USER MOD reduce.3.24.130724 H: found=0, std=0, add=811, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 809 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 8 THR OG1 : rot -64:sc= -2.44 USER MOD Set 1.2: A 86 ASN : amide:sc= -5.64! K(o=-8.1!,f=-5) USER MOD Set 2.1: A 18 SER OG : rot 180:sc= -0.709 USER MOD Set 2.2: A 25 THR OG1 : rot 143:sc= 0.225 USER MOD Set 2.3: A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -116:sc= 0.0971 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 30:sc= 0.0736 USER MOD Single : A 5 SER OG : rot 46:sc= -0.0736 USER MOD Single : A 6 SER OG : rot 109:sc= 0.348 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= -0.175 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0136 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl 144:sc= -2.02 (180deg=-4.89!) USER MOD Single : A 33 HIS : no HD1:sc= -1.46 K(o=-1.5,f=-0.73) USER MOD Single : A 42 TYR OH : rot 165:sc= -0.94 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 CYS SG : rot -53:sc= -0.0571 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.0045 USER MOD Single : A 58 ASN : amide:sc= -1.58 K(o=-1.6,f=-11!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 19:sc= 0.394 USER MOD Single : A 74 THR OG1 : rot -41:sc= 0.263 USER MOD Single : A 77 LYS NZ :NH3+ 150:sc= -0.272 (180deg=-1.3!) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 76:sc= -0.155 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 TYR OH : rot -115:sc= 0.0829 USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 19:sc= 1.27 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -22.425 -18.847 -9.556 1.00 0.00 N ATOM 2 CA GLY A 1 -21.567 -17.899 -8.870 1.00 0.00 C ATOM 3 C GLY A 1 -22.353 -16.814 -8.161 1.00 0.00 C ATOM 4 O GLY A 1 -23.583 -16.788 -8.222 1.00 0.00 O ATOM 0 H1 GLY A 1 -22.315 -19.788 -9.127 1.00 0.00 H new ATOM 0 H2 GLY A 1 -23.416 -18.542 -9.473 1.00 0.00 H new ATOM 0 H3 GLY A 1 -22.160 -18.892 -10.561 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -20.951 -18.430 -8.144 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -20.889 -17.441 -9.590 1.00 0.00 H new ATOM 8 N SER A 2 -21.643 -15.915 -7.486 1.00 0.00 N ATOM 9 CA SER A 2 -22.283 -14.826 -6.758 1.00 0.00 C ATOM 10 C SER A 2 -22.106 -13.502 -7.497 1.00 0.00 C ATOM 11 O SER A 2 -21.111 -13.293 -8.190 1.00 0.00 O ATOM 12 CB SER A 2 -21.702 -14.717 -5.347 1.00 0.00 C ATOM 13 OG SER A 2 -20.320 -14.405 -5.387 1.00 0.00 O ATOM 0 H SER A 2 -20.625 -15.920 -7.428 1.00 0.00 H new ATOM 0 HA SER A 2 -23.349 -15.044 -6.688 1.00 0.00 H new ATOM 0 HB2 SER A 2 -22.236 -13.948 -4.789 1.00 0.00 H new ATOM 0 HB3 SER A 2 -21.851 -15.657 -4.816 1.00 0.00 H new ATOM 0 HG SER A 2 -19.973 -14.339 -4.473 1.00 0.00 H new ATOM 19 N SER A 3 -23.080 -12.611 -7.342 1.00 0.00 N ATOM 20 CA SER A 3 -23.036 -11.309 -7.996 1.00 0.00 C ATOM 21 C SER A 3 -23.343 -10.192 -7.004 1.00 0.00 C ATOM 22 O SER A 3 -24.339 -10.242 -6.284 1.00 0.00 O ATOM 23 CB SER A 3 -24.032 -11.264 -9.157 1.00 0.00 C ATOM 24 OG SER A 3 -25.328 -11.645 -8.732 1.00 0.00 O ATOM 0 H SER A 3 -23.909 -12.767 -6.769 1.00 0.00 H new ATOM 0 HA SER A 3 -22.029 -11.159 -8.385 1.00 0.00 H new ATOM 0 HB2 SER A 3 -24.064 -10.257 -9.574 1.00 0.00 H new ATOM 0 HB3 SER A 3 -23.697 -11.928 -9.953 1.00 0.00 H new ATOM 0 HG SER A 3 -25.450 -11.396 -7.792 1.00 0.00 H new ATOM 30 N GLY A 4 -22.479 -9.182 -6.973 1.00 0.00 N ATOM 31 CA GLY A 4 -22.674 -8.066 -6.066 1.00 0.00 C ATOM 32 C GLY A 4 -21.424 -7.225 -5.904 1.00 0.00 C ATOM 33 O GLY A 4 -20.327 -7.656 -6.259 1.00 0.00 O ATOM 0 H GLY A 4 -21.647 -9.117 -7.560 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -23.485 -7.439 -6.436 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -22.983 -8.444 -5.091 1.00 0.00 H new ATOM 37 N SER A 5 -21.588 -6.020 -5.366 1.00 0.00 N ATOM 38 CA SER A 5 -20.464 -5.114 -5.163 1.00 0.00 C ATOM 39 C SER A 5 -20.176 -4.930 -3.676 1.00 0.00 C ATOM 40 O SER A 5 -20.830 -5.535 -2.827 1.00 0.00 O ATOM 41 CB SER A 5 -20.752 -3.758 -5.810 1.00 0.00 C ATOM 42 OG SER A 5 -19.629 -2.898 -5.712 1.00 0.00 O ATOM 0 H SER A 5 -22.489 -5.649 -5.063 1.00 0.00 H new ATOM 0 HA SER A 5 -19.585 -5.554 -5.634 1.00 0.00 H new ATOM 0 HB2 SER A 5 -21.015 -3.900 -6.858 1.00 0.00 H new ATOM 0 HB3 SER A 5 -21.612 -3.295 -5.325 1.00 0.00 H new ATOM 0 HG SER A 5 -18.818 -3.389 -5.961 1.00 0.00 H new ATOM 48 N SER A 6 -19.193 -4.090 -3.369 1.00 0.00 N ATOM 49 CA SER A 6 -18.815 -3.829 -1.986 1.00 0.00 C ATOM 50 C SER A 6 -19.774 -2.835 -1.339 1.00 0.00 C ATOM 51 O SER A 6 -20.540 -2.158 -2.024 1.00 0.00 O ATOM 52 CB SER A 6 -17.384 -3.291 -1.919 1.00 0.00 C ATOM 53 OG SER A 6 -17.311 -1.971 -2.428 1.00 0.00 O ATOM 0 H SER A 6 -18.644 -3.579 -4.060 1.00 0.00 H new ATOM 0 HA SER A 6 -18.869 -4.769 -1.437 1.00 0.00 H new ATOM 0 HB2 SER A 6 -17.035 -3.306 -0.887 1.00 0.00 H new ATOM 0 HB3 SER A 6 -16.721 -3.941 -2.489 1.00 0.00 H new ATOM 0 HG SER A 6 -17.150 -1.345 -1.692 1.00 0.00 H new ATOM 59 N GLY A 7 -19.727 -2.753 -0.012 1.00 0.00 N ATOM 60 CA GLY A 7 -20.596 -1.840 0.706 1.00 0.00 C ATOM 61 C GLY A 7 -19.858 -0.620 1.221 1.00 0.00 C ATOM 62 O GLY A 7 -20.463 0.285 1.797 1.00 0.00 O ATOM 0 H GLY A 7 -19.102 -3.303 0.578 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -21.405 -1.521 0.049 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -21.055 -2.364 1.545 1.00 0.00 H new ATOM 66 N THR A 8 -18.545 -0.594 1.014 1.00 0.00 N ATOM 67 CA THR A 8 -17.723 0.522 1.464 1.00 0.00 C ATOM 68 C THR A 8 -16.865 1.066 0.327 1.00 0.00 C ATOM 69 O THR A 8 -16.788 0.468 -0.746 1.00 0.00 O ATOM 70 CB THR A 8 -16.807 0.111 2.632 1.00 0.00 C ATOM 71 OG1 THR A 8 -16.419 -1.261 2.491 1.00 0.00 O ATOM 72 CG2 THR A 8 -17.509 0.310 3.966 1.00 0.00 C ATOM 0 H THR A 8 -18.028 -1.333 0.538 1.00 0.00 H new ATOM 0 HA THR A 8 -18.406 1.300 1.805 1.00 0.00 H new ATOM 0 HB THR A 8 -15.920 0.743 2.609 1.00 0.00 H new ATOM 0 HG1 THR A 8 -17.212 -1.833 2.555 1.00 0.00 H new ATOM 0 HG21 THR A 8 -16.843 0.013 4.776 1.00 0.00 H new ATOM 0 HG22 THR A 8 -17.777 1.360 4.083 1.00 0.00 H new ATOM 0 HG23 THR A 8 -18.412 -0.300 3.997 1.00 0.00 H new ATOM 80 N SER A 9 -16.220 2.202 0.569 1.00 0.00 N ATOM 81 CA SER A 9 -15.369 2.828 -0.436 1.00 0.00 C ATOM 82 C SER A 9 -13.914 2.405 -0.256 1.00 0.00 C ATOM 83 O SER A 9 -13.443 2.168 0.857 1.00 0.00 O ATOM 84 CB SER A 9 -15.483 4.352 -0.355 1.00 0.00 C ATOM 85 OG SER A 9 -16.836 4.766 -0.426 1.00 0.00 O ATOM 0 H SER A 9 -16.270 2.708 1.453 1.00 0.00 H new ATOM 0 HA SER A 9 -15.706 2.498 -1.418 1.00 0.00 H new ATOM 0 HB2 SER A 9 -15.040 4.704 0.577 1.00 0.00 H new ATOM 0 HB3 SER A 9 -14.917 4.806 -1.169 1.00 0.00 H new ATOM 0 HG SER A 9 -16.882 5.743 -0.370 1.00 0.00 H new ATOM 91 N PRO A 10 -13.184 2.309 -1.376 1.00 0.00 N ATOM 92 CA PRO A 10 -11.771 1.916 -1.370 1.00 0.00 C ATOM 93 C PRO A 10 -10.874 2.987 -0.760 1.00 0.00 C ATOM 94 O PRO A 10 -11.297 4.116 -0.508 1.00 0.00 O ATOM 95 CB PRO A 10 -11.448 1.729 -2.854 1.00 0.00 C ATOM 96 CG PRO A 10 -12.426 2.598 -3.567 1.00 0.00 C ATOM 97 CD PRO A 10 -13.680 2.578 -2.737 1.00 0.00 C ATOM 0 HA PRO A 10 -11.599 1.024 -0.767 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -10.422 2.023 -3.076 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -11.553 0.686 -3.154 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -12.043 3.613 -3.671 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -12.618 2.225 -4.573 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -14.212 3.528 -2.790 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -14.372 1.805 -3.073 1.00 0.00 H new ATOM 105 N PRO A 11 -9.605 2.629 -0.516 1.00 0.00 N ATOM 106 CA PRO A 11 -8.621 3.546 0.066 1.00 0.00 C ATOM 107 C PRO A 11 -8.225 4.660 -0.897 1.00 0.00 C ATOM 108 O PRO A 11 -7.878 4.403 -2.051 1.00 0.00 O ATOM 109 CB PRO A 11 -7.422 2.641 0.359 1.00 0.00 C ATOM 110 CG PRO A 11 -7.555 1.512 -0.604 1.00 0.00 C ATOM 111 CD PRO A 11 -9.032 1.300 -0.792 1.00 0.00 C ATOM 0 HA PRO A 11 -9.012 4.057 0.946 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -6.481 3.173 0.218 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -7.436 2.286 1.390 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -7.071 1.748 -1.552 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -7.077 0.611 -0.218 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -9.264 0.964 -1.803 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -9.420 0.545 -0.108 1.00 0.00 H new ATOM 119 N THR A 12 -8.278 5.898 -0.417 1.00 0.00 N ATOM 120 CA THR A 12 -7.926 7.051 -1.236 1.00 0.00 C ATOM 121 C THR A 12 -6.767 7.828 -0.622 1.00 0.00 C ATOM 122 O THR A 12 -6.256 7.466 0.439 1.00 0.00 O ATOM 123 CB THR A 12 -9.126 8.000 -1.418 1.00 0.00 C ATOM 124 OG1 THR A 12 -9.462 8.609 -0.166 1.00 0.00 O ATOM 125 CG2 THR A 12 -10.332 7.248 -1.961 1.00 0.00 C ATOM 0 H THR A 12 -8.561 6.128 0.535 1.00 0.00 H new ATOM 0 HA THR A 12 -7.627 6.666 -2.211 1.00 0.00 H new ATOM 0 HB THR A 12 -8.846 8.772 -2.134 1.00 0.00 H new ATOM 0 HG1 THR A 12 -10.224 9.212 -0.290 1.00 0.00 H new ATOM 0 HG21 THR A 12 -11.167 7.938 -2.081 1.00 0.00 H new ATOM 0 HG22 THR A 12 -10.082 6.809 -2.927 1.00 0.00 H new ATOM 0 HG23 THR A 12 -10.612 6.458 -1.264 1.00 0.00 H new ATOM 133 N LEU A 13 -6.356 8.898 -1.294 1.00 0.00 N ATOM 134 CA LEU A 13 -5.257 9.728 -0.814 1.00 0.00 C ATOM 135 C LEU A 13 -4.018 8.882 -0.534 1.00 0.00 C ATOM 136 O LEU A 13 -3.373 9.032 0.505 1.00 0.00 O ATOM 137 CB LEU A 13 -5.673 10.478 0.453 1.00 0.00 C ATOM 138 CG LEU A 13 -6.405 11.803 0.238 1.00 0.00 C ATOM 139 CD1 LEU A 13 -7.003 12.301 1.545 1.00 0.00 C ATOM 140 CD2 LEU A 13 -5.462 12.843 -0.349 1.00 0.00 C ATOM 0 H LEU A 13 -6.768 9.211 -2.173 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.013 10.451 -1.593 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -6.313 9.824 1.045 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.780 10.672 1.047 1.00 0.00 H new ATOM 0 HG LEU A 13 -7.217 11.637 -0.469 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -7.520 13.245 1.372 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -7.710 11.564 1.926 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -6.208 12.451 2.275 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -5.999 13.780 -0.496 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.629 13.006 0.335 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -5.081 12.489 -1.307 1.00 0.00 H new ATOM 152 N LEU A 14 -3.690 7.996 -1.467 1.00 0.00 N ATOM 153 CA LEU A 14 -2.527 7.128 -1.322 1.00 0.00 C ATOM 154 C LEU A 14 -1.265 7.820 -1.826 1.00 0.00 C ATOM 155 O LEU A 14 -1.116 8.072 -3.022 1.00 0.00 O ATOM 156 CB LEU A 14 -2.744 5.820 -2.085 1.00 0.00 C ATOM 157 CG LEU A 14 -1.645 4.766 -1.938 1.00 0.00 C ATOM 158 CD1 LEU A 14 -0.507 5.044 -2.908 1.00 0.00 C ATOM 159 CD2 LEU A 14 -1.132 4.728 -0.507 1.00 0.00 C ATOM 0 H LEU A 14 -4.213 7.860 -2.332 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.400 6.907 -0.262 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.686 5.382 -1.755 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.855 6.055 -3.144 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.068 3.790 -2.177 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.266 4.284 -2.790 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.886 5.020 -3.930 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.084 6.027 -2.701 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.351 3.973 -0.420 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.725 5.703 -0.240 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.952 4.481 0.167 1.00 0.00 H new ATOM 171 N THR A 15 -0.355 8.123 -0.906 1.00 0.00 N ATOM 172 CA THR A 15 0.896 8.785 -1.256 1.00 0.00 C ATOM 173 C THR A 15 2.075 8.159 -0.520 1.00 0.00 C ATOM 174 O THR A 15 1.903 7.522 0.520 1.00 0.00 O ATOM 175 CB THR A 15 0.845 10.290 -0.933 1.00 0.00 C ATOM 176 OG1 THR A 15 0.747 10.485 0.482 1.00 0.00 O ATOM 177 CG2 THR A 15 -0.339 10.952 -1.623 