USER MOD reduce.3.24.130724 H: found=0, std=0, add=559, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 561 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 VAL N :NH3+ 155:sc= -1.13 (180deg=-2.44!) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc= -6.79! C(o=-6.8!,f=-8.3!) USER MOD Single : A 7 ASN : amide:sc= -0.0186 K(o=-0.019,f=-1.6!) USER MOD Single : A 9 SER OG : rot 18:sc= 0.097 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0.0717 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= -4.73! (180deg=-4.73!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -123:sc= -0.0657 (180deg=-0.583) USER MOD Single : A 34 ASN : amide:sc= -2.49! C(o=-2.5!,f=-6!) USER MOD Single : A 49 SER OG : rot -80:sc= -5.53! USER MOD Single : A 50 ASN : amide:sc= -2.68! K(o=-2.7!,f=-3.8) USER MOD Single : A 52 ASN : amide:sc= -0.0712 X(o=-0.071,f=-0.11) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ -111:sc= 0 (180deg=-0.0339) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=-0.5) USER MOD Single : A 67 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 71 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 82 THR OG1 : rot -160:sc= -0.691 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -1.942 -12.476 -0.276 1.00 0.00 N ATOM 2 CA VAL A 1 -1.015 -12.034 0.807 1.00 0.00 C ATOM 3 C VAL A 1 -1.805 -11.386 1.946 1.00 0.00 C ATOM 4 O VAL A 1 -2.215 -10.246 1.859 1.00 0.00 O ATOM 5 CB VAL A 1 -0.092 -11.011 0.144 1.00 0.00 C ATOM 6 CG1 VAL A 1 0.921 -11.736 -0.745 1.00 0.00 C ATOM 7 CG2 VAL A 1 -0.925 -10.051 -0.708 1.00 0.00 C ATOM 0 H1 VAL A 1 -1.428 -12.514 -1.179 1.00 0.00 H new ATOM 0 H2 VAL A 1 -2.315 -13.420 -0.050 1.00 0.00 H new ATOM 0 H3 VAL A 1 -2.731 -11.802 -0.354 1.00 0.00 H new ATOM 0 HA VAL A 1 -0.458 -12.865 1.240 1.00 0.00 H new ATOM 0 HB VAL A 1 0.438 -10.449 0.912 1.00 0.00 H new ATOM 0 HG11 VAL A 1 1.579 -11.006 -1.217 1.00 0.00 H new ATOM 0 HG12 VAL A 1 1.514 -12.420 -0.138 1.00 0.00 H new ATOM 0 HG13 VAL A 1 0.393 -12.299 -1.514 1.00 0.00 H new ATOM 0 HG21 VAL A 1 -0.268 -9.321 -1.181 1.00 0.00 H new ATOM 0 HG22 VAL A 1 -1.456 -10.613 -1.476 1.00 0.00 H new ATOM 0 HG23 VAL A 1 -1.645 -9.534 -0.074 1.00 0.00 H new ATOM 19 N THR A 2 -2.025 -12.103 3.014 1.00 0.00 N ATOM 20 CA THR A 2 -2.794 -11.525 4.154 1.00 0.00 C ATOM 21 C THR A 2 -1.953 -11.544 5.434 1.00 0.00 C ATOM 22 O THR A 2 -1.123 -12.410 5.630 1.00 0.00 O ATOM 23 CB THR A 2 -4.015 -12.431 4.306 1.00 0.00 C ATOM 24 OG1 THR A 2 -4.676 -12.549 3.054 1.00 0.00 O ATOM 25 CG2 THR A 2 -4.972 -11.832 5.337 1.00 0.00 C ATOM 0 H THR A 2 -1.706 -13.063 3.147 1.00 0.00 H new ATOM 0 HA THR A 2 -3.072 -10.486 3.975 1.00 0.00 H new ATOM 0 HB THR A 2 -3.695 -13.418 4.641 1.00 0.00 H new ATOM 0 HG1 THR A 2 -5.458 -13.131 3.151 1.00 0.00 H new ATOM 0 HG21 THR A 2 -5.843 -12.479 5.445 1.00 0.00 H new ATOM 0 HG22 THR A 2 -4.464 -11.745 6.297 1.00 0.00 H new ATOM 0 HG23 THR A 2 -5.293 -10.845 5.005 1.00 0.00 H new ATOM 33 N VAL A 3 -2.168 -10.600 6.309 1.00 0.00 N ATOM 34 CA VAL A 3 -1.392 -10.567 7.581 1.00 0.00 C ATOM 35 C VAL A 3 -2.086 -11.438 8.632 1.00 0.00 C ATOM 36 O VAL A 3 -3.216 -11.191 9.003 1.00 0.00 O ATOM 37 CB VAL