ATOM 0 H ALA A 88 -2.345 9.659 -3.661 1.00 0.00 H new ATOM 0 HA ALA A 88 -1.613 11.860 -5.355 1.00 0.00 H new ATOM 0 HB1 ALA A 88 0.816 11.610 -5.053 1.00 0.00 H new ATOM 0 HB2 ALA A 88 0.034 12.225 -3.578 1.00 0.00 H new ATOM 0 HB3 ALA A 88 0.535 10.520 -3.675 1.00 0.00 H new ATOM 1348 N THR A 89 -0.578 10.073 -6.956 1.00 0.00 N ATOM 1349 CA THR A 89 -0.390 9.090 -8.007 1.00 0.00 C ATOM 1350 C THR A 89 0.989 9.282 -8.630 1.00 0.00 C ATOM 1351 O THR A 89 1.329 10.424 -8.938 1.00 0.00 O ATOM 1352 CB THR A 89 -1.471 9.290 -9.079 1.00 0.00 C ATOM 1353 OG1 THR A 89 -1.341 10.559 -9.696 1.00 0.00 O ATOM 1354 CG2 THR A 89 -2.875 9.240 -8.471 1.00 0.00 C ATOM 0 H THR A 89 -0.256 11.005 -7.218 1.00 0.00 H new ATOM 0 HA THR A 89 -0.466 8.084 -7.595 1.00 0.00 H new ATOM 0 HB THR A 89 -1.338 8.486 -9.803 1.00 0.00 H new ATOM 0 HG1 THR A 89 -0.432 10.898 -9.559 1.00 0.00 H new ATOM 0 HG21 THR A 89 -3.617 9.385 -9.256 1.00 0.00 H new ATOM 0 HG22 THR A 89 -3.032 8.271 -7.998 1.00 0.00 H new ATOM 0 HG23 THR A 89 -2.977 10.029 -7.726 1.00 0.00 H new ATOM 1362 N LYS A 90 1.750 8.208 -8.851 1.00 0.00 N ATOM 1363 CA LYS A 90 3.056 8.271 -9.494 1.00 0.00 C ATOM 1364 C LYS A 90 3.039 7.325 -10.696 1.00 0.00 C ATOM 1365 O LYS A 90 2.872 6.119 -10.526 1.00 0.00 O ATOM 1366 CB LYS A 90 4.156 7.934 -8.473 1.00 0.00 C ATOM 1367 CG LYS A 90 5.526 8.525 -8.843 1.00 0.00 C ATOM 1368 CD LYS A 90 6.234 7.750 -9.965 1.00 0.00 C ATOM 1369 CE LYS A 90 7.462 8.508 -10.475 1.00 0.00 C ATOM 1370 NZ LYS A 90 7.999 7.880 -11.696 1.00 0.00 N ATOM 0 H LYS A 90 1.471 7.264 -8.585 1.00 0.00 H new ATOM 0 HA LYS A 90 3.275 9.275 -9.858 1.00 0.00 H new ATOM 0 HB2 LYS A 90 3.859 8.307 -7.493 1.00 0.00 H new ATOM 0 HB3 LYS A 90 4.245 6.851 -8.389 1.00 0.00 H new ATOM 0 HG2 LYS A 90 5.396 9.562 -9.152 1.00 0.00 H new ATOM 0 HG3 LYS A 90 6.162 8.533 -7.958 1.00 0.00 H new ATOM 0 HD2 LYS A 90 6.536 6.769 -9.598 1.00 0.00 H new ATOM 0 HD3 LYS A 90 5.540 7.582 -10.788 1.00 0.00 H new ATOM 0 HE2 LYS A 90 7.195 9.544 -10.682 1.00 0.00 H new ATOM 0 HE3 LYS A 90 8.230 8.525 -9.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 8.631 8.549 -12.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 8.531 7.024 -11.