USER MOD reduce.3.24.130724 H: found=0, std=0, add=527, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 527 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 62 ASN : amide:sc= 0.502 K(o=0.65,f=-0.37) USER MOD Set 1.2: A 69 ASN : amide:sc= 0.151 K(o=0.65,f=-0.99) USER MOD Set 2.1: A 38 GLN :FLIP amide:sc= -0.854 F(o=-3,f=-1.8) USER MOD Set 2.2: A 61 LYS NZ :NH3+ -161:sc= -0.982 (180deg=-1.51) USER MOD Set 3.1: A 14 CYS SG : rot -123:sc= -17.4! USER MOD Set 3.2: A 39 CYS SG : rot -74:sc= -19.9! USER MOD Set 3.3: A 60 CYS SG : rot -84:sc= -13! USER MOD Set 3.4: A 64 CYS SG : rot -60:sc= -20! USER MOD Single : A 1 ASP N :NH3+ 156:sc= -1.28 (180deg=-1.73) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.21) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot -15:sc= -2.91! USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 150:sc= -0.787 USER MOD Single : A 32 TYR OH : rot -78:sc= 0.668 USER MOD Single : A 33 ASN : amide:sc= -0.0404 K(o=-0.04,f=-1.5) USER MOD Single : A 34 ASN : amide:sc= -0.192 X(o=-0.19,f=-0.067) USER MOD Single : A 35 GLN : amide:sc=-0.00463 X(o=-0.0046,f=-0.011) USER MOD Single : A 36 THR OG1 : rot 130:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 180:sc= -0.213 USER MOD Single : A 50 ASN : amide:sc= -6.04! C(o=-6!,f=-12!) USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -2.29 K(o=-2.3,f=-6.8!) USER MOD Single : A 53 ASN : amide:sc= -2.99! C(o=-3!,f=-5.8!) USER MOD Single : A 56 THR OG1 : rot 170:sc= -1.38! USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 1.345 0.000 0.000 1.00 1.00 N ATOM 2 CA ASP A 1 2.115 0.000 -1.232 1.00 1.00 C ATOM 3 C ASP A 1 2.764 -1.373 -1.423 1.00 1.00 C ATOM 4 O ASP A 1 2.779 -1.865 -2.561 1.00 1.00 O ATOM 5 CB ASP A 1 3.230 1.047 -1.185 1.00 1.00 C ATOM 6 CG ASP A 1 3.646 1.486 0.220 1.00 1.00 C ATOM 7 OD1 ASP A 1 2.862 2.345 0.778 1.00 1.00 O ATOM 8 OD2 ASP A 1 4.668 1.030 0.755 1.00 1.00 O ATOM 0 H1 ASP A 1 1.246 0.975 0.348 1.00 1.00 H new ATOM 0 H2 ASP A 1 0.402 -0.401 -0.180 1.00 1.00 H new ATOM 0 H3 ASP A 1 1.835 -0.575 0.715 1.00 1.00 H new ATOM 0 HA ASP A 1 1.437 0.232 -2.053 1.00 1.00 H new ATOM 0 HB2 ASP A 1 4.105 0.648 -1.698 1.00 1.00 H new ATOM 0 HB3 ASP A 1 2.906 1.926 -1.743 1.00 1.00 H new ATOM 13 N TYR A 2 3.278 -1.953 -0.324 1.00 1.00 N ATOM 14 CA TYR A 2 3.912 -3.256 -0.439 1.00 1.00 C ATOM 15 C TYR A 2 2.838 -4.345 -0.416 1.00 1.00 C ATOM 16 O TYR A 2 2.845 -5.150 0.527 1.00 1.00 O ATOM 17 CB TYR A 2 4.939 -3.438 0.694 1.00 1.00 C ATOM 18 CG TYR A 2 6.170 -4.245 0.307 1.00 1.00 C ATOM 19 CD1 TYR A 2 6.154 -5.655 0.416 1.00 1.00 C ATOM 20 CD2 TYR A 2 7.332 -3.595 -0.168 1.00 1.00 C ATOM 21 CE1 TYR A 2 7.292 -6.408 0.056 1.00 1.00 C ATOM 22 CE2 TYR A 2 8.470 -4.347 -0.528 1.00 1.00 C ATOM 23 CZ TYR A 2 8.451 -5.755 -0.416 1.00 1.00 C ATOM 24 OH TYR A 2 9.550 -6.488 -0.763 1.00 1.00 O ATOM 0 H TYR A 2 3.264 -1.551 0.614 1.00 1.00 H new ATOM 0 HA TYR A 2 4.449 -3.332 -1.385 1.00 1.00 H new ATOM 0 HB2 TYR A 2 5.259 -2.455 1.039 1.00 1.00 H new ATOM 0 HB3 TYR A 2 4.449 -3.927 1.536 1.00 1.00 H new ATOM 0 HD1 TYR A 2 5.268 -6.157 0.776 1.00 1.00 H new ATOM 0 HD2 TYR A 2 7.349 -2.519 -0.256 1.00 1.00 H new ATOM 0 HE1 TYR A 2 7.276 -7.484 0.142 1.00 1.00 H new ATOM 0 HE2 TYR A 2 9.356 -3.846 -0.889 1.00 1.00 H new ATOM 0 HH TYR A 2 10.261 -5.887 -1.069 1.00 1.00 H new ATOM 34 N LYS A 3 1.948 -4.346 -1.424 1.00 1.00 N ATOM 35 CA LYS A 3 0.876 -5.323 -1.504 1.00 1.00 C ATOM 36 C LYS A 3 0.075 -5.092 -2.787 1.00 1.00 C ATOM 37 O LYS A 3 -0.249 -6.077 -3.466 1.00 1.00 O ATOM 38 CB LYS A 3 0.025 -5.289 -0.233 1.00 1.00 C ATOM 39 CG LYS A 3 -0.447 -3.866 0.073 1.00 1.00 C ATOM 40 CD LYS A 3 -0.576 -3.643 1.581 1.00 1.00 C ATOM 41 CE LYS A 3 0.190 -2.393 2.017 1.00 1.00 C ATOM 42 NZ LYS A 3 -0.163 -2.028 3.399 1.00 1.00 N ATOM 0 H LYS A 3 1.960 -3.674 -2.191 1.00 1.00 H new ATOM 0 HA LYS A 3 1.284 -6.332 -1.560 1.00 1.00 H new ATOM 0 HB2 LYS A 3 -0.838 -5.945 -0.351 1.00 1.00 H new ATOM 0 HB3 LYS A 3 0.604 -5.672 0.607 1.00 1.00 H new ATOM 0 HG2 LYS A 3 0.258 -3.147 -0.345 1.00 1.00 H new ATOM 0 HG3 LYS A 3 -1.408 -3.687 -0.408 1.00 1.00 H new ATOM 0 HD2 LYS A 3 -1.628 -3.541 1.849 1.00 1.00 H new ATOM 0 HD3 LYS A 3 -0.194 -4.513 2.115 1.00 1.00 H new ATOM 0 HE2 LYS A 3 1.263 -2.573 1.945 1.00 1.00 H new ATOM 0 HE3 LYS A 3 -0.040 -1.566 1.346 1.00 1.00 H new ATOM 0 HZ1 LYS A 3 0.366 -1.177 3.679 1.00 1.00 H new ATOM 0 HZ2 LYS A 3 -1.183 -1.836 3.458 1.00 1.00 H new ATOM 0 HZ3 LYS A 3 0.079 -2.812 4.038 1.00 1.00 H new ATOM 56 N ASP A 4 -0.223 -3.815 -3.088 1.00 1.00 N ATOM 57 CA ASP A 4 -0.979 -3.462 -4.278 1.00 1.00 C ATOM 58 C ASP A 4 -0.173 -2.462 -5.110 1.00 1.00 C ATOM 59 O ASP A 4 0.565 -1.661 -4.518 1.00 1.00 O ATOM 60 CB ASP A 4 -2.310 -2.805 -3.910 1.00 1.00 C ATOM 61 CG ASP A 4 -3.210 -2.457 -5.097 1.00 1.00 C ATOM 62 OD1 ASP A 4 -2.756 -1.871 -6.092 1.00 1.00 O ATOM 63 OD2 ASP A 4 -4.443 -2.816 -4.972 1.00 1.00 O ATOM 0 H ASP A 4 0.054 -3.018 -2.515 1.00 1.00 H new ATOM 0 HA ASP A 4 -1.171 -4.376 -4.839 1.00 1.00 H new ATOM 0 HB2 ASP A 4 -2.856 -3.473 -3.243 1.00 1.00 H new ATOM 0 HB3 ASP A 4 -2.105 -1.893 -3.349 1.00 1.00 H new ATOM 68 N ASP A 5 -0.326 -2.528 -6.445 1.00 1.00 N ATOM 69 CA ASP A 5 0.382 -1.635 -7.346 1.00 1.00 C ATOM 70 C ASP A 5 1.686 -2.299 -7.795 1.00 1.00 C ATOM 71 O ASP A 5 2.172 -1.966 -8.886 1.00 1.00 O ATOM 72 CB ASP A 5 0.737 -0.319 -6.652 1.00 1.00 C ATOM 73 CG ASP A 5 0.960 0.868 -7.591 1.00 1.00 C ATOM 74 OD1 ASP A 5 1.328 0.695 -8.763 1.00 1.00 O ATOM 75 OD2 ASP A 5 0.737 2.027 -7.069 1.00 1.00 O ATOM 0 H ASP A 5 -0.938 -3.196 -6.913 1.00 1.00 H new ATOM 0 HA ASP A 5 -0.268 -1.430 -8.197 1.00 1.00 H new ATOM 0 HB2 ASP A 5 -0.062 -0.066 -5.955 1.00 1.00 H new ATOM 0 HB3 ASP A 5 1.640 -0.470 -6.061 1.00 1.00 H new ATOM 80 N ASP A 6 2.216 -3.209 -6.959 1.00 1.00 N ATOM 81 CA ASP A 6 3.451 -3.911 -7.268 1.00 1.00 C ATOM 82 C ASP A 6 3.293 -4.649 -8.599 1.00 1.00 C ATOM 83 O ASP A 6 3.893 -4.210 -9.591 1.00 1.00 O ATOM 84 CB ASP A 6 3.780 -4.945 -6.190 1.00 1.00 C ATOM 85 CG ASP A 6 4.734 -6.057 -6.631 1.00 1.00 C ATOM 86 OD1 ASP A 6 5.576 -5.721 -7.549 1.00 1.00 O ATOM 87 OD2 ASP A 6 4.677 -7.187 -6.123 1.00 1.00 O ATOM 0 H ASP A 6 1.799 -3.468 -6.065 1.00 1.00 H new ATOM 0 HA ASP A 6 4.254 -3.176 -7.320 1.00 1.00 H new ATOM 0 HB2 ASP A 6 4.217 -4.430 -5.335 1.00 1.00 H new ATOM 0 HB3 ASP A 6 2.850 -5.399 -5.847 1.00 1.00 H new ATOM 92 N ASP A 7 2.503 -5.737 -8.594 1.00 1.00 N ATOM 93 CA ASP A 7 2.272 -6.526 -9.793 1.00 1.00 C ATOM 94 C ASP A 7 1.222 -7.599 -9.497 1.00 1.00 C ATOM 95 O ASP A 7 1.080 -7.978 -8.325 1.00 1.00 O ATOM 96 CB ASP A 7 3.553 -7.230 -10.245 1.00 1.00 C ATOM 97 CG ASP A 7 4.355 -6.486 -11.315 1.00 1.00 C ATOM 98 OD1 ASP A 7 3.786 -5.874 -12.230 1.00 1.00 O ATOM 99 OD2 ASP A 7 5.636 -6.555 -11.181 1.00 1.00 O ATOM 0 H ASP A 7 2.018 -6.082 -7.766 1.00 1.00 H new ATOM 0 HA ASP A 7 1.934 -5.852 -10.580 1.00 1.00 H new ATOM 0 HB2 ASP A 7 4.191 -7.384 -9.375 1.00 1.00 H new ATOM 0 HB3 ASP A 7 3.292 -8.217 -10.628 1.00 1.00 H new ATOM 104 N LYS A 8 0.518 -8.059 -10.547 1.00 1.00 N ATOM 105 CA LYS A 8 -0.507 -9.077 -10.400 1.00 1.00 C ATOM 106 C LYS A 8 -0.047 -10.362 -11.092 1.00 1.00 C ATOM 107 O LYS A 8 -0.908 -11.125 -11.553 1.00 1.00 O ATOM 108 CB LYS A 8 -1.855 -8.557 -10.905 1.00 1.00 C ATOM 109 CG LYS A 8 -2.435 -7.517 -9.944 1.00 1.00 C ATOM 110 CD LYS A 8 -3.319 -8.182 -8.886 1.00 1.00 C ATOM 111 CE LYS A 8 -4.794 -8.117 -9.285 1.00 1.00 C ATOM 112 NZ LYS A 8 -5.131 -9.221 -10.198 1.00 1.00 N ATOM 0 H LYS A 8 0.650 -7.733 -11.504 1.00 1.00 H new ATOM 0 HA LYS A 8 -0.657 -9.317 -9.347 1.00 1.00 H new ATOM 0 HB2 LYS A 8 -1.731 -8.115 -11.894 1.00 1.00 H new ATOM 0 HB3 LYS A 8 -2.553 -9.388 -11.012 1.00 1.00 H new ATOM 0 HG2 LYS A 8 -1.625 -6.974 -9.457 1.00 1.00 H new ATOM 0 HG3 LYS A 8 -3.018 -6.785 -10.503 1.00 1.00 H new ATOM 0 HD2 LYS A 8 -3.019 -9.222 -8.757 1.00 1.00 H new ATOM 0 HD3 LYS A 8 -3.176 -7.688 -7.925 1.00 1.00 H new ATOM 0 HE2 LYS A 8 -5.420 -8.170 -8.394 1.00 1.00 H new ATOM 0 HE3 LYS A 8 -5.005 -7.162 -9.766 1.00 1.00 H