A 3 -1.392 -9.100 8.010 1.00 0.00 C ATOM 38 CG1 VAL A 3 -0.679 -8.961 9.357 1.00 0.00 C ATOM 39 CG2 VAL A 3 -0.662 -8.260 6.959 1.00 0.00 C ATOM 0 H VAL A 3 -2.849 -9.849 6.198 1.00 0.00 H new ATOM 0 HA VAL A 3 -0.379 -10.951 7.463 1.00 0.00 H new ATOM 0 HB VAL A 3 -2.420 -8.751 8.105 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -0.679 -7.915 9.663 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -1.198 -9.558 10.107 1.00 0.00 H new ATOM 0 HG13 VAL A 3 0.349 -9.311 9.262 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -0.662 -7.214 7.265 1.00 0.00 H new ATOM 0 HG22 VAL A 3 0.366 -8.610 6.863 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -1.169 -8.357 5.999 1.00 0.00 H new ATOM 49 N GLN A 4 -1.429 -12.461 9.104 1.00 0.00 N ATOM 50 CA GLN A 4 -2.070 -13.347 10.118 1.00 0.00 C ATOM 51 C GLN A 4 -1.387 -13.206 11.481 1.00 0.00 C ATOM 52 O GLN A 4 -0.197 -12.972 11.574 1.00 0.00 O ATOM 53 CB GLN A 4 -1.885 -14.764 9.574 1.00 0.00 C ATOM 54 CG GLN A 4 -0.400 -15.130 9.597 1.00 0.00 C ATOM 55 CD GLN A 4 -0.239 -16.623 9.304 1.00 0.00 C ATOM 56 OE1 GLN A 4 -1.194 -17.371 9.354 1.00 0.00 O ATOM 57 NE2 GLN A 4 0.940 -17.091 8.998 1.00 0.00 N ATOM 0 H GLN A 4 -0.481 -12.722 8.834 1.00 0.00 H new ATOM 0 HA GLN A 4 -3.119 -13.094 10.271 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -2.454 -15.473 10.175 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -2.270 -14.827 8.556 1.00 0.00 H new ATOM 0 HG2 GLN A 4 0.142 -14.542 8.856 1.00 0.00 H new ATOM 0 HG3 GLN A 4 0.030 -14.891 10.570 1.00 0.00 H new ATOM 0 HE21 GLN A 4 1.743 -16.463 8.956 1.00 0.00 H new ATOM 0 HE22 GLN A 4 1.059 -18.085 8.801 1.00 0.00 H new ATOM 66 N ASP A 5 -2.135 -13.359 12.539 1.00 0.00 N ATOM 67 CA ASP A 5 -1.543 -13.250 13.902 1.00 0.00 C ATOM 68 C ASP A 5 -1.558 -14.620 14.584 1.00 0.00 C ATOM 69 O ASP A 5 -1.330 -14.740 15.772 1.00 0.00 O ATOM 70 CB ASP A 5 -2.444 -12.267 14.651 1.00 0.00 C ATOM 71 CG ASP A 5 -2.290 -10.871 14.045 1.00 0.00 C ATOM 72 OD1 ASP A 5 -1.377 -10.686 13.256 1.00 0.00 O ATOM 73 OD2 ASP A 5 -3.087 -10.011 14.379 1.00 0.00 O ATOM 0 H ASP A 5 -3.136 -13.556 12.518 1.00 0.00 H new ATOM 0 HA ASP A 5 -0.507 -12.911 13.881 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -3.483 -12.590 14.589 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -2.179 -12.247 15.708 1.00 0.00 H new ATOM 78 N GLY A 6 -1.827 -15.654 13.835 1.00 0.00 N ATOM 79 CA GLY A 6 -1.862 -17.021 14.424 1.00 0.00 C ATOM 80 C GLY A 6 -2.343 -18.012 13.362 1.00 0.00 C ATOM 81 O GLY A 6 -1.841 -18.043 12.256 1.00 0.00 O ATOM 0 H GLY A 6 -2.025 -15.610 12.835 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -0.871 -17.303 14.780 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -2.528 -17.042 15.287 1.00 0.00 H new ATOM 85 N ASN A 7 -3.313 -18.821 13.687 1.00 0.00 N ATOM 86 CA ASN A 7 -3.824 -19.807 12.692 1.00 0.00 C ATOM 87 C ASN A 7 -4.842 -19.140 11.763 1.00 0.00 C ATOM 88 O ASN A 7 -5.460 -19.785 10.938 1.00 0.00 O ATOM 89 CB ASN A 7 -4.492 -20.900 13.525 1.00 0.00 C ATOM 90 CG ASN A 7 -3.444 -21.587 14.402 1.00 0.00 C ATOM 91 OD1 ASN A 7 -2.258 -21.438 14.181 1.00 0.00 O ATOM 92 ND2 ASN A 7 -3.832 -22.337 15.396 