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 7.214 7.624 -12.329 1.00 0.00 H new ATOM 1384 N VAL A 91 3.213 7.869 -11.903 1.00 0.00 N ATOM 1385 CA VAL A 91 3.272 7.110 -13.145 1.00 0.00 C ATOM 1386 C VAL A 91 4.748 6.855 -13.470 1.00 0.00 C ATOM 1387 O VAL A 91 5.564 7.773 -13.395 1.00 0.00 O ATOM 1388 CB VAL A 91 2.571 7.893 -14.273 1.00 0.00 C ATOM 1389 CG1 VAL A 91 2.626 7.130 -15.604 1.00 0.00 C ATOM 1390 CG2 VAL A 91 1.095 8.154 -13.932 1.00 0.00 C ATOM 0 H VAL A 91 3.319 8.874 -12.042 1.00 0.00 H new ATOM 0 HA VAL A 91 2.755 6.156 -13.044 1.00 0.00 H new ATOM 0 HB VAL A 91 3.103 8.839 -14.371 1.00 0.00 H new ATOM 0 HG11 VAL A 91 2.123 7.710 -16.377 1.00 0.00 H new ATOM 0 HG12 VAL A 91 3.666 6.970 -15.889 1.00 0.00 H new ATOM 0 HG13 VAL A 91 2.129 6.167 -15.492 1.00 0.00 H new ATOM 0 HG21 VAL A 91 0.626 8.708 -14.745 1.00 0.00 H new ATOM 0 HG22 VAL A 91 0.579 7.203 -13.796 1.00 0.00 H new ATOM 0 HG23 VAL A 91 1.031 8.736 -13.013 1.00 0.00 H new ATOM 1400 N GLY A 92 5.093 5.615 -13.820 1.00 0.00 N ATOM 1401 CA GLY A 92 6.450 5.212 -14.152 1.00 0.00 C ATOM 1402 C GLY A 92 7.212 4.733 -12.916 1.00 0.00 C ATOM 1403 O GLY A 92 6.831 5.015 -11.779 1.00 0.00 O ATOM 0 H GLY A 92 4.419 4.851 -13.880 1.00 0.00 H new ATOM 0 HA2 GLY A 92 6.422 4.415 -14.895 1.00 0.00 H new ATOM 0 HA3 GLY A 92 6.979 6.051 -14.604 1.00 0.00 H new ATOM 1407 N ALA A 93 8.302 3.995 -13.148 1.00 0.00 N ATOM 1408 CA ALA A 93 9.152 3.476 -12.086 1.00 0.00 C ATOM 1409 C ALA A 93 9.892 4.620 -11.381 1.00 0.00 C ATOM 1410 O ALA A 93 9.913 5.750 -11.868 1.00 0.00 O ATOM 1411 CB ALA A 93 10.131 2.456 -12.674 1.00 0.00 C ATOM 0 H ALA A 93 8.616 3.743 -14.085 1.00 0.00 H new ATOM 0 HA ALA A 93 8.536 2.977 -11.338 1.00 0.00 H new ATOM 0 HB1 ALA A 93 10.769 2.065 -11.881 1.00 0.00 H new ATOM 0 HB2 ALA A 93 9.574 1.637 -13.128 1.00 0.00 H new ATOM 0 HB3 ALA A 93 10.748 2.939 -13.432 1.00 0.00 H new ATOM 1417 N LEU A 94 10.508 4.321 -10.237 1.00 0.00 N ATOM 1418 CA LEU A 94 11.255 5.269 -9.423 1.00 0.00 C ATOM 1419 C LEU A 94 12.146 4.477 -8.469 1.00 0.00 C ATOM 1420 O LEU A 94 11.930 3.279 -8.287 1.00 0.00 O ATOM 1421 CB LEU A 94 10.309 6.226 -8.677 1.00 0.00 C ATOM 1422 CG LEU A 94 9.471 5.602 -7.544 1.00 0.00 C ATOM 1423 CD1 LEU A 94 8.647 6.710 -6.877 1.00 0.00 C ATOM 1424 CD2 LEU A 94 8.503 4.516 -8.027 1.00 0.00 C ATOM 0 H LEU A 94 10.498 3.381 -9.842 1.00 0.00 H new ATOM 0 HA LEU A 94 11.881 5.899 -10.056 1.00 0.00 H new ATOM 0 HB2 LEU A 94 10.903 7.038 -8.258 1.00 0.00 H new ATOM 0 HB3 LEU A 94 9.628 6.671 -9.403 1.00 0.00 H new ATOM 0 HG LEU A 94 10.172 5.132 -6.854 1.00 0.00 H new ATOM 0 HD11 LEU A 94 8.048 6.284 -6.072 1.00 0.00 H new ATOM 0 HD12 LEU A 94 9.317 