new ATOM 0 HZ1 LYS A 8 -6.163 -9.275 -10.311 1.00 1.00 H new ATOM 0 HZ2 LYS A 8 -4.689 -9.053 -11.124 1.00 1.00 H new ATOM 0 HZ3 LYS A 8 -4.779 -10.117 -9.804 1.00 1.00 H new ATOM 126 N LEU A 9 1.281 -10.573 -11.149 1.00 1.00 N ATOM 127 CA LEU A 9 1.847 -11.754 -11.778 1.00 1.00 C ATOM 128 C LEU A 9 0.963 -12.173 -12.955 1.00 1.00 C ATOM 129 O LEU A 9 0.808 -13.383 -13.174 1.00 1.00 O ATOM 130 CB LEU A 9 2.060 -12.861 -10.744 1.00 1.00 C ATOM 131 CG LEU A 9 0.812 -13.326 -9.991 1.00 1.00 C ATOM 132 CD1 LEU A 9 0.367 -14.710 -10.470 1.00 1.00 C ATOM 133 CD2 LEU A 9 1.038 -13.288 -8.479 1.00 1.00 C ATOM 0 H LEU A 9 1.974 -9.932 -10.762 1.00 1.00 H new ATOM 0 HA LEU A 9 2.835 -11.534 -12.183 1.00 1.00 H new ATOM 0 HB2 LEU A 9 2.497 -13.722 -11.249 1.00 1.00 H new ATOM 0 HB3 LEU A 9 2.792 -12.513 -10.015 1.00 1.00 H new ATOM 0 HG LEU A 9 0.001 -12.632 -10.212 1.00 1.00 H new ATOM 0 HD11 LEU A 9 -0.522 -15.017 -9.919 1.00 1.00 H new ATOM 0 HD12 LEU A 9 0.138 -14.670 -11.535 1.00 1.00 H new ATOM 0 HD13 LEU A 9 1.167 -15.429 -10.298 1.00 1.00 H new ATOM 0 HD21 LEU A 9 0.136 -13.623 -7.968 1.00 1.00 H new ATOM 0 HD22 LEU A 9 1.868 -13.945 -8.219 1.00 1.00 H new ATOM 0 HD23 LEU A 9 1.272 -12.269 -8.172 1.00 1.00 H new ATOM 145 N LYS A 10 0.409 -11.181 -13.675 1.00 1.00 N ATOM 146 CA LYS A 10 -0.450 -11.446 -14.817 1.00 1.00 C ATOM 147 C LYS A 10 -0.025 -10.556 -15.987 1.00 1.00 C ATOM 148 O LYS A 10 0.601 -9.516 -15.739 1.00 1.00 O ATOM 149 CB LYS A 10 -1.921 -11.288 -14.427 1.00 1.00 C ATOM 150 CG LYS A 10 -2.619 -12.648 -14.356 1.00 1.00 C ATOM 151 CD LYS A 10 -4.056 -12.554 -14.871 1.00 1.00 C ATOM 152 CE LYS A 10 -5.060 -12.787 -13.741 1.00 1.00 C ATOM 153 NZ LYS A 10 -5.655 -11.512 -13.308 1.00 1.00 N ATOM 0 H LYS A 10 0.548 -10.190 -13.476 1.00 1.00 H new ATOM 0 HA LYS A 10 -0.340 -12.479 -15.146 1.00 1.00 H new ATOM 0 HB2 LYS A 10 -1.993 -10.787 -13.461 1.00 1.00 H new ATOM 0 HB3 LYS A 10 -2.427 -10.653 -15.154 1.00 1.00 H new ATOM 0 HG2 LYS A 10 -2.064 -13.377 -14.947 1.00 1.00 H new ATOM 0 HG3 LYS A 10 -2.620 -13.007 -13.327 1.00 1.00 H new ATOM 0 HD2 LYS A 10 -4.224 -11.572 -15.314 1.00 1.00 H new ATOM 0 HD3 LYS A 10 -4.213 -13.291 -15.659 1.00 1.00 H new ATOM 0 HE2 LYS A 10 -5.844 -13.465 -14.078 1.00 1.00 H new ATOM 0 HE3 LYS A 10 -4.563 -13.268 -12.898 1.00 1.00 H new ATOM 0 HZ1 LYS A 10 -6.334 -11.689 -12.540 1.00 1.00 H new ATOM 0 HZ2 LYS A 10 -4.905 -10.877 -12.967 1.00 1.00 H new ATOM 0 HZ3 LYS A 10 -6.147 -11.068 -14.110 1.00 1.00 H new ATOM 167 N PRO A 11 -0.368 -10.976 -17.218 1.00 1.00 N ATOM 168 CA PRO A 11 -0.041 -10.249 -18.433 1.00 1.00 C ATOM 169 C PRO A 11 -0.954 -9.035 -18.607 1.00 1.00 C ATOM 170 O PRO A 11 -2.113 -9.221 -19.006 1.00 1.00 O ATOM 171 CB PRO A 11 -0.187 -11.268 -19.552 1.00 1.00 C ATOM 172 CG PRO A 11 -1.035 -12.394 -18.982 1.00 1.00 C ATOM 173 CD PRO A 11 -1.087 -12.220 -17.473 1.00 1.00 C ATOM 0 HA PRO A 11 0.967 -9.836 -18.418 1.00 1.00 H new ATOM 0 HB2 PRO A 11 -0.664 -10.823 -20.425 1.00 1.00 H new ATOM 0 HB3 PRO A 11 0.787 -11.637 -19.874 1.00 1.00 H new ATOM 0 HG2 PRO A 11 -2.040 -12.367 -19.404 1.00 1.00 H new ATOM 0 HG3 PRO A 11 -0.607 -13.363 -19.240 1.00 1.00 H new ATOM 0 HD2 PRO A 11 -2.115 -12.163 -17.116 1.00 1.00 H new ATOM 0 HD3 PRO A 11 -0.618 -13.060 -16.961 1.00 1.00 H new ATOM 181 N ASP A 12 -0.424 -7.835 -18.310 1.00 1.00 N ATOM 182 CA ASP A 12 -1.186 -6.604 -18.433 1.00 1.00 C ATOM 183 C ASP A 12 -1.611 -6.416 -19.891 1.00 1.00 C ATOM 184 O ASP A 12 -2.696 -5.862 -20.123 1.00 1.00 O ATOM 185 CB ASP A 12 -0.346 -5.392 -18.026 1.00 1.00 C ATOM 186 CG ASP A 12 0.344 -5.512 -16.666 1.00 1.00 C ATOM 187 OD1 ASP A 12 0.292 -6.566 -16.014 1.00 1.00 O ATOM 188 OD2 ASP A 12 0.964 -4.451 -16.273 1.00 1.00 O ATOM 0 H ASP A 12 0.533 -7.704 -17.983 1.00 1.00 H new ATOM 0 HA ASP A 12 -2.053 -6.678 -17.777 1.00 1.00 H new ATOM 0 HB2 ASP A 12 0.414 -5.223 -18.789 1.00 1.00 H new ATOM 0 HB3 ASP A 12 -0.988 -4.511 -18.015 1.00 1.00 H new ATOM 193 N PHE A 13 -0.762 -6.873 -20.829 1.00 1.00 N ATOM 194 CA PHE A 13 -1.048 -6.756 -22.249 1.00 1.00 C ATOM 195 C PHE A 13 -2.417 -7.374 -22.542 1.00 1.00 C ATOM 196 O PHE A 13 -3.083 -6.914 -23.481 1.00 1.00 O ATOM 197 CB PHE A 13 0.057 -7.471 -23.050 1.00 1.00 C ATOM 198 CG PHE A 13 0.025 -8.991 -22.958 1.00 1.00 C ATOM 199 CD1 PHE A 13 -1.004 -9.725 -23.592 1.00 1.00 C ATOM 200 CD2 PHE A 13 1.025 -9.678 -22.230 1.00 1.00 C ATOM 201 CE1 PHE A 13 -1.032 -11.133 -23.501 1.00 1.00 C ATOM 202 CE2 PHE A 13 0.996 -11.086 -22.139 1.00 1.00 C ATOM 203 CZ PHE A 13 -0.032 -11.813 -22.775 1.00 1.00 C ATOM 0 H PHE A 13 0.127 -7.326 -20.617 1.00 1.00 H new ATOM 0 HA PHE A 13 -1.069 -5.707 -22.543 1.00 1.00 H new ATOM 0 HB2 PHE A 13 -0.027 -7.182 -24.098 1.00 1.00 H new ATOM 0 HB3 PHE A 13 1.027 -7.119 -22.699 1.00 1.00 H new ATOM 0 HD1 PHE A 13 -1.771 -9.206 -24.148 1.00 1.00 H new ATOM 0 HD2 PHE A 13 1.813 -9.123 -21.742 1.00 1.00 H new ATOM 0 HE1 PHE A 13 -1.819 -11.690 -23.987 1.00 1.00 H new ATOM 0 HE2 PHE A 13 1.761 -11.607 -21.582 1.00 1.00 H new ATOM 0 HZ PHE A 13 -0.053 -12.891 -22.706 1.00 1.00 H new ATOM 213 N CYS A 14 -2.804 -8.386 -21.745 1.00 1.00 N ATOM 214 CA CYS A 14 -4.081 -9.058 -21.918 1.00 1.00 C ATOM 215 C CYS A 14 -5.214 -8.068 -21.639 1.00 1.00 C ATOM 216 O CYS A 14 -6.225 -8.112 -22.355 1.00 1.00 O ATOM 217 CB CYS A 14 -4.176 -10.300 -21.031 1.00 1.00 C ATOM 218 SG CYS A 14 -3.210 -11.726 -21.610 1.00 1.00 S ATOM 0 H CYS A 14 -2.241 -8.749 -20.976 1.00 1.00 H new ATOM 0 HA CYS A 14 -4.170 -9.405 -22.947 1.00 1.00 H new ATOM 0 HB2 CYS A 14 -3.844 -10.038 -20.026 1.00 1.00 H new ATOM 0 HB3 CYS A 14 -5.222 -10.595 -20.954 1.00 1.00 H new ATOM 0 HG CYS A 14 -3.998 -12.747 -21.774 1.00 1.00 H new ATOM 224 N PHE A 15 -5.027 -7.211 -20.619 1.00 1.00 N ATOM 225 CA PHE A 15 -6.027 -6.223 -20.251 1.00 1.00 C ATOM 226 C PHE A 15 -5.970 -5.055 -21.239 1.00 1.00 C ATOM 227 O PHE A 15 -6.786 -4.131 -21.106 1.00 1.00 O ATOM 228 CB PHE A 15 -5.755 -5.737 -18.814 1.00 1.00 C ATOM 229 CG PHE A 15 -5.522 -6.851 -17.801 1.00 1.00 C ATOM 230 CD1 PHE A 15 -6.409 -7.950 -17.731 1.00 1.00 C ATOM 231 CD2 PHE A 15 -4.418 -6.786 -16.920 1.00 1.00 C ATOM 232 CE1 PHE A 15 -6.191 -8.977 -16.788 1.00 1.00 C ATOM 233 CE2 PHE A 15 -4.201 -7.814 -15.978 1.00 1.00 C ATOM 234 CZ PHE A 15 -5.088 -8.910 -15.912 1.00 1.00 C ATOM 0 H PHE A 15 -4.187 -7.192 -20.041 1.00 1.00 H new ATOM 0 HA PHE A 15 -7.023 -6.663 -20.288 1.00 1.00 H new ATOM 0 HB2 PHE A 15 -4.882 -5.085 -18.824 1.00 1.00 H new ATOM 0 HB3 PHE A 15 -6.600 -5.133 -18.483 1.00 1.00 H new ATOM 0 HD1 PHE A 15 -7.255 -8.004 -18.400 1.00 1.00 H new ATOM 0 HD2 PHE A 15 -3.739 -5.947 -16.968 1.00 1.00 H new ATOM 0 HE1 PHE A 15 -6.870 -9.815 -16.737 1.00 1.00 H new ATOM 0 HE2 PHE A 15 -3.356 -7.762 -15.307 1.00 1.00 H new ATOM 0 HZ PHE A 15 -4.922 -9.697 -15.191 1.00 1.00 H new ATOM 244 N LEU A 16 -5.025 -5.119 -22.193 1.00 1.00 N ATOM 245 CA LEU A 16 -4.866 -4.074 -23.191 1.00 1.00 C ATOM 246 C LEU A 16 -5.925 -4.252 -24.281 1.00 1.00 C ATOM 247 O LEU A 16 -6.262 -5.403 -24.594 1.00 1.00 O ATOM 248 CB LEU A 16 -3.432 -4.056 -23.724 1.00 1.00 C ATOM 249 CG LEU A 16 -2.775 -2.678 -23.831 1.00 1.00 C ATOM 250 CD1 LEU A 16 -2.145 -2.266 -22.499 1.00 1.00 C ATOM 251 CD2 LEU A 16 -1.763 -2.642 -24.979 1.00 1.00 C ATOM 0 H LEU A 16 -4.363 -5.890 -22.285 1.00 1.00 H new ATOM 0 HA LEU A 16 -5.028 -3.093 -22.745 1.00 1.00 H new ATOM 0 HB2 LEU A 16 -2.817 -4.681 -23.077 1.00 1.00 H new ATOM 0 HB3 LEU A 16 -3.426 -4.517 -24.712 1.00 1.00 H new ATOM 0 HG LEU A 16 -3.550 -1.946 -24.060 1.00 1.00 H new ATOM 0 HD11 LEU A 16 -1.685 -1.283 -22.603 1.00 1.00 H new ATOM 0 HD12 LEU A 16 -2.915 -2.227 -21.729 1.00 1.00 H new ATOM 0 HD13 LEU A 16 -1.385 -2.994 -22.215 1.00 1.00 H new ATOM 0 HD21 LEU A 16 -1.310 -1.652 -25.034 1.00 1.00 H new ATOM 0 HD22 LEU A 16 -0.987 -3.387 -24.803 1.00 1.00 H new ATOM 0 HD23 LEU A 16 -2.270 -2.861 -25.918 1.00 1.00 H new ATOM 263 N GLU A 17 -6.420 -3.127 -24.828 1.00 1.00 N ATOM 264 CA GLU A 17 -7.430 -3.159 -25.872 1.00 1.00 C ATOM 265 C GLU A 17 -6.961 -4.077 -27.002 