1.00 0.00 N ATOM 0 H ASN A 7 -3.774 -18.843 14.597 1.00 0.00 H new ATOM 0 HA ASN A 7 -3.031 -20.206 12.059 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -5.276 -20.469 14.147 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -4.969 -21.630 12.871 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -3.140 -22.798 15.987 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -4.827 -22.462 15.582 1.00 0.00 H new ATOM 99 N PHE A 8 -5.023 -17.853 11.889 1.00 0.00 N ATOM 100 CA PHE A 8 -6.002 -17.145 11.014 1.00 0.00 C ATOM 101 C PHE A 8 -5.325 -15.969 10.303 1.00 0.00 C ATOM 102 O PHE A 8 -4.431 -15.341 10.834 1.00 0.00 O ATOM 103 CB PHE A 8 -7.090 -16.646 11.965 1.00 0.00 C ATOM 104 CG PHE A 8 -7.714 -17.825 12.674 1.00 0.00 C ATOM 105 CD1 PHE A 8 -7.157 -18.298 13.869 1.00 0.00 C ATOM 106 CD2 PHE A 8 -8.847 -18.447 12.136 1.00 0.00 C ATOM 107 CE1 PHE A 8 -7.735 -19.391 14.526 1.00 0.00 C ATOM 108 CE2 PHE A 8 -9.424 -19.540 12.794 1.00 0.00 C ATOM 109 CZ PHE A 8 -8.868 -20.012 13.988 1.00 0.00 C ATOM 0 H PHE A 8 -4.535 -17.261 12.561 1.00 0.00 H new ATOM 0 HA PHE A 8 -6.406 -17.792 10.236 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -6.664 -15.954 12.692 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -7.850 -16.097 11.410 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -6.282 -17.820 14.284 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -9.276 -18.084 11.214 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -7.306 -19.755 15.448 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -10.299 -20.019 12.380 1.00 0.00 H new ATOM 0 HZ PHE A 8 -9.313 -20.856 14.495 1.00 0.00 H new ATOM 119 N SER A 9 -5.744 -15.666 9.105 1.00 0.00 N ATOM 120 CA SER A 9 -5.124 -14.531 8.361 1.00 0.00 C ATOM 121 C SER A 9 -6.025 -13.294 8.439 1.00 0.00 C ATOM 122 O SER A 9 -7.229 -13.381 8.295 1.00 0.00 O ATOM 123 CB SER A 9 -5.007 -15.021 6.917 1.00 0.00 C ATOM 124 OG SER A 9 -6.305 -15.224 6.379 1.00 0.00 O ATOM 0 H SER A 9 -6.489 -16.155 8.608 1.00 0.00 H new ATOM 0 HA SER A 9 -4.156 -14.245 8.773 1.00 0.00 H new ATOM 0 HB2 SER A 9 -4.463 -14.291 6.317 1.00 0.00 H new ATOM 0 HB3 SER A 9 -4.438 -15.950 6.882 1.00 0.00 H new ATOM 0 HG SER A 9 -6.964 -14.749 6.927 1.00 0.00 H new ATOM 130 N PHE A 10 -5.453 -12.145 8.670 1.00 0.00 N ATOM 131 CA PHE A 10 -6.278 -10.906 8.761 1.00 0.00 C ATOM 132 C PHE A 10 -5.825 -9.883 7.714 1.00 0.00 C ATOM 133 O PHE A 10 -4.648 -9.617 7.560 1.00 0.00 O ATOM 134 CB PHE A 10 -6.032 -10.371 10.172 1.00 0.00 C ATOM 135 CG PHE A 10 -6.458 -11.407 11.184 1.00 0.00 C ATOM 136 CD1 PHE A 10 -7.573 -12.216 10.934 1.00 0.00 C ATOM 137 CD2 PHE A 10 -5.738 -11.558 12.376 1.00 0.00 C ATOM 138 CE1 PHE A 10 -7.968 -13.174 11.875 1.00 0.00 C ATOM 139 CE2 PHE A 10 -6.133 -12.516 13.317 1.00 0.00 C ATOM 140 CZ PHE A 10 -7.249 -13.324 13.067 1.00 0.00 C ATOM 0 H PHE A 10 -4.450 -12.010 8.800 1.00 0.00 H new ATOM 0 HA PHE A 10 -7.334 -11.101 8.574 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -4.977 -10.132 10.303 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -6.590 -9.447 10.325 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -8.128 -12.101 10.015 