7.466 -6.469 1.00 0.00 H new ATOM 0 HD13 LEU A 94 7.989 7.169 -7.615 1.00 0.00 H new ATOM 0 HD21 LEU A 94 7.946 4.121 -7.177 1.00 0.00 H new ATOM 0 HD22 LEU A 94 7.808 4.943 -8.750 1.00 0.00 H new ATOM 0 HD23 LEU A 94 9.066 3.710 -8.498 1.00 0.00 H new ATOM 1436 N SER A 95 13.147 5.129 -7.875 1.00 0.00 N ATOM 1437 CA SER A 95 14.061 4.464 -6.958 1.00 0.00 C ATOM 1438 C SER A 95 13.381 4.155 -5.623 1.00 0.00 C ATOM 1439 O SER A 95 12.370 4.760 -5.264 1.00 0.00 O ATOM 1440 CB SER A 95 15.296 5.343 -6.720 1.00 0.00 C ATOM 1441 OG SER A 95 14.917 6.544 -6.076 1.00 0.00 O ATOM 0 H SER A 95 13.342 6.120 -8.016 1.00 0.00 H new ATOM 0 HA SER A 95 14.366 3.521 -7.411 1.00 0.00 H new ATOM 0 HB2 SER A 95 16.022 4.807 -6.109 1.00 0.00 H new ATOM 0 HB3 SER A 95 15.782 5.567 -7.670 1.00 0.00 H new ATOM 0 HG SER A 95 14.517 7.154 -6.730 1.00 0.00 H new ATOM 1447 N LYS A 96 13.997 3.246 -4.860 1.00 0.00 N ATOM 1448 CA LYS A 96 13.562 2.899 -3.517 1.00 0.00 C ATOM 1449 C LYS A 96 13.472 4.183 -2.685 1.00 0.00 C ATOM 1450 O LYS A 96 12.479 4.420 -2.005 1.00 0.00 O ATOM 1451 CB LYS A 96 14.570 1.897 -2.928 1.00 0.00 C ATOM 1452 CG LYS A 96 14.220 1.378 -1.526 1.00 0.00 C ATOM 1453 CD LYS A 96 12.916 0.567 -1.527 1.00 0.00 C ATOM 1454 CE LYS A 96 12.749 -0.252 -0.244 1.00 0.00 C ATOM 1455 NZ LYS A 96 12.798 0.589 0.961 1.00 0.00 N ATOM 0 H LYS A 96 14.820 2.729 -5.168 1.00 0.00 H new ATOM 0 HA LYS A 96 12.577 2.432 -3.519 1.00 0.00 H new ATOM 0 HB2 LYS A 96 14.652 1.046 -3.605 1.00 0.00 H new ATOM 0 HB3 LYS A 96 15.551 2.370 -2.890 1.00 0.00 H new ATOM 0 HG2 LYS A 96 15.035 0.756 -1.155 1.00 0.00 H new ATOM 0 HG3 LYS A 96 14.124 2.220 -0.840 1.00 0.00 H new ATOM 0 HD2 LYS A 96 12.068 1.243 -1.638 1.00 0.00 H new ATOM 0 HD3 LYS A 96 12.905 -0.102 -2.388 1.00 0.00 H new ATOM 0 HE2 LYS A 96 11.798 -0.784 -0.276 1.00 0.00 H new ATOM 0 HE3 LYS A 96 13.534 -1.006 -0.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 12.817 -0.016 1.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 13.654 1.179 0.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 11.957 1.200 0.992 1.00 0.00 H new ATOM 1469 N GLY A 97 14.509 5.025 -2.767 1.00 0.00 N ATOM 1470 CA GLY A 97 14.571 6.298 -2.068 1.00 0.00 C ATOM 1471 C GLY A 97 13.386 7.188 -2.435 1.00 0.00 C ATOM 1472 O GLY A 97 12.631 7.605 -1.556 1.00 0.00 O ATOM 0 H GLY A 97 15.337 4.831 -3.331 1.00 0.00 H new ATOM 0 HA2 GLY A 97 14.580 6.125 -0.992 1.00 0.00 H new ATOM 0 HA3 GLY A 97 