1.00 1.00 C ATOM 266 O GLU A 17 -5.810 -4.535 -26.950 1.00 1.00 O ATOM 267 CB GLU A 17 -7.739 -1.756 -26.398 1.00 1.00 C ATOM 268 CG GLU A 17 -7.830 -0.747 -25.251 1.00 1.00 C ATOM 269 CD GLU A 17 -8.731 0.431 -25.627 1.00 1.00 C ATOM 270 OE1 GLU A 17 -9.917 0.108 -26.017 1.00 1.00 O ATOM 271 OE2 GLU A 17 -8.300 1.591 -25.545 1.00 1.00 O ATOM 0 H GLU A 17 -6.129 -2.188 -24.556 1.00 1.00 H new ATOM 0 HA GLU A 17 -8.356 -3.551 -25.451 1.00 1.00 H new ATOM 0 HB2 GLU A 17 -6.962 -1.447 -27.098 1.00 1.00 H new ATOM 0 HB3 GLU A 17 -8.679 -1.770 -26.950 1.00 1.00 H new ATOM 0 HG2 GLU A 17 -8.221 -1.238 -24.360 1.00 1.00 H new ATOM 0 HG3 GLU A 17 -6.833 -0.382 -25.003 1.00 1.00 H new ATOM 278 N GLU A 18 -7.846 -4.325 -27.984 1.00 1.00 N ATOM 279 CA GLU A 18 -7.524 -5.181 -29.113 1.00 1.00 C ATOM 280 C GLU A 18 -6.753 -4.371 -30.157 1.00 1.00 C ATOM 281 O GLU A 18 -7.053 -3.178 -30.317 1.00 1.00 O ATOM 282 CB GLU A 18 -8.781 -5.805 -29.722 1.00 1.00 C ATOM 283 CG GLU A 18 -9.380 -4.895 -30.797 1.00 1.00 C ATOM 284 CD GLU A 18 -10.908 -4.974 -30.793 1.00 1.00 C ATOM 285 OE1 GLU A 18 -11.392 -6.168 -30.737 1.00 1.00 O ATOM 286 OE2 GLU A 18 -11.582 -3.935 -30.844 1.00 1.00 O ATOM 0 H GLU A 18 -8.789 -3.938 -28.008 1.00 1.00 H new ATOM 0 HA GLU A 18 -6.900 -6.003 -28.762 1.00 1.00 H new ATOM 0 HB2 GLU A 18 -8.536 -6.774 -30.156 1.00 1.00 H new ATOM 0 HB3 GLU A 18 -9.518 -5.983 -28.939 1.00 1.00 H new ATOM 0 HG2 GLU A 18 -9.065 -3.866 -30.624 1.00 1.00 H new ATOM 0 HG3 GLU A 18 -9.000 -5.184 -31.777 1.00 1.00 H new ATOM 293 N ASP A 19 -5.792 -5.022 -30.836 1.00 1.00 N ATOM 294 CA ASP A 19 -4.989 -4.367 -31.854 1.00 1.00 C ATOM 295 C ASP A 19 -4.767 -5.331 -33.021 1.00 1.00 C ATOM 296 O ASP A 19 -3.902 -6.212 -32.903 1.00 1.00 O ATOM 297 CB ASP A 19 -3.618 -3.969 -31.302 1.00 1.00 C ATOM 298 CG ASP A 19 -2.936 -2.814 -32.037 1.00 1.00 C ATOM 299 OD1 ASP A 19 -3.490 -2.247 -32.991 1.00 1.00 O ATOM 300 OD2 ASP A 19 -1.770 -2.494 -31.587 1.00 1.00 O ATOM 0 H ASP A 19 -5.561 -6.005 -30.689 1.00 1.00 H new ATOM 0 HA ASP A 19 -5.521 -3.473 -32.179 1.00 1.00 H new ATOM 0 HB2 ASP A 19 -3.731 -3.696 -30.253 1.00 1.00 H new ATOM 0 HB3 ASP A 19 -2.963 -4.839 -31.336 1.00 1.00 H new ATOM 305 N PRO A 20 -5.538 -5.148 -34.108 1.00 1.00 N ATOM 306 CA PRO A 20 -5.454 -5.975 -35.299 1.00 1.00 C ATOM 307 C PRO A 20 -4.188 -5.658 -36.098 1.00 1.00 C ATOM 308 O PRO A 20 -3.170 -6.332 -35.881 1.00 1.00 O ATOM 309 CB PRO A 20 -6.731 -5.685 -36.071 1.00 1.00 C ATOM 310 CG PRO A 20 -7.261 -4.371 -35.521 1.00 1.00 C ATOM 311 CD PRO A 20 -6.522 -4.075 -34.226 1.00 1.00 C ATOM 0 HA PRO A 20 -5.376 -7.037 -35.068 1.00 1.00 H new ATOM 0 HB2 PRO A 20 -6.532 -5.609 -37.140 1.00 1.00 H new ATOM 0 HB3 PRO A 20 -7.458 -6.486 -35.938 1.00 1.00 H new ATOM 0 HG2 PRO A 20 -7.108 -3.567 -36.240 1.00 1.00 H new ATOM 0 HG3 PRO A 20 -8.334 -4.438 -35.341 1.00 1.00 H new ATOM 0 HD2 PRO A 20 -6.040 -3.098 -34.259 1.00 1.00 H new ATOM 0 HD3 PRO A 20 -7.203 -4.066 -33.375 1.00 1.00 H new ATOM 319 N GLY A 21 -4.274 -4.656 -36.991 1.00 1.00 N ATOM 320 CA GLY A 21 -3.144 -4.256 -37.812 1.00 1.00 C ATOM 321 C GLY A 21 -3.583 -3.150 -38.773 1.00 1.00 C ATOM 322 O GLY A 21 -4.695 -3.245 -39.313 1.00 1.00 O ATOM 0 H GLY A 21 -5.122 -4.114 -37.154 1.00 1.00 H new ATOM 0 HA2 GLY A 21 -2.328 -3.903 -37.181 1.00 1.00 H new ATOM 0 HA3 GLY A 21 -2.766 -5.111 -38.372 1.00 1.00 H new ATOM 326 N ILE A 22 -2.717 -2.139 -38.963 1.00 1.00 N ATOM 327 CA ILE A 22 -3.013 -1.027 -39.850 1.00 1.00 C ATOM 328 C ILE A 22 -3.556 -1.568 -41.175 1.00 1.00 C ATOM 329 O ILE A 22 -4.313 -0.846 -41.840 1.00 1.00 O ATOM 330 CB ILE A 22 -1.787 -0.127 -40.010 1.00 1.00 C ATOM 331 CG1 ILE A 22 -1.084 0.086 -38.668 1.00 1.00 C ATOM 332 CG2 ILE A 22 -2.162 1.198 -40.677 1.00 1.00 C ATOM 333 CD1 ILE A 22 -0.297 1.398 -38.662 1.00 1.00 C ATOM 0 H ILE A 22 -1.806 -2.080 -38.507 1.00 1.00 H new ATOM 0 HA ILE A 22 -3.790 -0.394 -39.421 1.00 1.00 H new ATOM 0 HB ILE A 22 -1.079 -0.630 -40.668 1.00 1.00 H new ATOM 0 HG12 ILE A 22 -1.821 0.097 -37.865 1.00 1.00 H new ATOM 0 HG13 ILE A 22 -0.410 -0.747 -38.471 1.00 1.00 H new ATOM 0 HG21 ILE A 22 -1.272 1.819 -40.779 1.00 1.00 H new ATOM 0 HG22 ILE A 22 -2.583 1.003 -41.663 1.00 1.00 H new ATOM 0 HG23 ILE A 22 -2.899 1.718 -40.065 1.00 1.00 H new ATOM 0 HD11 ILE A 22 0.193 1.524 -37.696 1.00 1.00 H new ATOM 0 HD12 ILE A 22 0.456 1.374 -39.450 1.00 1.00 H new ATOM 0 HD13 ILE A 22 -0.978 2.231 -38.835 1.00 1.00 H new ATOM 345 N CYS A 23 -3.165 -2.806 -41.525 1.00 1.00 N ATOM 346 CA CYS A 23 -3.610 -3.434 -42.757 1.00 1.00 C ATOM 347 C CYS A 23 -5.057 -3.903 -42.593 1.00 1.00 C ATOM 348 O CYS A 23 -5.940 -3.046 -42.438 1.00 1.00 O ATOM 349 CB CYS A 23 -2.681 -4.581 -43.159 1.00 1.00 C ATOM 350 SG CYS A 23 -0.991 -4.076 -43.596 1.00 1.00 S ATOM 0 H CYS A 23 -2.540 -3.383 -40.963 1.00 1.00 H new ATOM 0 HA CYS A 23 -3.572 -2.705 -43.566 1.00 1.00 H new ATOM 0 HB2 CYS A 23 -2.631 -5.294 -42.336 1.00 1.00 H new ATOM 0 HB3 CYS A 23 -3.120 -5.104 -44.008 1.00 1.00 H new ATOM 356 N ARG A 24 -5.268 -5.231 -42.629 1.00 1.00 N ATOM 357 CA ARG A 24 -6.595 -5.804 -42.485 1.00 1.00 C ATOM 358 C ARG A 24 -6.473 -7.312 -42.258 1.00 1.00 C ATOM 359 O ARG A 24 -6.596 -7.746 -41.103 1.00 1.00 O ATOM 360 CB ARG A 24 -7.457 -5.550 -43.724 1.00 1.00 C ATOM 361 CG ARG A 24 -8.052 -4.141 -43.698 1.00 1.00 C ATOM 362 CD ARG A 24 -7.296 -3.208 -44.646 1.00 1.00 C ATOM 363 NE ARG A 24 -7.326 -1.823 -44.125 1.00 1.00 N ATOM 364 CZ ARG A 24 -8.421 -1.033 -44.137 1.00 1.00 C ATOM 365 NH1 ARG A 24 -9.563 -1.514 -44.648 1.00 1.00 N ATOM 366 NH2 ARG A 24 -8.367 0.212 -43.645 1.00 1.00 N ATOM 0 H ARG A 24 -4.526 -5.919 -42.758 1.00 1.00 H new ATOM 0 HA ARG A 24 -7.078 -5.327 -41.632 1.00 1.00 H new ATOM 0 HB2 ARG A 24 -6.854 -5.678 -44.623 1.00 1.00 H new ATOM 0 HB3 ARG A 24 -8.259 -6.287 -43.771 1.00 1.00 H new ATOM 0 HG2 ARG A 24 -9.103 -4.181 -43.983 1.00 1.00 H new ATOM 0 HG3 ARG A 24 -8.012 -3.744 -42.683 1.00 1.00 H new ATOM 0 HD2 ARG A 24 -6.264 -3.543 -44.753 1.00 1.00 H new ATOM 0 HD3 ARG A 24 -7.746 -3.242 -45.638 1.00 1.00 H new ATOM 0 HE ARG A 24 -6.466 -1.441 -43.732 1.00 1.00 H new ATOM 0 HH11 ARG A 24 -9.595 -2.463 -45.020 1.00 1.00 H new ATOM 0 HH12 ARG A 24 -10.400 -0.931 -44.665 1.00 1.00 H new ATOM 0 HH21 ARG A 24 -7.494 0.570 -43.257 1.00 1.00 H new ATOM 0 HH22 ARG A 24 -9.199 0.802 -43.658 1.00 1.00 H new ATOM 380 N GLY A 25 -6.238 -8.068 -43.345 1.00 1.00 N ATOM 381 CA GLY A 25 -6.101 -9.512 -43.264 1.00 1.00 C ATOM 382 C GLY A 25 -7.348 -10.102 -42.602 1.00 1.00 C ATOM 383 O GLY A 25 -8.272 -10.493 -43.330 1.00 1.00 O ATOM 0 H GLY A 25 -6.141 -7.691 -44.288 1.00 1.00 H new ATOM 0 HA2 GLY A 25 -5.971 -9.933 -44.261 1.00 1.00 H new ATOM 0 HA3 GLY A 25 -5.212 -9.773 -42.689 1.00 1.00 H new ATOM 387 N TYR A 26 -7.349 -10.153 -41.258 1.00 1.00 N ATOM 388 CA TYR A 26 -8.502 -10.706 -40.569 1.00 1.00 C ATOM 389 C TYR A 26 -8.389 -12.232 -40.537 1.00 1.00 C ATOM 390 O TYR A 26 -8.462 -12.844 -41.613 1.00 1.00 O ATOM 391 CB TYR A 26 -9.797 -10.242 -41.262 1.00 1.00 C ATOM 392 CG TYR A 26 -9.887 -8.740 -41.489 1.00 1.00 C ATOM 393 CD1 TYR A 26 -9.080 -7.860 -40.732 1.00 1.00 C ATOM 394 CD2 TYR A 26 -10.772 -8.214 -42.459 1.00 1.00 C ATOM 395 CE1 TYR A 26 -9.158 -6.467 -40.941 1.00 1.00 C ATOM 396 CE2 TYR A 26 -10.851 -6.821 -42.668 1.00 1.00 C ATOM 397 CZ TYR A 26 -10.044 -5.946 -41.908 1.00 1.00 C ATOM 398 OH TYR A 26 -10.117 -4.596 -42.106 1.00 1.00 O ATOM 0 H TYR A 26 -6.591 -9.829 -40.657 1.00 1.00 H new ATOM 0 HA TYR A 26 -8.533 -10.347 -39.540 1.00 1.00 H new ATOM 0 HB2 TYR A 26 -9.881 -10.748 -42.224 1.00 1.00 H new ATOM 0 HB3 TYR A 26 -10.649 -10.558 -40.660 1.00 1.00 H new ATOM 0 HD1 TYR A 26 -8.401 -8.256 -39.991 1.00 1.00 H new ATOM 0 HD2 TYR A 26 -11.390 -8.881 -43.042 1.00 1.00 H new ATOM 0 HE1 TYR A 26 -8.539 -5.799 -40.361 1.00 1.00 H new ATOM 0 HE2 TYR A 26 -11.529 -6.424 -43.409 1.00 1.00 H new ATOM 0 HH TYR A 26 -9.689 -4.132 -41.357 1.00 1.00 H new ATOM 408 N ILE A 27 -8.205 -12.805 -39.334 1.00 1.00 N ATOM 409 CA ILE A 27 -8.072 -14.243 -39.179 