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -4.877 -10.935 12.569 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -8.828 -13.798 11.681 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -5.577 -12.632 14.236 1.00 0.00 H new ATOM 0 HZ PHE A 10 -7.555 -14.062 13.793 1.00 0.00 H new ATOM 150 N SER A 11 -6.749 -9.309 6.992 1.00 0.00 N ATOM 151 CA SER A 11 -6.373 -8.306 5.955 1.00 0.00 C ATOM 152 C SER A 11 -5.899 -7.008 6.618 1.00 0.00 C ATOM 153 O SER A 11 -6.080 -6.802 7.802 1.00 0.00 O ATOM 154 CB SER A 11 -7.655 -8.064 5.158 1.00 0.00 C ATOM 155 OG SER A 11 -7.377 -7.201 4.065 1.00 0.00 O ATOM 0 H SER A 11 -7.749 -9.492 7.076 1.00 0.00 H new ATOM 0 HA SER A 11 -5.557 -8.653 5.321 1.00 0.00 H new ATOM 0 HB2 SER A 11 -8.054 -9.011 4.795 1.00 0.00 H new ATOM 0 HB3 SER A 11 -8.417 -7.622 5.800 1.00 0.00 H new ATOM 0 HG SER A 11 -8.198 -7.047 3.553 1.00 0.00 H new ATOM 161 N LEU A 12 -5.289 -6.136 5.864 1.00 0.00 N ATOM 162 CA LEU A 12 -4.797 -4.853 6.447 1.00 0.00 C ATOM 163 C LEU A 12 -5.805 -3.729 6.191 1.00 0.00 C ATOM 164 O LEU A 12 -5.685 -2.642 6.718 1.00 0.00 O ATOM 165 CB LEU A 12 -3.484 -4.567 5.715 1.00 0.00 C ATOM 166 CG LEU A 12 -2.475 -5.679 6.010 1.00 0.00 C ATOM 167 CD1 LEU A 12 -2.854 -6.935 5.225 1.00 0.00 C ATOM 168 CD2 LEU A 12 -1.077 -5.221 5.593 1.00 0.00 C ATOM 0 H LEU A 12 -5.109 -6.255 4.867 1.00 0.00 H new ATOM 0 HA LEU A 12 -4.662 -4.917 7.527 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.662 -4.500 4.642 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.082 -3.605 6.032 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.483 -5.902 7.077 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -2.135 -7.727 5.436 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.851 -7.262 5.521 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.847 -6.713 4.158 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.357 -6.012 5.803 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.070 -4.998 4.526 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.805 -4.326 6.153 1.00 0.00 H new ATOM 180 N GLU A 13 -6.791 -3.983 5.377 1.00 0.00 N ATOM 181 CA GLU A 13 -7.803 -2.929 5.076 1.00 0.00 C ATOM 182 C GLU A 13 -8.646 -2.617 6.316 1.00 0.00 C ATOM 183 O GLU A 13 -8.520 -1.569 6.915 1.00 0.00 O ATOM 184 CB GLU A 13 -8.675 -3.520 3.968 1.00 0.00 C ATOM 185 CG GLU A 13 -9.657 -2.457 3.473 1.00 0.00 C ATOM 186 CD GLU A 13 -10.605 -3.076 2.443 1.00 0.00 C ATOM 187 OE1 GLU A 13 -10.471 -4.259 2.178 1.00 0.00 O ATOM 188 OE2 GLU A 13 -11.449 -2.354 1.937 1.00 0.00 O ATOM 0 H GLU A 13 -6.941 -4.875 4.906 1.00 0.00 H new ATOM 0 HA GLU A 13 -7.337 -1.991 4.774 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -8.051 -3.866 3.144 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -9.219 -4.387 4.342 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -10.226 -2.055 4.311 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -9.113 -1.624 3.028 1.00 0.00 H new ATOM 195 N SER A 14 -9.510 -3.517 6.705 1.00 0.00 N ATOM 196 CA SER A 14 -10.363 -3.261 7.903 1.00 0.00 C ATOM 197 C SER A 14 -9.516 -2.716 9.057 1.00 0.00 C ATOM 198 O SER A 14 -9.873 -1.745 9.699 1.00 0.00 O ATOM 199 CB SER A 14 -10.955 -4.622 