USER MOD reduce.3.24.130724 H: found=0, std=0, add=532, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 528 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -0.0733 X(o=-0.073,f=-0.061) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 162:sc= 0.341 USER MOD Single : A 16 HIS : no HD1:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc=-0.00701 X(o=-0.007,f=-0.097) USER MOD Single : A 21 ASN : amide:sc= -0.242 X(o=-0.24,f=-0.17) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.0728 USER MOD Single : A 26 SER OG : rot 20:sc= 0.553 USER MOD Single : A 29 GLN : amide:sc= -1.93! X(o=-1.9!,f=-2.2) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot -179:sc= -0.308 USER MOD Single : A 49 HIS : no HD1:sc= -6.18! C(o=-6.2!,f=-11!) USER MOD Single : A 51 THR OG1 : rot -10:sc= 0.245! USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.225 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot -85:sc= 1.04 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 24:sc= -0.249 USER MOD Single : A 64 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.141) USER MOD Single : A 67 SER OG : rot 33:sc= 0.904 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.822 -12.815 13.809 1.00 0.00 N ATOM 2 CA GLY A 1 1.604 -13.443 12.517 1.00 0.00 C ATOM 3 C GLY A 1 1.919 -14.939 12.574 1.00 0.00 C ATOM 4 O GLY A 1 3.024 -15.330 12.947 1.00 0.00 O ATOM 0 H1 GLY A 1 1.601 -11.801 13.744 1.00 0.00 H new ATOM 0 H2 GLY A 1 1.205 -13.259 14.519 1.00 0.00 H new ATOM 0 H3 GLY A 1 2.816 -12.936 14.090 1.00 0.00 H new ATOM 0 HA2 GLY A 1 0.569 -13.297 12.208 1.00 0.00 H new ATOM 0 HA3 GLY A 1 2.232 -12.964 11.765 1.00 0.00 H new ATOM 8 N SER A 2 0.928 -15.735 12.199 1.00 0.00 N ATOM 9 CA SER A 2 1.086 -17.179 12.203 1.00 0.00 C ATOM 10 C SER A 2 1.502 -17.664 10.812 1.00 0.00 C ATOM 11 O SER A 2 1.090 -17.093 9.803 1.00 0.00 O ATOM 12 CB SER A 2 -0.205 -17.873 12.643 1.00 0.00 C ATOM 13 OG SER A 2 0.047 -18.945 13.546 1.00 0.00 O ATOM 0 H SER A 2 0.013 -15.407 11.890 1.00 0.00 H new ATOM 0 HA SER A 2 1.867 -17.436 12.919 1.00 0.00 H new ATOM 0 HB2 SER A 2 -0.864 -17.146 13.118 1.00 0.00 H new ATOM 0 HB3 SER A 2 -0.729 -18.253 11.766 1.00 0.00 H new ATOM 0 HG SER A 2 -0.802 -19.361 13.805 1.00 0.00 H new ATOM 19 N SER A 3 2.312 -18.712 10.804 1.00 0.00 N ATOM 20 CA SER A 3 2.788 -19.280 9.554 1.00 0.00 C ATOM 21 C SER A 3 1.621 -19.453 8.580 1.00 0.00 C ATOM 22 O SER A 3 0.702 -20.229 8.837 1.00 0.00 O ATOM 23 CB SER A 3 3.486 -20.621 9.789 1.00 0.00 C ATOM 24 OG SER A 3 4.889 -20.541 9.551 1.00 0.00 O ATOM 0 H SER A 3 2.651 -19.183 11.643 1.00 0.00 H new ATOM 0 HA SER A 3 3.515 -18.593 9.121 1.00 0.00 H new ATOM 0 HB2 SER A 3 3.310 -20.947 10.814 1.00 0.00 H new ATOM 0 HB3 SER A 3 3.050 -21.376 9.135 1.00 0.00 H new ATOM 0 HG SER A 3 5.299 -21.416 9.713 1.00 0.00 H new ATOM 30 N GLY A 4 1.695 -18.716 7.481 1.00 0.00 N ATOM 31 CA GLY A 4 0.656 -18.778 6.467 1.00 0.00 C ATOM 32 C GLY A 4 -0.142 -17.473 6.419 1.00 0.00 C ATOM 33 O GLY A 4 0.383 -16.408 6.738 1.00 0.00 O ATOM 0 H GLY A 4 2.458 -18.073 7.271 1.00 0.00 H new ATOM 0 HA2 GLY A 4 1.105 -18.970 5.492 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -0.015 -19.611 6.679 1.00 0.00 H new ATOM 37 N SER A 5 -1.398 -17.600 6.018 1.00 0.00 N ATOM 38 CA SER A 5 -2.274 -16.444 5.924 1.00 0.00 C ATOM 39 C SER A 5 -1.782 -15.503 4.822 1.00 0.00 C ATOM 40 O SER A 5 -0.579 -15.379 4.598 1.00 0.00 O ATOM 41 CB SER A 5 -2.352 -15.702 7.260 1.00 0.00 C ATOM 42 OG SER A 5 -3.639 -15.820 7.861 1.00 0.00 O ATOM 0 H SER A 5 -1.830 -18.485 5.754 1.00 0.00 H new ATOM 0 HA SER A 5 -3.276 -16.793 5.674 1.00 0.00 H new ATOM 0 HB2 SER A 5 -1.597 -16.098 7.939 1.00 0.00 H new ATOM 0 HB3 SER A 5 -2.120 -14.649 7.104 1.00 0.00 H new ATOM 0 HG SER A 5 -3.648 -15.335 8.712 1.00 0.00 H new ATOM 48 N SER A 6 -2.738 -14.864 4.164 1.00 0.00 N ATOM 49 CA SER A 6 -2.417 -13.938 3.091 1.00 0.00 C ATOM 50 C SER A 6 -2.593 -12.497 3.574 1.00 0.00 C ATOM 51 O SER A 6 -3.621 -12.154 4.156 1.00 0.00 O ATOM 52 CB SER A 6 -3.291 -14.196 1.861 1.00 0.00 C ATOM 53 OG SER A 6 -2.826 -15.307 1.100 1.00 0.00 O ATOM 0 H SER A 6 -3.735 -14.969 4.353 1.00 0.00 H new ATOM 0 HA SER A 6 -1.377 -14.094 2.804 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.318 -14.378 2.178 1.00 0.00 H new ATOM 0 HB3 SER A 6 -3.304 -13.306 1.232 1.00 0.00 H new ATOM 0 HG SER A 6 -3.411 -15.440 0.325 1.00 0.00 H new ATOM 59 N GLY A 7 -1.573 -11.692 3.315 1.00 0.00 N ATOM 60 CA GLY A 7 -1.602 -10.295 3.715 1.00 0.00 C ATOM 61 C GLY A 7 -0.208 -9.671 3.628 1.00 0.00 C ATOM 62 O GLY A 7 0.265 -9.063 4.587 1.00 0.00 O ATOM 0 H GLY A 7 -0.721 -11.980 2.833 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -2.292 -9.744 3.075 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.978 -10.213 4.735 1.00 0.00 H new ATOM 66 N GLN A 8 0.412 -9.844 2.470 1.00 0.00 N ATOM 67 CA GLN A 8 1.742 -9.305 2.245 1.00 0.00 C ATOM 68 C GLN A 8 1.827 -7.868 2.763 1.00 0.00 C ATOM 69 O GLN A 8 0.810 -7.264 3.100 1.00 0.00 O ATOM 70 CB GLN A 8 2.120 -9.377 0.765 1.00 0.00 C ATOM 71 CG GLN A 8 3.128 -10.501 0.510 1.00 0.00 C ATOM 72 CD GLN A 8 2.587 -11.844 1.004 1.00 0.00 C ATOM 73 OE1 GLN A 8 1.540 -12.312 0.587 1.00 0.00 O ATOM 74 NE2 GLN A 8 3.357 -12.436 1.913 1.00 0.00 N ATOM 0 H GLN A 8 0.017 -10.350 1.677 1.00 0.00 H new ATOM 0 HA GLN A 8 2.457 -9.913 2.799 1.00 0.00 H new ATOM 0 HB2 GLN A 8 1.225 -9.543 0.165 1.00 0.00 H new ATOM 0 HB3 GLN A 8 2.544 -8.424 0.448 1.00 0.00 H new ATOM 0 HG2 GLN A 8 3.347 -10.563 -0.556 1.00 0.00 H new ATOM 0 HG3 GLN A 8 4.067 -10.275 1.016 1.00 0.00 H new ATOM 0 HE21 GLN A 8 4.221 -11.989 2.218 1.00 0.00 H new ATOM 0 HE22 GLN A 8 3.083 -13.337 2.305 1.00 0.00 H new ATOM 83 N LYS A 9 3.051 -7.361 2.810 1.00 0.00 N ATOM 84 CA LYS A 9 3.282 -6.006 3.281 1.00 0.00 C ATOM 85 C LYS A 9 3.899 -5.177 2.153 1.00 0.00 C ATOM 86 O LYS A 9 4.703 -5.685 1.372 1.00 0.00 O ATOM 87 CB LYS A 9 4.118 -6.019 4.562 1.00 0.00 C ATOM 88 CG LYS A 9 3.337 -6.646 5.719 1.00 0.00 C ATOM 89 CD LYS A 9 3.527 -5.842 7.007 1.00 0.00 C ATOM 90 CE LYS A 9 3.990 -6.744 8.153 1.00 0.00 C ATOM 91 NZ LYS A 9 2.843 -7.131 9.005 1.00 0.00 N ATOM 0 H LYS A 9 3.893 -7.864 2.530 1.00 0.00 H new ATOM 0 HA LYS A 9 2.339 -5.530 3.548 1.00 0.00 H new ATOM 0 HB2 LYS A 9 5.038 -6.578 4.394 1.00 0.00 H new ATOM 0 HB3 LYS A 9 4.407 -5.001 4.823 1.00 0.00 H new ATOM 0 HG2 LYS A 9 2.278 -6.690 5.466 1.00 0.00 H new ATOM 0 HG3 LYS A 9 3.670 -7.672 5.874 1.00 0.00 H new ATOM 0 HD2 LYS A 9 4.260 -5.052 6.842 1.00 0.00 H new ATOM 0 HD3 LYS A 9 2.590 -5.356 7.278 1.00 0.00 H new ATOM 0 HE2 LYS A 9 4.469 -7.637 7.750 1.00 0.00 H new ATOM 0 HE3 LYS A 9 4.737 -6.225 8.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 3.175 -7.743 9.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 2.403 -6.277 9.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 2.143 -7.645 8.433 1.00 0.00 H new ATOM 105 N VAL A 10 3.499 -3.914 2.102 1.00 0.00 N ATOM 106 CA VAL A 10 4.003 -3.010 1.083 1.00 0.00 C ATOM 107 C VAL A 10 4.507 -1.728 1.748 1.00 0.00 C ATOM 108 O VAL A 10 4.061 -1.373 2.838 1.00 0.00 O ATOM 109 CB VAL A 10 2.922 -2.753 0.031 1.00 0.00 C ATOM 110 CG1 VAL A 10 2.755 -3.962 -0.891 1.00 0.00 C ATOM 111 CG2 VAL A 10 1.593 -2.379 0.691 1.00 0.00 C ATOM 0 H VAL A 10 2.832 -3.496 2.750 1.00 0.00 H new ATOM 0 HA VAL A 10 4.848 -3.458 0.559 1.00 0.00 H new ATOM 0 HB VAL A 10 3.243 -1.909 -0.579 1.00 0.00 H new ATOM 0 HG11 VAL A 10 1.981 -3.753 -1.629 1.00 0.00 H new ATOM 0 HG12 VAL A 10 3.697 -4.164 -1.401 1.00 0.00 H new ATOM 0 HG13 VAL A 10 2.468 -4.833 -0.301 1.00 0.00 H new ATOM 0 HG21 VAL A 10 0.842 -2.202 -0.079 1.00 0.00 H new ATOM 0 HG22 VAL A 10 1.265 -3.194 1.337 1.00 0.00 H new ATOM 0 HG23 VAL A 10 1.724 -1.475 1.286 1.00 0.00 H new ATOM 121 N LYS A 11 5.431 -1.068 1.065 1.00 0.00 N ATOM 122 CA LYS A 11 6.000 0.167 1.576 1.00 0.00 C ATOM 123 C LYS A 11 5.767 1.289 0.563 1.00 0.00 C ATOM 124 O LYS A 11 6.027 1.120 -0.628 1.00 0.00 O ATOM 125 CB LYS A 11 7.472 -0.033 1.943 1.00 0.00 C ATOM 126 CG LYS A 11 8.193 1.310 2.072 1.00 0.00 C ATOM 127 CD LYS A 11 9.623 1.118 2.581 1.00 0.00 C ATOM 128 CE LYS A 11 9.738 1.517 4.054 1.00 0.00 C ATOM 129 NZ LYS A 11 10.647 0.595 4.771 1.00 0.00 N ATOM 0 H LYS A 11 5.800 -1.366 0.162 1.00 0.00 H new ATOM 0 HA LYS A 11 5.502 0.462 2.499 1.00 0.00 H new ATOM 0 HB2 LYS A 11 7.545 -0.580 2.883 1.00 0.00 H new ATOM 0 HB3 LYS A 11 7.961 -0.640 1.181 1.00 0.00 H new ATOM 0 HG2 LYS A 11 8.212 1.811 1.104 1.00 0.00 H new ATOM 0 HG3 LYS A 11 7.644 1.957 2.756 1.00 0.00 H new ATOM 0 HD2 LYS A 11 9.920 0.076 2.458 1.00 0.00 H new ATOM 0 HD3 LYS A 11 10.309 1.718 1.983 1.00 0.00 H new ATOM 0 HE2 LYS A 11 10.111 2.538 4.132 1.00 0.00 H new ATOM 0 HE3 LYS A 11 8.752 1.501 4.