1.00 1.00 C ATOM 410 C ILE A 27 -8.888 -14.699 -37.967 1.00 1.00 C ATOM 411 O ILE A 27 -8.613 -15.791 -37.449 1.00 1.00 O ATOM 412 CB ILE A 27 -6.596 -14.641 -39.111 1.00 1.00 C ATOM 413 CG1 ILE A 27 -5.779 -13.896 -40.169 1.00 1.00 C ATOM 414 CG2 ILE A 27 -6.431 -16.157 -39.222 1.00 1.00 C ATOM 415 CD1 ILE A 27 -4.278 -14.060 -39.918 1.00 1.00 C ATOM 0 H ILE A 27 -8.147 -12.282 -38.460 1.00 1.00 H new ATOM 0 HA ILE A 27 -8.478 -14.759 -40.050 1.00 1.00 H new ATOM 0 HB ILE A 27 -6.207 -14.346 -38.136 1.00 1.00 H new ATOM 0 HG12 ILE A 27 -6.029 -14.275 -41.160 1.00 1.00 H new ATOM 0 HG13 ILE A 27 -6.040 -12.838 -40.157 1.00 1.00 H new ATOM 0 HG21 ILE A 27 -5.373 -16.413 -39.171 1.00 1.00 H new ATOM 0 HG22 ILE A 27 -6.961 -16.642 -38.402 1.00 1.00 H new ATOM 0 HG23 ILE A 27 -6.841 -16.499 -40.172 1.00 1.00 H new ATOM 0 HD11 ILE A 27 -3.720 -13.521 -40.684 1.00 1.00 H new ATOM 0 HD12 ILE A 27 -4.027 -13.658 -38.936 1.00 1.00 H new ATOM 0 HD13 ILE A 27 -4.016 -15.117 -39.955 1.00 1.00 H new ATOM 427 N THR A 28 -9.858 -13.868 -37.548 1.00 1.00 N ATOM 428 CA THR A 28 -10.703 -14.184 -36.409 1.00 1.00 C ATOM 429 C THR A 28 -9.823 -14.499 -35.198 1.00 1.00 C ATOM 430 O THR A 28 -9.818 -15.658 -34.758 1.00 1.00 O ATOM 431 CB THR A 28 -11.637 -15.332 -36.797 1.00 1.00 C ATOM 432 OG1 THR A 28 -12.560 -14.738 -37.705 1.00 1.00 O ATOM 433 CG2 THR A 28 -12.510 -15.797 -35.629 1.00 1.00 C ATOM 0 H THR A 28 -10.068 -12.973 -37.990 1.00 1.00 H new ATOM 0 HA THR A 28 -11.329 -13.337 -36.127 1.00 1.00 H new ATOM 0 HB THR A 28 -11.047 -16.171 -37.165 1.00 1.00 H new ATOM 0 HG1 THR A 28 -13.202 -15.414 -38.008 1.00 1.00 H new ATOM 0 HG21 THR A 28 -13.154 -16.613 -35.958 1.00 1.00 H new ATOM 0 HG22 THR A 28 -11.874 -16.143 -34.814 1.00 1.00 H new ATOM 0 HG23 THR A 28 -13.125 -14.967 -35.282 1.00 1.00 H new ATOM 441 N ARG A 29 -9.108 -13.479 -34.692 1.00 1.00 N ATOM 442 CA ARG A 29 -8.233 -13.646 -33.543 1.00 1.00 C ATOM 443 C ARG A 29 -9.015 -13.342 -32.264 1.00 1.00 C ATOM 444 O ARG A 29 -10.146 -12.846 -32.368 1.00 1.00 O ATOM 445 CB ARG A 29 -7.016 -12.722 -33.621 1.00 1.00 C ATOM 446 CG ARG A 29 -6.122 -13.093 -34.806 1.00 1.00 C ATOM 447 CD ARG A 29 -5.746 -14.576 -34.766 1.00 1.00 C ATOM 448 NE ARG A 29 -4.832 -14.897 -35.885 1.00 1.00 N ATOM 449 CZ ARG A 29 -3.503 -14.662 -35.868 1.00 1.00 C ATOM 450 NH1 ARG A 29 -2.956 -14.104 -34.779 1.00 1.00 N ATOM 451 NH2 ARG A 29 -2.742 -14.981 -36.924 1.00 1.00 N ATOM 0 H ARG A 29 -9.127 -12.532 -35.070 1.00 1.00 H new ATOM 0 HA ARG A 29 -7.876 -14.676 -33.537 1.00 1.00 H new ATOM 0 HB2 ARG A 29 -7.346 -11.688 -33.719 1.00 1.00 H new ATOM 0 HB3 ARG A 29 -6.445 -12.788 -32.695 1.00 1.00 H new ATOM 0 HG2 ARG A 29 -6.639 -12.870 -35.740 1.00 1.00 H new ATOM 0 HG3 ARG A 29 -5.218 -12.484 -34.789 1.00 1.00 H new ATOM 0 HD2 ARG A 29 -5.268 -14.813 -33.816 1.00 1.00 H new ATOM 0 HD3 ARG A 29 -6.645 -15.189 -34.832 1.00 1.00 H new ATOM 0 HE ARG A 29 -5.232 -15.323 -36.721 1.00 1.00 H new ATOM 0 HH11 ARG A 29 -3.542 -13.864 -33.980 1.00 1.00 H new ATOM 0 HH12 ARG A 29 -1.953 -13.920 -34.749 1.00 1.00 H new ATOM 0 HH21 ARG A 29 -3.166 -15.405 -37.749 1.00 1.00 H new ATOM 0 HH22 ARG A 29 -1.738 -14.800 -36.903 1.00 1.00 H new ATOM 465 N TYR A 30 -8.407 -13.640 -31.101 1.00 1.00 N ATOM 466 CA TYR A 30 -9.098 -13.379 -29.850 1.00 1.00 C ATOM 467 C TYR A 30 -8.236 -12.466 -28.976 1.00 1.00 C ATOM 468 O TYR A 30 -7.013 -12.453 -29.178 1.00 1.00 O ATOM 469 CB TYR A 30 -9.421 -14.710 -29.145 1.00 1.00 C ATOM 470 CG TYR A 30 -10.328 -15.641 -29.938 1.00 1.00 C ATOM 471 CD1 TYR A 30 -9.846 -16.293 -31.097 1.00 1.00 C ATOM 472 CD2 TYR A 30 -11.662 -15.852 -29.522 1.00 1.00 C ATOM 473 CE1 TYR A 30 -10.691 -17.153 -31.830 1.00 1.00 C ATOM 474 CE2 TYR A 30 -12.507 -16.712 -30.255 1.00 1.00 C ATOM 475 CZ TYR A 30 -12.023 -17.364 -31.410 1.00 1.00 C ATOM 476 OH TYR A 30 -12.844 -18.196 -32.116 1.00 1.00 O ATOM 0 H TYR A 30 -7.475 -14.046 -31.012 1.00 1.00 H new ATOM 0 HA TYR A 30 -10.043 -12.870 -30.041 1.00 1.00 H new ATOM 0 HB2 TYR A 30 -8.487 -15.229 -28.931 1.00 1.00 H new ATOM 0 HB3 TYR A 30 -9.893 -14.494 -28.186 1.00 1.00 H new ATOM 0 HD1 TYR A 30 -8.829 -16.132 -31.422 1.00 1.00 H new ATOM 0 HD2 TYR A 30 -12.036 -15.353 -28.640 1.00 1.00 H new ATOM 0 HE1 TYR A 30 -10.319 -17.651 -32.713 1.00 1.00 H new ATOM 0 HE2 TYR A 30 -13.525 -16.872 -29.932 1.00 1.00 H new ATOM 0 HH TYR A 30 -13.495 -18.606 -31.509 1.00 1.00 H new ATOM 486 N PHE A 31 -8.873 -11.728 -28.050 1.00 1.00 N ATOM 487 CA PHE A 31 -8.163 -10.817 -27.170 1.00 1.00 C ATOM 488 C PHE A 31 -8.948 -10.658 -25.866 1.00 1.00 C ATOM 489 O PHE A 31 -10.185 -10.610 -25.925 1.00 1.00 O ATOM 490 CB PHE A 31 -7.994 -9.457 -27.876 1.00 1.00 C ATOM 491 CG PHE A 31 -9.229 -8.567 -27.844 1.00 1.00 C ATOM 492 CD1 PHE A 31 -10.324 -8.844 -28.695 1.00 1.00 C ATOM 493 CD2 PHE A 31 -9.293 -7.465 -26.960 1.00 1.00 C ATOM 494 CE1 PHE A 31 -11.472 -8.024 -28.665 1.00 1.00 C ATOM 495 CE2 PHE A 31 -10.442 -6.645 -26.931 1.00 1.00 C ATOM 496 CZ PHE A 31 -11.531 -6.924 -27.783 1.00 1.00 C ATOM 0 H PHE A 31 -9.882 -11.753 -27.901 1.00 1.00 H new ATOM 0 HA PHE A 31 -7.175 -11.214 -26.935 1.00 1.00 H new ATOM 0 HB2 PHE A 31 -7.165 -8.922 -27.412 1.00 1.00 H new ATOM 0 HB3 PHE A 31 -7.717 -9.634 -28.915 1.00 1.00 H new ATOM 0 HD1 PHE A 31 -10.281 -9.686 -29.370 1.00 1.00 H new ATOM 0 HD2 PHE A 31 -8.461 -7.250 -26.306 1.00 1.00 H new ATOM 0 HE1 PHE A 31 -12.306 -8.238 -29.317 1.00 1.00 H new ATOM 0 HE2 PHE A 31 -10.487 -5.803 -26.256 1.00 1.00 H new ATOM 0 HZ PHE A 31 -12.409 -6.296 -27.760 1.00 1.00 H new ATOM 506 N TYR A 32 -8.226 -10.580 -24.734 1.00 1.00 N ATOM 507 CA TYR A 32 -8.912 -10.433 -23.462 1.00 1.00 C ATOM 508 C TYR A 32 -9.396 -8.989 -23.312 1.00 1.00 C ATOM 509 O TYR A 32 -8.546 -8.107 -23.116 1.00 1.00 O ATOM 510 CB TYR A 32 -7.975 -10.845 -22.312 1.00 1.00 C ATOM 511 CG TYR A 32 -8.680 -11.133 -20.994 1.00 1.00 C ATOM 512 CD1 TYR A 32 -9.208 -12.418 -20.731 1.00 1.00 C ATOM 513 CD2 TYR A 32 -8.816 -10.111 -20.027 1.00 1.00 C ATOM 514 CE1 TYR A 32 -9.864 -12.679 -19.509 1.00 1.00 C ATOM 515 CE2 TYR A 32 -9.472 -10.372 -18.806 1.00 1.00 C ATOM 516 CZ TYR A 32 -9.996 -11.656 -18.545 1.00 1.00 C ATOM 517 OH TYR A 32 -10.629 -11.905 -17.360 1.00 1.00 O ATOM 0 H TYR A 32 -7.208 -10.616 -24.683 1.00 1.00 H new ATOM 0 HA TYR A 32 -9.783 -11.088 -23.427 1.00 1.00 H new ATOM 0 HB2 TYR A 32 -7.419 -11.733 -22.614 1.00 1.00 H new ATOM 0 HB3 TYR A 32 -7.245 -10.051 -22.153 1.00 1.00 H new ATOM 0 HD1 TYR A 32 -9.109 -13.202 -21.467 1.00 1.00 H new ATOM 0 HD2 TYR A 32 -8.416 -9.127 -20.224 1.00 1.00 H new ATOM 0 HE1 TYR A 32 -10.265 -13.662 -19.311 1.00 1.00 H new ATOM 0 HE2 TYR A 32 -9.573 -9.588 -18.070 1.00 1.00 H new ATOM 0 HH TYR A 32 -11.599 -11.907 -17.501 1.00 1.00 H new ATOM 527 N ASN A 33 -10.720 -8.775 -23.415 1.00 1.00 N ATOM 528 CA ASN A 33 -11.296 -7.446 -23.301 1.00 1.00 C ATOM 529 C ASN A 33 -11.713 -7.198 -21.850 1.00 1.00 C ATOM 530 O ASN A 33 -12.577 -7.933 -21.350 1.00 1.00 O ATOM 531 CB ASN A 33 -12.541 -7.309 -24.180 1.00 1.00 C ATOM 532 CG ASN A 33 -12.783 -5.848 -24.564 1.00 1.00 C ATOM 533 OD1 ASN A 33 -12.158 -4.933 -24.053 1.00 1.00 O ATOM 534 ND2 ASN A 33 -13.723 -5.680 -25.490 1.00 1.00 N ATOM 0 H ASN A 33 -11.403 -9.515 -23.577 1.00 1.00 H new ATOM 0 HA ASN A 33 -10.545 -6.724 -23.623 1.00 1.00 H new ATOM 0 HB2 ASN A 33 -12.422 -7.911 -25.081 1.00 1.00 H new ATOM 0 HB3 ASN A 33 -13.410 -7.698 -23.649 1.00 1.00 H new ATOM 0 HD21 ASN A 33 -13.958 -4.742 -25.813 1.00 1.00 H new ATOM 0 HD22 ASN A 33 -14.208 -6.489 -25.877 1.00 1.00 H new ATOM 541 N ASN A 34 -11.101 -6.183 -21.213 1.00 1.00 N ATOM 542 CA ASN A 34 -11.406 -5.844 -19.834 1.00 1.00 C ATOM 543 C ASN A 34 -12.854 -5.359 -19.741 1.00 1.00 C ATOM 544 O ASN A 34 -13.460 -5.513 -18.671 1.00 1.00 O ATOM 545 CB ASN A 34 -10.498 -4.721 -19.329 1.00 1.00 C ATOM 546 CG ASN A 34 -10.977 -4.195 -17.975 1.00 1.00 C ATOM 547 OD1 ASN A 34 -10.719 -4.770 -16.930 1.00 1.00 O ATOM 548 ND2 ASN A 34 -11.688 -3.073 -18.051 1.00 1.00 N ATOM 0 H ASN A 34 -10.392 -5.589 -21.643 1.00 1.00 H new ATOM 0 HA ASN A 34 -11.250 -6.735 -19.225 1.00 1.00 H new ATOM 0 HB2 ASN A 34 -9.476 -5.088 -19.239 1.00 1.00 H new ATOM 0 HB3 ASN A 34 -10.482 -3.907 -20.054 1.00 1.00 H new ATOM 0 HD21 ASN A 34 -12.054 -2.642 -17.202 1.00 1.00 H new ATOM 0 HD22 ASN A 34 -11.867 -2.643 -18.959 1.00 1.00 H new ATOM 555 N GLN A 35 -13.371 -4.792 -20.846 1.00 1.00 N ATOM 556 CA GLN A 35 -14.734 -4.290 -20.888 1.00 1.00 C ATOM 557 C GLN A 35 -15.682 -5.355 -20.333 1.00 1.00 C ATOM 558 O GLN A 35 -16.595 -4.995 -19.575 1.00 1.00 O ATOM 559 CB GLN A 35 -15.139 -3.881 -22.306 1.00 1.00 C ATOM 560 CG GLN A 35 -15.995 -2.613 -22.288 1.00 1.00 C ATOM 561 CD GLN A 35 -15.163 -1.385 -22.664 1.00 1.00 C ATOM 562 OE1 GLN A 35 -14.687 -1.244 -23.778 1.00 1.00 O ATOM 563 NE2 GLN A 35 -15.016 -0.508 -21.676 1.00 1.00 N ATOM 0 H GLN A 35 -12.855 -4.675 -21.718 1.00 1.00 H new ATOM 0 HA GLN A 35 -14.796 -3.395 -20.269 1.00 1.00 H new ATOM 0 HB2 GLN A 35 -14.246 -3.713 -22.909 1.00 1.00 H new ATOM 0 HB3 GLN A 35 -15.694 -4.692 -22.778 1.00 1.00 H new ATOM 0 HG2 GLN A 35 -16.826 -2.721 -22.985 1.00 1.00 H new ATOM 0 HG3 GLN A 35 -16.426 -2.475 -21.297 1.00 1.00 H new ATOM 0 HE21 GLN A 35 -15.442 -0.688 -20.767 1.00 1.00 H new ATOM 0 HE22 GLN A 35 -14.478 0.345 -21.827 1.00 1.00 H new ATOM 572 N THR A 36 -15.452 -6.624 -20.714 1.00 1.00 N ATOM 573 CA THR A 36 -16.279 -7.728 -20.257 1.00 1.00 C ATOM 574 C THR A 36 -15.465 -8.614 -19.313 1.00 1.00 C ATOM 575 O THR A 36 -16.051 -9.518 -18.701 1.00 1.00 O ATOM 576 CB THR A 36 -16.816 -8.474 -21.480 1.00 1.00 C ATOM 577 OG1 THR A 36 -15.646 -8.959 -22.133 1.00 1.00 O ATOM 578 CG2 THR A 36 -17.454 -7.536 -22.506 1.00 1.00 C ATOM 0 H THR A 36 -14.695 -6.899 -21.340 1.00 1.00 H new ATOM 0 HA THR A 36 -17.139 -7.376 -19.688 1.00 1.00 H new ATOM 0 HB THR A 36 -17.550 -9.213 -21.160 1.00 1.00 H new ATOM 0 HG1 THR A 36 -15.750 -9.915 -22.323 1.00 1.00 H new ATOM 0 HG21 THR A 36 -17.818 -8.117 -23.353 1.00 1.00 H new ATOM 0 HG22 THR A 36 -18.287 -7.005 -22.045 1.00 1.00 H new ATOM 0 HG23 THR A 36 -16.712 -6.816 -22.852 1.00 1.00 H new ATOM 586 N LYS A 37 -14.151 -8.342 -19.216 1.00 1.00 N ATOM 587 CA LYS A 37 -13.267 -9.110 -18.355 1.00 1.00 C ATOM 588 C LYS A 37 -13.220 -10.559 -18.843 1.00 1.00 C ATOM 589 O LYS A 37 -13.390 -11.466 -18.014 1.00 1.00 O ATOM 590 CB LYS A 37 -13.689 -8.967 -16.892 1.00 1.00 C ATOM 591 CG LYS A 37 -13.423 -7.550 -16.380 1.00 1.00 C ATOM 592 CD LYS A 37 -14.731 -6.844 -16.014 1.00 1.00 C ATOM 593 CE LYS A 37 -15.363 -7.473 -14.771 1.00 1.00 C ATOM 594 NZ LYS A 37 -15.303 -6.540 -13.634 1.00 1.00 N ATOM 0 H LYS A 37 -13.688 -7.592 -19.729 1.00 1.00 H new ATOM 0 HA LYS A 37 -12.250 -8.722 -18.409 1.00 1.00 H new ATOM 0 HB2 LYS A 37 -14.749 -9.201 -16.791 1.00 1.00 H new ATOM 0 HB3 LYS A 37 -13.144 -9.687 -16.281 1.00 1.00 H new ATOM 0 HG2 LYS A 37 -12.771 -7.591 -15.507 1.00 1.00 H new ATOM 0 HG3 LYS A 37 -12.897 -6.976 -17.143 1.00 1.00 H new ATOM 0 HD2 LYS A 37 -14.540 -5.786 -15.834 1.00 1.00 H new ATOM 0 HD3 LYS A 37 -15.427 -6.904 -16.850 1.00 1.00 H new ATOM 0 HE2 LYS A 37 -16.400 -7.738 -14.977 1.00 1.00 H new ATOM 0 HE3 LYS A 37 -14.842 -8.397 -14.519 1.00 1.00 H new ATOM 0 HZ1 LYS A 37 -15.736 -6.983 -12.799 1.00 1.00 H new ATOM 0 HZ2 LYS A 37 -14.311 -6.308 -13.427 1.00 1.00 H new ATOM 0 HZ3 LYS A 37 -15.820 -5.669 -13.872 1.00 1.00 H new ATOM 608 N GLN A 38 -12.994 -10.746 -20.155 1.00 1.00 N ATOM 609 CA GLN A 38 -12.925 -12.073 -20.743 1.00 1.00 C ATOM 610 C GLN A 38 -12.387 -11.966 -22.172 1.00 1.00 C ATOM 611 O GLN A 38 -12.210 -10.837 -22.652 1.00 1.00 O ATOM 612 CB GLN A 38 -14.288 -12.769 -20.722 1.00 1.00 C ATOM 613 CG GLN A 38 -14.218 -14.087 -19.949 1.00 1.00 C ATOM 614 CD GLN A 38 -15.412 -14.984 -20.286 1.00 1.00 C ATOM 615 OE1 GLN A 38 -15.535 -15.256 -21.581 1.00 1.00 O flip ATOM 616 NE2 GLN A 38 -16.170 -15.401 -19.426 1.00 1.00 N flip ATOM 0 H GLN A 38 -12.857 -9.985 -20.821 1.00 1.00 H new ATOM 0 HA GLN A 38 -12.247 -12.684 -20.147 1.00 1.00 H new ATOM 0 HB2 GLN A 38 -15.028 -12.113 -20.264 1.00 1.00 H new ATOM 0 HB3 GLN A 38 -14.619 -12.959 -21.743 1.00 1.00 H new ATOM 0 HG2 GLN A 38 -13.290 -14.605 -20.190 1.00 1.00 H new ATOM 0 HG3 GLN A 38 -14.201 -13.884 -18.878 1.00 1.00 H new ATOM 0 HE21 GLN A 38 -16.018 -15.153 -18.448 1.00 1.00 H new ATOM 0 HE22 GLN A 38 -16.956 -15.997 -19.685 1.00 1.00 H new ATOM 625 N CYS A 39 -12.143 -13.124 -22.812 1.00 1.00 N ATOM 626 CA CYS A 39 -11.631 -13.159 -24.171 1.00 1.00 C ATOM 627 C CYS A 39 -12.764 -12.833 -25.147 1.00 1.00 C ATOM 628 O CYS A 39 -13.821 -13.475 -25.058 1.00 1.00 O ATOM 629 CB CYS A 39 -10.981 -14.509 -24.481 1.00 1.00 C ATOM 630 SG CYS A 39 -9.440 -14.838 -23.577 1.00 1.00 S ATOM 0 H CYS A 39 -12.296 -14.044 -22.398 1.00 1.00 H new ATOM 0 HA CYS A 39 -10.851 -12.406 -24.282 1.00 1.00 H new ATOM 0 HB2 CYS A 39 -11.695 -15.301 -24.254 1.00 1.00 H new ATOM 0 HB3 CYS A 39 -10.777 -14.561 -25.550 1.00 1.00 H new ATOM 0 HG CYS A 39 -8.482 -14.114 -24.075 1.00 1.00 H new ATOM 636 N GLU A 40 -12.525 -11.859 -26.043 1.00 1.00 N ATOM 637 CA GLU A 40 -13.518 -11.455 -27.024 1.00 1.00 C ATOM 638 C GLU A 40 -12.934 -11.613 -28.429 1.00 1.00 C ATOM 639 O GLU A 40 -11.778 -11.215 -28.635 1.00 1.00 O ATOM 640 CB GLU A 40 -13.993 -10.021 -26.785 1.00 1.00 C ATOM 641 CG GLU A 40 -14.362 -9.802 -25.316 1.00 1.00 C ATOM 642 CD GLU A 40 -15.681 -10.497 -24.973 1.00 1.00 C ATOM 643 OE1 GLU A 40 -15.677 -11.670 -24.571 1.00 1.00 O ATOM 644 OE2 GLU A 40 -16.737 -9.774 -25.135 1.00 1.00 O ATOM 0 H GLU A 40 -11.647 -11.343 -26.099 1.00 1.00 H new ATOM 0 HA GLU A 40 -14.392 -12.099 -26.923 1.00 1.00 H new ATOM 0 HB2 GLU A 40 -13.209 -9.322 -27.075 1.00 1.00 H new ATOM 0 HB3 GLU A 40 -14.857 -9.811 -27.416 1.00 1.00 H new ATOM 0 HG2 GLU A 40 -13.567 -10.186 -24.676 1.00 1.00 H new ATOM 0 HG3 GLU A 40 -14.446 -8.734 -25.114 1.00 1.00 H new ATOM 651 N ARG A 41 -13.731 -12.180 -29.353 1.00 1.00 N ATOM 652 CA ARG A 41 -13.296 -12.386 -30.723 1.00 1.00 C ATOM 653 C ARG A 41 -13.096 -11.029 -31.400 1.00 1.00 C ATOM 654 O ARG A 41 -13.868 -10.104 -31.107 1.00 1.00 O ATOM 655 CB ARG A 41 -14.315 -13.201 -31.522 1.00 1.00 C ATOM 656 CG ARG A 41 -13.725 -14.545 -31.955 1.00 1.00 C ATOM 657 CD ARG A 41 -14.787 -15.646 -31.925 1.00 1.00 C ATOM 658 NE ARG A 41 -15.517 -15.680 -33.211 1.00 1.00 N ATOM 659 CZ ARG A 41 -16.296 -16.707 -33.612 1.00 1.00 C ATOM 660 NH1 ARG A 41 -16.430 -17.773 -32.811 1.00 1.00 N ATOM 661 NH2 ARG A 41 -16.926 -16.662 -34.794 1.00 1.00 N ATOM 0 H ARG A 41 -14.680 -12.500 -29.163 1.00 1.00 H new ATOM 0 HA ARG A 41 -12.359 -12.943 -30.699 1.00 1.00 H new ATOM 0 HB2 ARG A 41 -15.206 -13.369 -30.917 1.00 1.00 H new ATOM 0 HB3 ARG A 41 -14.628 -12.637 -32.401 1.00 1.00 H new ATOM 0 HG2 ARG A 41 -13.314 -14.459 -32.961 1.00 1.00 H new ATOM 0 HG3 ARG A 41 -12.900 -14.813 -31.296 1.00 1.00 H new ATOM 0 HD2 ARG A 41 -14.317 -16.611 -31.739 1.00 1.00 H new ATOM 0 HD3 ARG A 41 -15.484 -15.468 -31.106 1.00 1.00 H new ATOM 0 HE ARG A 41 -15.426 -14.877 -33.834 1.00 1.00 H new ATOM 0 HH11 ARG A 41 -15.947 -17.800 -31.913 1.00 1.00 H new ATOM 0 HH12 ARG A 41 -17.015 -18.557 -33.099 1.00 1.00 H new ATOM 0 HH21 ARG A 41 -16.819 -15.847 -35.398 1.00 1.00 H new ATOM 0 HH22 ARG A 41 -17.513 -17.442 -35.089 1.00 1.00 H new ATOM 675 N PHE A 42 -12.080 -10.937 -32.277 1.00 1.00 N ATOM 676 CA PHE A 42 -11.785 -9.703 -32.987 1.00 1.00 C ATOM 677 C PHE A 42 -10.908 -10.016 -34.200 1.00 1.00 C ATOM 678 O PHE A 42 -10.135 -10.984 -34.136 1.00 1.00 O ATOM 679 CB PHE A 42 -11.071 -8.727 -32.032 1.00 1.00 C ATOM 680 CG PHE A 42 -9.557 -8.882 -31.982 1.00 1.00 C ATOM 681 CD1 PHE A 42 -8.980 -10.010 -31.352 1.00 1.00 C ATOM 682 CD2 PHE A 42 -8.718 -7.906 -32.569 1.00 1.00 C ATOM 683 CE1 PHE A 42 -7.577 -10.158 -31.308 1.00 1.00 C ATOM 684 CE2 PHE A 42 -7.316 -8.055 -32.524 1.00 1.00 C ATOM 685 CZ PHE A 42 -6.745 -9.181 -31.893 1.00 1.00 C ATOM 0 H PHE A 42 -11.455 -11.710 -32.504 1.00 1.00 H new ATOM 0 HA PHE A 42 -12.707 -9.238 -33.335 1.00 1.00 H new ATOM 0 HB2 PHE A 42 -11.309 -7.706 -32.332 1.00 1.00 H new