8.272 1.00 0.00 C ATOM 200 OG SER A 14 -11.443 -5.260 7.101 1.00 0.00 O ATOM 0 H SER A 14 -9.662 -4.416 6.247 1.00 0.00 H new ATOM 0 HA SER A 14 -11.137 -2.520 7.701 1.00 0.00 H new ATOM 0 HB2 SER A 14 -10.196 -5.243 8.748 1.00 0.00 H new ATOM 0 HB3 SER A 14 -11.762 -4.496 8.993 1.00 0.00 H new ATOM 0 HG SER A 14 -11.821 -6.133 7.337 1.00 0.00 H new ATOM 206 N VAL A 15 -8.394 -3.324 9.325 1.00 0.00 N ATOM 207 CA VAL A 15 -7.533 -2.830 10.436 1.00 0.00 C ATOM 208 C VAL A 15 -7.051 -1.412 10.131 1.00 0.00 C ATOM 209 O VAL A 15 -7.203 -0.511 10.932 1.00 0.00 O ATOM 210 CB VAL A 15 -6.365 -3.810 10.498 1.00 0.00 C ATOM 211 CG1 VAL A 15 -5.270 -3.246 11.405 1.00 0.00 C ATOM 212 CG2 VAL A 15 -6.863 -5.142 11.061 1.00 0.00 C ATOM 0 H VAL A 15 -8.037 -4.138 8.825 1.00 0.00 H new ATOM 0 HA VAL A 15 -8.062 -2.782 11.388 1.00 0.00 H new ATOM 0 HB VAL A 15 -5.958 -3.962 9.499 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -4.436 -3.947 11.448 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -4.922 -2.293 11.006 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -5.670 -3.095 12.408 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -6.035 -5.849 11.109 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -7.266 -4.986 12.062 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -7.644 -5.541 10.414 1.00 0.00 H new ATOM 222 N LYS A 16 -6.488 -1.196 8.974 1.00 0.00 N ATOM 223 CA LYS A 16 -6.023 0.177 8.631 1.00 0.00 C ATOM 224 C LYS A 16 -7.186 1.154 8.802 1.00 0.00 C ATOM 225 O LYS A 16 -7.078 2.156 9.478 1.00 0.00 O ATOM 226 CB LYS A 16 -5.592 0.107 7.165 1.00 0.00 C ATOM 227 CG LYS A 16 -5.140 1.494 6.704 1.00 0.00 C ATOM 228 CD LYS A 16 -4.905 1.481 5.191 1.00 0.00 C ATOM 229 CE LYS A 16 -4.469 2.874 4.730 1.00 0.00 C ATOM 230 NZ LYS A 16 -3.537 2.623 3.594 1.00 0.00 N ATOM 0 H LYS A 16 -6.331 -1.904 8.257 1.00 0.00 H new ATOM 0 HA LYS A 16 -5.206 0.516 9.268 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -4.780 -0.611 7.047 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -6.419 -0.243 6.547 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -5.896 2.237 6.958 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -4.225 1.780 7.222 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -4.141 0.747 4.937 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -5.817 1.184 4.673 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -5.324 3.473 4.416 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -3.975 3.420 5.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -3.192 3.530 3.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -2.730 2.056 3.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -4.037 2.107 2.842 1.00 0.00 H new ATOM 244 N LYS A 17 -8.305 0.854 8.200 1.00 0.00 N ATOM 245 CA LYS A 17 -9.489 1.748 8.331 1.00 0.00 C ATOM 246 C LYS A 17 -10.193 1.484 9.665 1.00 0.00 C ATOM 247 O LYS A 17 -11.251 2.017 9.935 1.00 0.00 O ATOM 248 CB LYS A 17 -10.402 1.375 7.162 1.00 0.00 C ATOM 249 CG LYS A 17 -11.539 2.394 7.057 1.00 0.00 C ATOM 250 CD LYS A 17 -12.484 1.988 5.925 1.00 0.00 C ATOM 251 CE LYS A 17 -13.480 3.120 5.665 1.00 0.00 C ATOM 252 NZ LYS A 17 -12.908 3.871 4.512 1.00 0.00 N