1.00 0.00 C ATOM 0 H THR A 15 -0.461 7.920 0.088 1.00 0.00 H new ATOM 0 HA THR A 15 1.032 8.655 -2.330 1.00 0.00 H new ATOM 0 HB THR A 15 1.763 10.748 -1.300 1.00 0.00 H new ATOM 0 HG1 THR A 15 0.717 11.445 0.679 1.00 0.00 H new ATOM 0 HG21 THR A 15 -0.354 12.014 -1.380 1.00 0.00 H new ATOM 0 HG22 THR A 15 -0.247 10.828 -2.702 1.00 0.00 H new ATOM 0 HG23 THR A 15 -1.265 10.489 -1.282 1.00 0.00 H new ATOM 185 N VAL A 16 3.273 8.344 -1.065 1.00 0.00 N ATOM 186 CA VAL A 16 4.481 7.798 -0.458 1.00 0.00 C ATOM 187 C VAL A 16 5.029 8.734 0.613 1.00 0.00 C ATOM 188 O VAL A 16 5.709 9.714 0.307 1.00 0.00 O ATOM 189 CB VAL A 16 5.575 7.547 -1.513 1.00 0.00 C ATOM 190 CG1 VAL A 16 6.685 6.682 -0.936 1.00 0.00 C ATOM 191 CG2 VAL A 16 4.978 6.903 -2.755 1.00 0.00 C ATOM 0 H VAL A 16 3.433 8.868 -1.926 1.00 0.00 H new ATOM 0 HA VAL A 16 4.204 6.849 0.000 1.00 0.00 H new ATOM 0 HB VAL A 16 6.006 8.506 -1.800 1.00 0.00 H new ATOM 0 HG11 VAL A 16 7.449 6.515 -1.696 1.00 0.00 H new ATOM 0 HG12 VAL A 16 7.130 7.186 -0.078 1.00 0.00 H new ATOM 0 HG13 VAL A 16 6.273 5.724 -0.620 1.00 0.00 H new ATOM 0 HG21 VAL A 16 5.764 6.733 -3.490 1.00 0.00 H new ATOM 0 HG22 VAL A 16 4.520 5.951 -2.487 1.00 0.00 H new ATOM 0 HG23 VAL A 16 4.222 7.563 -3.179 1.00 0.00 H new ATOM 201 N ASP A 17 4.730 8.426 1.870 1.00 0.00 N ATOM 202 CA ASP A 17 5.194 9.239 2.988 1.00 0.00 C ATOM 203 C ASP A 17 6.714 9.362 2.976 1.00 0.00 C ATOM 204 O ASP A 17 7.257 10.462 2.871 1.00 0.00 O ATOM 205 CB ASP A 17 4.729 8.633 4.314 1.00 0.00 C ATOM 206 CG ASP A 17 4.768 9.634 5.452 1.00 0.00 C ATOM 207 OD1 ASP A 17 4.161 10.716 5.311 1.00 0.00 O ATOM 208 OD2 ASP A 17 5.406 9.335 6.484 1.00 0.00 O ATOM 0 H ASP A 17 4.168 7.619 2.140 1.00 0.00 H new ATOM 0 HA ASP A 17 4.766 10.236 2.883 1.00 0.00 H new ATOM 0 HB2 ASP A 17 3.713 8.255 4.201 1.00 0.00 H new ATOM 0 HB3 ASP A 17 5.361 7.780 4.562 1.00 0.00 H new ATOM 213 N SER A 18 7.396 8.226 3.086 1.00 0.00 N ATOM 214 CA SER A 18 8.854 8.208 3.093 1.00 0.00 C ATOM 215 C SER A 18 9.384 6.947 2.417 1.00 0.00 C ATOM 216 O SER A 18 8.703 5.922 2.366 1.00 0.00 O ATOM 217 CB SER A 18 9.379 8.291 4.527 1.00 0.00 C ATOM 218 OG SER A 18 8.729 7.350 5.364 1.00 0.00 O ATOM 0 H SER A 18 6.962 7.307 3.171 1.00 0.00 H new ATOM 0 HA SER A 18 9.207 9.075 2.534 1.00 0.00 H new ATOM 0 HB2 SER A 18 10.454 8.108 4.535 1.00 0.00 H new ATOM 0 HB3 SER A 18 9.224 9.297 4.917 1.00 0.00 H new ATOM 0 HG SER A 18 9.084 7.422 6.275 1.00 0.00 H new ATOM 224 N VAL A 19 10.606 7.029 1.900 1.00 0.00 N ATOM 225 CA VAL A 19 11.229 5.896 1.228 1.00 0.00 C ATOM 226 C VAL A 19 12.723 5.834 1.526 1.00 0.00 C ATOM 227 O VAL A 19 13.442 6.822 1.365 1.00 0.00 O ATOM 228 CB VAL A 19 11.024 5.965 -0.297 1.00 0.00 C ATOM 229 CG1 VAL A 19 11.980 5.020 -1.009 1.00 0.00 C ATOM 230 CG2 VAL A 19 9.580 5.644 -0.655 1.00 0.00 C ATOM 0 H VAL A 19 11.184 7.869 1.934 1.00 0.00 H new ATOM 0 HA VAL A 19 10.747 4.997 1.612 1.00 0.00 H new ATOM 0 HB VAL A 19 11.241 6.980 -0.629 1.00 0.00 H new ATOM 0 HG11 VAL A 19 11.820 5.083 -2.085 1.00 0.00 H new ATOM 0 HG12 VAL A 19 13.008 5.300 -0.778 1.00 0.00 H new ATOM 0 HG13 VAL A 19 11.798 3.999 -0.674 1.00 0.00 H new ATOM 0 HG21 VAL A 19 9.453 5.697 -1.736 1.00 0.00 H new ATOM 0 HG22 VAL A 19 9.334 4.640 -0.310 1.00 0.00 H new ATOM 0 HG23 VAL A 19 8.917 6.365 -0.176 1.00 0.00 H new ATOM 240 N THR A 20 13.187 4.667 1.961 1.00 0.00 N ATOM 241 CA THR A 20 14.596 4.475 2.282 1.00 0.00 C ATOM 242 C THR A 20 15.212 3.379 1.421 1.00 0.00 C ATOM 243 O THR A 20 14.524 2.453 0.991 1.00 0.00 O ATOM 244 CB THR A 20 14.789 4.116 3.767 1.00 0.00 C ATOM 245 OG1 THR A 20 13.755 4.715 4.555 1.00 0.00 O ATOM 246 CG2 THR A 20 16.148 4.583 4.265 1.00 0.00 C ATOM 0 H THR A 20 12.607 3.840 2.099 1.00 0.00 H new ATOM 0 HA THR A 20 15.099 5.420 2.076 1.00 0.00 H new ATOM 0 HB THR A 20 14.737 3.032 3.865 1.00 0.00 H new ATOM 0 HG1 THR A 20 13.884 4.480 5.498 1.00 0.00 H new ATOM 0 HG21 THR A 20 16.261 4.318 5.316 1.00 0.00 H new ATOM 0 HG22 THR A 20 16.934 4.102 3.683 1.00 0.00 H new ATOM 0 HG23 THR A 20 16.225 5.665 4.153 1.00 0.00 H new ATOM 254 N ASP A 21 16.513 3.489 1.173 1.00 0.00 N ATOM 255 CA ASP A 21 17.223 2.505 0.364 1.00 0.00 C ATOM 256 C ASP A 21 17.007 1.097 0.908 1.00 0.00 C ATOM 257 O ASP A 21 17.248 0.107 0.215 1.00 0.00 O ATOM 258 CB ASP A 21 18.717 2.828 0.326 1.00 0.00 C ATOM 259 CG ASP A 21 19.440 2.370 1.577 1.00 0.00 C ATOM 260 OD1 ASP A 21 19.552 1.143 1.783 1.00 0.00 O ATOM 261 OD2 ASP A 21 19.895 3.238 2.351 1.00 0.00 O ATOM 0 H ASP A 21 17.097 4.250 1.521 1.00 0.00 H new ATOM 0 HA ASP A 21 16.824 2.548 -0.650 1.00 0.00 H new ATOM 0 HB2 ASP A 21 19.167 2.352 -0.545 1.00 0.00 H new ATOM 0 HB3 ASP A 21 18.850 3.903 0.206 1.00 0.00 H new ATOM 266 N THR A 22 16.552 1.012 2.155 1.00 0.00 N ATOM 267 CA THR A 22 16.307 -0.274 2.793 1.00 0.00 C ATOM 268 C THR A 22 14.832 -0.652 2.719 1.00 0.00 C ATOM 269 O THR A 22 14.468 -1.667 2.123 1.00 0.00 O ATOM 270 CB THR A 22 16.748 -0.263 4.269 1.00 0.00 C ATOM 271 OG1 THR A 22 16.403 0.988 4.874 1.00 0.00 O ATOM 272 CG2 THR A 22 18.248 -0.493 4.386 1.00 0.00 C ATOM 0 H THR A 22 16.346 1.820 2.742 1.00 0.00 H new ATOM 0 HA THR A 22 16.897 -1.013 2.251 1.00 0.00 H new ATOM 0 HB THR A 22 16.231 -1.071 4.787 1.00 0.00 H new ATOM 0 HG1 THR A 22 16.685 0.986 5.813 1.00 0.00 H new ATOM 0 HG21 THR A 22 18.537 -0.481 5.437 1.00 0.00 H new ATOM 0 HG22 THR A 22 18.503 -1.459 3.950 1.00 0.00 H new ATOM 0 HG23 THR A 22 18.780 0.296 3.855 1.00 0.00 H new ATOM 280 N THR A 23 13.983 0.171 3.328 1.00 0.00 N ATOM 281 CA THR A 23 12.547 -0.077 3.331 1.00 0.00 C ATOM 282 C THR A 23 11.779 1.131 2.808 1.00 0.00 C ATOM 283 O THR A 23 12.342 2.214 2.645 1.00 0.00 O ATOM 284 CB THR A 23 12.040 -0.421 4.744 1.00 0.00 C ATOM 285 OG1 THR A 23 12.044 0.752 5.565 1.00 0.00 O ATOM 286 CG2 THR A 23 12.905 -1.496 5.384 1.00 0.00 C ATOM 0 H THR A 23 14.266 1.015 3.826 1.00 0.00 H new ATOM 0 HA THR A 23 12.372 -0.928 2.673 1.00 0.00 H new ATOM 0 HB THR A 23 11.022 -0.801 4.657 1.00 0.00 H new ATOM 0 HG1 THR A 23 11.719 0.525 6.461 1.00 0.00 H new ATOM 0 HG21 THR A 23 12.527 -1.722 6.381 1.00 0.00 H new ATOM 0 HG22 THR A 23 12.876 -2.398 4.772 1.00 0.00 H new ATOM 0 HG23 THR A 23 13.933 -1.140 5.458 1.00 0.00 H new ATOM 294 N VAL A 24 10.490 0.939 2.546 1.00 0.00 N ATOM 295 CA VAL A 24 9.644 2.015 2.043 1.00 0.00 C ATOM 296 C VAL A 24 8.464 2.267 2.974 1.00 0.00 C ATOM 297 O VAL A 24 8.045 1.380 3.719 1.00 0.00 O ATOM 298 CB VAL A 24 9.113 1.697 0.632 1.00 0.00 C ATOM 299 CG1 VAL A 24 10.262 1.382 -0.313 1.00 0.00 C ATOM 300 CG2 VAL A 24 8.122 0.544 0.684 1.00 0.00 C ATOM 0 H VAL A 24 10.009 0.049 2.674 1.00 0.00 H new ATOM 0 HA VAL A 24 10.263 2.911 1.997 1.00 0.00 H new ATOM 0 HB VAL A 24 8.593 2.576 0.251 1.00 0.00 H new ATOM 0 HG11 VAL A 24 9.867 1.160 -1.304 1.00 0.00 H new ATOM 0 HG12 VAL A 24 10.930 2.241 -0.372 1.00 0.00 H new ATOM 0 HG13 VAL A 24 10.813 0.519 0.060 1.00 0.00 H new ATOM 0 HG21 VAL A 24 7.757 0.333 -0.321 1.00 0.00 H new ATOM 0 HG22 VAL A 24 8.615 -0.342 1.085 1.00 0.00 H new ATOM 0 HG23 VAL A 24 7.283 0.814 1.326 1.00 0.00 H new ATOM 310 N THR A 25 7.929 3.483 2.926 1.00 0.00 N ATOM 311 CA THR A 25 6.796 3.853 3.766 1.00 0.00 C ATOM 312 C THR A 25 5.652 4.415 2.929 1.00 0.00 C ATOM 313 O THR A 25 5.869 5.224 2.028 1.00 0.00 O ATOM 314 CB THR A 25 7.200 4.894 4.827 1.00 0.00 C ATOM 315 OG1 THR A 25 8.387 4.467 5.506 1.00 0.00 O ATOM 316 CG2 THR A 25 6.080 5.102 5.835 1.00 0.00 C ATOM 0 H THR A 25 8.262 4.228 2.314 1.00 0.00 H new ATOM 0 HA THR A 25 6.464 2.944 4.267 1.00 0.00 H new ATOM 0 HB THR A 25 7.392 5.840 4.321 1.00 0.00 H new ATOM 0 HG1 THR A 25 8.952 5.245 5.698 1.00 0.00 H new ATOM 0 HG21 THR A 25 6.388 5.841 6.574 1.00 0.00 H new ATOM 0 HG22 THR A 25 5.187 5.455 5.319 1.00 0.00 H new ATOM 0 HG23 THR A 25 5.861 4.159 6.335 1.00 0.00 H new ATOM 324 N MET A 26 4.434 3.981 3.235 1.00 0.00 N ATOM 325 CA MET A 26 3.255 4.443 2.511 1.00 0.00 C ATOM 326 C MET A 26 2.220 5.022 3.471 1.00 0.00 C ATOM 327 O MET A 26 2.214 4.700 4.660 1.00 0.00 O ATOM 328 CB MET A 26 2.638 3.294 1.711 1.00 0.00 C ATOM 329 CG MET A 26 3.602 2.655 0.725 1.00 0.00 C ATOM 330 SD MET A 26 4.178 3.812 -0.533 1.00 0.00 S ATOM 331 CE MET A 26 2.743 3.893 -1.601 1.00 0.00 C ATOM 0 H MET A 26 4.237 3.311 3.978 1.00 0.00 H new ATOM 0 HA MET A 26 3.567 5.229 1.823 1.00 0.00 H new ATOM 0 HB2 MET A 26 2.280 2.532 2.403 1.00 0.00 H new ATOM 0 HB3 MET A 26 1.769 3.665 1.168 1.00 0.00 H new ATOM 0 HG2 MET A 26 4.460 2.257 1.267 1.00 0.00 H new ATOM 0 HG3 MET A 26 3.113 1.811 0.240 1.00 0.00 H new ATOM 0 HE1 MET A 26 2.634 4.906 -1.988 1.00 0.00 H new ATOM 0 HE2 MET A 26 2.868 3.199 -2.432 1.00 0.00 H new ATOM 0 HE3 MET A 26 1.852 3.623 -1.034 1.00 0.00 H new ATOM 341 N ARG A 27 1.348 5.877 2.948 1.00 0.00 N ATOM 342 CA ARG A 27 0.310 6.502 3.759 1.00 0.00 C ATOM 343 C ARG A 27 -1.005 6.587 2.990 1.00 0.00 C ATOM 344 O ARG A 27 -1.017 6.871 1.792 1.00 0.00 O ATOM 345 CB ARG A 27 0.748 7.901 4.197 1.00 0.00 C ATOM 346 CG ARG A 27 0.667 8.939 3.090 1.00 0.00 C ATOM 347 CD ARG A 27 0.934 10.340 3.618 1.00 0.00 C ATOM 348 NE ARG A 27 -0.271 10.958 4.164 1.00 0.00 N ATOM 349 CZ ARG A 27 -0.335 12.226 4.553 1.00 0.00 C ATOM 350 NH1 ARG A 27 0.732 13.007 4.456 1.00 0.00 N ATOM 351 NH2 ARG A 27 -1.468 12.716 5.040 1.00 0.00 N ATOM 0 H ARG A 27 1.339 6.153 1.966 1.00 0.00 H new ATOM 0 HA ARG A 27 0.154 5.884 4.643 1.00 0.00 H new ATOM 0 HB2 ARG A 27 0.125 8.223 5.032 1.00 0.00 H new ATOM 0 HB3 ARG A 27 1.773 7.853 4.564 1.00 0.00 H new ATOM 0 HG2 ARG A 27 1.391 8.699 2.311 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -0.320 8.905 2.629 1.00 0.00 H new ATOM 0 HD2 ARG A 27 1.701 10.296 4.391 1.00 0.00 H new ATOM 0 HD3 ARG A 27 1.328 10.962 2.814 1.00 0.00 H new ATOM 0 HE ARG A 27 -1.110 10.384 4.251 1.00 0.00 H new ATOM 0 HH11 ARG A 27 1.605 12.634 4.082 1.00 0.00 H new ATOM 0 HH12 ARG A 27 0.680 13.981 4.755 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -2.291 12.118 5.116 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -1.516 13.690 5.338 1.00 0.00 H new ATOM 365 N TRP A 28 -2.108 6.338 3.685 1.00 0.00 N ATOM 366 CA TRP A 28 -3.428 6.385 3.067 1.00 0.00 C ATOM 367 C TRP A 28 -4.487 6.820 4.075 1.00 0.00 C ATOM 368 O TRP A 28 -4.243 6.824 5.281 1.00 0.00 O ATOM 369 CB TRP A 28 -3.791 5.018 2.485 1.00 0.00 C ATOM 370 CG TRP A 28 -4.058 3.979 3.532 1.00 0.00 C ATOM 371 CD1 TRP A 28 -5.191 3.844 4.282 1.00 0.00 C ATOM 372 CD2 TRP A 28 -3.173 2.932 3.945 1.00 0.00 C ATOM 373 NE1 TRP A 28 -5.064 2.775 5.137 1.00 0.00 N ATOM 374 CE2 TRP A 28 -3.836 2.199 4.949 1.00 0.00 C ATOM 375 CE3 TRP A 28 -1.887 2.541 3.564 1.00 0.00 C ATOM 376 CZ2 TRP A 28 -3.253 1.100 5.575 1.00 0.00 C ATOM 377 CZ3 TRP A 28 -1.310 1.451 4.186 1.00 0.00 C ATOM 378 CH2 TRP A 28 -1.993 0.740 5.182 1.00 0.00 C ATOM 0 H TRP A 28 -2.115 6.101 4.677 1.00 0.00 H new ATOM 0 HA TRP A 28 -3.398 7.118 2.261 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -4.673 5.123 1.854 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -2.979 4.677 1.843 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -6.059 4.483 4.214 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -5.770 2.462 5.803 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -1.353 3.082 2.796 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -3.777 0.551 6.344 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -0.316 1.141 3.900 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -1.515 -0.109 5.649 1.00 0.00 H new ATOM 389 N ARG A 29 -5.662 7.184 3.572 1.00 0.00 N ATOM 390 CA ARG A 29 -6.757 7.622 4.430 1.00 0.00 C ATOM 391 C ARG A 29 -7.970 6.709 4.270 1.00 0.00 C ATOM 392 O ARG A 29 -8.139 6.033 3.256 1.00 0.00 O ATOM 393 CB ARG A 29 -7.144 9.065 4.103 1.00 0.00 C ATOM 394 CG ARG A 29 -6.235 10.100 4.746 1.00 0.00 C ATOM 395 CD ARG A 29 -6.944 11.435 4.916 1.00 0.00 C ATOM 396 NE ARG A 29 -6.002 12.547 5.002 1.00 0.00 N ATOM 397 CZ ARG A 29 -6.324 13.806 4.728 1.00 0.00 C ATOM 398 NH1 ARG A 29 -7.559 14.111 4.352 1.00 0.00 N ATOM 399 NH2 ARG A 29 -5.411 14.764 4.830 1.00 0.00 N ATOM 0 H ARG A 29 -5.880 7.184 2.576 1.00 0.00 H new ATOM 0 HA ARG A 29 -6.418 7.570 5.465 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -7.127 9.201 3.022 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -8.169 9.240 4.430 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -5.900 9.738 5.718 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -5.344 10.235 4.132 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -7.620 11.596 4.076 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -7.557 11.408 5.817 1.00 0.00 H new ATOM 0 HE ARG A 29 -5.044 12.346 5.288 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -8.264 13.378 4.273 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -7.804 15.079 4.142 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -4.460 14.534 5.119 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -5.660 15.730 4.619 1.00 0.00 H new ATOM 413 N PRO A 30 -8.834 6.689 5.296 1.00 0.00 N ATOM 414 CA PRO A 30 -10.046 5.864 5.293 1.00 0.00 C ATOM 415 C PRO A 30 -11.087 6.367 4.299 1.00 0.00 C ATOM 416 O PRO A 30 -10.974 7.460 3.745 1.00 0.00 O ATOM 417 CB PRO A 30 -10.568 5.997 6.726 1.00 0.00 C ATOM 418 CG PRO A 30 -10.030 7.301 7.206 1.00 0.00 C ATOM 419 CD PRO A 30 -8.695 7.470 6.537 1.00 0.00 C ATOM 0 HA PRO A 30 -9.839 4.837 4.993 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -11.658 5.984 6.753 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -10.224 5.173 7.351 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -10.702 8.119 6.948 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -9.926 7.304 8.291 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -8.479 8.518 6.330 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -7.883 7.094 7.160 1.00 0.00 H new ATOM 427 N PRO A 31 -12.126 5.551 4.066 1.00 0.00 N ATOM 428 CA PRO A 31 -13.208 5.893 3.137 1.00 0.00 C ATOM 429 C PRO A 31 -14.087 7.023 3.662 1.00 0.00 C ATOM 430 O PRO A 31 -14.327 7.127 4.865 1.00 0.00 O ATOM 431 CB PRO A 31 -14.011 4.594 3.035 1.00 0.00 C ATOM 432 CG PRO A 31 -13.736 3.877 4.312 1.00 0.00 C ATOM 433 CD PRO A 31 -12.325 4.233 4.691 1.00 0.00 C ATOM 0 HA PRO A 31 -12.827 6.251 2.181 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -15.076 4.795 2.915 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -13.700 4.003 2.174 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -14.437 4.181 5.089 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -13.846 2.800 4.186 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -12.199 4.278 5.773 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -11.611 3.499 4.317 1.00 0.00 H new ATOM 441 N ASP A 32 -14.563 7.866 2.753 1.00 0.00 N ATOM 442 CA ASP A 32 -15.417 8.988 3.125 1.00 0.00 C ATOM 443 C ASP A 32 -16.320 8.619 4.297 1.00 0.00 C ATOM 444 O ASP A 32 -16.553 9.429 5.195 1.00 0.00 O ATOM 445 CB ASP A 32 -16.266 9.428 1.930 1.00 0.00 C ATOM 446 CG ASP A 32 -16.803 10.837 2.090 1.00 0.00 C ATOM 447 OD1 ASP A 32 -16.154 11.644 2.788 1.00 0.00 O ATOM 448 OD2 ASP A 32 -17.872 11.132 1.516 1.00 0.00 O ATOM 0 H ASP A 32 -14.372 7.794 1.754 1.00 0.00 H new ATOM 0 HA ASP A 32 -14.776 9.815 3.430 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -15.666 9.372 1.021 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -17.099 8.736 1.806 1.00 0.00 H new ATOM 453 N HIS A 33 -16.828 7.390 4.283 1.00 0.00 N ATOM 454 CA HIS A 33 -17.706 6.913 5.345 1.00 0.00 C ATOM 455 C HIS A 33 -17.756 5.389 5.366 1.00 0.00 C ATOM 456 O HIS A 33 -17.244 4.729 4.460 1.00 0.00 O ATOM 457 CB HIS A 33 -19.115 7.479 5.163 1.00 0.00 C ATOM 458 CG HIS A 33 -19.952 7.411 6.403 1.00 0.00 C ATOM 459 ND1 HIS A 33 -19.862 8.335 7.423 1.00 0.00 N ATOM 460 CD2 HIS A 33 -20.901 6.524 6.783 1.00 0.00 C ATOM 461 CE1 HIS A 33 -20.718 8.017 8.378 1.00 0.00 C ATOM 462 NE2 HIS A 33 -21.362 6.923 8.014 1.00 0.00 N ATOM 0 H HIS A 33 -16.646 6.707 3.548 1.00 0.00 H new ATOM 0 HA HIS A 33 -17.304 7.258 6.297 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -19.042 8.518 4.840 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -19.617 6.932 4.365 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -21.234 5.663 6.223 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -20.866 8.560 9.300 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -22.084 6.451 8.558 1.00 0.00 H new ATOM 471 N ILE A 34 -18.373 4.835 6.404 1.00 0.00 N ATOM 472 CA ILE A 34 -18.489 3.389 6.542 1.00 0.00 C ATOM 473 C ILE A 34 -19.951 2.957 6.588 1.00 0.00 C ATOM 474 O ILE A 34 -20.705 3.376 7.464 1.00 0.00 O ATOM 475 CB ILE A 34 -17.776 2.885 7.810 1.00 0.00 C ATOM 476 CG1 ILE A 34 -16.279 3.196 7.738 1.00 0.00 C ATOM 477 CG2 ILE A 34 -18.004 1.391 7.988 1.00 0.00 C ATOM 478 CD1 ILE A 34 -15.602 2.623 6.513 1.00 0.00 C ATOM 0 H ILE A 34 -18.801 5.366 7.162 1.00 0.00 H new ATOM 0 HA ILE A 34 -18.010 2.949 5.667 1.00 0.00 H new ATOM 0 HB ILE A 34 -18.194 3.402 8.674 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -16.140 4.277 7.748 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -15.791 2.803 8.630 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -17.494 1.050 8.889 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -19.072 1.194 8.080 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -17.610 0.857 7.123 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -14.543 2.882 6.528 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -15.710 1.538 6.511 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -16.064 3.035 5.616 1.00 0.00 H new ATOM 490 N GLY A 35 -20.343 2.113 5.638 1.00 0.00 N ATOM 491 CA GLY A 35 -21.713 1.636 5.590 1.00 0.00 C ATOM 492 C GLY A 35 -22.007 0.607 6.663 1.00 0.00 C ATOM 493 O GLY A 35 -21.177 0.358 7.537 1.00 0.00 O ATOM 0 H GLY A 35 -19.737 1.751 4.902 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -22.393 2.480 5.705 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -21.909 1.201 4.610 1.00 0.00 H new ATOM 497 N ALA A 36 -23.192 0.009 6.599 1.00 0.00 N ATOM 498 CA ALA A 36 -23.593 -0.999 7.573 1.00 0.00 C ATOM 499 C ALA A 36 -22.632 -2.183 7.565 1.00 0.00 C ATOM 500 O ALA A 36 -22.123 -2.588 8.610 1.00 0.00 O ATOM 501 CB ALA A 36 -25.013 -1.468 7.293 1.00 0.00 C ATOM 0 H ALA A 36 -23.891 0.205 5.883 1.00 0.00 H new ATOM 0 HA ALA A 36 -23.561 -0.545 8.563 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -25.299 -2.220 8.028 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -25.695 -0.620 7.357 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -25.063 -1.900 6.293 1.00 0.00 H new ATOM 507 N ALA A 37 -22.389 -2.734 6.380 1.00 0.00 N ATOM 508 CA ALA A 37 -21.488 -3.871 6.237 1.00 0.00 C ATOM 509 C ALA A 37 -20.321 -3.773 7.215 1.00 0.00 C ATOM 510 O ALA A 37 -19.925 -4.766 7.824 1.00 0.00 O ATOM 511 CB ALA A 37 -20.975 -3.961 4.808 1.00 0.00 C ATOM 0 H ALA A 37 -22.803 -2.411 5.506 1.00 0.00 H new ATOM 0 HA ALA A 37 -22.047 -4.778 6.469 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -20.303 -4.814 4.716 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -21.816 -4.086 4.127 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -20.437 -3.047 4.556 1.00 0.00 H new ATOM 517 N GLY A 38 -19.775 -2.569 7.359 1.00 0.00 N ATOM 518 CA GLY A 38 -18.658 -2.365 8.263 1.00 0.00 C ATOM 519 C GLY A 38 -17.322 -2.379 7.547 1.00 0.00 C ATOM 520 O GLY A 38 -17.264 -2.554 6.329 1.00 0.00 O ATOM 0 H GLY A 38 -20.086 -1.732 6.866 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -18.781 -1.412 8.778 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -18.666 -3.143 9.026 1.00 0.00 H new ATOM 524 N LEU A 39 -16.246 -2.194 8.303 1.00 0.00 N ATOM 525 CA LEU A 39 -14.903 -2.184 7.733 1.00 0.00 C ATOM 526 C LEU A 39 -13.952 -3.039 8.565 1.00 0.00 C ATOM 527 O LEU A 39 -13.937 -2.952 9.793 1.00 0.00 O ATOM 528 CB LEU A 39 -14.375 -0.751 7.646 1.00 0.00 C ATOM 529 CG LEU A 39 -12.868 -0.603 7.432 1.00 0.00 C ATOM 530 CD1 LEU A 39 -12.540 -0.581 5.947 1.00 0.00 C ATOM 531 CD2 LEU A 39 -12.354 0.657 8.113 1.00 0.00 C ATOM 0 H LEU A 39 -16.277 -2.049 9.312 1.00 0.00 H new ATOM 0 HA LEU A 39 -14.958 -2.606 6.729 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -14.889 -0.245 6.829 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -14.644 -0.229 8.564 1.00 0.00 H new ATOM 0 HG LEU A 39 -12.370 -1.463 7.880 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -11.463 -0.475 5.814 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -12.873 -1.511 5.487 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -13.048 0.259 5.474 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -11.280 0.746 7.950 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -12.858 1.528 7.694 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -12.555 0.600 9.183 1.00 0.00 H new ATOM 543 N ASP A 40 -13.160 -3.862 7.888 1.00 0.00 N ATOM 544 CA ASP A 40 -12.203 -4.731 8.565 1.00 0.00 C ATOM 545 C ASP A 40 -10.790 -4.497 8.038 1.00 0.00 C ATOM 546 O ASP A 40 -10.409 -5.031 6.997 1.00 0.00 O ATOM 547 CB ASP A 40 -12.594 -6.198 8.379 1.00 0.00 C ATOM 548 CG ASP A 40 -13.978 -6.500 8.918 1.00 0.00 C ATOM 549 OD1 ASP A 40 -14.110 -6.687 10.146 1.00 0.00 O ATOM 550 OD2 ASP A 40 -14.930 -6.550 8.112 1.00 0.00 O ATOM 0 H ASP A 40 -13.161 -3.946 6.871 1.00 0.00 H new ATOM 0 HA ASP A 40 -12.219 -4.491 9.628 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -12.557 -6.449 7.319 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -11.865 -6.832 8.883 1.00 0.00 H new ATOM 555 N GLY A 41 -10.018 -3.694 8.764 1.00 0.00 N ATOM 556 CA GLY A 41 -8.657 -3.403 8.353 1.00 0.00 C ATOM 557 C GLY A 41 -8.541 -3.162 6.861 1.00 0.00 C ATOM 558 O GLY A 41 -9.462 -2.634 6.237 1.00 0.00 O ATOM 0 H GLY A 41 -10.311 -3.240 9.629 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -8.299 -2.524 8.889 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -8.010 -4.234 8.635 1.00 0.00 H new ATOM 562 N TYR A 42 -7.406 -3.546 6.288 1.00 0.00 N ATOM 563 CA TYR A 42 -7.171 -3.365 4.861 1.00 0.00 C ATOM 564 C TYR A 42 -6.118 -4.346 4.353 1.00 0.00 C ATOM 565 O TYR A 42 -5.527 -5.097 5.129 1.00 0.00 O ATOM 566 CB TYR A 42 -6.727 -1.930 4.574 1.00 0.00 C ATOM 567 CG TYR A 42 -7.444 -0.895 5.412 1.00 0.00 C ATOM 568 CD1 TYR A 42 -7.027 -0.610 6.706 1.00 0.00 C ATOM 569 CD2 TYR A 42 -8.540 -0.204 4.910 1.00 0.00 C ATOM 570 CE1 TYR A 42 -7.679 0.333 7.476 1.00 0.00 C ATOM 571 CE2 TYR A 42 -9.198 0.742 5.672 1.00 0.00 C ATOM 572 CZ TYR A 42 -8.764 1.007 6.954 1.00 0.00 C ATOM 573 OH TYR A 42 -9.417 1.948 7.717 1.00 0.00 O ATOM 0 H TYR A 42 -6.634 -3.985 6.790 1.00 0.00 H new ATOM 0 HA TYR A 42 -8.107 -3.561 4.337 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -5.654 -1.848 4.750 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -6.894 -1.711 3.519 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -6.178 -1.135 7.117 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -8.883 -0.410 3.907 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -7.342 0.542 8.481 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -10.048 1.271 5.266 1.00 0.00 H new ATOM 0 HH TYR A 42 -9.992 2.494 7.141 1.00 0.00 H new ATOM 583 N VAL A 43 -5.888 -4.331 3.044 1.00 0.00 N ATOM 584 CA VAL A 43 -4.905 -5.217 2.431 1.00 0.00 C ATOM 585 C VAL A 43 -3.894 -4.429 1.606 1.00 0.00 C ATOM 586 O VAL A 43 -4.263 -3.556 0.819 1.00 0.00 O ATOM 587 CB VAL A 43 -5.581 -6.266 1.528 1.00 0.00 C ATOM 588 CG1 VAL A 43 -4.536 -7.077 0.776 1.00 0.00 C ATOM 589 CG2 VAL A 43 -6.482 -7.175 2.351 1.00 0.00 C ATOM 0 H VAL A 43 -6.369 -3.716 2.388 1.00 0.00 H new ATOM 0 HA VAL A 43 -4.388 -5.727 3.244 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.198 -5.746 0.796 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -5.032 -7.813 0.143 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -3.936 -6.411 0.156 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -3.890 -7.589 1.489 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -6.952 -7.910 1.698 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -5.888 -7.689 3.107 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -7.253 -6.578 2.839 1.00 0.00 H new ATOM 599 N LEU A 44 -2.616 -4.742 1.790 1.00 0.00 N ATOM 600 CA LEU A 44 -1.549 -4.064 1.062 1.00 0.00 C ATOM 601 C LEU A 44 -0.513 -5.063 0.559 1.00 0.00 C ATOM 602 O LEU A 44 -0.042 -5.915 1.311 1.00 0.00 O ATOM 603 CB LEU A 44 -0.877 -3.022 1.958 1.00 0.00 C ATOM 604 CG LEU A 44 0.104 -2.075 1.266 1.00 0.00 C ATOM 605 CD1 LEU A 44 0.181 -0.750 2.009 1.00 0.00 C ATOM 606 CD2 LEU A 44 1.482 -2.713 1.166 1.00 0.00 C ATOM 0 H LEU A 44 -2.293 -5.461 2.437 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.991 -3.563 0.201 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.655 -2.424 2.432 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.347 -3.544 2.754 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.259 -1.882 0.256 1.00 0.00 H new ATOM 0 HD11 LEU A 44 0.884 -0.089 1.502 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.805 -0.286 2.028 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.519 -0.925 3.030 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.167 -2.024 0.671 1.00 0.00 H new ATOM 0 HD22 LEU A 44 1.853 -2.937 2.166 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.415 -3.635 0.589 1.00 0.00 H new ATOM 618 N GLU A 45 -0.161 -4.950 -0.718 1.00 0.00 N ATOM 619 CA GLU A 45 0.822 -5.843 -1.321 1.00 0.00 C ATOM 620 C GLU A 45 1.673 -5.102 -2.348 1.00 0.00 C ATOM 621 O GLU A 45 1.383 -3.958 -2.701 1.00 0.00 O ATOM 622 CB GLU A 45 0.123 -7.032 -1.984 1.00 0.00 C ATOM 623 CG GLU A 45 -0.714 -7.859 -1.023 1.00 0.00 C ATOM 624 CD GLU A 45 -0.996 -9.254 -1.546 1.00 0.00 C ATOM 625 OE1 GLU A 45 -0.163 -9.778 -2.316 1.00 0.00 O ATOM 626 OE2 GLU A 45 -2.048 -9.823 -1.186 1.00 0.00 O ATOM 0 H GLU A 45 -0.541 -4.250 -1.354 1.00 0.00 H new ATOM 0 HA GLU A 45 1.476 -6.209 -0.530 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -0.517 -6.665 -2.787 1.00 0.00 H new ATOM 0 HB3 GLU A 45 0.874 -7.674 -2.444 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -0.197 -7.932 -0.066 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -1.658 -7.347 -0.837 1.00 0.00 H new ATOM 633 N TYR A 46 2.723 -5.762 -2.824 1.00 0.00 N ATOM 634 CA TYR A 46 3.618 -5.165 -3.809 1.00 0.00 C ATOM 635 C TYR A 46 4.024 -6.188 -4.865 1.00 0.00 C ATOM 636 O TYR A 46 4.271 -7.354 -4.554 1.00 0.00 O ATOM 637 CB TYR A 46 4.863 -4.603 -3.122 1.00 0.00 C ATOM 638 CG TYR A 46 5.709 -5.657 -2.444 1.00 0.00 C ATOM 639 CD1 TYR A 46 5.238 -6.346 -1.333 1.00 0.00 C ATOM 640 CD2 TYR A 46 6.979 -5.966 -2.916 1.00 0.00 C ATOM 641 CE1 TYR A 46 6.008 -7.309 -0.710 1.00 0.00 C ATOM 642 CE2 TYR A 46 7.756 -6.929 -2.300 1.00 0.00 C ATOM 643 CZ TYR A 46 7.266 -7.597 -1.198 1.00 0.00 C ATOM 644 OH TYR A 46 8.035 -8.557 -0.581 1.00 0.00 O ATOM 0 H TYR A 46 2.975 -6.710 -2.544 1.00 0.00 H new ATOM 0 HA TYR A 46 3.085 -4.352 -4.302 1.00 0.00 H new ATOM 0 HB2 TYR A 46 5.471 -4.081 -3.861 1.00 0.00 H new ATOM 0 HB3 TYR A 46 4.557 -3.864 -2.382 1.00 0.00 H new ATOM 0 HD1 TYR A 46 4.253 -6.125 -0.950 1.00 0.00 H new ATOM 0 HD2 TYR A 46 7.366 -5.445 -3.779 1.00 0.00 H new ATOM 0 HE1 TYR A 46 5.627 -7.833 0.154 1.00 0.00 H new ATOM 0 HE2 TYR A 46 8.741 -7.157 -2.680 1.00 0.00 H new ATOM 0 HH TYR A 46 8.892 -8.640 -1.048 1.00 0.00 H new ATOM 654 N CYS A 47 4.093 -5.742 -6.115 1.00 0.00 N ATOM 655 CA CYS A 47 4.469 -6.617 -7.219 1.00 0.00 C ATOM 656 C CYS A 47 5.844 -6.246 -7.763 1.00 0.00 C ATOM 657 O CYS A 47 5.965 -5.407 -8.656 1.00 0.00 O ATOM 658 CB CYS A 47 3.427 -6.540 -8.337 1.00 0.00 C ATOM 659 SG CYS A 47 3.990 -7.212 -9.918 1.00 0.00 S ATOM 0 H CYS A 47 3.893 -4.780 -6.389 1.00 0.00 H new ATOM 0 HA CYS A 47 4.511 -7.639 -6.842 1.00 0.00 H new ATOM 0 HB2 CYS A 47 2.533 -7.079 -8.023 1.00 0.00 H new ATOM 0 HB3 CYS A 47 3.139 -5.499 -8.479 1.00 0.00 H new ATOM 0 HG CYS A 47 5.118 -6.657 -10.248 1.00 0.00 H new ATOM 665 N PHE A 48 6.880 -6.875 -7.218 1.00 0.00 N ATOM 666 CA PHE A 48 8.249 -6.608 -7.646 1.00 0.00 C ATOM 667 C PHE A 48 8.365 -6.675 -9.166 1.00 0.00 C ATOM 668 O PHE A 48 7.544 -7.302 -9.834 1.00 0.00 O ATOM 669 CB PHE A 48 9.211 -7.611 -7.005 1.00 0.00 C ATOM 670 CG PHE A 48 10.597 -7.068 -6.806 1.00 0.00 C ATOM 671 CD1 PHE A 48 11.498 -7.030 -7.858 1.00 0.00 C ATOM 672 CD2 PHE A 48 10.999 -6.595 -5.567 1.00 0.00 C ATOM 673 CE1 PHE A 48 12.774 -6.532 -7.677 1.00 0.00 C ATOM 674 CE2 PHE A 48 12.274 -6.096 -5.380 1.00 0.00 C ATOM 675 CZ PHE A 48 13.162 -6.063 -6.437 1.00 0.00 C ATOM 0 H PHE A 48 6.798 -7.573 -6.479 1.00 0.00 H new ATOM 0 HA PHE A 48 8.516 -5.602 -7.322 1.00 0.00 H new ATOM 0 HB2 PHE A 48 8.809 -7.922 -6.041 1.00 0.00 H new ATOM 0 HB3 PHE A 48 9.265 -8.502 -7.631 1.00 0.00 H new ATOM 0 HD1 PHE A 48 11.200 -7.394 -8.830 1.00 0.00 H new ATOM 0 HD2 PHE A 48 10.308 -6.617 -4.738 1.00 0.00 H new ATOM 0 HE1 PHE A 48 13.468 -6.509 -8.505 1.00 0.00 H new ATOM 0 HE2 PHE A 48 12.575 -5.732 -4.409 1.00 0.00 H new ATOM 0 HZ PHE A 48 14.158 -5.671 -6.294 1.00 0.00 H new ATOM 685 N GLU A 49 9.392 -6.024 -9.704 1.00 0.00 N ATOM 686 CA GLU A 49 9.615 -6.008 -11.145 1.00 0.00 C ATOM 687 C GLU A 49 10.240 -7.319 -11.613 1.00 0.00 C ATOM 688 O GLU A 49 11.166 -7.835 -10.989 1.00 0.00 O ATOM 689 CB GLU A 49 10.517 -4.833 -11.531 1.00 0.00 C ATOM 690 CG GLU A 49 11.956 -4.994 -11.069 1.00 0.00 C ATOM 691 CD GLU A 49 12.807 -3.779 -11.382 1.00 0.00 C ATOM 692 OE1 GLU A 49 12.913 -3.418 -12.573 1.00 0.00 O ATOM 693 OE2 GLU A 49 13.369 -3.189 -10.435 1.00 0.00 O ATOM 0 H GLU A 49 10.082 -5.501 -9.164 1.00 0.00 H new ATOM 0 HA GLU A 49 8.649 -5.891 -11.635 1.00 0.00 H new ATOM 0 HB2 GLU A 49 10.503 -4.716 -12.615 1.00 0.00 H new ATOM 0 HB3 GLU A 49 10.108 -3.917 -11.106 1.00 0.00 H new ATOM 0 HG2 GLU A 49 11.971 -5.176 -9.994 1.00 0.00 H new ATOM 0 HG3 GLU A 49 12.392 -5.871 -11.547 1.00 0.00 H new ATOM 700 N GLY A 50 9.726 -7.852 -12.717 1.00 0.00 N ATOM 701 CA GLY A 50 10.245 -9.098 -13.250 1.00 0.00 C ATOM 702 C GLY A 50 9.414 -10.296 -12.836 1.00 0.00 C ATOM 703 O GLY A 50 9.115 -11.167 -13.654 1.00 0.00 O ATOM 0 H GLY A 50 8.960 -7.443 -13.252 1.00 0.00 H new ATOM 0 HA2 GLY A 50 10.276 -9.039 -14.338 1.00 0.00 H new ATOM 0 HA3 GLY A 50 11.271 -9.236 -12.909 1.00 0.00 H new ATOM 707 N THR A 51 9.039 -10.344 -11.562 1.00 0.00 N ATOM 708 CA THR A 51 8.240 -11.445 -11.040 1.00 0.00 C ATOM 709 C THR A 51 6.826 -11.416 -11.608 1.00 0.00 C ATOM 710 O THR A 51 6.266 -12.455 -11.955 1.00 0.00 O ATOM 711 CB THR A 51 8.164 -11.405 -9.502 1.00 0.00 C ATOM 712 OG1 THR A 51 7.833 -10.084 -9.062 1.00 0.00 O ATOM 713 CG2 THR A 51 9.486 -11.834 -8.884 1.00 0.00 C ATOM 0 H THR A 51 9.276 -9.632 -10.872 1.00 0.00 H new ATOM 0 HA THR A 51 8.734 -12.367 -11.348 1.00 0.00 H new ATOM 0 HB THR A 51 7.388 -12.100 -9.180 1.00 0.00 H new ATOM 0 HG1 THR A 51 7.785 -10.068 -8.083 1.00 0.00 H new ATOM 0 HG21 THR A 51 9.408 -11.798 -7.797 1.00 0.00 H new ATOM 0 HG22 THR A 51 9.721 -12.851 -9.197 1.00 0.00 H new ATOM 0 HG23 THR A 51 10.277 -11.161 -9.214 1.00 0.00 H new ATOM 721 N GLU A 52 6.255 -10.219 -11.701 1.00 0.00 N ATOM 722 CA GLU A 52 4.905 -10.056 -12.228 1.00 0.00 C ATOM 723 C GLU A 52 3.875 -10.667 -11.283 1.00 0.00 C ATOM 724 O GLU A 52 2.793 -11.074 -11.706 1.00 0.00 O ATOM 725 CB GLU A 52 4.792 -10.703 -13.610 1.00 0.00 C ATOM 726 CG GLU A 52 6.003 -10.463 -14.496 1.00 0.00 C ATOM 727 CD GLU A 52 6.132 -11.494 -15.600 1.00 0.00 C ATOM 728 OE1 GLU A 52 5.144 -11.707 -16.332 1.00 0.00 O ATOM 729 OE2 GLU A 52 7.223 -12.089 -15.730 1.00 0.00 O ATOM 0 H GLU A 52 6.706 -9.349 -11.419 1.00 0.00 H new ATOM 0 HA GLU A 52 4.703 -8.988 -12.317 1.00 0.00 H new ATOM 0 HB2 GLU A 52 4.648 -11.777 -13.488 1.00 0.00 H new ATOM 0 HB3 GLU A 52 3.904 -10.317 -14.111 1.00 0.00 H new ATOM 0 HG2 GLU A 52 5.933 -9.469 -14.938 1.00 0.00 H new ATOM 0 HG3 GLU A 52 6.905 -10.477 -13.884 1.00 0.00 H new ATOM 736 N ASP A 53 4.220 -10.728 -10.001 1.00 0.00 N ATOM 737 CA ASP A 53 3.326 -11.288 -8.995 1.00 0.00 C ATOM 738 C ASP A 53 3.241 -10.376 -7.775 1.00 0.00 C ATOM 739 O ASP A 53 4.235 -9.777 -7.365 1.00 0.00 O ATOM 740 CB ASP A 53 3.804 -12.679 -8.574 1.00 0.00 C ATOM 741 CG ASP A 53 3.102 -13.180 -7.327 1.00 0.00 C ATOM 742 OD1 ASP A 53 3.380 -12.645 -6.234 1.00 0.00 O ATOM 743 OD2 ASP A 53 2.274 -14.107 -7.446 1.00 0.00 O ATOM 0 H ASP A 53 5.112 -10.396 -9.635 1.00 0.00 H new ATOM 0 HA ASP A 53 2.332 -11.371 -9.435 1.00 0.00 H new ATOM 0 HB2 ASP A 53 3.633 -13.381 -9.390 1.00 0.00 H new ATOM 0 HB3 ASP A 53 4.879 -12.652 -8.396 1.00 0.00 H new ATOM 748 N TRP A 54 2.047 -10.274 -7.201 1.00 0.00 N ATOM 749 CA TRP A 54 1.832 -9.433 -6.029 1.00 0.00 C ATOM 750 C TRP A 54 2.119 -10.205 -4.746 1.00 0.00 C ATOM 751 O TRP A 54 1.377 -11.116 -4.380 1.00 0.00 O ATOM 752 CB TRP A 54 0.397 -8.904 -6.011 1.00 0.00 C ATOM 753 CG TRP A 54 0.092 -7.975 -7.146 1.00 0.00 C ATOM 754 CD1 TRP A 54 -0.336 -8.320 -8.396 1.00 0.00 C ATOM 755 CD2 TRP A 54 0.195 -6.547 -7.135 1.00 0.00 C ATOM 756 NE1 TRP A 54 -0.506 -7.193 -9.163 1.00 0.00 N ATOM 757 CE2 TRP A 54 -0.188 -6.092 -8.412 1.00 0.00 C ATOM 758 CE3 TRP A 54 0.570 -5.608 -6.171 1.00 0.00 C ATOM 759 CZ2 TRP A 54 -0.204 -4.740 -8.747 1.00 0.00 C ATOM 760 CZ3 TRP A 54 0.555 -4.267 -6.505 1.00 0.00 C ATOM 761 CH2 TRP A 54 0.169 -3.843 -7.783 1.00 0.00 C ATOM 0 H TRP A 54 1.214 -10.763 -7.528 1.00 0.00 H new ATOM 0 HA TRP A 54 2.521 -8.590 -6.086 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -0.294 -9.747 -6.045 1.00 0.00 H new ATOM 0 HB3 TRP A 54 0.221 -8.385 -5.069 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -0.515 -9.331 -8.732 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -0.818 -7.178 -10.134 1.00 0.00 H new ATOM 0 HE3 TRP A 54 0.866 -5.925 -5.182 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -0.500 -4.411 -9.732 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 0.846 -3.533 -5.768 1.00 0.00 H new ATOM 0 HH2 TRP A 54 0.166 -2.788 -8.012 1.00 0.00 H new ATOM 772 N ILE A 55 3.199 -9.834 -4.066 1.00 0.00 N ATOM 773 CA ILE A 55 3.582 -10.492 -2.823 1.00 0.00 C ATOM 774 C ILE A 55 2.828 -9.904 -1.635 1.00 0.00 C ATOM 775 O ILE A 55 2.645 -8.690 -1.541 1.00 0.00 O ATOM 776 CB ILE A 55 5.096 -10.372 -2.565 1.00 0.00 C ATOM 777 CG1 ILE A 55 5.883 -10.973 -3.731 1.00 0.00 C ATOM 778 CG2 ILE A 55 5.467 -11.057 -1.259 1.00 0.00 C ATOM 779 CD1 ILE A 55 7.230 -10.322 -3.951 1.00 0.00 C ATOM 0 H ILE A 55 3.824 -9.081 -4.355 1.00 0.00 H new ATOM 0 HA ILE A 55 3.322 -11.545 -2.931 1.00 0.00 H new ATOM 0 HB ILE A 55 5.353 -9.316 -2.484 1.00 0.00 H new ATOM 0 HG12 ILE A 55 6.029 -12.038 -3.550 1.00 0.00 H new ATOM 0 HG13 ILE A 55 5.292 -10.883 -4.642 1.00 0.00 H new ATOM 0 HG21 ILE A 55 6.540 -10.963 -1.091 1.00 0.00 H new ATOM 0 HG22 ILE A 55 4.929 -10.587 -0.436 1.00 0.00 H new ATOM 0 HG23 ILE A 55 5.199 -12.112 -1.313 1.00 0.00 H new ATOM 0 HD11 ILE A 55 7.731 -10.799 -4.793 1.00 0.00 H new ATOM 0 HD12 ILE A 55 7.091 -9.262 -4.164 1.00 0.00 H new ATOM 0 HD13 ILE A 55 7.840 -10.435 -3.054 1.00 0.00 H new ATOM 791 N VAL A 56 2.392 -10.773 -0.728 1.00 0.00 N ATOM 792 CA VAL A 56 1.660 -10.340 0.456 1.00 0.00 C ATOM 793 C VAL A 56 2.581 -9.631 1.442 1.00 0.00 C ATOM 794 O VAL A 56 3.472 -10.245 2.028 1.00 0.00 O ATOM 795 CB VAL A 56 0.986 -11.530 1.164 1.00 0.00 C ATOM 796 CG1 VAL A 56 0.367 -11.086 2.481 1.00 0.00 C ATOM 797 CG2 VAL A 56 -0.062 -12.163 0.261 1.00 0.00 C ATOM 0 H VAL A 56 2.533 -11.781 -0.791 1.00 0.00 H new ATOM 0 HA VAL A 56 0.891 -9.645 0.118 1.00 0.00 H new ATOM 0 HB VAL A 56 1.747 -12.280 1.381 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.105 -11.940 2.967 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.144 -10.682 3.130 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.382 -10.318 2.290 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.528 -13.002 0.777 