ATOM 0 HB3 PHE A 42 -11.471 -8.865 -31.027 1.00 1.00 H new ATOM 0 HD1 PHE A 42 -9.615 -10.760 -30.904 1.00 1.00 H new ATOM 0 HD2 PHE A 42 -9.152 -7.044 -33.053 1.00 1.00 H new ATOM 0 HE1 PHE A 42 -7.140 -11.020 -30.826 1.00 1.00 H new ATOM 0 HE2 PHE A 42 -6.679 -7.307 -32.973 1.00 1.00 H new ATOM 0 HZ PHE A 42 -5.672 -9.294 -31.858 1.00 1.00 H new ATOM 695 N LYS A 43 -11.041 -9.205 -35.265 1.00 1.00 N ATOM 696 CA LYS A 43 -10.266 -9.394 -36.479 1.00 1.00 C ATOM 697 C LYS A 43 -8.778 -9.231 -36.160 1.00 1.00 C ATOM 698 O LYS A 43 -8.426 -9.236 -34.971 1.00 1.00 O ATOM 699 CB LYS A 43 -10.764 -8.459 -37.583 1.00 1.00 C ATOM 700 CG LYS A 43 -11.502 -9.240 -38.672 1.00 1.00 C ATOM 701 CD LYS A 43 -12.999 -9.325 -38.365 1.00 1.00 C ATOM 702 CE LYS A 43 -13.735 -8.085 -38.876 1.00 1.00 C ATOM 703 NZ LYS A 43 -15.190 -8.306 -38.858 1.00 1.00 N ATOM 0 H LYS A 43 -11.683 -8.413 -35.298 1.00 1.00 H new ATOM 0 HA LYS A 43 -10.401 -10.405 -36.864 1.00 1.00 H new ATOM 0 HB2 LYS A 43 -11.428 -7.708 -37.156 1.00 1.00 H new ATOM 0 HB3 LYS A 43 -9.920 -7.926 -38.021 1.00 1.00 H new ATOM 0 HG2 LYS A 43 -11.352 -8.756 -39.637 1.00 1.00 H new ATOM 0 HG3 LYS A 43 -11.085 -10.244 -38.750 1.00 1.00 H new ATOM 0 HD2 LYS A 43 -13.419 -10.218 -38.828 1.00 1.00 H new ATOM 0 HD3 LYS A 43 -13.148 -9.424 -37.290 1.00 1.00 H new ATOM 0 HE2 LYS A 43 -13.484 -7.224 -38.256 1.00 1.00 H new ATOM 0 HE3 LYS A 43 -13.409 -7.853 -39.890 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 -15.675 -7.455 -39.208 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 -15.426 -9.114 -39.468 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 -15.499 -8.505 -37.885 1.00 1.00 H new ATOM 717 N TYR A 44 -7.949 -9.094 -37.210 1.00 1.00 N ATOM 718 CA TYR A 44 -6.523 -8.941 -36.974 1.00 1.00 C ATOM 719 C TYR A 44 -5.876 -8.289 -38.198 1.00 1.00 C ATOM 720 O TYR A 44 -6.163 -7.109 -38.450 1.00 1.00 O ATOM 721 CB TYR A 44 -5.897 -10.311 -36.656 1.00 1.00 C ATOM 722 CG TYR A 44 -4.385 -10.287 -36.478 1.00 1.00 C ATOM 723 CD1 TYR A 44 -3.703 -9.053 -36.383 1.00 1.00 C ATOM 724 CD2 TYR A 44 -3.655 -11.496 -36.401 1.00 1.00 C ATOM 725 CE1 TYR A 44 -2.302 -9.026 -36.215 1.00 1.00 C ATOM 726 CE2 TYR A 44 -2.254 -11.469 -36.233 1.00 1.00 C ATOM 727 CZ TYR A 44 -1.576 -10.234 -36.141 1.00 1.00 C ATOM 728 OH TYR A 44 -0.220 -10.204 -35.980 1.00 1.00 O ATOM 0 H TYR A 44 -8.236 -9.087 -38.189 1.00 1.00 H new ATOM 0 HA TYR A 44 -6.350 -8.293 -36.114 1.00 1.00 H new ATOM 0 HB2 TYR A 44 -6.351 -10.702 -35.745 1.00 1.00 H new ATOM 0 HB3 TYR A 44 -6.145 -11.005 -37.459 1.00 1.00 H new ATOM 0 HD1 TYR A 44 -4.256 -8.127 -36.439 1.00 1.00 H new ATOM 0 HD2 TYR A 44 -4.171 -12.442 -36.471 1.00 1.00 H new ATOM 0 HE1 TYR A 44 -1.785 -8.080 -36.143 1.00 1.00 H new ATOM 0 HE2 TYR A 44 -1.700 -12.394 -36.175 1.00 1.00 H new ATOM 0 HH TYR A 44 0.126 -11.120 -35.947 1.00 1.00 H new ATOM 738 N GLY A 45 -5.025 -9.046 -38.914 1.00 1.00 N ATOM 739 CA GLY A 45 -4.341 -8.534 -40.089 1.00 1.00 C ATOM 740 C GLY A 45 -2.917 -9.093 -40.129 1.00 1.00 C ATOM 741 O GLY A 45 -2.634 -9.922 -41.006 1.00 1.00 O ATOM 0 H GLY A 45 -4.802 -10.016 -38.689 1.00 1.00 H new ATOM 0 HA2 GLY A 45 -4.881 -8.819 -40.992 1.00 1.00 H new ATOM 0 HA3 GLY A 45 -4.316 -7.445 -40.063 1.00 1.00 H new ATOM 745 N GLY A 46 -2.064 -8.636 -39.195 1.00 1.00 N ATOM 746 CA GLY A 46 -0.685 -9.088 -39.125 1.00 1.00 C ATOM 747 C GLY A 46 0.247 -7.875 -39.161 1.00 1.00 C ATOM 748 O GLY A 46 0.692 -7.441 -38.089 1.00 1.00 O ATOM 0 H GLY A 46 -2.317 -7.952 -38.482 1.00 1.00 H new ATOM 0 HA2 GLY A 46 -0.523 -9.658 -38.210 1.00 1.00 H new ATOM 0 HA3 GLY A 46 -0.466 -9.754 -39.959 1.00 1.00 H new ATOM 752 N CYS A 47 0.519 -7.361 -40.374 1.00 1.00 N ATOM 753 CA CYS A 47 1.389 -6.210 -40.545 1.00 1.00 C ATOM 754 C CYS A 47 1.693 -5.598 -39.175 1.00 1.00 C ATOM 755 O CYS A 47 2.846 -5.693 -38.730 1.00 1.00 O ATOM 756 CB CYS A 47 0.772 -5.188 -41.502 1.00 1.00 C ATOM 757 SG CYS A 47 -0.017 -5.903 -42.974 1.00 1.00 S ATOM 0 H CYS A 47 0.142 -7.734 -41.245 1.00 1.00 H new ATOM 0 HA CYS A 47 2.327 -6.532 -40.997 1.00 1.00 H new ATOM 0 HB2 CYS A 47 0.031 -4.603 -40.958 1.00 1.00 H new ATOM 0 HB3 CYS A 47 1.550 -4.496 -41.824 1.00 1.00 H new ATOM 763 N LEU A 48 0.670 -4.993 -38.546 1.00 1.00 N ATOM 764 CA LEU A 48 0.827 -4.374 -37.241 1.00 1.00 C ATOM 765 C LEU A 48 -0.135 -5.031 -36.249 1.00 1.00 C ATOM 766 O LEU A 48 -0.640 -6.122 -36.553 1.00 1.00 O ATOM 767 CB LEU A 48 0.661 -2.856 -37.345 1.00 1.00 C ATOM 768 CG LEU A 48 1.867 -2.018 -36.916 1.00 1.00 C ATOM 769 CD1 LEU A 48 1.670 -0.546 -37.282 1.00 1.00 C ATOM 770 CD2 LEU A 48 2.162 -2.204 -35.426 1.00 1.00 C ATOM 0 H LEU A 48 -0.272 -4.926 -38.931 1.00 1.00 H new ATOM 0 HA LEU A 48 1.836 -4.537 -36.862 1.00 1.00 H new ATOM 0 HB2 LEU A 48 0.420 -2.607 -38.378 1.00 1.00 H new ATOM 0 HB3 LEU A 48 -0.195 -2.562 -36.738 1.00 1.00 H new ATOM 0 HG LEU A 48 2.741 -2.372 -37.464 1.00 1.00 H new ATOM 0 HD11 LEU A 48 2.542 0.027 -36.966 1.00 1.00 H new ATOM 0 HD12 LEU A 48 1.546 -0.453 -38.361 1.00 1.00 H new ATOM 0 HD13 LEU A 48 0.782 -0.162 -36.780 1.00 1.00 H new ATOM 0 HD21 LEU A 48 3.024 -1.597 -35.147 1.00 1.00 H new ATOM 0 HD22 LEU A 48 1.296 -1.894 -34.842 1.00 1.00 H new ATOM 0 HD23 LEU A 48 2.377 -3.254 -35.226 1.00 1.00 H new ATOM 782 N GLY A 49 -0.364 -4.367 -35.103 1.00 1.00 N ATOM 783 CA GLY A 49 -1.257 -4.884 -34.079 1.00 1.00 C ATOM 784 C GLY A 49 -0.623 -4.676 -32.703 1.00 1.00 C ATOM 785 O GLY A 49 0.090 -3.676 -32.527 1.00 1.00 O ATOM 0 H GLY A 49 0.063 -3.470 -34.872 1.00 1.00 H new ATOM 0 HA2 GLY A 49 -2.220 -4.375 -34.129 1.00 1.00 H new ATOM 0 HA3 GLY A 49 -1.448 -5.944 -34.248 1.00 1.00 H new ATOM 789 N ASN A 50 -0.888 -5.608 -31.770 1.00 1.00 N ATOM 790 CA ASN A 50 -0.347 -5.526 -30.424 1.00 1.00 C ATOM 791 C ASN A 50 -0.064 -6.938 -29.906 1.00 1.00 C ATOM 792 O ASN A 50 0.100 -7.847 -30.732 1.00 1.00 O ATOM 793 CB ASN A 50 -1.341 -4.863 -29.469 1.00 1.00 C ATOM 794 CG ASN A 50 -2.528 -5.786 -29.185 1.00 1.00 C ATOM 795 OD1 ASN A 50 -2.598 -6.910 -29.652 1.00 1.00 O ATOM 796 ND2 ASN A 50 -3.454 -5.249 -28.396 1.00 1.00 N ATOM 0 H ASN A 50 -1.476 -6.424 -31.936 1.00 1.00 H new ATOM 0 HA ASN A 50 0.566 -4.931 -30.464 1.00 1.00 H new ATOM 0 HB2 ASN A 50 -0.840 -4.611 -28.534 1.00 1.00 H new ATOM 0 HB3 ASN A 50 -1.698 -3.928 -29.901 1.00 1.00 H new ATOM 0 HD21 ASN A 50 -4.286 -5.785 -28.148 1.00 1.00 H new ATOM 0 HD22 ASN A 50 -3.333 -4.301 -28.039 1.00 1.00 H new ATOM 803 N MET A 51 -0.015 -7.091 -28.571 1.00 1.00 N ATOM 804 CA MET A 51 0.245 -8.380 -27.952 1.00 1.00 C ATOM 805 C MET A 51 -1.082 -9.102 -27.713 1.00 1.00 C ATOM 806 O MET A 51 -1.163 -10.302 -28.014 1.00 1.00 O ATOM 807 CB MET A 51 0.973 -8.193 -26.619 1.00 1.00 C ATOM 808 CG MET A 51 2.319 -7.495 -26.823 1.00 1.00 C ATOM 809 SD MET A 51 2.462 -6.079 -25.694 1.00 1.00 S ATOM 810 CE MET A 51 2.265 -4.712 -26.875 1.00 1.00 C ATOM 0 H MET A 51 -0.154 -6.329 -27.908 1.00 1.00 H new ATOM 0 HA MET A 51 0.875 -8.973 -28.616 1.00 1.00 H new ATOM 0 HB2 MET A 51 0.354 -7.605 -25.941 1.00 1.00 H new ATOM 0 HB3 MET A 51 1.130 -9.163 -26.147 1.00 1.00 H new ATOM 0 HG2 MET A 51 3.133 -8.197 -26.644 1.00 1.00 H new ATOM 0 HG3 MET A 51 2.410 -7.158 -27.856 1.00 1.00 H new ATOM 0 HE1 MET A 51 2.327 -3.762 -26.345 1.00 1.00 H new ATOM 0 HE2 MET A 51 3.055 -4.762 -27.625 1.00 1.00 H new ATOM 0 HE3 MET A 51 1.294 -4.791 -27.365 1.00 1.00 H new ATOM 820 N ASN A 52 -2.079 -8.371 -27.183 1.00 1.00 N ATOM 821 CA ASN A 52 -3.388 -8.939 -26.907 1.00 1.00 C ATOM 822 C ASN A 52 -4.057 -9.333 -28.226 1.00 1.00 C ATOM 823 O ASN A 52 -5.090 -8.737 -28.563 1.00 1.00 O ATOM 824 CB ASN A 52 -4.291 -7.925 -26.203 1.00 1.00 C ATOM 825 CG ASN A 52 -5.359 -8.630 -25.365 1.00 1.00 C ATOM 826 OD1 ASN A 52 -5.166 -9.724 -24.859 1.00 1.00 O ATOM 827 ND2 ASN A 52 -6.493 -7.946 -25.247 1.00 1.00 N ATOM 0 H ASN A 52 -1.991 -7.384 -26.941 1.00 1.00 H new ATOM 0 HA ASN A 52 -3.250 -9.807 -26.262 1.00 1.00 H new ATOM 0 HB2 ASN A 52 -3.689 -7.280 -25.563 1.00 1.00 H new ATOM 0 HB3 ASN A 52 -4.769 -7.283 -26.943 1.00 1.00 H new ATOM 0 HD21 