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 10.714 0.880 5.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 10.276 -0.375 4.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 11.591 0.631 4.337 1.00 0.00 H new ATOM 143 N THR A 12 5.278 2.410 1.072 1.00 0.00 N ATOM 144 CA THR A 12 5.006 3.560 0.226 1.00 0.00 C ATOM 145 C THR A 12 6.304 4.304 -0.096 1.00 0.00 C ATOM 146 O THR A 12 7.071 4.640 0.804 1.00 0.00 O ATOM 147 CB THR A 12 3.966 4.432 0.933 1.00 0.00 C ATOM 148 OG1 THR A 12 4.630 4.877 2.113 1.00 0.00 O ATOM 149 CG2 THR A 12 2.780 3.619 1.457 1.00 0.00 C ATOM 0 H THR A 12 5.063 2.547 2.060 1.00 0.00 H new ATOM 0 HA THR A 12 4.595 3.254 -0.736 1.00 0.00 H new ATOM 0 HB THR A 12 3.606 5.198 0.246 1.00 0.00 H new ATOM 0 HG1 THR A 12 4.160 5.655 2.479 1.00 0.00 H new ATOM 0 HG21 THR A 12 2.072 4.285 1.950 1.00 0.00 H new ATOM 0 HG22 THR A 12 2.287 3.117 0.625 1.00 0.00 H new ATOM 0 HG23 THR A 12 3.135 2.875 2.170 1.00 0.00 H new ATOM 157 N ILE A 13 6.509 4.539 -1.384 1.00 0.00 N ATOM 158 CA ILE A 13 7.700 5.237 -1.836 1.00 0.00 C ATOM 159 C ILE A 13 7.356 6.703 -2.107 1.00 0.00 C ATOM 160 O ILE A 13 8.242 7.514 -2.373 1.00 0.00 O ATOM 161 CB ILE A 13 8.318 4.518 -3.037 1.00 0.00 C ATOM 162 CG1 ILE A 13 7.336 4.464 -4.209 1.00 0.00 C ATOM 163 CG2 ILE A 13 8.821 3.127 -2.645 1.00 0.00 C ATOM 164 CD1 ILE A 13 7.983 3.823 -5.438 1.00 0.00 C ATOM 0 H ILE A 13 5.870 4.258 -2.128 1.00 0.00 H new ATOM 0 HA ILE A 13 8.465 5.228 -1.059 1.00 0.00 H new ATOM 0 HB ILE A 13 9.184 5.091 -3.369 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.452 3.895 -3.921 1.00 0.00 H new ATOM 0 HG13 ILE A 13 7.001 5.472 -4.454 1.00 0.00 H new ATOM 0 HG21 ILE A 13 9.255 2.638 -3.517 1.00 0.00 H new ATOM 0 HG22 ILE A 13 9.578 3.220 -1.866 1.00 0.00 H new ATOM 0 HG23 ILE A 13 7.988 2.531 -2.272 1.00 0.00 H new ATOM 0 HD11 ILE A 13 7.263 3.797 -6.256 1.00 0.00 H new ATOM 0 HD12 ILE A 13 8.853 4.408 -5.738 1.00 0.00 H new ATOM 0 HD13 ILE A 13 8.295 2.807 -5.197 1.00 0.00 H new ATOM 176 N PHE A 14 6.067 6.998 -2.031 1.00 0.00 N ATOM 177 CA PHE A 14 5.594 8.352 -2.265 1.00 0.00 C ATOM 178 C PHE A 14 4.397 8.678 -1.369 1.00 0.00 C ATOM 179 O PHE A 14 3.593 7.800 -1.058 1.00 0.00 O ATOM 180 CB PHE A 14 5.156 8.427 -3.729 1.00 0.00 C ATOM 181 CG PHE A 14 6.244 8.022 -4.725 1.00 0.00 C ATOM 182 CD1 PHE A 14 7.499 8.532 -4.607 1.00 0.00 C ATOM 183 CD2 PHE A 14 5.956 7.151 -5.730 1.00 0.00 C ATOM 184 CE1 PHE A 14 8.508 8.156 -5.532 1.00 0.00 C ATOM 185 CE2 PHE A 14 6.966 6.775 -6.655 1.00 0.00 C ATOM 186 CZ PHE A 14 8.221 7.286 -6.536 1.00 0.00 C ATOM 0 H PHE A 14 5.335 6.323 -1.811 1.00 0.00 H new ATOM 0 HA PHE A 14 6.386 9.066 -2.041 1.00 0.00 H new ATOM 0 HB2 PHE A 14 4.289 7.782 -3.872 1.00 0.00 H new ATOM 0 HB3 PHE A 14 4.836 9.445 -3.950 1.00 0.00 H new ATOM 0 HD1 PHE A 14 7.728 9.223 -3.809 1.00 0.00 H new ATOM 0 HD2 PHE A 14 4.959 6.746 -5.824 1.00 0.00 H new ATOM 0 HE1 PHE A 14 9.505 8.562 -5.438 1.00 0.00 H new ATOM 0 HE2 PHE A 14 6.738 6.084 -7.453 1.00 0.00 H new ATOM 0 HZ PHE A 14 8.989 7.000 -7.239 1.00 0.00 H new ATOM 196 N PRO A 15 4.314 9.975 -0.969 1.00 0.00 N ATOM 197 CA PRO A 15 3.229 10.427 -0.116 1.00 0.00 C ATOM 198 C PRO A 15 1.925 10.551 -0.906 1.00 0.00 C ATOM 199 O PRO A 15 1.944 10.847 -2.100 1.00 0.00 O ATOM 200 CB PRO A 15 3.704 11.752 0.457 1.00 0.00 C ATOM 201 CG PRO A 15 4.831 12.218 -0.451 1.00 0.00 C ATOM 202 CD PRO A 15 5.248 11.041 -1.318 1.00 0.00 C ATOM 0 HA PRO A 15 3.001 9.721 0.683 1.00 0.00 H new ATOM 0 HB2 PRO A 15 2.894 12.481 0.480 1.00 0.00 H new ATOM 0 HB3 PRO A 15 4.053 11.631 1.483 1.00 0.00 H new ATOM 0 HG2 PRO A 15 4.501 13.051 -1.072 1.00 0.00 H new ATOM 0 HG3 PRO A 15 5.675 12.575 0.140 1.00 0.00 H new ATOM 0 HD2 PRO A 15 5.188 11.289 -2.378 1.00 0.00 H new ATOM 0 HD3 PRO A 15 6.278 10.747 -1.117 1.00 0.00 H new ATOM 210 N HIS A 16 0.822 10.319 -0.209 1.00 0.00 N ATOM 211 CA HIS A 16 -0.488 10.401 -0.831 1.00 0.00 C ATOM 212 C HIS A 16 -1.568 10.452 0.252 1.00 0.00 C ATOM 213 O HIS A 16 -1.986 9.416 0.766 1.00 0.00 O ATOM 214 CB HIS A 16 -0.694 9.251 -1.819 1.00 0.00 C ATOM 215 CG HIS A 16 -2.040 9.262 -2.502 1.00 0.00 C ATOM 216 ND1 HIS A 16 -3.161 8.658 -1.960 1.00 0.00 N ATOM 217 CD2 HIS A 16 -2.433 9.810 -3.688 1.00 0.00 C ATOM 218 CE1 HIS A 16 -4.177 8.840 -2.791 1.00 0.00 C ATOM 219 NE2 HIS A 16 -3.724 9.554 -3.861 1.00 0.00 N ATOM 0 H HIS A 16 0.809 10.074 0.781 1.00 0.00 H new ATOM 0 HA HIS A 16 -0.561 11.320 -1.413 1.00 0.00 H new ATOM 0 HB2 HIS A 16 0.087 9.293 -2.578 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -0.574 8.305 -1.290 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -1.801 10.359 -4.370 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -5.187 8.485 -2.646 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -4.285 9.844 -4.662 1.00 0.00 H new ATOM 227 N THR A 17 -1.988 11.668 0.567 1.00 0.00 N ATOM 228 CA THR A 17 -3.010 11.868 1.580 1.00 0.00 C ATOM 229 C THR A 17 -4.404 11.748 0.961 1.00 0.00 C ATOM 230 O THR A 17 -4.650 12.263 -0.129 1.00 0.00 O ATOM 231 CB THR A 17 -2.757 13.221 2.248 1.00 0.00 C ATOM 232 OG1 THR A 17 -3.855 13.379 3.142 1.00 0.00 O ATOM 233 CG2 THR A 17 -2.900 14.392 1.273 1.00 0.00 C ATOM 0 H THR A 17 -1.639 12.525 0.138 1.00 0.00 H new ATOM 0 HA THR A 17 -2.961 11.096 2.348 1.00 0.00 H new ATOM 0 HB THR A 17 -1.757 13.229 2.681 1.00 0.00 H new ATOM 0 HG1 THR A 17 -3.769 14.231 3.618 1.00 0.00 H new ATOM 0 HG21 THR A 17 -2.710 15.328 1.798 1.00 0.00 H new ATOM 0 HG22 THR A 17 -2.181 14.279 0.461 1.00 0.00 H new ATOM 0 HG23 THR A 17 -3.910 14.404 0.864 1.00 0.00 H new ATOM 241 N ALA A 18 -5.281 11.066 1.683 1.00 0.00 N ATOM 242 CA ALA A 18 -6.644 10.872 1.218 1.00 0.00 C ATOM 243 C ALA A 18 -7.219 12.215 0.764 1.00 0.00 C ATOM 244 O ALA A 18 -7.788 12.314 -0.322 1.00 0.00 O ATOM 245 CB ALA A 18 -7.475 10.227 2.329 1.00 0.00 C ATOM 0 H ALA A 18 -5.074 10.641 2.587 1.00 0.00 H new ATOM 0 HA ALA A 18 -6.666 10.198 0.362 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -8.498 10.081 1.981 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -7.041 9.263 2.595 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -7.479 10.877 3.204 1.00 0.00 H new ATOM 251 N GLY A 19 -7.051 13.214 1.617 1.00 0.00 N ATOM 252 CA GLY A 19 -7.546 14.546 1.317 1.00 0.00 C ATOM 253 C GLY A 19 -9.073 14.554 1.218 1.00 0.00 C ATOM 254 O GLY A 19 -9.628 14.498 0.121 1.00 0.00 O ATOM 0 H GLY A 19 -6.578 13.128 2.517 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -7.225 15.241 2.093 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -7.115 14.895 0.379 1.00 0.00 H new ATOM 258 N ASN A 20 -9.709 14.624 2.378 1.00 0.00 N ATOM 259 CA ASN A 20 -11.161 14.640 2.435 1.00 0.00 C ATOM 260 C ASN A 20 -11.695 13.244 2.110 1.00 0.00 C ATOM 261 O ASN A 20 -12.369 12.626 2.932 1.00 0.00 O ATOM 262 CB ASN A 20 -11.742 15.619 1.413 1.00 0.00 C ATOM 263 CG ASN A 20 -12.703 16.604 2.082 1.00 0.00 C ATOM 264 OD1 ASN A 