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.822 -11.423 0.012 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.413 -12.518 -0.654 1.00 0.00 H new ATOM 807 N ALA A 57 2.358 -8.333 1.622 1.00 0.00 N ATOM 808 CA ALA A 57 3.166 -7.539 2.540 1.00 0.00 C ATOM 809 C ALA A 57 2.712 -7.737 3.982 1.00 0.00 C ATOM 810 O ALA A 57 3.459 -8.251 4.813 1.00 0.00 O ATOM 811 CB ALA A 57 3.102 -6.067 2.161 1.00 0.00 C ATOM 0 H ALA A 57 1.625 -7.809 1.144 1.00 0.00 H new ATOM 0 HA ALA A 57 4.199 -7.878 2.463 1.00 0.00 H new ATOM 0 HB1 ALA A 57 3.710 -5.486 2.855 1.00 0.00 H new ATOM 0 HB2 ALA A 57 3.482 -5.935 1.148 1.00 0.00 H new ATOM 0 HB3 ALA A 57 2.069 -5.724 2.209 1.00 0.00 H new ATOM 817 N ASN A 58 1.482 -7.324 4.272 1.00 0.00 N ATOM 818 CA ASN A 58 0.929 -7.455 5.615 1.00 0.00 C ATOM 819 C ASN A 58 0.334 -8.844 5.826 1.00 0.00 C ATOM 820 O ASN A 58 -0.799 -9.113 5.427 1.00 0.00 O ATOM 821 CB ASN A 58 -0.141 -6.388 5.855 1.00 0.00 C ATOM 822 CG ASN A 58 -1.223 -6.405 4.792 1.00 0.00 C ATOM 823 OD1 ASN A 58 -1.014 -5.942 3.671 1.00 0.00 O ATOM 824 ND2 ASN A 58 -2.386 -6.941 5.142 1.00 0.00 N ATOM 0 H ASN A 58 0.850 -6.896 3.595 1.00 0.00 H new ATOM 0 HA ASN A 58 1.740 -7.314 6.330 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -0.594 -6.546 6.834 1.00 0.00 H new ATOM 0 HB3 ASN A 58 0.329 -5.405 5.876 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -3.152 -6.981 4.470 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -2.514 -7.313 6.083 1.00 0.00 H new ATOM 831 N LYS A 59 1.106 -9.723 6.456 1.00 0.00 N ATOM 832 CA LYS A 59 0.657 -11.084 6.723 1.00 0.00 C ATOM 833 C LYS A 59 -0.774 -11.091 7.251 1.00 0.00 C ATOM 834 O LYS A 59 -1.548 -12.004 6.962 1.00 0.00 O ATOM 835 CB LYS A 59 1.587 -11.762 7.731 1.00 0.00 C ATOM 836 CG LYS A 59 1.287 -13.237 7.938 1.00 0.00 C ATOM 837 CD LYS A 59 1.983 -13.778 9.176 1.00 0.00 C ATOM 838 CE LYS A 59 3.431 -14.141 8.888 1.00 0.00 C ATOM 839 NZ LYS A 59 4.084 -14.787 10.060 1.00 0.00 N ATOM 0 H LYS A 59 2.047 -9.517 6.792 1.00 0.00 H new ATOM 0 HA LYS A 59 0.682 -11.639 5.785 1.00 0.00 H new ATOM 0 HB2 LYS A 59 2.617 -11.653 7.392 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.510 -11.246 8.688 1.00 0.00 H new ATOM 0 HG2 LYS A 59 0.211 -13.381 8.032 1.00 0.00 H new ATOM 0 HG3 LYS A 59 1.609 -13.801 7.063 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.945 -13.033 9.971 1.00 0.00 H new ATOM 0 HD3 LYS A 59 1.451 -14.658 9.538 1.00 0.00 H new ATOM 0 HE2 LYS A 59 3.473 -14.814 8.032 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.983 -13.242 8.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 5.070 -15.019 9.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 4.066 -14.135 10.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 3.572 -15.658 10.306 1.00 0.00 H new ATOM 853 N ASP A 60 -1.120 -10.067 8.024 1.00 0.00 N ATOM 854 CA ASP A 60 -2.459 -9.954 8.590 1.00 0.00 C ATOM 855 C ASP A 60 -3.060 -8.584 8.294 1.00 0.00 C ATOM 856 O ASP A 60 -2.346 -7.583 8.224 1.00 0.00 O ATOM 857 CB ASP A 60 -2.419 -10.192 10.100 1.00 0.00 C ATOM 858 CG ASP A 60 -1.813 -11.535 10.459 1.00 0.00 C ATOM 859 OD1 ASP A 60 -2.565 -12.530 10.510 1.00 0.00 O ATOM 860 OD2 ASP A 60 -0.586 -11.590 10.690 1.00 0.00 O ATOM 0 H ASP A 60 -0.491 -9.303 8.273 1.00 0.00 H new ATOM 0 HA ASP A 60 -3.088 -10.714 8.127 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -1.843 -9.398 10.575 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -3.431 -10.135 10.501 1.00 0.00 H new ATOM 865 N LEU A 61 -4.376 -8.546 8.121 1.00 0.00 N ATOM 866 CA LEU A 61 -5.075 -7.298 7.832 1.00 0.00 C ATOM 867 C LEU A 61 -4.419 -6.127 8.556 1.00 0.00 C ATOM 868 O LEU A 61 -3.964 -6.263 9.692 1.00 0.00 O ATOM 869 CB LEU A 61 -6.545 -7.407 8.240 1.00 0.00 C ATOM 870 CG LEU A 61 -7.441 -8.226 7.311 1.00 0.00 C ATOM 871 CD1 LEU A 61 -8.723 -8.628 8.023 1.00 0.00 C ATOM 872 CD2 LEU A 61 -7.755 -7.442 6.045 1.00 0.00 C ATOM 0 H LEU A 61 -4.981 -9.365 8.176 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.016 -7.117 6.759 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -6.593 -7.845 9.237 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -6.956 -6.400 8.314 1.00 0.00 H new ATOM 0 HG LEU A 61 -6.907 -9.133 7.029 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -9.348 -9.210 7.346 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -8.479 -9.229 8.899 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -9.262 -7.733 8.335 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -8.394 -8.040 5.395 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -8.269 -6.517 6.308 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.827 -7.206 5.524 1.00 0.00 H new ATOM 884 N ILE A 62 -4.376 -4.976 7.892 1.00 0.00 N ATOM 885 CA ILE A 62 -3.780 -3.781 8.474 1.00 0.00 C ATOM 886 C ILE A 62 -4.820 -2.958 9.227 1.00 0.00 C ATOM 887 O ILE A 62 -5.956 -2.812 8.776 1.00 0.00 O ATOM 888 CB ILE A 62 -3.124 -2.897 7.397 1.00 0.00 C ATOM 889 CG1 ILE A 62 -2.255 -3.747 6.468 1.00 0.00 C ATOM 890 CG2 ILE A 62 -2.298 -1.797 8.045 1.00 0.00 C ATOM 891 CD1 ILE A 62 -2.058 -3.136 5.098 1.00 0.00 C ATOM 0 H ILE A 62 -4.747 -4.847 6.951 1.00 0.00 H new ATOM 0 HA ILE A 62 -3.014 -4.119 9.171 1.00 0.00 H new ATOM 0 HB ILE A 62 -3.910 -2.431 6.803 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.281 -3.899 6.933 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -2.711 -4.731 6.356 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -1.841 -1.181 7.271 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -2.943 -1.177 8.668 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -1.518 -2.243 8.661 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -1.432 -3.793 4.493 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -3.026 -3.010 4.613 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -1.573 -2.165 5.199 1.00 0.00 H new ATOM 903 N ASP A 63 -4.423 -2.422 10.377 1.00 0.00 N ATOM 904 CA ASP A 63 -5.320 -1.612 11.192 1.00 0.00 C ATOM 905 C ASP A 63 -4.988 -0.129 11.054 1.00 0.00 C ATOM 906 O ASP A 63 -5.871 0.697 10.818 1.00 0.00 O ATOM 907 CB ASP A 63 -5.230 -2.032 12.659 1.00 0.00 C ATOM 908 CG ASP A 63 -5.790 -3.421 12.899 1.00 0.00 C ATOM 909 OD1 ASP A 63 -5.067 -4.405 12.638 1.00 0.00 O ATOM 910 OD2 ASP A 63 -6.952 -3.523 13.346 1.00 0.00 O ATOM 0 H ASP A 63 -3.486 -2.534 10.765 1.00 0.00 H new ATOM 0 HA ASP A 63 -6.338 -1.773 10.838 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -4.188 -2.003 12.979 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -5.772 -1.314 13.274 1.00 0.00 H new ATOM 915 N LYS A 64 -3.710 0.203 11.203 1.00 0.00 N ATOM 916 CA LYS A 64 -3.260 1.585 11.095 1.00 0.00 C ATOM 917 C LYS A 64 -3.370 2.083 9.657 1.00 0.00 C ATOM 918 O LYS A 64 -3.554 1.295 8.729 1.00 0.00 O ATOM 919 CB LYS A 64 -1.815 1.712 11.581 1.00 0.00 C ATOM 920 CG LYS A 64 -1.640 1.401 13.057 1.00 0.00 C ATOM 921 CD LYS A 64 -1.910 2.622 13.920 1.00 0.00 C ATOM 922 CE LYS A 64 -2.380 2.227 15.312 1.00 0.00 C ATOM 923 NZ LYS A 64 -3.051 3.357 16.012 1.00 0.00 N ATOM 0 H LYS A 64 -2.967 -0.468 11.399 1.00 0.00 H new ATOM 0 HA LYS A 64 -3.904 2.200 11.724 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -1.185 1.039 10.999 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -1.463 2.725 11.388 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -2.317 0.596 13.343 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -0.626 1.044 13.237 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -1.003 3.222 13.997 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -2.666 3.246 13.443 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -3.069 1.386 15.238 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -1.527 1.890 15.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -3.357 3.048 16.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -2.386 4.151 16.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -3.880 3.662 15.463 1.00 0.00 H new ATOM 937 N THR A 65 -3.255 3.395 9.479 1.00 0.00 N ATOM 938 CA THR A 65 -3.341 3.997 8.155 1.00 0.00 C ATOM 939 C THR A 65 -1.957 4.189 7.547 1.00 0.00 C ATOM 940 O THR A 65 -1.706 5.167 6.843 1.00 0.00 O ATOM 941 CB THR A 65 -4.061 5.358 8.202 1.00 0.00 C ATOM 942 OG1 THR A 65 -3.418 6.220 9.147 1.00 0.00 O ATOM 943 CG2 THR A 65 -5.524 5.183 8.582 1.00 0.00 C ATOM 0 H THR A 65 -3.102 4.061 10.236 1.00 0.00 H new ATOM 0 HA THR A 65 -3.916 3.311 7.533 1.00 0.00 H new ATOM 0 HB THR A 65 -4.010 5.805 7.209 1.00 0.00 H new ATOM 0 HG1 THR A 65 -3.881 7.084 9.170 1.00 0.00 H new ATOM 0 HG21 THR A 65 -6.012 6.157 8.609 1.00 0.00 H new ATOM 0 HG22 THR A 65 -6.018 4.550 7.845 1.00 0.00 H new ATOM 0 HG23 THR A 65 -5.591 4.716 9.565 1.00 0.00 H new ATOM 951 N LYS A 66 -1.059 3.248 7.823 1.00 0.00 N ATOM 952 CA LYS A 66 0.301 3.312 7.302 1.00 0.00 C ATOM 953 C LYS A 66 0.964 1.939 7.343 1.00 0.00 C ATOM 954 O LYS A 66 0.748 1.162 8.274 1.00 0.00 O ATOM 955 CB LYS A 66 1.131 4.315 8.106 1.00 0.00 C ATOM 956 CG LYS A 66 2.334 4.853 7.350 1.00 0.00 C ATOM 957 CD LYS A 66 3.391 5.393 8.298 1.00 0.00 C ATOM 958 CE LYS A 66 2.886 6.607 9.063 1.00 0.00 C ATOM 959 NZ LYS A 66 3.654 6.831 10.319 1.00 0.00 N ATOM 0 H LYS A 66 -1.249 2.432 8.405 1.00 0.00 H new ATOM 0 HA LYS A 66 0.251 3.641 6.264 1.00 0.00 H new ATOM 0 HB2 LYS A 66 0.494 5.149 8.399 1.00 0.00 H new ATOM 0 HB3 LYS A 66 1.473 3.838 9.024 1.00 0.00 H new ATOM 0 HG2 LYS A 66 2.764 4.061 6.737 1.00 0.00 H new ATOM 0 HG3 LYS A 66 2.015 5.644 6.671 1.00 0.00 H new ATOM 0 HD2 LYS A 66 3.682 4.613 9.002 1.00 0.00 H new ATOM 0 HD3 LYS A 66 4.284 5.663 7.734 1.00 0.00 H new ATOM 0 HE2 LYS A 66 2.959 7.491 8.430 1.00 0.00 H new ATOM 0 HE3 LYS A 66 1.831 6.473 9.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 3.279 7.667 10.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 3.563 5.998 10.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 4.657 6.985 10.090 1.00 0.00 H new ATOM 973 N PHE A 67 1.773 1.646 6.330 1.00 0.00 N ATOM 974 CA PHE A 67 2.468 0.367 6.251 1.00 0.00 C ATOM 975 C PHE A 67 3.869 0.544 5.674 1.00 0.00 C ATOM 976 O PHE A 67 4.144 1.513 4.966 1.00 0.00 O ATOM 977 CB PHE A 67 1.671 -0.618 5.393 1.00 0.00 C ATOM 978 CG PHE A 67 2.277 -1.992 5.339 1.00 0.00 C ATOM 979 CD1 PHE A 67 3.258 -2.295 4.409 1.00 0.00 C ATOM 980 CD2 PHE A 67 1.864 -2.980 6.219 1.00 0.00 C ATOM 981 CE1 PHE A 67 3.817 -3.558 4.357 1.00 0.00 C ATOM 982 CE2 PHE A 67 2.420 -4.244 6.172 1.00 0.00 C ATOM 983 CZ PHE A 67 3.397 -4.534 5.239 1.00 0.00 C ATOM 0 H PHE A 67 1.963 2.278 5.552 1.00 0.00 H new ATOM 0 HA PHE A 67 2.558 -0.032 7.261 1.00 0.00 H new ATOM 0 HB2 PHE A 67 0.657 -0.692 5.786 1.00 0.00 H new ATOM 0 HB3 PHE A 67 1.592 -0.224 4.380 1.00 0.00 H new ATOM 0 HD1 PHE A 67 3.590 -1.536 3.717 1.00 0.00 H new ATOM 0 HD2 PHE A 67 1.099 -2.759 6.949 1.00 0.00 H new ATOM 0 HE1 PHE A 67 4.581 -3.781 3.627 1.00 0.00 H new ATOM 0 HE2 PHE A 67 2.091 -5.005 6.864 1.00 0.00 H new ATOM 0 HZ PHE A 67 3.831 -5.522 5.200 1.00 0.00 H new ATOM 993 N THR A 68 4.753 -0.400 5.982 1.00 0.00 N ATOM 994 CA THR A 68 6.127 -0.349 5.497 1.00 0.00 C ATOM 995 C THR A 68 6.614 -1.731 5.078 1.00 0.00 C ATOM 996 O THR A 68 6.476 -2.700 5.825 1.00 0.00 O ATOM 997 CB THR A 68 7.080 0.217 6.567 1.00 0.00 C ATOM 998 OG1 THR A 68 6.680 1.544 6.927 1.00 0.00 O ATOM 999 CG2 THR A 68 8.514 0.233 6.060 1.00 0.00 C ATOM 0 H THR A 68 4.542 -1.210 6.565 1.00 0.00 H new ATOM 0 HA THR A 68 6.132 0.312 4.631 1.00 0.00 H new ATOM 0 HB THR A 68 7.029 -0.427 7.445 1.00 0.00 H new ATOM 0 HG1 THR A 68 7.290 1.896 7.609 1.00 0.00 H new ATOM 0 HG21 THR A 68 9.169 0.637 6.832 1.00 0.00 H new ATOM 0 HG22 THR A 68 8.825 -0.783 5.815 1.00 0.00 H new ATOM 0 HG23 THR A 68 8.578 0.857 5.168 1.00 0.00 H new ATOM 1007 N ILE A 69 7.184 -1.814 3.881 1.00 0.00 N ATOM 1008 CA ILE A 69 7.693 -3.079 3.364 1.00 0.00 C ATOM 1009 C ILE A 69 9.124 -3.325 3.827 1.00 0.00 C ATOM 1010 O ILE A 69 10.026 -2.535 3.545 1.00 0.00 O ATOM 1011 CB ILE A 69 7.650 -3.116 