15.502 6.807 -2.316 1.00 0.00 H new ATOM 1476 N GLN A 98 13.205 7.472 -3.732 1.00 0.00 N ATOM 1477 CA GLN A 98 12.090 8.298 -4.185 1.00 0.00 C ATOM 1478 C GLN A 98 10.766 7.736 -3.666 1.00 0.00 C ATOM 1479 O GLN A 98 9.924 8.484 -3.169 1.00 0.00 O ATOM 1480 CB GLN A 98 12.066 8.374 -5.715 1.00 0.00 C ATOM 1481 CG GLN A 98 13.188 9.253 -6.279 1.00 0.00 C ATOM 1482 CD GLN A 98 13.327 9.013 -7.779 1.00 0.00 C ATOM 1483 OE1 GLN A 98 13.716 7.919 -8.185 1.00 0.00 O ATOM 1484 NE2 GLN A 98 13.002 9.998 -8.608 1.00 0.00 N ATOM 0 H GLN A 98 13.816 7.141 -4.479 1.00 0.00 H new ATOM 0 HA GLN A 98 12.224 9.304 -3.788 1.00 0.00 H new ATOM 0 HB2 GLN A 98 12.155 7.369 -6.126 1.00 0.00 H new ATOM 0 HB3 GLN A 98 11.103 8.767 -6.041 1.00 0.00 H new ATOM 0 HG2 GLN A 98 12.970 10.304 -6.088 1.00 0.00 H new ATOM 0 HG3 GLN A 98 14.128 9.026 -5.776 1.00 0.00 H new ATOM 0 HE21 GLN A 98 12.683 10.893 -8.237 1.00 0.00 H new ATOM 0 HE22 GLN A 98 13.071 9.860 -9.616 1.00 0.00 H new ATOM 1493 N LEU A 99 10.582 6.416 -3.776 1.00 0.00 N ATOM 1494 CA LEU A 99 9.374 5.769 -3.301 1.00 0.00 C ATOM 1495 C LEU A 99 9.191 6.018 -1.800 1.00 0.00 C ATOM 1496 O LEU A 99 8.128 6.476 -1.393 1.00 0.00 O ATOM 1497 CB LEU A 99 9.386 4.283 -3.675 1.00 0.00 C ATOM 1498 CG LEU A 99 8.100 3.538 -3.279 1.00 0.00 C ATOM 1499 CD1 LEU A 99 6.828 4.146 -3.885 1.00 0.00 C ATOM 1500 CD2 LEU A 99 8.220 2.091 -3.758 1.00 0.00 C ATOM 0 H LEU A 99 11.262 5.781 -4.193 1.00 0.00 H new ATOM 0 HA LEU A 99 8.504 6.204 -3.793 1.00 0.00 H new ATOM 0 HB2 LEU A 99 9.534 4.189 -4.751 1.00 0.00 H new ATOM 0 HB3 LEU A 99 10.237 3.802 -3.193 1.00 0.00 H new ATOM 0 HG LEU A 99 8.004 3.612 -2.196 1.00 0.00 H new ATOM 0 HD11 LEU A 99 5.960 3.570 -3.563 1.00 0.00 H new ATOM 0 HD12 LEU A 99 6.723 5.178 -3.550 1.00 0.00 H new ATOM 0 HD13 LEU A 99 6.896 4.123 -4.973 1.00 0.00 H new ATOM 0 HD21 LEU A 99 7.318 1.542 -3.488 1.00 0.00 H new ATOM 0 HD22 LEU A 99 8.344 2.075 -4.841 1.00 0.00 H new ATOM 0 HD23 LEU A 99 9.084 1.622 -3.287 1.00 0.00 H new ATOM 1512 N LYS A 100 10.216 5.760 -0.979 1.00 0.00 N ATOM 1513 CA LYS A 100 10.138 6.022 0.456 1.00 0.00 C ATOM 1514 C LYS A 100 9.715 7.469 0.713 1.00 0.00 C ATOM 1515 O LYS A 100 8.791 7.704 1.489 1.00 0.00 O ATOM 1516 CB LYS A 100 11.469 5.734 1.162 1.00 0.00 C ATOM 1517 CG LYS A 100 11.769 4.234 1.290 1.00 0.00 C ATOM 1518 CD LYS A 100 13.073 3.993 2.067 1.00 0.00 C ATOM 1519 CE LYS A 100 12.859 3.742 3.568 1.00 0.00 C ATOM 1520 NZ LYS A 100 12.332 4.923 4.275 1.00 0.00 N ATOM 0 H LYS A 100 11.107 5.370 -1.287 1.00 0.00 H new ATOM 0 HA LYS A 100 9.387 5.348 0.868 1.00 0.00 H new ATOM 0 HB2 LYS A 100 12.277 6.215 0.611 1.00 0.00 H new ATOM 0 HB3 LYS A 100 11.451 6.181 2.156 1.00 0.00 H new ATOM 0 HG2 LYS A 100 10.943 3.737 1.798 1.00 0.00 H new ATOM 0 HG3 LYS A 100 11.846 3.790 0.298 1.00 0.00 H new ATOM 0 HD2 LYS A 100 13.591 3.137 1.634 1.00 0.00 H new ATOM 0 HD3 LYS A 100 13.726 4.857 1.941 1.00 0.00 H new ATOM 0 HE2 LYS A 100 12.169 2.909 3.698 1.00 0.00 H new ATOM 0 HE3 LYS A 100 13.805 3.445 4.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 12.413 4.778 5.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 12.878 5.764 4.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 11.333 5.061 4.023 1.00 0.00 H new ATOM 1534 N GLU A 101 10.375 8.436 0.065 1.00 0.00 N ATOM 1535 CA GLU A 101 10.040 9.844 0.238 1.00 0.00 C ATOM 1536 C GLU A 101 8.570 10.098 -0.113 1.00 0.00 C ATOM 1537 O GLU A 101 7.841 10.698 0.673 1.00 0.00 O ATOM 1538 CB GLU A 101 10.978 10.729 -0.593 1.00 0.00 C ATOM 1539 CG GLU A 101 12.435 10.666 -0.111 1.00 0.00 C ATOM 1540 CD GLU A 101 12.599 11.182 1.314 1.00 0.00 C ATOM 1541 OE1 GLU A 101 12.485 12.415 1.485 1.00 0.00 O ATOM 1542 OE2 GLU A 101 12.826 10.334 2.205 1.00 0.00 O ATOM 0 H GLU A 101 11.144 8.264 -0.583 1.00 0.00 H new ATOM 0 HA GLU A 101 10.179 10.107 1.287 1.00 0.00 H new ATOM 0 HB2 GLU A 101 10.932 10.420 -1.637 1.00 0.00 H new ATOM 0 HB3 GLU A 101 10.630 11.761 -0.550 1.00 0.00 H new ATOM 0 HG2 GLU A 101 12.788 9.636 -0.164 1.00 0.00 H new ATOM 0 HG3 GLU A 101 13.062 11.253 -0.782 1.00 0.00 H new ATOM 1549 N PHE A 102 8.130 9.633 -1.285 1.00 0.00 N ATOM 1550 CA PHE A 102 6.752 9.779 -1.742 1.00 0.00 C ATOM 1551 C PHE A 102 5.778 9.222 -0.698 1.00 0.00 C ATOM 1552 O PHE A 102 4.845 9.905 -0.269 1.00 0.00 O ATOM 1553 CB PHE A 102 6.594 9.071 -3.097 1.00 0.00 C ATOM 1554 CG PHE A 102 5.173 8.988 -3.627 1.00 0.00 C ATOM 1555 CD1 PHE A 102 4.651 10.023 -4.424 1.00 0.00 C ATOM 1556 CD2 PHE A 102 4.397 7.838 -3.382 1.00 0.00 C ATOM 1557 CE1 PHE A 102 3.375 9.891 -5.004 1.00 0.00 C ATOM 1558 CE2 PHE A 102 3.114 7.717 -3.942 1.00 0.00 C ATOM 1559 CZ PHE A 102 2.610 8.736 -4.768 1.00 0.00 C ATOM 0 H PHE A 102 8.729 9.140 -1.947 1.00 0.00 H new ATOM 0 HA PHE A 102 6.516 10.835 -1.871 1.00 0.00 H new ATOM 0 HB2 PHE A 102 7.208 9.590 -3.833 1.00 0.00 H new ATOM 0 HB3 PHE A 102 6.990 8.059 -3.008 