20 -13.553 16.240 2.877 1.00 0.00 O ATOM 265 ND2 ASN A 20 -12.520 17.870 1.717 1.00 0.00 N ATOM 0 H ASN A 20 -9.246 14.670 3.286 1.00 0.00 H new ATOM 0 HA ASN A 20 -11.456 14.949 3.438 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -10.934 16.166 0.928 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -12.266 15.067 0.633 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -13.110 18.604 2.108 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -11.789 18.107 1.046 1.00 0.00 H new ATOM 272 N ASN A 21 -11.374 12.788 0.908 1.00 0.00 N ATOM 273 CA ASN A 21 -11.814 11.476 0.463 1.00 0.00 C ATOM 274 C ASN A 21 -11.687 10.482 1.619 1.00 0.00 C ATOM 275 O ASN A 21 -10.712 10.516 2.369 1.00 0.00 O ATOM 276 CB ASN A 21 -10.950 10.969 -0.693 1.00 0.00 C ATOM 277 CG ASN A 21 -11.315 11.675 -2.001 1.00 0.00 C ATOM 278 OD1 ASN A 21 -10.866 12.772 -2.290 1.00 0.00 O ATOM 279 ND2 ASN A 21 -12.151 10.986 -2.772 1.00 0.00 N ATOM 0 H ASN A 21 -10.815 13.303 0.228 1.00 0.00 H new ATOM 0 HA ASN A 21 -12.848 11.562 0.130 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -9.897 11.138 -0.466 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -11.083 9.893 -0.807 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -12.455 11.371 -3.666 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -12.489 10.072 -2.469 1.00 0.00 H new ATOM 286 N LYS A 22 -12.687 9.619 1.728 1.00 0.00 N ATOM 287 CA LYS A 22 -12.700 8.617 2.780 1.00 0.00 C ATOM 288 C LYS A 22 -12.264 7.270 2.201 1.00 0.00 C ATOM 289 O LYS A 22 -11.773 6.408 2.927 1.00 0.00 O ATOM 290 CB LYS A 22 -14.067 8.578 3.466 1.00 0.00 C ATOM 291 CG LYS A 22 -14.011 9.250 4.840 1.00 0.00 C ATOM 292 CD LYS A 22 -14.963 8.566 5.824 1.00 0.00 C ATOM 293 CE LYS A 22 -16.271 9.349 5.954 1.00 0.00 C ATOM 294 NZ LYS A 22 -17.416 8.423 6.103 1.00 0.00 N ATOM 0 H LYS A 22 -13.494 9.593 1.105 1.00 0.00 H new ATOM 0 HA LYS A 22 -11.985 8.875 3.561 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -14.806 9.080 2.841 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -14.393 7.544 3.576 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -12.993 9.211 5.227 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -14.276 10.303 4.745 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -15.174 7.551 5.486 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -14.485 8.484 6.800 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -16.219 10.015 6.816 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -16.415 9.977 5.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -18.296 8.970 6.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -17.474 7.805 5.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -17.284 7.842 6.955 1.00 0.00 H new ATOM 308 N THR A 23 -12.460 7.131 0.898 1.00 0.00 N ATOM 309 CA THR A 23 -12.094 5.903 0.212 1.00 0.00 C ATOM 310 C THR A 23 -10.572 5.757 0.158 1.00 0.00 C ATOM 311 O THR A 23 -10.045 4.654 0.295 1.00 0.00 O ATOM 312 CB THR A 23 -12.752 5.918 -1.169 1.00 0.00 C ATOM 313 OG1 THR A 23 -12.089 6.975 -1.858 1.00 0.00 O ATOM 314 CG2 THR A 23 -14.214 6.367 -1.116 1.00 0.00 C ATOM 0 H THR A 23 -12.868 7.849 0.299 1.00 0.00 H new ATOM 0 HA THR A 23 -12.455 5.027 0.750 1.00 0.00 H new ATOM 0 HB THR A 23 -12.694 4.923 -1.610 1.00 0.00 H new ATOM 0 HG1 THR A 23 -12.453 7.054 -2.764 1.00 0.00 H new ATOM 0 HG21 THR A 23 -14.634 6.360 -2.122 1.00 0.00 H new ATOM 0 HG22 THR A 23 -14.781 5.686 -0.482 1.00 0.00 H new ATOM 0 HG23 THR A 23 -14.270 7.376 -0.707 1.00 0.00 H new ATOM 322 N LEU A 24 -9.907 6.886 -0.041 1.00 0.00 N ATOM 323 CA LEU A 24 -8.456 6.897 -0.115 1.00 0.00 C ATOM 324 C LEU A 24 -7.878 6.831 1.300 1.00 0.00 C ATOM 325 O LEU A 24 -8.575 7.112 2.273 1.00 0.00 O ATOM 326 CB LEU A 24 -7.970 8.102 -0.923 1.00 0.00 C ATOM 327 CG LEU A 24 -8.645 8.316 -2.280 1.00 0.00 C ATOM 328 CD1 LEU A 24 -8.501 9.768 -2.740 1.00 0.00 C ATOM 329 CD2 LEU A 24 -8.110 7.329 -3.320 1.00 0.00 C ATOM 0 H LEU A 24 -10.347 7.800 -0.153 1.00 0.00 H new ATOM 0 HA LEU A 24 -8.094 6.018 -0.649 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -8.115 9.000 -0.322 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -6.897 7.997 -1.086 1.00 0.00 H new ATOM 0 HG LEU A 24 -9.711 8.118 -2.167 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -8.989 9.894 -3.707 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -8.967 10.429 -2.009 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -7.444 10.017 -2.832 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -8.606 7.502 -4.275 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -7.036 7.471 -3.438 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -8.307 6.309 -2.989 1.00 0.00 H new ATOM 341 N LEU A 25 -6.608 6.458 1.369 1.00 0.00 N ATOM 342 CA LEU A 25 -5.928 6.352 2.648 1.00 0.00 C ATOM 343 C LEU A 25 -4.951 7.520 2.800 1.00 0.00 C ATOM 344 O LEU A 25 -4.568 8.146 1.813 1.00 0.00 O ATOM 345 CB LEU A 25 -5.270 4.978 2.793 1.00 0.00 C ATOM 346 CG LEU A 25 -5.086 4.470 4.224 1.00 0.00 C ATOM 347 CD1 LEU A 25 -6.435 4.310 4.927 1.00 0.00 C ATOM 348 CD2 LEU A 25 -4.270 3.176 4.246 1.00 0.00 C ATOM 0 H LEU A 25 -6.033 6.226 0.559 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.644 6.425 3.467 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.869 4.251 2.245 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.292 5.013 2.312 1.00 0.00 H new ATOM 0 HG LEU A 25 -4.520 5.216 4.781 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.275 3.948 5.943 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -6.944 5.273 4.961 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -7.048 3.595 4.379 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.154 2.836 5.275 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.787 2.410 3.667 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.287 3.358 3.811 1.00 0.00 H new ATOM 360 N SER A 26 -4.576 7.778 4.044 1.00 0.00 N ATOM 361 CA SER A 26 -3.652 8.860 4.338 1.00 0.00 C ATOM 362 C SER A 26 -2.420 8.314 5.063 1.00 0.00 C ATOM 363 O SER A 26 -2.536 7.740 6.145 1.00 0.00 O ATOM 364 CB SER A 26 -4.325 9.946 5.180 1.00 0.00 C ATOM 365 OG SER A 26 -4.610 9.497 6.502 1.00 0.00 O ATOM 0 H SER A 26 -4.895 7.256 4.860 1.00 0.00 H new ATOM 0 HA SER A 26 -3.341 9.310 3.395 1.00 0.00 H new ATOM 0 HB2 SER A 26 -3.678 10.822 5.226 1.00 0.00 H new ATOM 0 HB3 SER A 26 -5.250 10.259 4.696 1.00 0.00 H new ATOM 0 HG SER A 26 -4.054 8.717 6.709 1.00 0.00 H new ATOM 371 N PHE A 27 -1.269 8.511 4.438 1.00 0.00 N ATOM 372 CA PHE A 27 -0.017 8.045 5.010 1.00 0.00 C ATOM 373 C PHE A 27 1.165 8.859 4.479 1.00 0.00 C ATOM 374 O PHE A 27 0.997 9.701 3.598 1.00 0.00 O ATOM 375 CB PHE A 27 0.152 6.585 4.585 1.00 0.00 C ATOM 376 CG PHE A 27 -0.100 6.336 3.096 1.00 0.00 C ATOM 377 CD1 PHE A 27 0.899 6.534 2.195 1.00 0.00 C ATOM 378 CD2 PHE A 27 -1.323 5.917 2.675 1.00 0.00 C ATOM 379 CE1 PHE A 27 0.665 6.304 0.813 1.00 0.00 C ATOM 380 CE2 PHE A 27 -1.557 5.687 1.293 1.00 0.00 C ATOM 381 CZ PHE A 27 -0.558 5.885 0.392 1.00 0.00 C ATOM 0 H PHE A 27 -1.177 8.987 3.541 1.00 0.00 H new ATOM 0 HA PHE A 27 -0.040 8.153 6.094 1.00 0.00 H new ATOM 0 HB2 PHE A 27 1.163 6.261 4.831 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -0.531 5.967 5.167 1.00 0.00 H new ATOM 0 HD1 PHE A 27 1.870 6.866 2.530 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -2.116 5.759 3.391 1.00 0.00 H new ATOM 0 HE1 PHE A 27 1.458 6.462 0.097 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -2.528 5.355 0.958 1.00 0.00 H new ATOM 0 HZ PHE A 27 -0.736 5.709 -0.659 1.00 0.00 H new ATOM 391 N ALA A 28 2.333 8.579 5.037 1.00 0.00 N ATOM 392 CA ALA A 28 3.542 9.274 4.631 1.00 0.00 C ATOM 393 C ALA A 28 4.518 8.272 4.010 1.00 0.00 C ATOM 394 O ALA A 28 4.492 7.088 4.342 1.00 0.00 O ATOM 395 CB ALA A 28 4.142 10.001 5.836 1.00 0.00 C ATOM 0 H ALA A 28 2.468 7.880 5.767 1.00 0.00 H new