1.825 1.00 0.00 C ATOM 1012 CG1 ILE A 69 6.203 -3.042 1.331 1.00 0.00 C ATOM 1013 CG2 ILE A 69 8.329 -4.375 1.306 1.00 0.00 C ATOM 1014 CD1 ILE A 69 6.059 -2.377 -0.020 1.00 0.00 C ATOM 0 H ILE A 69 7.305 -1.021 3.251 1.00 0.00 H new ATOM 0 HA ILE A 69 7.046 -3.864 3.756 1.00 0.00 H new ATOM 0 HB ILE A 69 8.190 -2.251 1.440 1.00 0.00 H new ATOM 0 HG12 ILE A 69 5.794 -4.051 1.276 1.00 0.00 H new ATOM 0 HG13 ILE A 69 5.606 -2.496 2.061 1.00 0.00 H new ATOM 0 HG21 ILE A 69 8.290 -4.387 0.217 1.00 0.00 H new ATOM 0 HG22 ILE A 69 9.369 -4.388 1.632 1.00 0.00 H new ATOM 0 HG23 ILE A 69 7.815 -5.253 1.697 1.00 0.00 H new ATOM 0 HD11 ILE A 69 5.008 -2.360 -0.307 1.00 0.00 H new ATOM 0 HD12 ILE A 69 6.437 -1.356 0.035 1.00 0.00 H new ATOM 0 HD13 ILE A 69 6.629 -2.935 -0.763 1.00 0.00 H new ATOM 1026 N THR A 70 9.328 -4.429 4.541 1.00 0.00 N ATOM 1027 CA THR A 70 10.650 -4.781 5.043 1.00 0.00 C ATOM 1028 C THR A 70 11.333 -5.793 4.131 1.00 0.00 C ATOM 1029 O THR A 70 10.756 -6.825 3.790 1.00 0.00 O ATOM 1030 CB THR A 70 10.573 -5.361 6.468 1.00 0.00 C ATOM 1031 OG1 THR A 70 9.917 -6.634 6.444 1.00 0.00 O ATOM 1032 CG2 THR A 70 9.825 -4.417 7.397 1.00 0.00 C ATOM 0 H THR A 70 8.594 -5.094 4.784 1.00 0.00 H new ATOM 0 HA THR A 70 11.236 -3.862 5.064 1.00 0.00 H new ATOM 0 HB THR A 70 11.589 -5.483 6.842 1.00 0.00 H new ATOM 0 HG1 THR A 70 9.935 -6.994 5.533 1.00 0.00 H new ATOM 0 HG21 THR A 70 9.784 -4.848 8.397 1.00 0.00 H new ATOM 0 HG22 THR A 70 10.343 -3.459 7.436 1.00 0.00 H new ATOM 0 HG23 THR A 70 8.812 -4.267 7.024 1.00 0.00 H new ATOM 1040 N GLY A 71 12.567 -5.492 3.739 1.00 0.00 N ATOM 1041 CA GLY A 71 13.309 -6.386 2.870 1.00 0.00 C ATOM 1042 C GLY A 71 13.185 -6.008 1.407 1.00 0.00 C ATOM 1043 O GLY A 71 12.502 -6.686 0.638 1.00 0.00 O ATOM 0 H GLY A 71 13.066 -4.644 4.008 1.00 0.00 H new ATOM 0 HA2 GLY A 71 14.361 -6.376 3.157 1.00 0.00 H new ATOM 0 HA3 GLY A 71 12.950 -7.405 3.010 1.00 0.00 H new ATOM 1047 N LEU A 72 13.845 -4.922 1.020 1.00 0.00 N ATOM 1048 CA LEU A 72 13.804 -4.453 -0.361 1.00 0.00 C ATOM 1049 C LEU A 72 15.187 -4.008 -0.825 1.00 0.00 C ATOM 1050 O LEU A 72 15.912 -3.308 -0.118 1.00 0.00 O ATOM 1051 CB LEU A 72 12.811 -3.298 -0.499 1.00 0.00 C ATOM 1052 CG LEU A 72 11.331 -3.683 -0.507 1.00 0.00 C ATOM 1053 CD1 LEU A 72 10.457 -2.440 -0.437 1.00 0.00 C ATOM 1054 CD2 LEU A 72 11.000 -4.501 -1.747 1.00 0.00 C ATOM 0 H LEU A 72 14.415 -4.350 1.643 1.00 0.00 H new ATOM 0 HA LEU A 72 13.478 -5.281 -0.991 1.00 0.00 H new ATOM 0 HB2 LEU A 72 12.980 -2.600 0.321 1.00 0.00 H new ATOM 0 HB3 LEU A 72 13.032 -2.764 -1.423 1.00 0.00 H new ATOM 0 HG LEU A 72 11.129 -4.295 0.372 1.00 0.00 H new ATOM 0 HD11 LEU A 72 9.407 -2.733 -0.444 1.00 0.00 H new ATOM 0 HD12 LEU A 72 10.675 -1.893 0.480 1.00 0.00 H new ATOM 0 HD13 LEU A 72 10.661 -1.803 -1.297 1.00 0.00 H new ATOM 0 HD21 LEU A 72 9.943 -4.766 -1.736 1.00 0.00 H new ATOM 0 HD22 LEU A 72 11.218 -3.914 -2.639 1.00 0.00 H new ATOM 0 HD23 LEU A 72 11.602 -5.410 -1.755 1.00 0.00 H new ATOM 1066 N PRO A 73 15.563 -4.422 -2.045 1.00 0.00 N ATOM 1067 CA PRO A 73 16.861 -4.075 -2.633 1.00 0.00 C ATOM 1068 C PRO A 73 16.956 -2.597 -2.997 1.00 0.00 C ATOM 1069 O PRO A 73 15.946 -1.945 -3.261 1.00 0.00 O ATOM 1070 CB PRO A 73 16.921 -4.941 -3.894 1.00 0.00 C ATOM 1071 CG PRO A 73 15.497 -5.195 -4.248 1.00 0.00 C ATOM 1072 CD PRO A 73 14.751 -5.258 -2.944 1.00 0.00 C ATOM 0 HA PRO A 73 17.683 -4.250 -1.939 1.00 0.00 H new ATOM 0 HB2 PRO A 73 17.444 -4.429 -4.701 1.00 0.00 H new ATOM 0 HB3 PRO A 73 17.455 -5.873 -3.709 1.00 0.00 H new ATOM 0 HG2 PRO A 73 15.105 -4.401 -4.884 1.00 0.00 H new ATOM 0 HG3 PRO A 73 15.393 -6.128 -4.802 1.00 0.00 H new ATOM 0 HD2 PRO A 73 13.736 -4.873 -3.043 1.00 0.00 H new ATOM 0 HD3 PRO A 73 14.670 -6.281 -2.577 1.00 0.00 H new ATOM 1080 N THR A 74 18.178 -2.074 -3.010 1.00 0.00 N ATOM 1081 CA THR A 74 18.406 -0.673 -3.341 1.00 0.00 C ATOM 1082 C THR A 74 18.370 -0.451 -4.849 1.00 0.00 C ATOM 1083 O THR A 74 18.811 -1.303 -5.621 1.00 0.00 O ATOM 1084 CB THR A 74 19.757 -0.178 -2.792 1.00 0.00 C ATOM 1085 OG1 THR A 74 19.835 -0.427 -1.384 1.00 0.00 O ATOM 1086 CG2 THR A 74 19.939 1.308 -3.060 1.00 0.00 C ATOM 0 H THR A 74 19.025 -2.600 -2.795 1.00 0.00 H new ATOM 0 HA THR A 74 17.603 -0.104 -2.874 1.00 0.00 H new ATOM 0 HB THR A 74 20.552 -0.723 -3.301 1.00 0.00 H new ATOM 0 HG1 THR A 74 18.970 -0.228 -0.968 1.00 0.00 H new ATOM 0 HG21 THR A 74 20.900 1.634 -2.663 1.00 0.00 H new ATOM 0 HG22 THR A 74 19.909 1.490 -4.134 1.00 0.00 H new ATOM 0 HG23 THR A 74 19.138 1.866 -2.575 1.00 0.00 H new ATOM 1094 N ASP A 75 17.845 0.697 -5.261 1.00 0.00 N ATOM 1095 CA ASP A 75 17.755 1.032 -6.678 1.00 0.00 C ATOM 1096 C ASP A 75 16.777 0.105 -7.393 1.00 0.00 C ATOM 1097 O ASP A 75 17.003 -0.289 -8.537 1.00 0.00 O ATOM 1098 CB ASP A 75 19.133 0.943 -7.334 1.00 0.00 C ATOM 1099 CG ASP A 75 19.128 1.451 -8.762 1.00 0.00 C ATOM 1100 OD1 ASP A 75 18.784 2.633 -8.970 1.00 0.00 O ATOM 1101 OD2 ASP A 75 19.468 0.665 -9.672 1.00 0.00 O ATOM 0 H ASP A 75 17.475 1.412 -4.634 1.00 0.00 H new ATOM 0 HA ASP A 75 17.387 2.055 -6.762 1.00 0.00 H new ATOM 0 HB2 ASP A 75 19.849 1.520 -6.749 1.00 0.00 H new ATOM 0 HB3 ASP A 75 19.472 -0.093 -7.321 1.00 0.00 H new ATOM 1106 N ALA A 76 15.690 -0.241 -6.711 1.00 0.00 N ATOM 1107 CA ALA A 76 14.677 -1.120 -7.282 1.00 0.00 C ATOM 1108 C ALA A 76 13.325 -0.420 -7.364 1.00 0.00 C ATOM 1109 O ALA A 76 13.012 0.447 -6.548 1.00 0.00 O ATOM 1110 CB ALA A 76 14.564 -2.396 -6.461 1.00 0.00 C ATOM 0 H ALA A 76 15.488 0.074 -5.762 1.00 0.00 H new ATOM 0 HA ALA A 76 14.984 -1.378 -8.295 1.00 0.00 H new ATOM 0 HB1 ALA A 76 13.804 -3.044 -6.898 1.00 0.00 H new ATOM 0 HB2 ALA A 76 15.524 -2.913 -6.458 1.00 0.00 H new ATOM 0 HB3 ALA A 76 14.283 -2.147 -5.438 1.00 0.00 H new ATOM 1116 N LYS A 77 12.527 -0.801 -8.356 1.00 0.00 N ATOM 1117 CA LYS A 77 11.207 -0.210 -8.546 1.00 0.00 C ATOM 1118 C LYS A 77 10.109 -1.229 -8.259 1.00 0.00 C ATOM 1119 O LYS A 77 10.088 -2.313 -8.843 1.00 0.00 O ATOM 1120 CB LYS A 77 11.065 0.321 -9.974 1.00 0.00 C ATOM 1121 CG LYS A 77 11.551 1.750 -10.143 1.00 0.00 C ATOM 1122 CD LYS A 77 11.849 2.070 -11.598 1.00 0.00 C ATOM 1123 CE LYS A 77 13.282 1.716 -11.965 1.00 0.00 C ATOM 1124 NZ LYS A 77 13.417 0.285 -12.355 1.00 0.00 N ATOM 0 H LYS A 77 12.771 -1.516 -9.041 1.00 0.00 H new ATOM 0 HA LYS A 77 11.102 0.618 -7.845 1.00 0.00 H new ATOM 0 HB2 LYS A 77 11.623 -0.326 -10.650 1.00 0.00 H new ATOM 0 HB3 LYS A 77 10.018 0.265 -10.271 1.00 0.00 H new ATOM 0 HG2 LYS A 77 10.796 2.439 -9.765 1.00 0.00 H new ATOM 0 HG3 LYS A 77 12.449 1.903 -9.545 1.00 0.00 H new ATOM 0 HD2 LYS A 77 11.161 1.520 -12.241 1.00 0.00 H new ATOM 0 HD3 LYS A 77 11.677 3.131 -11.781 1.00 0.00 H new ATOM 0 HE2 LYS A 77 13.613 2.350 -12.788 1.00 0.00 H new ATOM 0 HE3 LYS A 77 13.936 1.925 -11.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 14.189 0.184 -13.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 13.629 -0.286 -11.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 12.527 -0.044 -12.781 1.00 0.00 H new ATOM 1138 N ILE A 78 9.198 -0.873 -7.360 1.00 0.00 N ATOM 1139 CA ILE A 78 8.096 -1.756 -6.999 1.00 0.00 C ATOM 1140 C ILE A 78 6.759 -1.026 -7.078 1.00 0.00 C ATOM 1141 O ILE A 78 6.696 0.195 -6.936 1.00 0.00 O ATOM 1142 CB ILE A 78 8.273 -2.326 -5.579 1.00 0.00 C ATOM 1143 CG1 ILE A 78 8.357 -1.191 -4.557 1.00 0.00 C ATOM 1144 CG2 ILE A 78 9.516 -3.201 -5.511 1.00 0.00 C ATOM 1145 CD1 ILE A 78 7.012 -0.774 -4.004 1.00 0.00 C ATOM 0 H ILE A 78 9.201 0.021 -6.868 1.00 0.00 H new ATOM 0 HA ILE A 78 8.102 -2.578 -7.715 1.00 0.00 H new ATOM 0 HB ILE A 78 7.406 -2.941 -5.339 1.00 0.00 H new ATOM 0 HG12 ILE A 78 8.999 -1.502 -3.733 1.00 0.00 H new ATOM 0 HG13 ILE A 78 8.832 -0.328 -5.023 1.00 0.00 H new ATOM 0 HG21 ILE A 78 9.628 -3.597 -4.501 1.00 0.00 H new ATOM 0 HG22 ILE A 78 9.419 -4.027 -6.216 1.00 0.00 H new ATOM 0 HG23 ILE A 78 10.393 -2.607 -5.767 1.00 0.00 H new ATOM 0 HD11 ILE A 78 7.149 0.035 -3.286 1.00 0.00 H new ATOM 0 HD12 ILE A 78 6.374 -0.432 -4.819 1.00 0.00 H new ATOM 0 HD13 ILE A 78 6.543 -1.624 -3.508 1.00 0.00 H new ATOM 1157 N PHE A 79 5.691 -1.784 -7.305 1.00 0.00 N ATOM 1158 CA PHE A 79 4.354 -1.210 -7.402 1.00 0.00 C ATOM 1159 C PHE A 79 3.575 -1.423 -6.108 1.00 0.00 C ATOM 1160 O PHE A 79 3.601 -2.507 -5.525 1.00 0.00 O ATOM 1161 CB PHE A 79 3.593 -1.831 -8.576 1.00 0.00 C ATOM 1162 CG PHE A 79 4.267 -1.625 -9.903 1.00 0.00 C ATOM 1163 CD1 PHE A 79 4.019 -0.485 -10.651 1.00 0.00 C ATOM 1164 CD2 PHE A 79 5.148 -2.571 -10.402 1.00 0.00 C ATOM 1165 CE1 PHE A 79 4.637 -0.292 -11.872 1.00 0.00 C ATOM 1166 CE2 PHE A 79 5.769 -2.383 -11.622 1.00 0.00 C ATOM 1167 CZ PHE A 79 5.513 -1.243 -12.358 1.00 0.00 C ATOM 0 H PHE A 79 5.725 -2.796 -7.425 1.00 0.00 H new ATOM 0 HA PHE A 79 4.458 -0.138 -7.571 1.00 0.00 H new ATOM 0 HB2 PHE A 79 3.477 -2.900 -8.399 1.00 0.00 H new ATOM 0 HB3 PHE A 79 2.591 -1.404 -8.616 1.00 0.00 H new ATOM 0 HD1 PHE A 79 3.335 0.261 -10.275 1.00 0.00 H new ATOM 0 HD2 PHE A 79 5.352 -3.465 -9.831 1.00 0.00 H new ATOM 0 HE1 PHE A 79 4.435 0.601 -12.445 1.00 0.00 H new ATOM 0 HE2 PHE A 79 6.454 -3.127 -12.000 1.00 0.00 H new ATOM 0 HZ PHE A 79 5.997 -1.095 -13.312 1.00 0.00 H new ATOM 1177 N VAL A 80 2.882 -0.379 -5.663 1.00 0.00 N ATOM 1178 CA VAL A 80 2.094 -0.451 -4.437 1.00 0.00 C ATOM 1179 C VAL A 80 0.612 -0.244 -4.724 1.00 0.00 C ATOM 1180 O VAL A 80 0.230 0.691 -5.429 1.00 0.00 O ATOM 1181 CB VAL A 80 2.559 0.598 -3.410 1.00 0.00 C ATOM 1182 CG1 VAL A 80 1.624 0.621 -2.210 1.00 0.00 C ATOM 1183 CG2 VAL A 80 3.990 0.321 -2.976 1.00 0.00 C ATOM 0 H VAL A 80 2.850 0.526 -6.133 1.00 0.00 H new ATOM 0 HA VAL A 80 2.244 -1.447 -4.021 1.00 0.00 H new ATOM 0 HB VAL A 80 2.531 1.580 -3.882 1.00 0.00 H new ATOM 0 HG11 VAL A 80 1.968 1.368 -1.495 1.00 0.00 H new ATOM 0 HG12 VAL A 80 0.616 0.871 -2.539 1.00 0.00 H new ATOM 0 HG13 VAL A 80 1.617 -0.360 -1.735 1.00 0.00 H new ATOM 0 HG21 VAL A 80 4.302 1.072 -2.250 1.00 0.00 H new ATOM 0 HG22 VAL A 80 4.047 -0.668 -2.522 1.00 0.00 H new ATOM 0 HG23 VAL A 80 4.648 0.360 -3.844 1.00 0.00 H new ATOM 1193 N ARG A 81 -0.220 -1.122 -4.173 1.00 0.00 N ATOM 1194 CA ARG A 81 -1.662 -1.036 -4.370 1.00 0.00 C ATOM 1195 C ARG A 81 -2.410 -1.510 -3.128 1.00 0.00 C ATOM 1196 O ARG A 81 -2.197 -2.625 -2.650 1.00 0.00 O ATOM 1197 CB ARG A 81 -2.084 -1.869 -5.582 1.00 0.00 C ATOM 1198 CG ARG A 81 -2.014 -3.369 -5.343 1.00 0.00 C ATOM 1199 CD ARG A 81 -3.327 -3.908 -4.799 1.00 0.00 C ATOM 1200 NE ARG A 81 -3.127 -5.071 -3.938 1.00 0.00 N ATOM 1201 CZ ARG A 81 -4.074 -5.965 -3.679 1.00 0.00 C ATOM 1202 NH1 ARG A 81 -5.281 -5.831 -4.211 1.00 0.00 N ATOM 1203 NH2 ARG A 81 -3.815 -6.997 -2.886 1.00 0.00 N ATOM 0 H ARG A 81 0.080 -1.901 -3.587 1.00 0.00 H new ATOM 0 HA ARG A 81 -1.917 0.009 -4.550 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -3.103 -1.601 -5.860 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -1.446 -1.614 -6.428 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -1.770 -3.876 -6.276 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -1.210 -3.590 -4.641 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -3.836 -3.124 -4.237 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -3.979 -4.179 -5.629 1.00 0.00 H new ATOM 0 HE ARG A 81 -2.210 -5.204 -3.512 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -5.484 -5.039 -4.821 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -6.006 -6.520 -4.010 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -2.888 -7.104 -2.475 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -4.543 -7.683 -2.688 1.00 0.00 H new ATOM 1217 N VAL A 82 -3.287 -0.657 -2.609 1.00 0.00 N ATOM 1218 CA VAL A 82 -4.067 -0.989 -1.423 1.00 0.00 C ATOM 1219 C VAL A 82 -5.516 -1.293 -1.785 1.00 0.00 C ATOM 1220 O VAL A 82 -5.991 -0.921 -2.858 1.00 0.00 O ATOM 1221 CB VAL A 82 -4.037 0.156 -0.393 1.00 0.00 C ATOM 1222 CG1 VAL A 82 -2.674 0.237 0.277 