1.00 0.00 H new ATOM 0 HD1 PHE A 102 5.230 10.920 -4.591 1.00 0.00 H new ATOM 0 HD2 PHE A 102 4.790 7.046 -2.761 1.00 0.00 H new ATOM 0 HE1 PHE A 102 2.984 10.678 -5.631 1.00 0.00 H new ATOM 0 HE2 PHE A 102 2.516 6.841 -3.738 1.00 0.00 H new ATOM 0 HZ PHE A 102 1.635 8.632 -5.221 1.00 0.00 H new ATOM 1569 N LEU A 103 5.995 7.973 -0.285 1.00 0.00 N ATOM 1570 CA LEU A 103 5.151 7.309 0.693 1.00 0.00 C ATOM 1571 C LEU A 103 5.119 8.105 1.992 1.00 0.00 C ATOM 1572 O LEU A 103 4.042 8.440 2.473 1.00 0.00 O ATOM 1573 CB LEU A 103 5.642 5.880 0.934 1.00 0.00 C ATOM 1574 CG LEU A 103 5.481 4.988 -0.306 1.00 0.00 C ATOM 1575 CD1 LEU A 103 6.197 3.663 -0.048 1.00 0.00 C ATOM 1576 CD2 LEU A 103 4.010 4.759 -0.665 1.00 0.00 C ATOM 0 H LEU A 103 6.765 7.396 -0.624 1.00 0.00 H new ATOM 0 HA LEU A 103 4.134 7.256 0.304 1.00 0.00 H new ATOM 0 HB2 LEU A 103 6.692 5.904 1.227 1.00 0.00 H new ATOM 0 HB3 LEU A 103 5.089 5.444 1.766 1.00 0.00 H new ATOM 0 HG LEU A 103 5.928 5.492 -1.163 1.00 0.00 H new ATOM 0 HD11 LEU A 103 6.092 3.017 -0.920 1.00 0.00 H new ATOM 0 HD12 LEU A 103 7.254 3.851 0.139 1.00 0.00 H new ATOM 0 HD13 LEU A 103 5.756 3.174 0.821 1.00 0.00 H new ATOM 0 HD21 LEU A 103 3.946 4.123 -1.548 1.00 0.00 H new ATOM 0 HD22 LEU A 103 3.503 4.274 0.169 1.00 0.00 H new ATOM 0 HD23 LEU A 103 3.533 5.717 -0.872 1.00 0.00 H new ATOM 1588 N ASP A 104 6.289 8.428 2.549 1.00 0.00 N ATOM 1589 CA ASP A 104 6.396 9.201 3.777 1.00 0.00 C ATOM 1590 C ASP A 104 5.607 10.505 3.659 1.00 0.00 C ATOM 1591 O ASP A 104 4.780 10.808 4.515 1.00 0.00 O ATOM 1592 CB ASP A 104 7.870 9.472 4.095 1.00 0.00 C ATOM 1593 CG ASP A 104 8.001 10.297 5.369 1.00 0.00 C ATOM 1594 OD1 ASP A 104 7.927 9.679 6.454 1.00 0.00 O ATOM 1595 OD2 ASP A 104 8.163 11.530 5.237 1.00 0.00 O ATOM 0 H ASP A 104 7.190 8.157 2.155 1.00 0.00 H new ATOM 0 HA ASP A 104 5.967 8.627 4.598 1.00 0.00 H new ATOM 0 HB2 ASP A 104 8.402 8.528 4.210 1.00 0.00 H new ATOM 0 HB3 ASP A 104 8.336 10.001 3.263 1.00 0.00 H new ATOM 1600 N ALA A 105 5.850 11.265 2.588 1.00 0.00 N ATOM 1601 CA ALA A 105 5.177 12.529 2.325 1.00 0.00 C ATOM 1602 C ALA A 105 3.654 12.370 2.301 1.00 0.00 C ATOM 1603 O ALA A 105 2.939 13.248 2.776 1.00 0.00 O ATOM 1604 CB ALA A 105 5.685 13.122 1.008 1.00 0.00 C ATOM 0 H ALA A 105 6.531 11.011 1.872 1.00 0.00 H new ATOM 0 HA ALA A 105 5.412 13.214 3.140 1.00 0.00 H new ATOM 0 HB1 ALA A 105 5.178 14.068 0.815 1.00 0.00 H new ATOM 0 HB2 ALA A 105 6.759 13.293 