ATOM 0 HA ALA A 28 3.316 10.026 3.875 1.00 0.00 H new ATOM 0 HB1 ALA A 28 5.049 10.523 5.531 1.00 0.00 H new ATOM 0 HB2 ALA A 28 3.421 10.722 6.222 1.00 0.00 H new ATOM 0 HB3 ALA A 28 4.384 9.277 6.614 1.00 0.00 H new ATOM 401 N GLN A 29 5.354 8.784 3.119 1.00 0.00 N ATOM 402 CA GLN A 29 6.336 7.949 2.448 1.00 0.00 C ATOM 403 C GLN A 29 7.175 7.187 3.475 1.00 0.00 C ATOM 404 O GLN A 29 7.844 7.795 4.310 1.00 0.00 O ATOM 405 CB GLN A 29 7.225 8.783 1.523 1.00 0.00 C ATOM 406 CG GLN A 29 8.313 7.919 0.882 1.00 0.00 C ATOM 407 CD GLN A 29 9.342 8.784 0.153 1.00 0.00 C ATOM 408 OE1 GLN A 29 9.479 9.971 0.399 1.00 0.00 O ATOM 409 NE2 GLN A 29 10.055 8.126 -0.757 1.00 0.00 N ATOM 0 H GLN A 29 5.372 9.767 2.846 1.00 0.00 H new ATOM 0 HA GLN A 29 5.806 7.223 1.831 1.00 0.00 H new ATOM 0 HB2 GLN A 29 6.616 9.243 0.745 1.00 0.00 H new ATOM 0 HB3 GLN A 29 7.685 9.593 2.088 1.00 0.00 H new ATOM 0 HG2 GLN A 29 8.810 7.325 1.649 1.00 0.00 H new ATOM 0 HG3 GLN A 29 7.860 7.218 0.181 1.00 0.00 H new ATOM 0 HE21 GLN A 29 9.889 7.132 -0.913 1.00 0.00 H new ATOM 0 HE22 GLN A 29 10.767 8.616 -1.299 1.00 0.00 H new ATOM 418 N GLY A 30 7.113 5.867 3.381 1.00 0.00 N ATOM 419 CA GLY A 30 7.859 5.015 4.291 1.00 0.00 C ATOM 420 C GLY A 30 6.917 4.128 5.108 1.00 0.00 C ATOM 421 O GLY A 30 7.279 3.016 5.488 1.00 0.00 O ATOM 0 H GLY A 30 6.557 5.366 2.688 1.00 0.00 H new ATOM 0 HA2 GLY A 30 8.552 4.392 3.726 1.00 0.00 H new ATOM 0 HA3 GLY A 30 8.458 5.630 4.962 1.00 0.00 H new ATOM 425 N ASP A 31 5.726 4.655 5.355 1.00 0.00 N ATOM 426 CA ASP A 31 4.729 3.925 6.120 1.00 0.00 C ATOM 427 C ASP A 31 4.538 2.536 5.507 1.00 0.00 C ATOM 428 O ASP A 31 4.778 2.341 4.317 1.00 0.00 O ATOM 429 CB ASP A 31 3.379 4.643 6.093 1.00 0.00 C ATOM 430 CG ASP A 31 3.285 5.878 6.992 1.00 0.00 C ATOM 431 OD1 ASP A 31 4.308 6.590 7.087 1.00 0.00 O ATOM 432 OD2 ASP A 31 2.192 6.082 7.564 1.00 0.00 O ATOM 0 H ASP A 31 5.429 5.578 5.039 1.00 0.00 H new ATOM 0 HA ASP A 31 5.080 3.855 7.150 1.00 0.00 H new ATOM 0 HB2 ASP A 31 3.164 4.942 5.067 1.00 0.00 H new ATOM 0 HB3 ASP A 31 2.603 3.937 6.389 1.00 0.00 H new ATOM 437 N VAL A 32 4.109 1.607 6.349 1.00 0.00 N ATOM 438 CA VAL A 32 3.883 0.242 5.904 1.00 0.00 C ATOM 439 C VAL A 32 2.392 -0.085 6.012 1.00 0.00 C ATOM 440 O VAL A 32 1.759 0.216 7.022 1.00 0.00 O ATOM 441 CB VAL A 32 4.765 -0.721 6.702 1.00 0.00 C ATOM 442 CG1 VAL A 32 4.330 -2.171 6.484 1.00 0.00 C ATOM 443 CG2 VAL A 32 6.242 -0.532 6.349 1.00 0.00 C ATOM 0 H VAL A 32 3.912 1.772 7.336 1.00 0.00 H new ATOM 0 HA VAL A 32 4.166 0.130 4.857 1.00 0.00 H new ATOM 0 HB VAL A 32 4.642 -0.490 7.760 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.973 -2.835 7.062 1.00 0.00 H new ATOM 0 HG12 VAL A 32 3.297 -2.294 6.808 1.00 0.00 H new ATOM 0 HG13 VAL A 32 4.410 -2.420 5.426 1.00 0.00 H new ATOM 0 HG21 VAL A 32 6.847 -1.228 6.930 1.00 0.00 H new ATOM 0 HG22 VAL A 32 6.389 -0.723 5.286 1.00 0.00 H new ATOM 0 HG23 VAL A 32 6.543 0.490 6.579 1.00 0.00 H new ATOM 453 N LEU A 33 1.875 -0.695 4.955 1.00 0.00 N ATOM 454 CA LEU A 33 0.471 -1.066 4.918 1.00 0.00 C ATOM 455 C LEU A 33 0.352 -2.576 4.704 1.00 0.00 C ATOM 456 O LEU A 33 1.114 -3.159 3.935 1.00 0.00 O ATOM 457 CB LEU A 33 -0.275 -0.235 3.871 1.00 0.00 C ATOM 458 CG LEU A 33 0.192 1.212 3.706 1.00 0.00 C ATOM 459 CD1 LEU A 33 0.019 1.683 2.261 1.00 0.00 C ATOM 460 CD2 LEU A 33 -0.519 2.134 4.699 1.00 0.00 C ATOM 0 H LEU A 33 2.404 -0.941 4.118 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.008 -0.841 5.871 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.186 -0.737 2.907 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.334 -0.227 4.130 1.00 0.00 H new ATOM 0 HG LEU A 33 1.257 1.255 3.933 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.359 2.715 2.172 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.608 1.048 1.599 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -1.033 1.622 1.982 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.169 3.157 4.561 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.595 2.092 4.528 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.301 1.810 5.717 1.00 0.00 H new ATOM 472 N THR A 34 -0.611 -3.165 5.397 1.00 0.00 N ATOM 473 CA THR A 34 -0.840 -4.596 5.293 1.00 0.00 C ATOM 474 C THR A 34 -1.914 -4.890 4.244 1.00 0.00 C ATOM 475 O THR A 34 -3.031 -4.381 4.334 1.00 0.00 O ATOM 476 CB THR A 34 -1.192 -5.122 6.686 1.00 0.00 C ATOM 477 OG1 THR A 34 0.012 -4.963 7.431 1.00 0.00 O ATOM 478 CG2 THR A 34 -1.439 -6.632 6.697 1.00 0.00 C ATOM 0 H THR A 34 -1.242 -2.677 6.033 1.00 0.00 H new ATOM 0 HA THR A 34 0.055 -5.115 4.950 1.00 0.00 H new ATOM 0 HB THR A 34 -2.079 -4.606 7.055 1.00 0.00 H new ATOM 0 HG1 THR A 34 -0.127 -5.278 8.348 1.00 0.00 H new ATOM 0 HG21 THR A 34 -1.685 -6.953 7.709 1.00 0.00 H new ATOM 0 HG22 THR A 34 -2.267 -6.870 6.030 1.00 0.00 H new ATOM 0 HG23 THR A 34 -0.541 -7.150 6.360 1.00 0.00 H new ATOM 486 N LEU A 35 -1.539 -5.708 3.272 1.00 0.00 N ATOM 487 CA LEU A 35 -2.457 -6.075 2.207 1.00 0.00 C ATOM 488 C LEU A 35 -3.519 -7.028 2.760 1.00 0.00 C ATOM 489 O LEU A 35 -3.233 -7.838 3.640 1.00 0.00 O ATOM 490 CB LEU A 35 -1.690 -6.638 1.009 1.00 0.00 C ATOM 491 CG LEU A 35 -0.899 -5.622 0.182 1.00 0.00 C ATOM 492 CD1 LEU A 35 0.603 -5.908 0.252 1.00 0.00 C ATOM 493 CD2 LEU A 35 -1.407 -5.575 -1.261 1.00 0.00 C ATOM 0 H LEU A 35 -0.612 -6.127 3.199 1.00 0.00 H new ATOM 0 HA LEU A 35 -2.981 -5.194 1.836 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.999 -7.399 1.370 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.400 -7.139 0.351 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.059 -4.633 0.612 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.142 -5.172 -0.344 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.936 -5.850 1.288 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.802 -6.906 -0.138 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.828 -4.845 -1.827 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.297 -6.559 -1.718 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -2.458 -5.288 -1.267 1.00 0.00 H new ATOM 505 N LEU A 36 -4.722 -6.900 2.220 1.00 0.00 N ATOM 506 CA LEU A 36 -5.827 -7.740 2.648 1.00 0.00 C ATOM 507 C LEU A 36 -6.263 -8.634 1.486 1.00 0.00 C ATOM 508 O LEU A 36 -6.410 -9.845 1.650 1.00 0.00 O ATOM 509 CB LEU A 36 -6.958 -6.885 3.223 1.00 0.00 C ATOM 510 CG LEU A 36 -6.576 -5.955 4.376 1.00 0.00 C ATOM 511 CD1 LEU A 36 -7.749 -5.051 4.764 1.00 0.00 C ATOM 512 CD2 LEU A 36 -6.047 -6.751 5.570 1.00 0.00 C ATOM 0 H LEU A 36 -4.956 -6.227 1.490 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.513 -8.399 3.457 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -7.375 -6.280 2.418 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -7.751 -7.550 3.566 1.00 0.00 H new ATOM 0 HG LEU A 36 -5.768 -5.306 4.038 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -7.450 -4.400 5.586 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -8.039 -4.443 3.907 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -8.594 -5.665 5.076 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -5.783 -6.066 6.376 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -6.817 -7.440 5.918 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.164 -7.315 5.269 1.00 0.00 H new ATOM 524 N ILE A 37 -6.457 -8.004 0.336 1.00 0.00 N ATOM 525 CA ILE A 37 -6.873 -8.728 -0.853 1.00 0.00 C ATOM 526 C ILE A 37 -5.660 -8.948 -1.760 1.00 0.00 C ATOM 527 O ILE A 37 -4.864 -8.035 -1.971 1.00 0.00 O ATOM 528 CB ILE A 37 -8.033 -8.006 -1.541 1.00 0.00 C ATOM 529 CG1 ILE A 37 -7.598 -6.631 -2.050 1.00 0.00 C ATOM 530 CG2 ILE A 37 -9.249 -7.918 -0.617 1.00 0.00 C ATOM 531 CD1 ILE A 37 -8.662 -6.024 -2.968 1.00 0.00 C ATOM 0 H ILE A 37 -6.334 -7.000 0.203 1.00 0.00 H new ATOM 0 HA ILE A 37 -7.255 -9.713 -0.586 1.00 0.00 H new ATOM 0 HB ILE A 37 -8.332 -8.591 -2.411 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -7.420 -5.966 -1.205 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -6.655 -6.721 -2.590 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -10.059 -7.400 -1.130 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -9.574 -8.923 -0.347 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -8.981 -7.368 0.285 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -8.328 -5.047 -3.316 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -8.820 -6.679 -3.824 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -9.597 -5.913 -2.418 1.00 0.00 H new ATOM 543 N PRO A 38 -5.556 -10.198 -2.287 1.00 0.00 N ATOM 544 CA PRO A 38 -4.455 -10.550 -3.167 1.00 0.00 C ATOM 545 C PRO A 38 -4.648 -9.942 -4.558 1.00 0.00 C ATOM 546 O PRO A 38 -3.725 -9.937 -5.371 1.00 0.00 O ATOM 547 CB PRO A 38 -4.433 -12.069 -3.181 1.00 0.00 C ATOM 548 CG PRO A 38 -5.800 -12.511 -2.686 1.00 0.00 C ATOM 549 CD PRO A 38 -6.481 -11.305 -2.060 1.00 0.00 C ATOM 0 HA PRO A 38 -3.499 -10.154 -2.824 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -4.240 -12.447 -4.185 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -3.642 -12.454 -2.538 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -6.397 -12.901 -3.510 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -5.700 -13.315 -1.956 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -7.449 -11.113 -2.522 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -6.660 -11.459 -0.996 1.00 0.00 H new ATOM 557 N GLU A 39 -5.854 -9.444 -4.788 1.00 0.00 N ATOM 558 CA GLU A 39 -6.181 -8.835 -6.067 1.00 0.00 C ATOM 559 C GLU A 39 -5.959 -7.322 -6.006 1.00 0.00 C ATOM 560 O GLU A 39 -5.728 -6.767 -4.932 1.00 0.00 O ATOM 561 CB GLU A 39 -7.617 -9.162 -6.479 1.00 0.00 C ATOM 562 CG GLU A 39 -7.641 -10.039 -7.733 1.00 0.00 C ATOM 563 CD GLU A 39 -7.479 -9.193 -8.997 1.00 0.00 C ATOM 564 OE1 GLU A 39 -8.133 -8.129 -9.056 1.00 0.00 O ATOM 565 OE2 GLU A 39 -6.704 -9.628 -9.876 1.00 0.00 O ATOM 0 H GLU A 39 -6.617 -9.450 -4.111 1.00 0.00 H new ATOM 0 HA GLU A 39 -5.517 -9.250 -6.825 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -8.126 -9.675 -5.663 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -8.165 -8.238 -6.666 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -6.841 -10.777 -7.680 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -8.580 -10.590 -7.778 1.00 0.00 H new ATOM 572 N GLU A 40 -6.038 -6.697 -7.172 1.00 0.00 N ATOM 573 CA GLU A 40 -5.849 -5.259 -7.264 1.00 0.00 C ATOM 574 C GLU A 40 -7.051 -4.609 -7.952 1.00 0.00 C ATOM 575 O GLU A 40 -7.596 -5.159 -8.908 1.00 0.00 O ATOM 576 CB GLU A 40 -4.549 -4.923 -7.999 1.00 0.00 C ATOM 577 CG GLU A 40 -4.605 -5.392 -9.454 1.00 0.00 C ATOM 578 CD GLU A 40 -3.253 -5.200 -10.144 1.00 0.00 C ATOM 579 OE1 GLU A 40 -2.689 -4.096 -9.990 1.00 0.00 O ATOM 580 OE2 GLU A 40 -2.815 -6.163 -10.811 1.00 0.00 O ATOM 0 H GLU A 40 -6.230 -7.160 -8.060 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.772 -4.857 -6.254 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -4.376 -3.847 -7.966 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -3.708 -5.397 -7.493 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -4.890 -6.444 -9.490 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -5.373 -4.835 -9.990 1.00 0.00 H new ATOM 587 N LYS A 41 -7.430 -3.448 -7.438 1.00 0.00 N ATOM 588 CA LYS A 41 -8.558 -2.718 -7.990 1.00 0.00 C ATOM 589 C LYS A 41 -8.105 -1.955 -9.237 1.00 0.00 C ATOM 590 O LYS A 41 -8.040 -0.727 -9.229 1.00 0.00 O ATOM 591 CB LYS A 41 -9.194 -1.826 -6.921 1.00 0.00 C ATOM 592 CG LYS A 41 -10.446 -1.132 -7.461 1.00 0.00 C ATOM 593 CD LYS A 41 -11.707 -1.919 -7.099 1.00 0.00 C ATOM 594 CE LYS A 41 -12.921 -1.392 -7.866 1.00 0.00 C ATOM 595 NZ LYS A 41 -14.163 -2.030 -7.374 1.00 0.00 N ATOM 0 H LYS A 41 -6.976 -2.995 -6.645 1.00 0.00 H new ATOM 0 HA LYS A 41 -9.341 -3.408 -8.304 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -9.454 -2.426 -6.049 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -8.473 -1.078 -6.590 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -10.512 -0.124 -7.052 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -10.373 -1.033 -8.544 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -11.559 -2.975 -7.326 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -11.890 -1.846 -6.027 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -12.990 -0.310 -7.750 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -12.800 -1.591 -8.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -14.977 -1.661 -7.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -14.101 -3.060 -7.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -14.285 -1.819 -6.363 1.00 0.00 H new ATOM 609 N ASP A 42 -7.802 -2.716 -10.279 1.00 0.00 N ATOM 610 CA ASP A 42 -7.357 -2.127 -11.531 1.00 0.00 C ATOM 611 C ASP A 42 -6.077 -1.325 -11.285 1.00 0.00 C ATOM 612 O ASP A 42 -5.983 -0.165 -11.682 1.00 0.00 O ATOM 613 CB ASP A 42 -8.411 -1.174 -12.097 1.00 0.00 C ATOM 614 CG ASP A 42 -9.642 -1.855 -12.698 1.00 0.00 C ATOM 615 OD1 ASP A 42 -9.880 -3.026 -12.330 1.00 0.00 O ATOM 616 OD2 ASP A 42 -10.318 -1.190 -13.512 1.00 0.00 O ATOM 0 H ASP A 42 -7.856 -3.735 -10.282 1.00 0.00 H new ATOM 0 HA ASP A 42 -7.184 -2.935 -12.241 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -8.737 -0.503 -11.302 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -7.945 -0.556 -12.864 1.00 0.00 H new ATOM 621 N GLY A 43 -5.125 -1.976 -10.633 1.00 0.00 N ATOM 622 CA GLY A 43 -3.855 -1.337 -10.331 1.00 0.00 C ATOM 623 C GLY A 43 -3.767 -0.967 -8.849 1.00 0.00 C ATOM 624 O GLY A 43 -2.760 -1.237 -8.197 1.00 0.00 O ATOM 0 H GLY A 43 -5.207 -2.939 -10.306 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -3.036 -2.007 -10.592 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -3.740 -0.441 -10.941 1.00 0.00 H new ATOM 628 N TRP A 44 -4.836 -0.355 -8.360 1.00 0.00 N ATOM 629 CA TRP A 44 -4.892 0.055 -6.967 1.00 0.00 C ATOM 630 C TRP A 44 -4.939 -1.207 -6.104 1.00 0.00 C ATOM 631 O TRP A 44 -5.437 -2.244 -6.541 1.00 0.00 O ATOM 632 CB TRP A 44 -6.075 0.993 -6.719 1.00 0.00 C ATOM 633 CG TRP A 44 -5.894 2.393 -7.310 1.00 0.00 C ATOM 634 CD1 TRP A 44 -5.638 2.725 -8.582 1.00 0.00 C ATOM 635 CD2 TRP A 44 -5.966 3.644 -6.594 1.00 0.00 C ATOM 636 NE1 TRP A 44 -5.540 4.093 -8.739 1.00 0.00 N ATOM 637 CE2 TRP A 44 -5.746 4.669 -7.491 1.00 0.00 C ATOM 638 CE3 TRP A 44 -6.209 3.901 -5.233 1.00 0.00 C ATOM 639 CZ2 TRP A 44 -5.747 6.021 -7.126 1.00 0.00 C ATOM 640 CZ3 TRP A 44 -6.207 5.257 -4.884 1.00 0.00 C ATOM 641 CH2 TRP A 44 -5.987 6.301 -5.775 1.00 0.00 C ATOM 0 H TRP A 44 -5.670 -0.133 -8.904 1.00 0.00 H new ATOM 0 HA TRP A 44 -4.005 0.628 -6.698 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -6.975 0.545 -7.141 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -6.236 1.081 -5.645 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -5.523 2.012 -9.385 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -5.351 4.589 -9.610 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -6.383 3.115 -4.514 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -5.572 6.805 -7.847 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -6.389 5.510 -3.850 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -6.001 7.323 -5.427 1.00 0.00 H new ATOM 652 N LEU A 45 -4.413 -1.078 -4.895 1.00 0.00 N ATOM 653 CA LEU A 45 -4.389 -2.196 -3.967 1.00 0.00 C ATOM 654 C LEU A 45 -4.924 -1.737 -2.609 1.00 0.00 C ATOM 655 O LEU A 45 -4.785 -0.571 -2.245 1.00 0.00 O ATOM 656 CB LEU A 45 -2.988 -2.807 -3.901 1.00 0.00 C ATOM 657 CG LEU A 45 -2.698 -3.930 -4.900 1.00 0.00 C ATOM 658 CD1 LEU A 45 -1.204 -4.258 -4.938 1.00 0.00 C ATOM 659 CD2 LEU A 45 -3.549 -5.165 -4.598 1.00 0.00 C ATOM 0 H LEU A 45 -4.000 -0.217 -4.537 1.00 0.00 H new ATOM 0 HA LEU A 45 -5.044 -2.995 -4.315 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.259 -2.012 -4.057 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.829 -3.193 -2.894 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.976 -3.583 -5.895 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.025 -5.059 -5.656 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.644 -3.372 -5.237 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.876 -4.577 -3.949 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.324 -5.948 -5.322 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.325 -5.524 -3.594 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.605 -4.904 -4.663 1.00 0.00 H new ATOM 671 N TYR A 46 -5.525 -2.679 -1.897 1.00 0.00 N ATOM 672 CA TYR A 46 -6.082 -2.387 -0.587 1.00 0.00 C ATOM 673 C TYR A 46 -5.219 -2.990 0.523 1.00 0.00 C ATOM 674 O TYR A 46 -4.530 -3.986 0.307 1.00 0.00 O ATOM 675 CB TYR A 46 -7.462 -3.046 -0.559 1.00 0.00 C ATOM 676 CG TYR A 46 -8.379 -2.524 0.550 1.00 0.00 C ATOM 677 CD1 TYR A 46 -8.910 -1.253 0.464 1.00 0.00 C ATOM 678 CD2 TYR A 46 -8.674 -3.323 1.635 1.00 0.00 C ATOM 679 CE1 TYR A 46 -9.773 -0.762 1.507 1.00 0.00 C ATOM 680 CE2 TYR A 46 -9.536 -2.832 2.678 1.00 0.00 C ATOM 681 CZ TYR A 46 -10.043 -1.575 2.563 1.00 0.00 C ATOM 682 OH TYR A 46 -10.858 -1.111 3.548 1.00 0.00 O ATOM 0 H TYR A 46 -5.638 -3.645 -2.203 1.00 0.00 H new ATOM 0 HA TYR A 46 -6.129 -1.311 -0.422 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -7.948 -2.889 -1.522 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -7.337 -4.122 -0.437 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -8.678 -0.627 -0.385 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -8.258 -4.317 1.702 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -10.196 0.230 1.452 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -9.775 -3.448 3.533 1.00 0.00 H new ATOM 0 HH TYR A 46 -10.950 -1.794 4.245 1.00 0.00 H new ATOM 692 N GLY A 47 -5.285 -2.361 1.688 1.00 0.00 N ATOM 693 CA GLY A 47 -4.518 -2.823 2.832 1.00 0.00 C ATOM 694 C GLY A 47 -4.907 -2.058 4.098 1.00 0.00 C ATOM 695 O GLY A 47 -5.826 -1.240 4.076 1.00 0.00 O ATOM 0 H GLY A 47 -5.858 -1.536 1.864 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -4.687 -3.889 2.981 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -3.453 -2.693 2.637 1.00 0.00 H new ATOM 699 N GLU A 48 -4.189 -2.351 5.172 1.00 0.00 N ATOM 700 CA GLU A 48 -4.448 -1.700 6.446 1.00 0.00 C ATOM 701 C GLU A 48 -3.241 -0.859 6.867 1.00 0.00 C ATOM 702 O GLU A 48 -2.099 -1.294 6.730 1.00 0.00 O ATOM 703 CB GLU A 48 -4.804 -2.727 7.523 1.00 0.00 C ATOM 704 CG GLU A 48 -5.225 -2.035 8.821 1.00 0.00 C ATOM 705 CD GLU A 48 -6.127 -2.943 9.659 1.00 0.00 C ATOM 706 OE1 GLU A 48 -6.985 -3.613 9.044 1.00 0.00 O ATOM 707 OE2 GLU A 48 -5.940 -2.946 10.895 1.00 0.00 O ATOM 0 H GLU A 48 -3.428 -3.030 5.187 1.00 0.00 H new ATOM 0 HA GLU A 48 -5.304 -1.036 6.326 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -5.613 -3.366 7.168 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.947 -3.373 7.712 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -4.340 -1.764 9.397 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -5.750 -1.108 8.589 1.00 0.00 H new ATOM 714 N HIS A 49 -3.536 0.330 7.371 1.00 0.00 N ATOM 715 CA HIS A 49 -2.490 1.236 7.813 1.00 0.00 C ATOM 716 C HIS A 49 -1.924 0.753 9.151 1.00 0.00 C ATOM 717 O HIS A 49 -2.663 0.250 9.996 1.00 0.00 O ATOM 718 CB HIS A 49 -3.006 2.675 7.872 1.00 0.00 C ATOM 719 CG HIS A 49 -1.915 3.718 7.900 1.00 0.00 C ATOM 720 ND1 HIS A 49 -0.944 3.762 8.886 1.00 0.00 N ATOM 721 CD2 HIS A 49 -1.650 4.754 7.053 1.00 0.00 C ATOM 722 CE1 HIS A 49 -0.138 4.783 8.634 1.00 0.00 C ATOM 723 NE2 HIS A 49 -0.578 5.397 7.498 1.00 0.00 N ATOM 0 H HIS A 49 -4.485 0.687 7.483 1.00 0.00 H new ATOM 0 HA HIS A 49 -1.674 1.234 7.091 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -3.646 2.856 7.008 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -3.628 2.791 8.759 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -2.217 5.008 6.170 1.00 0.00 H new ATOM 0 HE1 HIS A 49 0.717 5.077 9.224 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -0.153 6.216 7.062 1.00 0.00 H new ATOM 731 N ASP A 50 -0.619 0.924 9.301 1.00 0.00 N ATOM 732 CA ASP A 50 0.054 0.512 10.521 1.00 0.00 C ATOM 733 C ASP A 50 0.055 1.675 11.515 1.00 0.00 C ATOM 734 O ASP A 50 1.058 1.926 12.181 1.00 0.00 O ATOM 735 CB ASP A 50 1.508 0.124 10.245 1.00 0.00 C ATOM 736 CG ASP A 50 2.109 -0.878 11.232 1.00 0.00 C ATOM 737 OD1 ASP A 50 1.850 -2.086 11.043 1.00 0.00 O ATOM 738 OD2 ASP A 50 2.814 -0.413 12.154 1.00 0.00 O ATOM 0 H ASP A 50 -0.010 1.342 8.598 1.00 0.00 H new ATOM 0 HA ASP A 50 -0.478 -0.349 10.925 1.00 0.00 H new ATOM 0 HB2 ASP A 50 1.572 -0.295 9.241 1.00 0.00 H new ATOM 0 HB3 ASP A 50 2.117 1.028 10.252 1.00 0.00 H new ATOM 743 N THR A 51 -1.081 2.354 11.584 1.00 0.00 N ATOM 744 CA THR A 51 -1.223 3.485 12.486 1.00 0.00 C ATOM 745 C THR A 51 -2.702 3.761 12.765 1.00 0.00 C ATOM 746 O THR A 51 -3.240 3.316 13.777 1.00 0.00 O ATOM 747 CB THR A 51 -0.488 4.676 11.869 1.00 0.00 C ATOM 748 OG1 THR A 51 0.886 4.297 11.913 1.00 0.00 O ATOM 749 CG2 THR A 51 -0.558 5.926 12.749 1.00 0.00 C ATOM 0 H THR A 51 -1.911 2.143 11.030 1.00 0.00 H new ATOM 0 HA THR A 51 -0.775 3.276 13.457 1.00 0.00 H new ATOM 0 HB THR A 51 -0.912 4.897 10.890 1.00 0.00 H new ATOM 0 HG1 THR A 51 0.985 3.488 12.457 1.00 0.00 H new ATOM 0 HG21 THR A 51 -0.021 6.742 12.265 1.00 0.00 H new ATOM 0 HG22 THR A 51 -1.600 6.212 12.892 1.00 0.00 H new ATOM 0 HG23 THR A 51 -0.103 5.716 13.717 1.00 0.00 H new ATOM 757 N THR A 52 -3.316 4.495 11.849 1.00 0.00 N ATOM 758 CA THR A 52 -4.722 4.837 11.984 1.00 0.00 C ATOM 759 C THR A 52 -5.548 3.586 12.292 1.00 0.00 C ATOM 760 O THR A 52 -6.625 3.678 12.879 1.00 0.00 O ATOM 761 CB THR A 52 -5.159 5.554 10.705 1.00 0.00 C ATOM 762 OG1 THR A 52 -4.527 4.818 9.661 1.00 0.00 O ATOM 763 CG2 THR A 52 -4.561 6.957 10.586 1.00 0.00 C ATOM 0 H THR A 52 -2.866 4.862 11.011 1.00 0.00 H new ATOM 0 HA THR A 52 -4.886 5.512 12.824 1.00 0.00 H new ATOM 0 HB THR A 52 -6.247 5.620 10.680 1.00 0.00 H new ATOM 0 HG1 THR A 52 -4.758 5.214 8.795 1.00 0.00 H new ATOM 0 HG21 THR A 52 -4.903 7.421 9.661 1.00 0.00 H new ATOM 0 HG22 THR A 52 -4.880 7.562 11.435 1.00 0.00 H new ATOM 0 HG23 THR A 52 -3.473 6.889 10.577 1.00 0.00 H new ATOM 771 N LYS A 53 -5.011 2.446 11.882 1.00 0.00 N ATOM 772 CA LYS A 53 -5.684 1.178 12.107 1.00 0.00 C ATOM 773 C LYS A 53 -6.829 1.029 11.104 1.00 0.00 C ATOM 774 O LYS A 53 -7.544 0.028 11.116 1.00 0.00 O ATOM 775 CB LYS A 53 -6.126 1.058 13.567 1.00 0.00 C ATOM 776 CG LYS A 53 -5.391 -0.085 14.270 1.00 0.00 C ATOM 777 CD LYS A 53 -3.898 0.221 14.401 1.00 0.00 C ATOM 778 CE LYS A 53 -3.518 0.485 15.859 1.00 0.00 C ATOM 779 NZ LYS A 53 -2.109 0.927 15.956 1.00 0.00 N ATOM 0 H LYS A 53 -4.118 2.374 11.395 1.00 0.00 H new ATOM 0 HA LYS A 53 -4.999 0.347 11.936 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -5.931 1.995 14.088 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -7.201 0.886 13.612 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -5.821 -0.245 15.259 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -5.528 -1.010 13.709 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -3.316 -0.617 14.016 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -3.647 1.090 13.793 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -4.174 1.247 16.280 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -3.663 -0.421 16.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -1.868 1.102 16.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -1.486 0.187 15.