ASN A 52 -7.268 -8.332 -24.707 1.00 1.00 H new ATOM 0 HD22 ASN A 52 -6.588 -7.035 -25.696 1.00 1.00 H new ATOM 834 N ASN A 53 -3.465 -10.312 -28.933 1.00 1.00 N ATOM 835 CA ASN A 53 -4.000 -10.778 -30.201 1.00 1.00 C ATOM 836 C ASN A 53 -3.769 -12.285 -30.323 1.00 1.00 C ATOM 837 O ASN A 53 -2.814 -12.682 -31.008 1.00 1.00 O ATOM 838 CB ASN A 53 -3.301 -10.095 -31.378 1.00 1.00 C ATOM 839 CG ASN A 53 -3.499 -10.891 -32.670 1.00 1.00 C ATOM 840 OD1 ASN A 53 -4.582 -10.962 -33.226 1.00 1.00 O ATOM 841 ND2 ASN A 53 -2.394 -11.484 -33.114 1.00 1.00 N ATOM 0 H ASN A 53 -2.614 -10.790 -28.637 1.00 1.00 H new ATOM 0 HA ASN A 53 -5.063 -10.540 -30.227 1.00 1.00 H new ATOM 0 HB2 ASN A 53 -3.695 -9.086 -31.504 1.00 1.00 H new ATOM 0 HB3 ASN A 53 -2.236 -9.997 -31.166 1.00 1.00 H new ATOM 0 HD21 ASN A 53 -2.422 -12.039 -33.969 1.00 1.00 H new ATOM 0 HD22 ASN A 53 -1.519 -11.383 -32.599 1.00 1.00 H new ATOM 848 N PHE A 54 -4.633 -13.082 -29.669 1.00 1.00 N ATOM 849 CA PHE A 54 -4.523 -14.530 -29.706 1.00 1.00 C ATOM 850 C PHE A 54 -5.207 -15.058 -30.969 1.00 1.00 C ATOM 851 O PHE A 54 -5.631 -14.238 -31.796 1.00 1.00 O ATOM 852 CB PHE A 54 -5.179 -15.121 -28.442 1.00 1.00 C ATOM 853 CG PHE A 54 -4.610 -14.600 -27.129 1.00 1.00 C ATOM 854 CD1 PHE A 54 -5.157 -13.446 -26.521 1.00 1.00 C ATOM 855 CD2 PHE A 54 -3.525 -15.266 -26.513 1.00 1.00 C ATOM 856 CE1 PHE A 54 -4.624 -12.963 -25.307 1.00 1.00 C ATOM 857 CE2 PHE A 54 -2.993 -14.783 -25.298 1.00 1.00 C ATOM 858 CZ PHE A 54 -3.543 -13.632 -24.695 1.00 1.00 C ATOM 0 H PHE A 54 -5.413 -12.735 -29.110 1.00 1.00 H new ATOM 0 HA PHE A 54 -3.474 -14.827 -29.728 1.00 1.00 H new ATOM 0 HB2 PHE A 54 -6.248 -14.908 -28.470 1.00 1.00 H new ATOM 0 HB3 PHE A 54 -5.070 -16.205 -28.465 1.00 1.00 H new ATOM 0 HD1 PHE A 54 -5.985 -12.933 -26.987 1.00 1.00 H new ATOM 0 HD2 PHE A 54 -3.102 -16.147 -26.974 1.00 1.00 H new ATOM 0 HE1 PHE A 54 -5.044 -12.081 -24.846 1.00 1.00 H new ATOM 0 HE2 PHE A 54 -2.165 -15.294 -24.830 1.00 1.00 H new ATOM 0 HZ PHE A 54 -3.136 -13.263 -23.765 1.00 1.00 H new ATOM 868 N GLU A 55 -5.298 -16.394 -31.091 1.00 1.00 N ATOM 869 CA GLU A 55 -5.924 -17.021 -32.242 1.00 1.00 C ATOM 870 C GLU A 55 -7.155 -17.806 -31.784 1.00 1.00 C ATOM 871 O GLU A 55 -8.131 -17.870 -32.546 1.00 1.00 O ATOM 872 CB GLU A 55 -4.944 -17.926 -32.992 1.00 1.00 C ATOM 873 CG GLU A 55 -3.618 -17.206 -33.245 1.00 1.00 C ATOM 874 CD GLU A 55 -2.806 -17.920 -34.329 1.00 1.00 C ATOM 875 OE1 GLU A 55 -2.483 -19.138 -34.055 1.00 1.00 O ATOM 876 OE2 GLU A 55 -2.508 -17.322 -35.374 1.00 1.00 O ATOM 0 H GLU A 55 -4.941 -17.052 -30.398 1.00 1.00 H new ATOM 0 HA GLU A 55 -6.233 -16.242 -32.939 1.00 1.00 H new ATOM 0 HB2 GLU A 55 -4.765 -18.833 -32.414 1.00 1.00 H new ATOM 0 HB3 GLU A 55 -5.382 -18.234 -33.941 1.00 1.00 H new ATOM 0 HG2 GLU A 55 -3.811 -16.177 -33.548 1.00 1.00 H new ATOM 0 HG3 GLU A 55 -3.041 -17.164 -32.321 1.00 1.00 H new ATOM 883 N THR A 56 -7.086 -18.378 -30.569 1.00 1.00 N ATOM 884 CA THR A 56 -8.187 -19.151 -30.017 1.00 1.00 C ATOM 885 C THR A 56 -8.646 -18.511 -28.706 1.00 1.00 C ATOM 886 O THR A 56 -7.847 -17.791 -28.089 1.00 1.00 O ATOM 887 CB THR A 56 -7.733 -20.603 -29.858 1.00 1.00 C ATOM 888 OG1 THR A 56 -6.313 -20.517 -29.782 1.00 1.00 O ATOM 889 CG2 THR A 56 -7.988 -21.437 -31.116 1.00 1.00 C ATOM 0 H THR A 56 -6.272 -18.313 -29.957 1.00 1.00 H new ATOM 0 HA THR A 56 -9.050 -19.152 -30.683 1.00 1.00 H new ATOM 0 HB THR A 56 -8.251 -21.054 -29.011 1.00 1.00 H new ATOM 0 HG1 THR A 56 -5.946 -21.387 -29.518 1.00 1.00 H new ATOM 0 HG21 THR A 56 -7.648 -22.459 -30.950 1.00 1.00 H new ATOM 0 HG22 THR A 56 -9.055 -21.441 -31.340 1.00 1.00 H new ATOM 0 HG23 THR A 56 -7.443 -21.005 -31.956 1.00 1.00 H new ATOM 897 N LEU A 57 -9.904 -18.781 -28.313 1.00 1.00 N ATOM 898 CA LEU A 57 -10.462 -18.235 -27.087 1.00 1.00 C ATOM 899 C LEU A 57 -9.790 -18.903 -25.885 1.00 1.00 C ATOM 900 O LEU A 57 -9.371 -18.183 -24.968 1.00 1.00 O ATOM 901 CB LEU A 57 -11.986 -18.362 -27.089 1.00 1.00 C ATOM 902 CG LEU A 57 -12.730 -17.528 -26.043 1.00 1.00 C ATOM 903 CD1 LEU A 57 -12.901 -16.083 -26.515 1.00 1.00 C ATOM 904 CD2 LEU A 57 -14.068 -18.173 -25.678 1.00 1.00 C ATOM 0 H LEU A 57 -10.546 -19.377 -28.836 1.00 1.00 H new ATOM 0 HA LEU A 57 -10.255 -17.167 -27.016 1.00 1.00 H new ATOM 0 HB2 LEU A 57 -12.353 -18.082 -28.076 1.00 1.00 H new ATOM 0 HB3 LEU A 57 -12.244 -19.410 -26.939 1.00 1.00 H new ATOM 0 HG LEU A 57 -12.127 -17.502 -25.135 1.00 1.00 H new ATOM 0 HD11 LEU A 57 -13.433 -15.512 -25.754 1.00 1.00 H new ATOM 0 HD12 LEU A 57 -11.921 -15.637 -26.685 1.00 1.00 H new ATOM 0 HD13 LEU A 57 -13.472 -16.069 -27.444 1.00 1.00 H new ATOM 0 HD21 LEU A 57 -14.576 -17.560 -24.933 1.00 1.00 H new ATOM 0 HD22 LEU A 57 -14.690 -18.250 -26.570 1.00 1.00 H new ATOM 0 HD23 LEU A 57 -13.893 -19.169 -25.270 1.00 1.00 H new ATOM 916 N GLU A 58 -9.703 -20.245 -25.913 1.00 1.00 N ATOM 917 CA GLU A 58 -9.089 -21.000 -24.834 1.00 1.00 C ATOM 918 C GLU A 58 -7.635 -20.553 -24.669 1.00 1.00 C ATOM 919 O GLU A 58 -7.154 -20.524 -23.527 1.00 1.00 O ATOM 920 CB GLU A 58 -9.175 -22.507 -25.083 1.00 1.00 C ATOM 921 CG GLU A 58 -9.395 -23.267 -23.773 1.00 1.00 C ATOM 922 CD GLU A 58 -9.429 -24.777 -24.015 1.00 1.00 C ATOM 923 OE1 GLU A 58 -10.042 -25.144 -25.088 1.00 1.00 O ATOM 924 OE2 GLU A 58 -8.892 -25.547 -23.205 1.00 1.00 O ATOM 0 H GLU A 58 -10.055 -20.820 -26.679 1.00 1.00 H new ATOM 0 HA GLU A 58 -9.634 -20.800 -23.912 1.00 1.00 H new ATOM 0 HB2 GLU A 58 -9.992 -22.719 -25.773 1.00 1.00 H new ATOM 0 HB3 GLU A 58 -8.258 -22.854 -25.559 1.00 1.00 H new ATOM 0 HG2 GLU A 58 -8.598 -23.026 -23.070 1.00 1.00 H new ATOM 0 HG3 GLU A 58 -10.331 -22.947 -23.316 1.00 1.00 H new ATOM 931 N GLU A 59 -6.976 -20.220 -25.793 1.00 1.00 N ATOM 932 CA GLU A 59 -5.591 -19.780 -25.771 1.00 1.00 C ATOM 933 C GLU A 59 -5.510 -18.396 -25.124 1.00 1.00 C ATOM 934 O GLU A 59 -4.654 -18.204 -24.248 1.00 1.00 O ATOM 935 CB GLU A 59 -4.985 -19.764 -27.176 1.00 1.00 C ATOM 936 CG GLU A 59 -3.477 -20.017 -27.125 1.00 1.00 C ATOM 937 CD GLU A 59 -2.882 -20.072 -28.534 1.00 1.00 C ATOM 938 OE1 GLU A 59 -3.342 -19.348 -29.430 1.00 1.00 O ATOM 939 OE2 GLU A 59 -1.907 -20.903 -28.683 1.00 1.00 O ATOM 0 H GLU A 59 -7.391 -20.251 -26.724 1.00 1.00 H new ATOM 0 HA GLU A 59 -5.009 -20.488 -25.181 1.00 1.00 H new ATOM 0 HB2 GLU A 59 -5.465 -20.525 -27.792 1.00 1.00 H new ATOM 0 HB3 GLU A 59 -5.180 -18.802 -27.649 1.00 1.00 H new ATOM 0 HG2 GLU A 59 -2.991 -19.227 -26.552 1.00 1.00 H new ATOM 0 HG3 GLU A 59 -3.279 -20.955 -26.606 1.00 1.00 H new ATOM 946 N CYS A 60 -6.388 -17.475 -25.560 1.00 1.00 N ATOM 947 CA CYS A 60 -6.415 -16.124 -25.026 1.00 1.00 C ATOM 948 C CYS A 60 -6.749 -16.177 -23.534 1.00 1.00 C ATOM 949 O CYS A 60 -6.285 -15.296 -22.794 1.00 1.00 O ATOM 950 CB CYS A 60 -7.399 -15.244 -25.800 1.00 1.00 C ATOM 951 SG CYS A 60 -7.888 -13.716 -24.947 1.00 1.00 S ATOM 0 H CYS A 60 -7.085 -17.654 -26.283 1.00 1.00 H new ATOM 0 HA CYS A 60 -5.431 -15.670 -25.145 1.00 1.00 H new ATOM 0 HB2 CYS A 60 -6.953 -14.981 -26.759 1.00 1.00 H new ATOM 0 HB3 CYS A 60 -8.295 -15.827 -26.014 1.00 1.00 H new ATOM 0 HG CYS A 60 -8.871 -13.968 -24.134 1.00 1.00 H new ATOM 957 N LYS A 61 -7.532 -17.191 -23.127 1.00 1.00 N ATOM 958 CA LYS A 61 -7.922 -17.354 -21.737 1.00 1.00 C ATOM 959 C LYS A 61 -6.779 -18.014 -20.965 1.00 1.00 C ATOM 960 O LYS A 61 -6.470 -17.551 -19.857 1.00 1.00 O ATOM 961 CB LYS A 61 -9.248 -18.110 -21.638 1.00 1.00 C ATOM 962 CG LYS A 61 -10.428 -17.195 -21.973 1.00 1.00 C ATOM 963 CD LYS A 61 -11.732 -17.747 -21.393 1.00 1.00 C ATOM 964 CE LYS A 61 -12.927 -16.895 -21.824 1.00 1.00 C ATOM 965 NZ LYS A 61 -13.913 -17.717 -22.546 1.00 1.00 N ATOM 0 H LYS A 61 -7.903 -17.907 -23.752 1.00 1.00 H new ATOM 0 HA LYS A 61 -8.100 -16.383 -21.275 1.00 1.00 H new ATOM 0 HB2 LYS A 61 -9.238 -18.960 -22.320 1.00 1.00 H new ATOM 0 HB3 LYS A 61 -9.368 -18.510 -20.631 1.00 1.00 H new ATOM 0 HG2 LYS A 61 -10.243 -16.197 -21.576 1.00 1.00 H new ATOM 0 HG3 LYS A 61 -10.520 -17.096 -23.055 1.00 1.00 H new ATOM 0 HD2 LYS A 61 -11.875 -18.775 -21.725 1.00 1.00 H new ATOM 0 HD3 LYS A 61 -11.670 -17.769 -20.305 1.00 1.00 H new ATOM 0 HE2 LYS A 61 -13.393 -16.443 -20.949 1.00 1.00 H new ATOM 0 HE3 LYS A 61 -12.588 -16.079 -22.462 1.00 1.00 H new ATOM 0 HZ1 LYS A 61 -14.540 -17.100 -23.101 1.00 1.00 H new ATOM 0 HZ2 LYS A 61 -13.418 -18.372 -23.185 1.00 1.00 H new ATOM 0 HZ3 LYS A 61 -14.478 -18.261 -21.863 1.00 1.00 H new ATOM 979 N ASN A 62 -6.183 -19.066 -21.554 1.00 1.00 N ATOM 980 CA ASN A 62 -5.085 -19.781 -20.926 1.00 1.00 C ATOM 981 C ASN A 62 -3.980 -18.788 -20.557 1.00 1.00 C ATOM 982 O ASN A 62 -3.417 -18.913 -19.459 1.00 1.00 O ATOM 983 CB ASN A 62 -4.488 -20.820 -21.877 1.00 1.00 C ATOM 984 CG ASN A 62 -4.321 -22.171 -21.178 1.00 1.00 C ATOM 985 OD1 ASN A 62 -5.272 -22.785 -20.723 1.00 1.00 O ATOM 986 ND2 ASN A 62 -3.063 -22.597 -21.118 1.00 1.00 N ATOM 0 H ASN A 62 -6.453 -19.432 -22.467 1.00 1.00 H new ATOM 0 HA ASN A 62 -5.473 -20.284 -20.040 1.00 1.00 H new ATOM 0 HB2 ASN A 62 -5.133 -20.934 -22.748 1.00 1.00 H new ATOM 0 HB3 ASN A 62 -3.521 -20.472 -22.240 1.00 1.00 H new ATOM 0 HD21 ASN A 62 -2.847 -23.488 -20.671 1.00 1.00 H new ATOM 0 HD22 ASN A 62 -2.314 -22.033 -21.519 1.00 1.00 H new ATOM 993 N ILE A 63 -3.697 -17.838 -21.465 1.00 1.00 N ATOM 994 CA ILE A 63 -2.670 -16.836 -21.236 1.00 1.00 C ATOM 995 C ILE A 63 -3.204 -15.776 -20.271 1.00 1.00 C ATOM 996 O ILE A 63 -2.526 -15.493 -19.272 1.00 1.00 O ATOM 997 CB ILE A 63 -2.176 -16.262 -22.566 1.00 1.00 C ATOM 998 CG1 ILE A 63 -1.202 -17.225 -23.250 1.00 1.00 C ATOM 999 CG2 ILE A 63 -1.566 -14.873 -22.371 1.00 1.00 C ATOM 1000 CD1 ILE A 63 -1.947 -18.203 -24.161 1.00 1.00 C ATOM 0 H ILE A 63 -4.173 -17.752 -22.363 1.00 1.00 H new ATOM 0 HA ILE A 63 -1.797 -17.287 -20.765 1.00 1.00 H new ATOM 0 HB ILE A 63 -3.034 -16.146 -23.228 1.00 1.00 H new ATOM 0 HG12 ILE A 63 -0.476 -16.660 -23.834 1.00 1.00 H new ATOM 0 HG13 ILE A 63 -0.643 -17.779 -22.496 1.00 1.00 H new ATOM 0 HG21 ILE A 63 -1.223 -14.488 -23.331 1.00 1.00 H new ATOM 0 HG22 ILE A 63 -2.318 -14.200 -21.958 1.00 1.00 H new ATOM 0 HG23 ILE A 63 -0.722 -14.939 -21.684 1.00 1.00 H new ATOM 0 HD11 ILE A 63 -1.232 -18.876 -24.635 1.00 1.00 H new ATOM 0 HD12 ILE A 63 -2.655 -18.784 -23.570 1.00 1.00 H new ATOM 0 HD13 ILE A 63 -2.485 -17.647 -24.929 1.00 1.00 H new ATOM 1012 N CYS A 64 -4.390 -15.221 -20.580 1.00 1.00 N ATOM 1013 CA CYS A 64 -5.005 -14.203 -19.746 1.00 1.00 C ATOM 1014 C CYS A 64 -5.763 -14.879 -18.601 1.00 1.00 C ATOM 1015 O CYS A 64 -5.205 -14.971 -17.498 1.00 1.00 O ATOM 1016 CB CYS A 64 -5.913 -13.289 -20.570 1.00 1.00 C ATOM 1017 SG CYS A 64 -5.243 -12.806 -22.188 1.00 1.00 S ATOM 0 H CYS A 64 -4.934 -15.470 -21.406 1.00 1.00 H new ATOM 0 HA CYS A 64 -4.228 -13.567 -19.320 1.00 1.00 H new ATOM 0 HB2 CYS A 64 -6.868 -13.792 -20.723 1.00 1.00 H new ATOM 0 HB3 CYS A 64 -6.117 -12.387 -19.993 1.00 1.00 H new ATOM 0 HG CYS A 64 -4.120 -12.173 -22.021 1.00 1.00 H new ATOM 1023 N GLU A 65 -6.998 -15.331 -18.881 1.00 1.00 N ATOM 1024 CA GLU A 65 -7.821 -15.991 -17.881 1.00 1.00 C ATOM 1025 C GLU A 65 -6.929 -16.833 -16.967 1.00 1.00 C ATOM 1026 O GLU A 65 -7.254 -16.958 -15.778 1.00 1.00 O ATOM 1027 CB GLU A 65 -8.910 -16.850 -18.528 1.00 1.00 C ATOM 1028 CG GLU A 65 -10.239 -16.094 -18.592 1.00 1.00 C ATOM 1029 CD GLU A 65 -11.387 -16.957 -18.066 1.00 1.00 C ATOM 1030 OE1 GLU A 65 -11.169 -18.228 -18.091 1.00 1.00 O ATOM 1031 OE2 GLU A 65 -12.428 -16.422 -17.658 1.00 1.00 O ATOM 0 H GLU A 65 -7.439 -15.246 -19.797 1.00 1.00 H new ATOM 0 HA GLU A 65 -8.328 -15.230 -17.287 1.00 1.00 H new ATOM 0 HB2 GLU A 65 -8.602 -17.137 -19.533 1.00 1.00 H new ATOM 0 HB3 GLU A 65 -9.038 -17.771 -17.959 1.00 1.00 H new ATOM 0 HG2 GLU A 65 -10.169 -15.178 -18.005 1.00 1.00 H new ATOM 0 HG3 GLU A 65 -10.444 -15.798 -19.621 1.00 1.00 H new ATOM 1038 N ASP A 66 -5.840 -17.385 -17.531 1.00 1.00 N ATOM 1039 CA ASP A 66 -4.912 -18.207 -16.772 1.00 1.00 C ATOM 1040 C ASP A 66 -5.292 -19.680 -16.934 1.00 1.00 C ATOM 1041 O ASP A 66 -6.324 -19.957 -17.563 1.00 1.00 O ATOM 1042 CB ASP A 66 -4.966 -17.865 -15.282 1.00 1.00 C ATOM 1043 CG ASP A 66 -6.012 -18.640 -14.478 1.00 1.00 C ATOM 1044 OD1 ASP A 66 -6.963 -19.202 -15.042 1.00 1.00 O ATOM 1045 OD2 ASP A 66 -5.819 -18.653 -13.203 1.00 1.00 O ATOM 0 H ASP A 66 -5.590 -17.270 -18.513 1.00 1.00 H new ATOM 0 HA ASP A 66 -3.907 -18.018 -17.149 1.00 1.00 H new ATOM 0 HB2 ASP A 66 -3.984 -18.050 -14.846 1.00 1.00 H new ATOM 0 HB3 ASP A 66 -5.165 -16.799 -15.176 1.00 1.00 H new ATOM 1050 N GLY A 67 -4.466 -20.580 -16.371 1.00 1.00 N ATOM 1051 CA GLY A 67 -4.715 -22.009 -16.452 1.00 1.00 C ATOM 1052 C GLY A 67 -3.461 -22.767 -16.011 1.00 1.00 C ATOM 1053 O GLY A 67 -2.561 -22.134 -15.439 1.00 1.00 O ATOM 0 H GLY A 67 -3.621 -20.330 -15.856 1.00 1.00 H new ATOM 0 HA2 GLY A 67 -5.559 -22.279 -15.817 1.00 1.00 H new ATOM 0 HA3 GLY A 67 -4.981 -22.286 -17.472 1.00 1.00 H new ATOM 1057 N PRO A 68 -3.427 -24.084 -16.280 1.00 1.00 N ATOM 1058 CA PRO A 68 -2.311 -24.946 -15.928 1.00 1.00 C ATOM 1059 C PRO A 68 -1.137 -24.743 -16.888 1.00 1.00 C ATOM 1060 O PRO A 68 -0.679 -25.733 -17.477 1.00 1.00 O ATOM 1061 CB PRO A 68 -2.875 -26.356 -15.969 1.00 1.00 C ATOM 1062 CG PRO A 68 -4.152 -26.271 -16.790 1.00 1.00 C ATOM 1063 CD PRO A 68 -4.521 -24.802 -16.926 1.00 1.00 C ATOM 0 HA PRO A 68 -1.902 -24.724 -14.942 1.00 1.00 H new ATOM 0 HB2 PRO A 68 -2.165 -27.048 -16.422 1.00 1.00 H new ATOM 0 HB3 PRO A 68 -3.081 -26.724 -14.964 1.00 1.00 H new ATOM 0 HG2 PRO A 68 -4.005 -26.720 -17.772 1.00 1.00 H new ATOM 0 HG3 PRO A 68 -4.956 -26.823 -16.304 1.00 1.00 H new ATOM 0 HD2 PRO A 68 -4.620 -24.514 -17.973 1.00 1.00 H new ATOM 0 HD3 PRO A 68 -5.475 -24.587 -16.444 1.00 1.00 H new ATOM 1071 N ASN A 69 -0.681 -23.485 -17.024 1.00 1.00 N ATOM 1072 CA ASN A 69 0.428 -23.159 -17.904 1.00 1.00 C ATOM 1073 C ASN A 69 1.726 -23.136 -17.094 1.00 1.00 C ATOM 1074 O ASN A 69 2.791 -23.385 -17.680 1.00 1.00 O ATOM 1075 CB ASN A 69 0.242 -21.778 -18.537 1.00 1.00 C ATOM 1076 CG ASN A 69 0.232 -21.872 -20.064 1.00 1.00 C ATOM 1077 OD1 ASN A 69 -0.646 -21.358 -20.737 1.00 1.00 O ATOM 1078 ND2 ASN A 69 1.254 -22.556 -20.570 1.00 1.00 N ATOM 0 H ASN A 69 -1.072 -22.684 -16.529 1.00 1.00 H new ATOM 0 HA ASN A 69 0.468 -23.914 -18.690 1.00 1.00 H new ATOM 0 HB2 ASN A 69 -0.693 -21.338 -18.190 1.00 1.00 H new ATOM 0 HB3 ASN A 69 1.045 -21.115 -18.215 1.00 1.00 H new ATOM 0 HD21 ASN A 69 1.337 -22.676 -21.579 1.00 1.00 H new ATOM 0 HD22 ASN A 69 1.955 -22.960 -19.949 1.00 1.00 H new ATOM 1085 N GLY A 70 1.615 -22.844 -15.786 1.00 1.00 N ATOM 1086 CA GLY A 70 2.772 -22.790 -14.908 1.00 1.00 C ATOM 1087 C GLY A 70 2.996 -21.347 -14.455 1.00 1.00 C ATOM 1088 O GLY A 70 4.158 -20.915 -14.415 1.00 1.00 O ATOM 0 H GLY A 70 0.728 -22.643 -15.323 1.00 1.00 H new ATOM 0 HA2 GLY A 70 2.617 -23.435 -14.043 1.00 1.00 H new ATOM 0 HA3 GLY A 70 3.655 -23.161 -15.428 1.00 1.00 H new ATOM 1092 N PHE A 71 1.899 -20.641 -14.127 1.00 1.00 N ATOM 1093 CA PHE A 71 1.977 -19.260 -13.682 1.00 1.00 C ATOM 1094 C PHE A 71 2.822 -19.186 -12.409 1.00 1.00 C ATOM 1095 O PHE A 71 2.585 -18.336 -11.552 1.00 1.00 O ATOM 1096 CB PHE A 71 0.553 -18.729 -13.424 1.00 1.00 C ATOM 1097 CG PHE A 71 -0.197 -18.290 -14.674 1.00 1.00 C ATOM 1098 CD1 PHE A 71 -0.232 -19.124 -15.816 1.00 1.00 C ATOM 1099 CD2 PHE A 71 -0.859 -17.041 -14.701 1.00 1.00 C ATOM 1100 CE1 PHE A 71 -0.924 -18.711 -16.975 1.00 1.00 C ATOM 1101 CE2 PHE A 71 -1.551 -16.629 -15.860 1.00 1.00 C ATOM 1102 CZ PHE A 71 -1.584 -17.464 -16.997 1.00 1.00 C ATOM 0 H PHE A 71 0.951 -21.016 -14.166 1.00 1.00 H new ATOM 0 HA PHE A 71 2.447 -18.644 -14.448 1.00 1.00 H new ATOM 0 HB2 PHE A 71 -0.025 -19.506 -12.924 1.00 1.00 H new ATOM 0 HB3 PHE A 71 0.613 -17.885 -12.737 1.00 1.00 H new ATOM 0 HD1 PHE A 71 0.272 -20.079 -15.801 1.00 1.00 H new ATOM 0 HD2 PHE A 71 -0.835 -16.400 -13.832 1.00 1.00 H new ATOM 0 HE1 PHE A 71 -0.948 -19.350 -17.845 1.00 1.00 H new ATOM 0 HE2 PHE A 71 -2.055 -15.674 -15.877 1.00 1.00 H new ATOM 0 HZ PHE A 71 -2.114 -17.149 -17.884 1.00 1.00 H new TER 1112 PHE A 71