1.00 0.00 C ATOM 1223 CG2 VAL A 82 -4.394 1.478 -1.056 1.00 0.00 C ATOM 0 H VAL A 82 -3.475 0.270 -2.992 1.00 0.00 H new ATOM 0 HA VAL A 82 -3.611 -1.876 -0.983 1.00 0.00 H new ATOM 0 HB VAL A 82 -4.781 -0.051 0.376 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -2.672 1.052 1.001 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -2.463 -0.703 0.787 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -1.908 0.420 -0.477 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -4.368 2.276 -0.314 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.676 1.694 -1.847 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -5.395 1.412 -1.483 1.00 0.00 H new ATOM 1233 N LYS A 83 -6.216 -1.973 -0.883 1.00 0.00 N ATOM 1234 CA LYS A 83 -7.612 -2.328 -1.106 1.00 0.00 C ATOM 1235 C LYS A 83 -8.342 -2.523 0.220 1.00 0.00 C ATOM 1236 O LYS A 83 -7.746 -2.945 1.210 1.00 0.00 O ATOM 1237 CB LYS A 83 -7.709 -3.603 -1.946 1.00 0.00 C ATOM 1238 CG LYS A 83 -8.961 -4.418 -1.673 1.00 0.00 C ATOM 1239 CD LYS A 83 -9.033 -5.646 -2.565 1.00 0.00 C ATOM 1240 CE LYS A 83 -8.141 -6.764 -2.048 1.00 0.00 C ATOM 1241 NZ LYS A 83 -8.433 -8.062 -2.717 1.00 0.00 N ATOM 0 H LYS A 83 -5.838 -2.289 0.010 1.00 0.00 H new ATOM 0 HA LYS A 83 -8.087 -1.509 -1.646 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -7.683 -3.335 -3.002 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -6.833 -4.223 -1.753 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -8.975 -4.725 -0.627 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -9.842 -3.798 -1.835 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -10.063 -5.997 -2.620 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -8.733 -5.379 -3.578 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -7.096 -6.499 -2.210 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -8.280 -6.871 -0.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -7.804 -8.798 -2.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -9.423 -8.328 -2.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -8.276 -7.968 -3.741 1.00 0.00 H new ATOM 1255 N ALA A 84 -9.635 -2.215 0.229 1.00 0.00 N ATOM 1256 CA ALA A 84 -10.446 -2.361 1.432 1.00 0.00 C ATOM 1257 C ALA A 84 -11.295 -3.626 1.372 1.00 0.00 C ATOM 1258 O ALA A 84 -11.806 -3.993 0.314 1.00 0.00 O ATOM 1259 CB ALA A 84 -11.330 -1.138 1.623 1.00 0.00 C ATOM 0 H ALA A 84 -10.143 -1.863 -0.582 1.00 0.00 H new ATOM 0 HA ALA A 84 -9.774 -2.447 2.286 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -11.930 -1.260 2.525 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -10.706 -0.250 1.720 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -11.988 -1.027 0.761 1.00 0.00 H new ATOM 1265 N VAL A 85 -11.440 -4.290 2.514 1.00 0.00 N ATOM 1266 CA VAL A 85 -12.228 -5.514 2.591 1.00 0.00 C ATOM 1267 C VAL A 85 -13.187 -5.477 3.776 1.00 0.00 C ATOM 1268 O VAL A 85 -12.799 -5.133 4.891 1.00 0.00 O ATOM 1269 CB VAL A 85 -11.325 -6.756 2.716 1.00 0.00 C ATOM 1270 CG1 VAL A 85 -12.090 -8.013 2.332 1.00 0.00 C ATOM 1271 CG2 VAL A 85 -10.080 -6.596 1.856 1.00 0.00 C ATOM 0 H VAL A 85 -11.022 -4.001 3.398 1.00 0.00 H new ATOM 0 HA VAL A 85 -12.800 -5.580 1.666 1.00 0.00 H new ATOM 0 HB VAL A 85 -11.012 -6.854 3.755 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -11.436 -8.880 2.426 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -12.949 -8.132 2.993 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -12.434 -7.929 1.301 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -9.453 -7.482 1.956 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -10.372 -6.473 0.813 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -9.523 -5.718 2.183 1.00 0.00 H new ATOM 1281 N ASN A 86 -14.443 -5.834 3.525 1.00 0.00 N ATOM 1282 CA ASN A 86 -15.459 -5.841 4.571 1.00 0.00 C ATOM 1283 C ASN A 86 -16.468 -6.962 4.341 1.00 0.00 C ATOM 1284 O ASN A 86 -16.349 -7.733 3.389 1.00 0.00 O ATOM 1285 CB ASN A 86 -16.180 -4.493 4.619 1.00 0.00 C ATOM 1286 CG ASN A 86 -16.376 -3.892 3.241 1.00 0.00 C ATOM 1287 OD1 ASN A 86 -17.505 -3.730 2.777 1.00 0.00 O ATOM 1288 ND2 ASN A 86 -15.274 -3.557 2.579 1.00 0.00 N ATOM 0 H ASN A 86 -14.781 -6.122 2.607 1.00 0.00 H new ATOM 0 HA ASN A 86 -14.962 -6.014 5.525 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -17.151 -4.620 5.098 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -15.608 -3.800 5.236 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -15.343 -3.148 1.647 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -14.359 -3.709 3.002 1.00 0.00 H new ATOM 1295 N ALA A 87 -17.462 -7.046 5.220 1.00 0.00 N ATOM 1296 CA ALA A 87 -18.493 -8.070 5.112 1.00 0.00 C ATOM 1297 C ALA A 87 -19.028 -8.162 3.687 1.00 0.00 C ATOM 1298 O ALA A 87 -19.099 -9.246 3.109 1.00 0.00 O ATOM 1299 CB ALA A 87 -19.626 -7.783 6.085 1.00 0.00 C ATOM 0 H ALA A 87 -17.574 -6.417 6.015 1.00 0.00 H new ATOM 0 HA ALA A 87 -18.044 -9.030 5.367 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -20.389 -8.556 5.993 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -19.238 -7.775 7.103 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -20.064 -6.812 5.857 1.00 0.00 H new ATOM 1305 N ALA A 88 -19.405 -7.017 3.126 1.00 0.00 N ATOM 1306 CA ALA A 88 -19.932 -6.969 1.768 1.00 0.00 C ATOM 1307 C ALA A 88 -18.977 -7.637 0.784 1.00 0.00 C ATOM 1308 O ALA A 88 -19.393 -8.120 -0.268 1.00 0.00 O ATOM 1309 CB ALA A 88 -20.196 -5.529 1.355 1.00 0.00 C ATOM 0 H ALA A 88 -19.355 -6.111 3.591 1.00 0.00 H new ATOM 0 HA ALA A 88 -20.873 -7.519 1.751 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -20.589 -5.508 0.339 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -20.922 -5.083 2.034 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -19.266 -4.962 1.396 1.00 0.00 H new ATOM 1315 N GLY A 89 -17.695 -7.659 1.133 1.00 0.00 N ATOM 1316 CA GLY A 89 -16.701 -8.268 0.269 1.00 0.00 C ATOM 1317 C GLY A 89 -15.410 -7.476 0.221 1.00 0.00 C ATOM 1318 O GLY A 89 -14.729 -7.323 1.235 1.00 0.00 O ATOM 0 H GLY A 89 -17.327 -7.266 1.999 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -16.491 -9.279 0.619 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -17.106 -8.357 -0.739 1.00 0.00 H new ATOM 1322 N ALA A 90 -15.070 -6.972 -0.961 1.00 0.00 N ATOM 1323 CA ALA A 90 -13.852 -6.191 -1.137 1.00 0.00 C ATOM 1324 C ALA A 90 -14.060 -5.071 -2.151 1.00 0.00 C ATOM 1325 O ALA A 90 -14.936 -5.154 -3.011 1.00 0.00 O ATOM 1326 CB ALA A 90 -12.705 -7.092 -1.571 1.00 0.00 C ATOM 0 H ALA A 90 -15.621 -7.091 -1.811 1.00 0.00 H new ATOM 0 HA ALA A 90 -13.600 -5.736 -0.179 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -11.802 -6.495 -1.699 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -12.532 -7.853 -0.810 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -12.958 -7.574 -2.515 1.00 0.00 H new ATOM 1332 N SER A 91 -13.249 -4.023 -2.043 1.00 0.00 N ATOM 1333 CA SER A 91 -13.347 -2.884 -2.948 1.00 0.00 C ATOM 1334 C SER A 91 -12.267 -2.950 -4.023 1.00 0.00 C ATOM 1335 O SER A 91 -11.347 -3.763 -3.944 1.00 0.00 O ATOM 1336 CB SER A 91 -13.227 -1.574 -2.167 1.00 0.00 C ATOM 1337 OG SER A 91 -11.957 -1.465 -1.546 1.00 0.00 O ATOM 0 H SER A 91 -12.517 -3.939 -1.338 1.00 0.00 H new ATOM 0 HA SER A 91 -14.322 -2.920 -3.435 1.00 0.00 H new ATOM 0 HB2 SER A 91 -13.380 -0.730 -2.840 1.00 0.00 H new ATOM 0 HB3 SER A 91 -14.011 -1.525 -1.411 1.00 0.00 H new ATOM 0 HG SER A 91 -11.283 -1.234 -2.219 1.00 0.00 H new ATOM 1343 N GLU A 92 -12.387 -2.087 -5.027 1.00 0.00 N ATOM 1344 CA GLU A 92 -11.422 -2.047 -6.119 1.00 0.00 C ATOM 1345 C GLU A 92 -10.051 -1.603 -5.617 1.00 0.00 C ATOM 1346 O GLU A 92 -9.929 -0.730 -4.758 1.00 0.00 O ATOM 1347 CB GLU A 92 -11.904 -1.103 -7.222 1.00 0.00 C ATOM 1348 CG GLU A 92 -11.540 0.352 -6.980 1.00 0.00 C ATOM 1349 CD GLU A 92 -12.248 1.297 -7.931 1.00 0.00 C ATOM 1350 OE1 GLU A 92 -11.777 1.447 -9.078 1.00 0.00 O ATOM 1351 OE2 GLU A 92 -13.273 1.887 -7.529 1.00 0.00 O ATOM 0 H GLU A 92 -13.143 -1.407 -5.107 1.00 0.00 H new ATOM 0 HA GLU A 92 -11.332 -3.054 -6.527 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -11.478 -1.422 -8.173 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -12.987 -1.187 -7.313 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -11.792 0.620 -5.954 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -10.462 0.475 -7.087 1.00 0.00 H new ATOM 1358 N PRO A 93 -8.992 -2.218 -6.166 1.00 0.00 N ATOM 1359 CA PRO A 93 -7.611 -1.903 -5.790 1.00 0.00 C ATOM 1360 C PRO A 93 -7.180 -0.521 -6.270 1.00 0.00 C ATOM 1361 O PRO A 93 -7.598 -0.064 -7.334 1.00 0.00 O ATOM 1362 CB PRO A 93 -6.795 -2.991 -6.493 1.00 0.00 C ATOM 1363 CG PRO A 93 -7.636 -3.407 -7.650 1.00 0.00 C ATOM 1364 CD PRO A 93 -9.063 -3.268 -7.196 1.00 0.00 C ATOM 0 HA PRO A 93 -7.478 -1.883 -4.708 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -5.828 -2.610 -6.823 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -6.596 -3.830 -5.826 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -7.440 -2.780 -8.520 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -7.418 -4.434 -7.942 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -9.720 -2.982 -8.017 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -9.449 -4.203 -6.791 1.00 0.00 H new ATOM 1372 N LYS A 94 -6.342 0.141 -5.479 1.00 0.00 N ATOM 1373 CA LYS A 94 -5.853 1.470 -5.823 1.00 0.00 C ATOM 1374 C LYS A 94 -4.419 1.405 -6.340 1.00 0.00 C ATOM 1375 O LYS A 94 -3.471 1.331 -5.558 1.00 0.00 O ATOM 1376 CB LYS A 94 -5.926 2.394 -4.605 1.00 0.00 C ATOM 1377 CG LYS A 94 -5.274 3.747 -4.828 1.00 0.00 C ATOM 1378 CD LYS A 94 -5.721 4.373 -6.139 1.00 0.00 C ATOM 1379 CE LYS A 94 -5.476 5.874 -6.152 1.00 0.00 C ATOM 1380 NZ LYS A 94 -5.918 6.497 -7.430 1.00 0.00 N ATOM 0 H LYS A 94 -5.987 -0.222 -4.594 1.00 0.00 H new ATOM 0 HA LYS A 94 -6.488 1.870 -6.613 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -6.971 2.544 -4.335 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -5.446 1.904 -3.758 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -5.524 4.413 -4.002 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -4.190 3.634 -4.829 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -5.185 3.909 -6.967 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -6.781 4.175 -6.295 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -6.007 6.336 -5.320 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -4.415 6.070 -6.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -5.734 7.520 -7.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -5.393 6.074 -8.