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -1.982 1.803 15.410 1.00 0.00 H new ATOM 793 N ALA A 54 -6.969 2.040 10.259 1.00 0.00 N ATOM 794 CA ALA A 54 -8.015 2.034 9.251 1.00 0.00 C ATOM 795 C ALA A 54 -7.433 1.553 7.920 1.00 0.00 C ATOM 796 O ALA A 54 -6.219 1.579 7.725 1.00 0.00 O ATOM 797 CB ALA A 54 -8.632 3.431 9.146 1.00 0.00 C ATOM 0 H ALA A 54 -6.375 2.869 10.252 1.00 0.00 H new ATOM 0 HA ALA A 54 -8.812 1.345 9.531 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -9.417 3.426 8.390 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -9.058 3.714 10.109 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -7.861 4.149 8.865 1.00 0.00 H new ATOM 803 N ARG A 55 -8.326 1.126 7.040 1.00 0.00 N ATOM 804 CA ARG A 55 -7.916 0.639 5.734 1.00 0.00 C ATOM 805 C ARG A 55 -8.519 1.510 4.630 1.00 0.00 C ATOM 806 O ARG A 55 -9.695 1.867 4.689 1.00 0.00 O ATOM 807 CB ARG A 55 -8.352 -0.812 5.524 1.00 0.00 C ATOM 808 CG ARG A 55 -7.873 -1.700 6.675 1.00 0.00 C ATOM 809 CD ARG A 55 -9.045 -2.445 7.317 1.00 0.00 C ATOM 810 NE ARG A 55 -9.136 -2.102 8.754 1.00 0.00 N ATOM 811 CZ ARG A 55 -10.114 -2.524 9.567 1.00 0.00 C ATOM 812 NH1 ARG A 55 -11.090 -3.308 9.089 1.00 0.00 N ATOM 813 NH2 ARG A 55 -10.116 -2.163 10.857 1.00 0.00 N ATOM 0 H ARG A 55 -9.332 1.107 7.206 1.00 0.00 H new ATOM 0 HA ARG A 55 -6.828 0.689 5.689 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -9.438 -0.862 5.449 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -7.950 -1.184 4.581 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -7.140 -2.417 6.305 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -7.371 -1.089 7.425 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -9.974 -2.182 6.812 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -8.912 -3.520 7.199 1.00 0.00 H new ATOM 0 HE ARG A 55 -8.408 -1.507 9.150 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -11.088 -3.583 8.107 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -11.835 -3.630 9.707 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -9.373 -1.567 11.221 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -10.861 -2.485 11.475 1.00 0.00 H new ATOM 827 N GLY A 56 -7.687 1.827 3.648 1.00 0.00 N ATOM 828 CA GLY A 56 -8.124 2.649 2.533 1.00 0.00 C ATOM 829 C GLY A 56 -7.677 2.046 1.199 1.00 0.00 C ATOM 830 O GLY A 56 -7.214 0.907 1.153 1.00 0.00 O ATOM 0 H GLY A 56 -6.713 1.529 3.602 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -9.210 2.742 2.549 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -7.717 3.655 2.636 1.00 0.00 H new ATOM 834 N TRP A 57 -7.831 2.837 0.148 1.00 0.00 N ATOM 835 CA TRP A 57 -7.448 2.396 -1.183 1.00 0.00 C ATOM 836 C TRP A 57 -6.241 3.225 -1.627 1.00 0.00 C ATOM 837 O TRP A 57 -6.224 4.443 -1.457 1.00 0.00 O ATOM 838 CB TRP A 57 -8.628 2.491 -2.152 1.00 0.00 C ATOM 839 CG TRP A 57 -9.721 1.449 -1.907 1.00 0.00 C ATOM 840 CD1 TRP A 57 -10.829 1.574 -1.163 1.00 0.00 C ATOM 841 CD2 TRP A 57 -9.766 0.109 -2.440 1.00 0.00 C ATOM 842 NE1 TRP A 57 -11.581 0.418 -1.178 1.00 0.00 N ATOM 843 CE2 TRP A 57 -10.914 -0.502 -1.979 1.00 0.00 C ATOM 844 CE3 TRP A 57 -8.866 -0.566 -3.284 1.00 0.00 C ATOM 845 CZ2 TRP A 57 -11.269 -1.816 -2.308 1.00 0.00 C ATOM 846 CZ3 TRP A 57 -9.235 -1.878 -3.603 1.00 0.00 C ATOM 847 CH2 TRP A 57 -10.387 -2.507 -3.147 1.00 0.00 C ATOM 0 H TRP A 57 -8.216 3.781 0.191 1.00 0.00 H new ATOM 0 HA TRP A 57 -7.163 1.344 -1.174 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -9.066 3.486 -2.078 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -8.258 2.381 -3.171 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -11.099 2.468 -0.620 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -12.464 0.266 -0.691 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -7.962 -0.108 -3.657 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -12.174 -2.272 -1.935 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -8.578 -2.441 -4.249 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -10.601 -3.525 -3.439 1.00 0.00 H new ATOM 858 N PHE A 58 -5.261 2.531 -2.187 1.00 0.00 N ATOM 859 CA PHE A 58 -4.053 3.188 -2.656 1.00 0.00 C ATOM 860 C PHE A 58 -3.553 2.552 -3.955 1.00 0.00 C ATOM 861 O PHE A 58 -3.785 1.370 -4.201 1.00 0.00 O ATOM 862 CB PHE A 58 -2.992 3.002 -1.570 1.00 0.00 C ATOM 863 CG PHE A 58 -2.791 1.548 -1.138 1.00 0.00 C ATOM 864 CD1 PHE A 58 -1.949 0.741 -1.839 1.00 0.00 C ATOM 865 CD2 PHE A 58 -3.453 1.063 -0.055 1.00 0.00 C ATOM 866 CE1 PHE A 58 -1.762 -0.608 -1.438 1.00 0.00 C ATOM 867 CE2 PHE A 58 -3.267 -0.287 0.346 1.00 0.00 C ATOM 868 CZ PHE A 58 -2.425 -1.094 -0.354 1.00 0.00 C ATOM 0 H PHE A 58 -5.279 1.521 -2.326 1.00 0.00 H new ATOM 0 HA PHE A 58 -4.254 4.241 -2.852 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -2.043 3.397 -1.932 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -3.272 3.594 -0.698 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -1.423 1.127 -2.700 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -4.121 1.704 0.501 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -1.093 -1.249 -1.994 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -3.794 -0.672 1.206 1.00 0.00 H new ATOM 0 HZ PHE A 58 -2.283 -2.120 -0.049 1.00 0.00 H new ATOM 878 N PRO A 59 -2.858 3.387 -4.773 1.00 0.00 N ATOM 879 CA PRO A 59 -2.323 2.919 -6.040 1.00 0.00 C ATOM 880 C PRO A 59 -1.086 2.045 -5.824 1.00 0.00 C ATOM 881 O PRO A 59 -0.102 2.490 -5.236 1.00 0.00 O ATOM 882 CB PRO A 59 -2.026 4.182 -6.832 1.00 0.00 C ATOM 883 CG PRO A 59 -1.968 5.309 -5.814 1.00 0.00 C ATOM 884 CD PRO A 59 -2.563 4.794 -4.514 1.00 0.00 C ATOM 0 HA PRO A 59 -3.021 2.280 -6.581 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -1.082 4.093 -7.370 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -2.801 4.367 -7.576 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -0.938 5.632 -5.661 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -2.524 6.175 -6.172 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -1.863 4.906 -3.686 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -3.465 5.345 -4.246 1.00 0.00 H new ATOM 892 N SER A 60 -1.176 0.816 -6.312 1.00 0.00 N ATOM 893 CA SER A 60 -0.077 -0.124 -6.179 1.00 0.00 C ATOM 894 C SER A 60 1.230 0.532 -6.627 1.00 0.00 C ATOM 895 O SER A 60 2.312 0.114 -6.216 1.00 0.00 O ATOM 896 CB SER A 60 -0.339 -1.395 -6.991 1.00 0.00 C ATOM 897 OG SER A 60 -0.370 -1.136 -8.392 1.00 0.00 O ATOM 0 H SER A 60 -1.994 0.450 -6.800 1.00 0.00 H new ATOM 0 HA SER A 60 0.007 -0.406 -5.129 1.00 0.00 H new ATOM 0 HB2 SER A 60 0.437 -2.130 -6.775 1.00 0.00 H new ATOM 0 HB3 SER A 60 -1.288 -1.833 -6.682 1.00 0.00 H new ATOM 0 HG SER A 60 -1.267 -0.839 -8.650 1.00 0.00 H new ATOM 903 N SER A 61 1.088 1.549 -7.464 1.00 0.00 N ATOM 904 CA SER A 61 2.244 2.268 -7.972 1.00 0.00 C ATOM 905 C SER A 61 2.882 3.092 -6.852 1.00 0.00 C ATOM 906 O SER A 61 4.097 3.287 -6.835 1.00 0.00 O ATOM 907 CB SER A 61 1.859 3.173 -9.144 1.00 0.00 C ATOM 908 OG SER A 61 2.611 2.876 -10.318 1.00 0.00 O ATOM 0 H SER A 61 0.189 1.892 -7.803 1.00 0.00 H new ATOM 0 HA SER A 61 2.968 1.538 -8.335 1.00 0.00 H new ATOM 0 HB2 SER A 61 0.796 3.059 -9.356 1.00 0.00 H new ATOM 0 HB3 SER A 61 2.018 4.215 -8.865 1.00 0.00 H new ATOM 0 HG SER A 61 2.335 3.474 -11.044 1.00 0.00 H new ATOM 914 N TYR A 62 2.035 3.554 -5.945 1.00 0.00 N ATOM 915 CA TYR A 62 2.500 4.352 -4.824 1.00 0.00 C ATOM 916 C TYR A 62 2.959 3.461 -3.668 1.00 0.00 C ATOM 917 O TYR A 62 3.186 3.943 -2.560 1.00 0.00 O ATOM 918 CB TYR A 62 1.297 5.180 -4.367 1.00 0.00 C ATOM 919 CG TYR A 62 1.188 6.547 -5.046 1.00 0.00 C ATOM 920 CD1 TYR A 62 1.220 6.638 -6.422 1.00 0.00 C ATOM 921 CD2 TYR A 62 1.058 7.688 -4.281 1.00 0.00 C ATOM 922 CE1 TYR A 62 1.118 7.924 -7.061 1.00 0.00 C ATOM 923 CE2 TYR A 62 0.955 8.975 -4.920 1.00 0.00 C ATOM 924 CZ TYR A 62 0.990 9.029 -6.279 1.00 0.00 C ATOM 925 OH TYR A 62 0.893 10.244 -6.882 1.00 0.00 O ATOM 0 H TYR A 62 1.028 3.391 -5.964 1.00 0.00 H new ATOM 0 HA TYR A 62 3.346 4.972 -5.120 1.00 0.00 H new ATOM 0 HB2 TYR A 62 0.385 4.615 -4.562 1.00 0.00 H new ATOM 0 HB3 TYR A 62 1.358 5.325 -3.288 1.00 0.00 H new ATOM 0 HD1 TYR A 62 1.322 5.744 -7.020 1.00 0.00 H new ATOM 0 HD2 TYR A 62 1.033 7.616 -3.204 1.00 0.00 H new ATOM 0 HE1 TYR A 62 1.143 8.009 -8.137 1.00 0.00 H new ATOM 0 HE2 TYR A 62 0.852 9.876 -4.334 1.00 0.00 H new ATOM 0 HH TYR A 62 0.805 10.942 -6.200 1.00 0.00 H new ATOM 935 N THR A 63 3.083 2.176 -3.968 1.00 0.00 N ATOM 936 CA THR A 63 3.511 1.213 -2.968 1.00 0.00 C ATOM 937 C THR A 63 4.370 0.122 -3.611 1.00 0.00 C ATOM 938 O THR A 63 4.219 -0.174 -4.795 1.00 0.00 O ATOM 939 CB THR A 63 2.263 0.670 -2.269 1.00 0.00 C ATOM 940 OG1 THR A 63 1.395 0.308 -3.341 1.00 0.00 O ATOM 941 CG2 THR A 63 1.493 1.757 -1.517 1.00 0.00 C ATOM 0 H THR A 63 2.895 1.780 -4.889 1.00 0.00 H new ATOM 0 HA THR A 63 4.145 1.681 -2.215 1.00 0.00 H new ATOM 0 HB THR A 63 2.551 -0.118 -1.573 1.00 0.00 H new ATOM 0 HG1 THR A 63 1.925 0.141 -4.149 1.00 0.00 H new ATOM 0 HG21 THR A 63 0.617 1.318 -1.039 1.00 0.00 H new ATOM 0 HG22 THR A 63 2.137 2.200 -0.757 1.00 0.00 H new ATOM 0 HG23 THR A 63 1.175 2.529 -2.218 1.00 0.00 H new ATOM 949 N LYS A 64 5.253 -0.445 -2.802 1.00 0.00 N ATOM 950 CA LYS A 64 6.137 -1.496 -3.277 1.00 0.00 C ATOM 951 C LYS A 64 6.127 -2.655 -2.279 1.00 0.00 C ATOM 952 O LYS A 64 5.770 -2.474 -1.116 1.00 0.00 O ATOM 953 CB LYS A 64 7.533 -0.937 -3.556 1.00 0.00 C ATOM 954 CG LYS A 64 8.017 -0.066 -2.395 1.00 0.00 C ATOM 955 CD LYS A 64 9.534 -0.174 -2.225 1.00 0.00 C ATOM 956 CE LYS A 64 9.955 0.210 -0.805 1.00 0.00 C ATOM 957 NZ LYS A 64 10.610 -0.933 -0.131 1.00 0.00 N ATOM 0 H LYS A 64 5.375 -0.196 -1.820 1.00 0.00 H new ATOM 0 HA LYS A 64 5.781 -1.891 -4.229 1.00 0.00 H new ATOM 0 HB2 LYS A 64 8.232 -1.758 -3.715 1.00 0.00 H new ATOM 0 HB3 LYS A 64 7.517 -0.349 -4.474 1.00 0.00 H new ATOM 0 HG2 LYS A 64 7.741 0.973 -2.575 1.00 0.00 H new ATOM 0 HG3 LYS A 64 7.521 -0.373 -1.474 1.00 0.00 H new ATOM 0 HD2 LYS A 64 9.856 -1.193 -2.441 1.00 0.00 H new ATOM 0 HD3 LYS A 64 10.031 0.477 -2.944 1.00 0.00 H new ATOM 0 HE2 LYS A 64 10.637 1.059 -0.839 1.00 0.00 H new ATOM 0 HE3 LYS A 64 9.082 0.525 -0.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 11.067 -0.605 0.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 9.897 -1.654 0.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 11.326 -1.345 -0.763 1.00 0.00 H new ATOM 971 N LEU A 65 6.523 -3.820 -2.770 1.00 0.00 N ATOM 972 CA LEU A 65 6.564 -5.009 -1.935 1.00 0.00 C ATOM 973 C LEU A 65 7.780 -4.935 -1.010 1.00 0.00 C ATOM 974 O LEU A 65 8.887 -4.635 -1.456 1.00 0.00 O ATOM 975 CB LEU A 65 6.523 -6.272 -2.798 1.00 0.00 C ATOM 976 CG LEU A 65 5.139 -6.709 -3.281 1.00 0.00 C ATOM 977 CD1 LEU A 65 5.201 -7.237 -4.716 1.00 0.00 C ATOM 978 CD2 LEU A 65 4.519 -7.727 -2.322 1.00 0.00 C ATOM 0 H LEU A 65 6.818 -3.966 -3.735 1.00 0.00 H new ATOM 0 HA LEU A 65 5.681 -5.058 -1.298 1.00 0.00 H new ATOM 0 HB2 LEU A 65 7.157 -6.113 -3.670 1.00 0.00 H new ATOM 0 HB3 LEU A 65 6.963 -7.091 -2.229 1.00 0.00 H new ATOM 0 HG LEU A 65 4.488 -5.835 -3.287 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.204 -7.541 -5.035 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.570 -6.453 -5.377 1.00 0.00 H new ATOM 0 HD13 LEU A 65 5.873 -8.094 -4.760 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.536 -8.021 -2.689 1.00 0.00 H new ATOM 0 HD22 LEU A 65 5.161 -8.606 -2.260 1.00 0.00 H new ATOM 0 HD23 LEU A 65 4.418 -7.281 -1.333 1.00 0.00 H new ATOM 990 N LEU A 66 7.535 -5.215 0.262 1.00 0.00 N ATOM 991 CA LEU A 66 8.596 -5.184 1.253 1.00 0.00 C ATOM 992 C LEU A 66 9.701 -6.159 0.842 1.00 0.00 C ATOM 993 O LEU A 66 9.589 -6.835 -0.180 1.00 0.00 O ATOM 994 CB LEU A 66 8.032 -5.449 2.651 1.00 0.00 C ATOM 995 CG LEU A 66 7.119 -4.362 3.223 1.00 0.00 C ATOM 996 CD1 LEU A 66 7.302 -4.233 4.736 1.00 0.00 C ATOM 997 CD2 LEU A 66 7.337 -3.029 2.503 1.00 0.00 C ATOM 0 H LEU A 66 6.616 -5.464 0.629 1.00 0.00 H new ATOM 0 HA LEU A 66 9.045 -4.192 1.298 1.00 0.00 H new ATOM 0 HB2 LEU A 66 7.476 -6.386 2.625 1.00 0.00 H new ATOM 0 HB3 LEU A 66 8.867 -5.592 3.337 1.00 0.00 H new ATOM 0 HG LEU A 66 6.084 -4.657 3.048 1.00 0.00 H new ATOM 0 HD11 LEU A 66 6.642 -3.454 5.117 1.00 0.00 H new ATOM 0 HD12 LEU A 66 7.058 -5.182 5.214 1.00 0.00 H new ATOM 0 HD13 LEU A 66 8.337 -3.971 4.956 1.00 0.00 H new ATOM 0 HD21 LEU A 66 6.676 -2.273 2.928 1.00 0.00 H new ATOM 0 HD22 LEU A 66 8.374 -2.715 2.625 1.00 0.00 H new ATOM 0 HD23 LEU A 66 7.117 -3.148 1.442 1.00 0.00 H new ATOM 1009 N SER A 67 10.744 -6.201 1.658 1.00 0.00 N ATOM 1010 CA SER A 67 11.868 -7.082 1.391 1.00 0.00 C ATOM 1011 C SER A 67 12.708 -7.257 2.658 1.00 0.00 C ATOM 1012 O SER A 67 13.579 -6.438 2.948 1.00 0.00 O ATOM 1013 CB SER A 67 12.734 -6.541 0.252 1.00 0.00 C ATOM 1014 OG SER A 67 12.244 -6.939 -1.026 1.00 0.00 O ATOM 0 H SER A 67 10.834 -5.639 2.504 1.00 0.00 H new ATOM 0 HA SER A 67 11.476 -8.052 1.085 1.00 0.00 H new ATOM 0 HB2 SER A 67 12.765 -5.453 0.306 1.00 0.00 H new ATOM 0 HB3 SER A 67 13.757 -6.896 0.375 1.00 0.00 H new ATOM 0 HG SER A 67 11.266 -7.001 -0.997 1.00 0.00 H new ATOM 1020 N GLY A 68 12.417 -8.330 3.379 1.00 0.00 N ATOM 1021 CA GLY A 68 13.134 -8.622 4.609 1.00 0.00 C ATOM 1022 C GLY A 68 14.245 -9.646 4.365 1.00 0.00 C ATOM 1023 O GLY A 68 14.861 -9.657 3.300 1.00 0.00 O ATOM 0 H GLY A 68 11.695 -9.008 3.135 1.00 0.00 H new ATOM 0 HA2 GLY A 68 13.562 -7.704 5.011 1.00 0.00 H new ATOM 0 HA3 GLY A 68 12.440 -9.004 5.357 1.00 0.00 H new ATOM 1027 N PRO A 69 14.473 -10.504 5.395 1.00 0.00 N ATOM 1028 CA PRO A 69 15.498 -11.529 5.303 1.00 0.00 C ATOM 1029 C PRO A 69 15.045 -12.678 4.401 1.00 0.00 C ATOM 1030 O PRO A 69 15.811 -13.154 3.564 1.00 0.00 O ATOM 1031 CB PRO A 69 15.750 -11.963 6.738 1.00 0.00 C ATOM 1032 CG PRO A 69 14.537 -11.505 7.531 1.00 0.00 C ATOM 1033 CD PRO A 69 13.762 -10.520 6.671 1.00 0.00 C ATOM 0 HA PRO A 69 16.417 -11.165 4.844 1.00 0.00 H new ATOM 0 HB2 PRO A 69 15.874 -13.044 6.803 1.00 0.00 H new ATOM 0 HB3 PRO A 69 16.664 -11.514 7.127 1.00 0.00 H new ATOM 0 HG2 PRO A 69 13.910 -12.357 7.795 1.00 0.00 H new ATOM 0 HG3 PRO A 69 14.847 -11.035 8.465 1.00 0.00 H new ATOM 0 HD2 PRO A 69 12.726 -10.835 6.543 1.00 0.00 H new ATOM 0 HD3 PRO A 69 13.740 -9.529 7.125 1.00 0.00 H new ATOM 1041 N SER A 70 13.802 -13.091 4.602 1.00 0.00 N ATOM 1042 CA SER A 70 13.238 -14.176 3.817 1.00 0.00 C ATOM 1043 C SER A 70 11.712 -14.072 3.802 1.00 0.00 C ATOM 1044 O SER A 70 11.103 -13.979 2.738 1.00 0.00 O ATOM 1045 CB SER A 70 13.672 -15.537 4.366 1.00 0.00 C ATOM 1046 OG SER A 70 13.955 -16.467 3.325 1.00 0.00 O ATOM 0 H SER A 70 13.170 -12.694 5.297 1.00 0.00 H new ATOM 0 HA SER A 70 13.612 -14.090 2.797 1.00 0.00 H new ATOM 0 HB2 SER A 70 14.557 -15.411 4.990 1.00 0.00 H new ATOM 0 HB3 SER A 70 12.886 -15.937 5.006 1.00 0.00 H new ATOM 0 HG SER A 70 14.230 -17.322 3.716 1.00 0.00 H new ATOM 1052 N SER A 71 11.137 -14.092 4.996 1.00 0.00 N ATOM 1053 CA SER A 71 9.694 -14.002 5.133 1.00 0.00 C ATOM 1054 C SER A 71 9.331 -12.893 6.123 1.00 0.00 C ATOM 1055 O SER A 71 9.893 -12.823 7.215 1.00 0.00 O ATOM 1056 CB SER A 71 9.099 -15.336 5.589 1.00 0.00 C ATOM 1057 OG SER A 71 7.675 -15.296 5.638 1.00 0.00 O ATOM 0 H SER A 71 11.645 -14.169 5.877 1.00 0.00 H new ATOM 0 HA SER A 71 9.272 -13.762 4.157 1.00 0.00 H new ATOM 0 HB2 SER A 71 9.416 -16.126 4.909 1.00 0.00 H new ATOM 0 HB3 SER A 71 9.489 -15.589 6.575 1.00 0.00 H new ATOM 0 HG SER A 71 7.333 -16.166 5.932 1.00 0.00 H new ATOM 1063 N GLY A 72 8.394 -12.054 5.706 1.00 0.00 N ATOM 1064 CA GLY A 72 7.950 -10.952 6.542 1.00 0.00 C ATOM 1065 C GLY A 72 7.516 -9.757 5.691 1.00 0.00 C ATOM 1066 O GLY A 72 6.893 -8.824 6.195 1.00 0.00 O ATOM 0 H GLY A 72 7.930 -12.115 4.800 1.00 0.00 H new ATOM 0 HA2 GLY A 72 7.119 -11.278 7.168 1.00 0.00 H new ATOM 0 HA3 GLY A 72 8.756 -10.652 7.212 1.00 0.00 H new TER 1070 GLY A 72