1.076 1.00 0.00 H new ATOM 0 HB3 ALA A 105 5.479 12.428 0.193 1.00 0.00 H new ATOM 1610 N ASN A 106 3.153 11.253 1.765 1.00 0.00 N ATOM 1611 CA ASN A 106 1.715 11.025 1.677 1.00 0.00 C ATOM 1612 C ASN A 106 1.165 10.592 3.033 1.00 0.00 C ATOM 1613 O ASN A 106 0.151 11.119 3.484 1.00 0.00 O ATOM 1614 CB ASN A 106 1.405 9.939 0.641 1.00 0.00 C ATOM 1615 CG ASN A 106 1.293 10.494 -0.771 1.00 0.00 C ATOM 1616 OD1 ASN A 106 0.193 10.771 -1.236 1.00 0.00 O ATOM 1617 ND2 ASN A 106 2.413 10.643 -1.470 1.00 0.00 N ATOM 0 H ASN A 106 3.724 10.497 1.387 1.00 0.00 H new ATOM 0 HA ASN A 106 1.242 11.959 1.372 1.00 0.00 H new ATOM 0 HB2 ASN A 106 2.188 9.181 0.669 1.00 0.00 H new ATOM 0 HB3 ASN A 106 0.472 9.443 0.908 1.00 0.00 H new ATOM 0 HD21 ASN A 106 2.374 10.998 -2.425 1.00 0.00 H new ATOM 0 HD22 ASN A 106 3.311 10.402 -1.051 1.00 0.00 H new ATOM 1624 N LEU A 107 1.820 9.632 3.687 1.00 0.00 N ATOM 1625 CA LEU A 107 1.409 9.133 4.992 1.00 0.00 C ATOM 1626 C LEU A 107 1.377 10.283 6.000 1.00 0.00 C ATOM 1627 O LEU A 107 0.420 10.420 6.758 1.00 0.00 O ATOM 1628 CB LEU A 107 2.350 8.006 5.446 1.00 0.00 C ATOM 1629 CG LEU A 107 2.199 6.724 4.608 1.00 0.00 C ATOM 1630 CD1 LEU A 107 3.414 5.821 4.840 1.00 0.00 C ATOM 1631 CD2 LEU A 107 0.921 5.954 4.970 1.00 0.00 C ATOM 0 H LEU A 107 2.656 9.178 3.320 1.00 0.00 H new ATOM 0 HA LEU A 107 0.404 8.717 4.925 1.00 0.00 H new ATOM 0 HB2 LEU A 107 3.381 8.354 5.385 1.00 0.00 H new ATOM 0 HB3 LEU A 107 2.153 7.775 6.493 1.00 0.00 H new ATOM 0 HG LEU A 107 2.133 7.014 3.560 1.00 0.00 H new ATOM 0 HD11 LEU A 107 3.310 4.912 4.248 1.00 0.00 H new ATOM 0 HD12 LEU A 107 4.321 6.347 4.541 1.00 0.00 H new ATOM 0 HD13 LEU A 107 3.477 5.560 5.897 1.00 0.00 H new ATOM 0 HD21 LEU A 107 0.851 5.056 4.356 1.00 0.00 H new ATOM 0 HD22 LEU A 107 0.951 5.673 6.023 1.00 0.00 H new ATOM 0 HD23 LEU A 107 0.052 6.586 4.788 1.00 0.00 H new ATOM 1643 N ALA A 108 2.411 11.129 5.994 1.00 0.00 N ATOM 1644 CA ALA A 108 2.487 12.292 6.862 1.00 0.00 C ATOM 1645 C ALA A 108 1.316 13.230 6.567 1.00 0.00 C ATOM 1646 O ALA A 108 1.115 14.214 7.277 1.00 0.00 O ATOM 1647 CB ALA A 108 3.830 13.000 6.654 1.00 0.00 C ATOM 0 H ALA A 108 3.219 11.020 5.381 1.00 0.00 H new ATOM 0 HA ALA A 108 2.421 11.982 7.905 1.00 0.00 H new ATOM 0 HB1 ALA A 108 3.886 13.872 7.305 1.00 0.00 H new ATOM 0 HB2 ALA A 108 4.643 12.315 6.894 1.00 0.00 H new ATOM 0 HB3 ALA A 108 3.917 13.317 5.615 1.00 0.00 H new TER 1653 ALA A 108