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -6.936 6.332 -7.563 1.00 0.00 H new ATOM 1394 N TYR A 95 -4.269 1.436 -7.659 1.00 0.00 N ATOM 1395 CA TYR A 95 -2.951 1.380 -8.280 1.00 0.00 C ATOM 1396 C TYR A 95 -2.293 2.756 -8.287 1.00 0.00 C ATOM 1397 O TYR A 95 -2.921 3.755 -8.640 1.00 0.00 O ATOM 1398 CB TYR A 95 -3.059 0.846 -9.709 1.00 0.00 C ATOM 1399 CG TYR A 95 -3.155 -0.661 -9.787 1.00 0.00 C ATOM 1400 CD1 TYR A 95 -4.081 -1.358 -9.022 1.00 0.00 C ATOM 1401 CD2 TYR A 95 -2.320 -1.387 -10.628 1.00 0.00 C ATOM 1402 CE1 TYR A 95 -4.172 -2.735 -9.090 1.00 0.00 C ATOM 1403 CE2 TYR A 95 -2.405 -2.763 -10.703 1.00 0.00 C ATOM 1404 CZ TYR A 95 -3.331 -3.433 -9.932 1.00 0.00 C ATOM 1405 OH TYR A 95 -3.419 -4.804 -10.003 1.00 0.00 O ATOM 0 H TYR A 95 -5.044 1.500 -8.319 1.00 0.00 H new ATOM 0 HA TYR A 95 -2.330 0.704 -7.693 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -3.937 1.283 -10.186 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -2.190 1.176 -10.278 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -4.741 -0.814 -8.363 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -1.593 -0.866 -11.233 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -4.897 -3.262 -8.488 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -1.749 -3.312 -11.363 1.00 0.00 H new ATOM 0 HH TYR A 95 -2.587 -5.203 -9.673 1.00 0.00 H new ATOM 1415 N TYR A 96 -1.024 2.801 -7.896 1.00 0.00 N ATOM 1416 CA TYR A 96 -0.280 4.054 -7.855 1.00 0.00 C ATOM 1417 C TYR A 96 0.152 4.476 -9.256 1.00 0.00 C ATOM 1418 O TYR A 96 0.731 3.688 -10.003 1.00 0.00 O ATOM 1419 CB TYR A 96 0.946 3.914 -6.951 1.00 0.00 C ATOM 1420 CG TYR A 96 1.570 5.237 -6.569 1.00 0.00 C ATOM 1421 CD1 TYR A 96 2.043 6.112 -7.540 1.00 0.00 C ATOM 1422 CD2 TYR A 96 1.686 5.613 -5.236 1.00 0.00 C ATOM 1423 CE1 TYR A 96 2.614 7.321 -7.195 1.00 0.00 C ATOM 1424 CE2 TYR A 96 2.255 6.822 -4.882 1.00 0.00 C ATOM 1425 CZ TYR A 96 2.718 7.671 -5.865 1.00 0.00 C ATOM 1426 OH TYR A 96 3.285 8.876 -5.517 1.00 0.00 O ATOM 0 H TYR A 96 -0.489 1.983 -7.603 1.00 0.00 H new ATOM 0 HA TYR A 96 -0.936 4.824 -7.449 1.00 0.00 H new ATOM 0 HB2 TYR A 96 0.660 3.382 -6.044 1.00 0.00 H new ATOM 0 HB3 TYR A 96 1.693 3.302 -7.457 1.00 0.00 H new ATOM 0 HD1 TYR A 96 1.963 5.842 -8.582 1.00 0.00 H new ATOM 0 HD2 TYR A 96 1.326 4.949 -4.464 1.00 0.00 H new ATOM 0 HE1 TYR A 96 2.977 7.989 -7.962 1.00 0.00 H new ATOM 0 HE2 TYR A 96 2.336 7.100 -3.842 1.00 0.00 H new ATOM 0 HH TYR A 96 3.281 8.970 -4.542 1.00 0.00 H new ATOM 1436 N SER A 97 -0.132 5.727 -9.604 1.00 0.00 N ATOM 1437 CA SER A 97 0.224 6.256 -10.916 1.00 0.00 C ATOM 1438 C SER A 97 1.624 5.805 -11.321 1.00 0.00 C ATOM 1439 O SER A 97 1.784 4.960 -12.201 1.00 0.00 O ATOM 1440 CB SER A 97 0.148 7.784 -10.911 1.00 0.00 C ATOM 1441 OG SER A 97 0.640 8.322 -12.126 1.00 0.00 O ATOM 0 H SER A 97 -0.608 6.393 -8.996 1.00 0.00 H new ATOM 0 HA SER A 97 -0.488 5.867 -11.644 1.00 0.00 H new ATOM 0 HB2 SER A 97 -0.885 8.100 -10.761 1.00 0.00 H new ATOM 0 HB3 SER A 97 0.726 8.177 -10.075 1.00 0.00 H new ATOM 0 HG SER A 97 0.579 9.300 -12.099 1.00 0.00 H new ATOM 1447 N GLN A 98 2.633 6.377 -10.672 1.00 0.00 N ATOM 1448 CA GLN A 98 4.020 6.035 -10.965 1.00 0.00 C ATOM 1449 C GLN A 98 4.597 5.127 -9.884 1.00 0.00 C ATOM 1450 O GLN A 98 4.224 5.202 -8.713 1.00 0.00 O ATOM 1451 CB GLN A 98 4.865 7.304 -11.087 1.00 0.00 C ATOM 1452 CG GLN A 98 5.461 7.768 -9.768 1.00 0.00 C ATOM 1453 CD GLN A 98 5.982 9.190 -9.830 1.00 0.00 C ATOM 1454 OE1 GLN A 98 7.156 9.421 -10.122 1.00 0.00 O ATOM 1455 NE2 GLN A 98 5.110 10.153 -9.556 1.00 0.00 N ATOM 0 H GLN A 98 2.516 7.078 -9.941 1.00 0.00 H new ATOM 0 HA GLN A 98 4.043 5.499 -11.914 1.00 0.00 H new ATOM 0 HB2 GLN A 98 5.672 7.126 -11.798 1.00 0.00 H new ATOM 0 HB3 GLN A 98 4.248 8.103 -11.498 1.00 0.00 H new ATOM 0 HG2 GLN A 98 4.704 7.696 -8.987 1.00 0.00 H new ATOM 0 HG3 GLN A 98 6.274 7.099 -9.486 1.00 0.00 H new ATOM 0 HE21 GLN A 98 4.147 9.916 -9.319 1.00 0.00 H new ATOM 0 HE22 GLN A 98 5.403 11.130 -9.583 1.00 0.00 H new ATOM 1464 N PRO A 99 5.529 4.249 -10.283 1.00 0.00 N ATOM 1465 CA PRO A 99 6.178 3.310 -9.363 1.00 0.00 C ATOM 1466 C PRO A 99 7.116 4.011 -8.386 1.00 0.00 C ATOM 1467 O PRO A 99 7.575 5.125 -8.642 1.00 0.00 O ATOM 1468 CB PRO A 99 6.968 2.389 -10.295 1.00 0.00 C ATOM 1469 CG PRO A 99 7.219 3.208 -11.514 1.00 0.00 C ATOM 1470 CD PRO A 99 6.022 4.106 -11.663 1.00 0.00 C ATOM 0 HA PRO A 99 5.455 2.787 -8.737 1.00 0.00 H new ATOM 0 HB2 PRO A 99 7.902 2.067 -9.835 1.00 0.00 H new ATOM 0 HB3 PRO A 99 6.403 1.488 -10.533 1.00 0.00 H new ATOM 0 HG2 PRO A 99 8.134 3.791 -11.411 1.00 0.00 H new ATOM 0 HG3 PRO A 99 7.343 2.574 -12.392 1.00 0.00 H new ATOM 0 HD2 PRO A 99 6.294 5.069 -12.095 1.00 0.00 H new ATOM 0 HD3 PRO A 99 5.268 3.666 -12.315 1.00 0.00 H new ATOM 1478 N ILE A 100 7.398 3.352 -7.267 1.00 0.00 N ATOM 1479 CA ILE A 100 8.282 3.911 -6.253 1.00 0.00 C ATOM 1480 C ILE A 100 9.684 3.321 -6.361 1.00 0.00 C ATOM 1481 O ILE A 100 9.849 2.122 -6.590 1.00 0.00 O ATOM 1482 CB ILE A 100 7.740 3.662 -4.833 1.00 0.00 C ATOM 1483 CG1 ILE A 100 6.234 3.926 -4.786 1.00 0.00 C ATOM 1484 CG2 ILE A 100 8.469 4.540 -3.827 1.00 0.00 C ATOM 1485 CD1 ILE A 100 5.570 3.411 -3.528 1.00 0.00 C ATOM 0 H ILE A 100 7.026 2.430 -7.040 1.00 0.00 H new ATOM 0 HA ILE A 100 8.327 4.985 -6.432 1.00 0.00 H new ATOM 0 HB ILE A 100 7.916 2.619 -4.570 1.00 0.00 H new ATOM 0 HG12 ILE A 100 6.059 4.999 -4.867 1.00 0.00 H new ATOM 0 HG13 ILE A 100 5.764 3.460 -5.652 1.00 0.00 H new ATOM 0 HG21 ILE A 100 8.075 4.353 -2.828 1.00 0.00 H new ATOM 0 HG22 ILE A 100 9.534 4.308 -3.846 1.00 0.00 H new ATOM 0 HG23 ILE A 100 8.321 5.589 -4.085 1.00 0.00 H new ATOM 0 HD11 ILE A 100 4.503 3.633 -3.563 1.00 0.00 H new ATOM 0 HD12 ILE A 100 5.714 2.333 -3.456 1.00 0.00 H new ATOM 0 HD13 ILE A 100 6.013 3.896 -2.658 1.00 0.00 H new ATOM 1497 N LEU A 101 10.692 4.170 -6.192 1.00 0.00 N ATOM 1498 CA LEU A 101 12.082 3.733 -6.268 1.00 0.00 C ATOM 1499 C LEU A 101 12.720 3.704 -4.883 1.00 0.00 C ATOM 1500 O LEU A 101 13.147 4.736 -4.364 1.00 0.00 O ATOM 1501 CB LEU A 101 12.878 4.657 -7.191 1.00 0.00 C ATOM 1502 CG LEU A 101 14.397 4.479 -7.171 1.00 0.00 C ATOM 1503 CD1 LEU A 101 14.812 3.329 -8.075 1.00 0.00 C ATOM 1504 CD2 LEU A 101 15.090 5.767 -7.591 1.00 0.00 C ATOM 0 H LEU A 101 10.573 5.165 -6.001 1.00 0.00 H new ATOM 0 HA LEU A 101 12.098 2.722 -6.676 1.00 0.00 H new ATOM 0 HB2 LEU A 101 12.528 4.507 -8.212 1.00 0.00 H new ATOM 0 HB3 LEU A 101 12.650 5.689 -6.924 1.00 0.00 H new ATOM 0 HG LEU A 101 14.702 4.241 -6.152 1.00 0.00 H new ATOM 0 HD11 LEU A 101 15.896 3.218 -8.048 1.00 0.00 H new ATOM 0 HD12 LEU A 101 14.344 2.407 -7.729 1.00 0.00 H new ATOM 0 HD13 LEU A 101 14.494 3.536 -9.097 1.00 0.00 H new ATOM 0 HD21 LEU A 101 16.170 5.622 -7.571 1.00 0.00 H new ATOM 0 HD22 LEU A 101 14.778 6.035 -8.600 1.00 0.00 H new ATOM 0 HD23 LEU A 101 14.818 6.567 -6.903 1.00 0.00 H new ATOM 1516 N VAL A 102 12.784 2.516 -4.291 1.00 0.00 N ATOM 1517 CA VAL A 102 13.374 2.353 -2.967 1.00 0.00 C ATOM 1518 C VAL A 102 14.753 2.998 -2.897 1.00 0.00 C ATOM 1519 O VAL A 102 15.771 2.340 -3.113 1.00 0.00 O ATOM 1520 CB VAL A 102 13.496 0.865 -2.587 1.00 0.00 C ATOM 1521 CG1 VAL A 102 14.327 0.116 -3.618 1.00 0.00 C ATOM 1522 CG2 VAL A 102 14.097 0.718 -1.197 1.00 0.00 C ATOM 0 H VAL A 102 12.435 1.652 -4.707 1.00 0.00 H new ATOM 0 HA VAL A 102 12.708 2.848 -2.260 1.00 0.00 H new ATOM 0 HB VAL A 102 12.497 0.428 -2.575 1.00 0.00 H new ATOM 0 HG11 VAL A 102 14.402 -0.933 -3.332 1.00 0.00 H new ATOM 0 HG12 VAL A 102 13.850 0.193 -4.595 1.00 0.00 H new ATOM 0 HG13 VAL A 102 15.325 0.551 -3.666 1.00 0.00 H new ATOM 0 HG21 VAL A 102 14.176 -0.339 -0.945 1.00 0.00 H new ATOM 0 HG22 VAL A 102 15.089 1.170 -1.180 1.00 0.00 H new ATOM 0 HG23 VAL A 102 13.458 1.218 -0.469 1.00 0.00 H new ATOM 1532 N LYS A 103 14.780 4.291 -2.591 1.00 0.00 N ATOM 1533 CA LYS A 103 16.034 5.028 -2.490 1.00 0.00 C ATOM 1534 C LYS A 103 15.992 6.015 -1.328 1.00 0.00 C ATOM 1535 O LYS A 103 14.920 6.451 -0.911 1.00 0.00 O ATOM 1536 CB LYS A 103 16.319 5.773 -3.796 1.00 0.00 C ATOM 1537 CG LYS A 103 17.763 6.222 -3.936 1.00 0.00 C ATOM 1538 CD LYS A 103 18.675 5.064 -4.307 1.00 0.00 C ATOM 1539 CE LYS A 103 20.016 5.556 -4.829 1.00 0.00 C ATOM 1540 NZ LYS A 103 21.025 4.461 -4.883 1.00 0.00 N ATOM 0 H LYS A 103 13.947 4.850 -2.409 1.00 0.00 H new ATOM 0 HA LYS A 103 16.834 4.311 -2.307 1.00 0.00 H new ATOM 0 HB2 LYS A 103 16.065 5.127 -4.636 1.00 0.00 H new ATOM 0 HB3 LYS A 103 15.668 6.645 -3.857 1.00 0.00 H new ATOM 0 HG2 LYS A 103 17.831 6.998 -4.698 1.00 0.00 H new ATOM 0 HG3 LYS A 103 18.099 6.665 -2.999 1.00 0.00 H new ATOM 0 HD2 LYS A 103 18.833 4.430 -3.434 1.00 0.00 H new ATOM 0 HD3 LYS A 103 18.192 4.448 -5.065 1.00 0.00 H new ATOM 0 HE2 LYS A 103 19.885 5.979 -5.825 1.00 0.00 H new ATOM 0 HE3 LYS A 103 20.383 6.357 -4.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 21.925 4.836 -5.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 21.169 4.074 -3.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 20.686 3.707 -5.515 1.00 0.00 H new ATOM 1554 N GLU A 104 17.166 6.365 -0.811 1.00 0.00 N ATOM 1555 CA GLU A 104 17.262 7.301 0.302 1.00 0.00 C ATOM 1556 C GLU A 104 17.571 8.710 -0.197 1.00 0.00 C ATOM 1557 O GLU A 104 18.257 8.887 -1.203 1.00 0.00 O ATOM 1558 CB GLU A 104 18.342 6.849 1.287 1.00 0.00 C ATOM 1559 CG GLU A 104 18.671 7.886 2.349 1.00 0.00 C ATOM 1560 CD GLU A 104 19.947 7.565 3.102 1.00 0.00 C ATOM 1561 OE1 GLU A 104 20.989 7.364 2.444 1.00 0.00 O ATOM 1562 OE2 GLU A 104 19.904 7.515 4.349 1.00 0.00 O ATOM 0 H GLU A 104 18.063 6.014 -1.146 1.00 0.00 H new ATOM 0 HA GLU A 104 16.299 7.318 0.813 1.00 0.00 H new ATOM 0 HB2 GLU A 104 18.015 5.932 1.776 1.00 0.00 H new ATOM 0 HB3 GLU A 104 19.249 6.608 0.733 1.00 0.00 H new ATOM 0 HG2 GLU A 104 18.768 8.864 1.878 1.00 0.00 H new ATOM 0 HG3 GLU A 104 17.844 7.952 3.055 1.00 0.00 H new ATOM 1569 N SER A 105 17.058 9.709 0.514 1.00 0.00 N ATOM 1570 CA SER A 105 17.274 11.102 0.141 1.00 0.00 C ATOM 1571 C SER A 105 18.248 11.777 1.103 1.00 0.00 C ATOM 1572 O SER A 105 17.866 12.207 2.190 1.00 0.00 O ATOM 1573 CB SER A 105 15.946 11.861 0.128 1.00 0.00 C ATOM 1574 OG SER A 105 16.122 13.189 -0.334 1.00 0.00 O ATOM 0 H SER A 105 16.490 9.580 1.351 1.00 0.00 H new ATOM 0 HA SER A 105 17.705 11.121 -0.860 1.00 0.00 H new ATOM 0 HB2 SER A 105 15.233 11.341 -0.512 1.00 0.00 H new ATOM 0 HB3 SER A 105 15.522 11.875 1.132 1.00 0.00 H new ATOM 0 HG SER A 105 15.258 13.652 -0.334 1.00 0.00 H new ATOM 1580 N GLY A 106 19.510 11.865 0.693 1.00 0.00 N ATOM 1581 CA GLY A 106 20.520 12.487 1.529 1.00 0.00 C ATOM 1582 C GLY A 106 19.969 13.642 2.342 1.00 0.00 C ATOM 1583 O GLY A 106 19.082 14.373 1.899 1.00 0.00 O ATOM 0 H GLY A 106 19.851 11.517 -0.203 1.00 0.00 H new ATOM 0 HA2 GLY A 106 20.940 11.740 2.203 1.00 0.00 H new ATOM 0 HA3 GLY A 106 21.336 12.845 0.902 1.00 0.00 H new ATOM 1587 N PRO A 107 20.498 13.818 3.561 1.00 0.00 N ATOM 1588 CA PRO A 107 20.068 14.890 4.464 1.00 0.00 C ATOM 1589 C PRO A 107 20.495 16.269 3.972 1.00 0.00 C ATOM 1590 O PRO A 107 21.252 16.387 3.008 1.00 0.00 O ATOM 1591 CB PRO A 107 20.772 14.550 5.780 1.00 0.00 C ATOM 1592 CG PRO A 107 21.967 13.758 5.376 1.00 0.00 C ATOM 1593 CD PRO A 107 21.558 12.985 4.153 1.00 0.00 C ATOM 0 HA PRO A 107 18.982 14.942 4.547 1.00 0.00 H new ATOM 0 HB2 PRO A 107 21.059 15.452 6.320 1.00 0.00 H new ATOM 0 HB3 PRO A 107 20.122 13.976 6.440 1.00 0.00 H new ATOM 0 HG2 PRO A 107 22.813 14.411 5.160 1.00 0.00 H new ATOM 0 HG3 PRO A 107 22.279 13.086 6.176 1.00 0.00 H new ATOM 0 HD2 PRO A 107 22.393 12.849 3.466 1.00 0.00 H new ATOM 0 HD3 PRO A 107 21.192 11.991 4.410 1.00 0.00 H new ATOM 1601 N SER A 108 20.006 17.308 4.640 1.00 0.00 N ATOM 1602 CA SER A 108 20.335 18.679 4.268 1.00 0.00 C ATOM 1603 C SER A 108 19.866 19.660 5.338 1.00 0.00 C ATOM 1604 O SER A 108 18.858 19.431 6.007 1.00 0.00 O ATOM 1605 CB SER A 108 19.697 19.032 2.922 1.00 0.00 C ATOM 1606 OG SER A 108 20.506 18.594 1.844 1.00 0.00 O ATOM 0 H SER A 108 19.381 17.227 5.442 1.00 0.00 H new ATOM 0 HA SER A 108 21.419 18.755 4.180 1.00 0.00 H new ATOM 0 HB2 SER A 108 18.711 18.572 2.851 1.00 0.00 H new ATOM 0 HB3 SER A 108 19.551 20.110 2.857 1.00 0.00 H new ATOM 0 HG SER A 108 21.128 17.906 2.160 1.00 0.00 H new ATOM 1612 N SER A 109 20.605 20.754 5.494 1.00 0.00 N ATOM 1613 CA SER A 109 20.268 21.769 6.486 1.00 0.00 C ATOM 1614 C SER A 109 18.817 22.214 6.336 1.00 0.00 C ATOM 1615 O SER A 109 18.333 22.430 5.226 1.00 0.00 O ATOM 1616 CB SER A 109 21.200 22.974 6.349 1.00 0.00 C ATOM 1617 OG SER A 109 22.543 22.615 6.625 1.00 0.00 O ATOM 0 H SER A 109 21.441 20.960 4.947 1.00 0.00 H new ATOM 0 HA SER A 109 20.395 21.331 7.476 1.00 0.00 H new ATOM 0 HB2 SER A 109 21.129 23.380 5.340 1.00 0.00 H new ATOM 0 HB3 SER A 109 20.883 23.762 7.032 1.00 0.00 H new ATOM 0 HG SER A 109 23.118 23.402 6.529 1.00 0.00 H new ATOM 1623 N GLY A 110 18.126 22.350 7.464 1.00 0.00 N ATOM 1624 CA GLY A 110 16.737 22.768 7.438 1.00 0.00 C ATOM 1625 C GLY A 110 16.181 23.018 8.826 1.00 0.00 C ATOM 1626 O GLY A 110 16.076 24.164 9.263 1.00 0.00 O ATOM 0 H GLY A 110 18.504 22.178 8.396 1.00 0.00 H new ATOM 0 HA2 GLY A 110 16.645 23.677 6.844 1.00 0.00 H new ATOM 0 HA3 GLY A 110 16.140 22.002 6.943 1.00 0.00 H new TER 1630 GLY A 110