ATOM 0 H LYS A 17 -8.450 0.026 7.622 1.00 0.00 H new ATOM 0 HA LYS A 17 -9.217 2.803 8.311 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -9.831 1.354 6.233 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -10.809 0.374 7.309 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -12.084 2.445 8.000 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -11.134 3.388 6.868 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -11.915 1.774 5.020 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -13.016 1.074 6.190 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -14.470 2.730 5.431 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -13.588 3.761 6.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -13.534 4.666 4.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -11.968 4.235 4.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -12.823 3.237 3.692 1.00 0.00 H new ATOM 266 N LEU A 18 -9.609 0.670 10.505 1.00 0.00 N ATOM 267 CA LEU A 18 -10.235 0.374 11.825 1.00 0.00 C ATOM 268 C LEU A 18 -10.360 1.657 12.652 1.00 0.00 C ATOM 269 O LEU A 18 -11.328 1.860 13.357 1.00 0.00 O ATOM 270 CB LEU A 18 -9.268 -0.608 12.489 1.00 0.00 C ATOM 271 CG LEU A 18 -9.850 -1.099 13.815 1.00 0.00 C ATOM 272 CD1 LEU A 18 -11.300 -1.537 13.605 1.00 0.00 C ATOM 273 CD2 LEU A 18 -9.024 -2.286 14.321 1.00 0.00 C ATOM 0 H LEU A 18 -8.722 0.196 10.332 1.00 0.00 H new ATOM 0 HA LEU A 18 -11.241 -0.035 11.733 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -9.085 -1.454 11.827 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -8.307 -0.124 12.661 1.00 0.00 H new ATOM 0 HG LEU A 18 -9.819 -0.294 14.549 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -11.715 -1.887 14.550 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -11.886 -0.693 13.242 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -11.334 -2.344 12.873 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -9.436 -2.639 15.266 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -9.057 -3.091 13.587 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -7.991 -1.973 14.470 1.00 0.00 H new ATOM 285 N LYS A 19 -9.389 2.526 12.574 1.00 0.00 N ATOM 286 CA LYS A 19 -9.460 3.793 13.358 1.00 0.00 C ATOM 287 C LYS A 19 -10.649 4.635 12.888 1.00 0.00 C ATOM 288 O LYS A 19 -11.313 5.282 13.673 1.00 0.00 O ATOM 289 CB LYS A 19 -8.143 4.514 13.068 1.00 0.00 C ATOM 290 CG LYS A 19 -6.973 3.656 13.552 1.00 0.00 C ATOM 291 CD LYS A 19 -5.660 4.404 13.310 1.00 0.00 C ATOM 292 CE LYS A 19 -4.481 3.497 13.672 1.00 0.00 C ATOM 293 NZ LYS A 19 -4.183 2.743 12.422 1.00 0.00 N ATOM 0 H LYS A 19 -8.551 2.414 12.003 1.00 0.00 H new ATOM 0 HA LYS A 19 -9.598 3.613 14.424 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -8.049 4.706 11.999 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -8.129 5.482 13.568 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -7.086 3.432 14.613 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -6.964 2.703 13.024 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -5.590 4.709 12.266 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -5.631 5.313 13.911 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -3.619 4.080 13.998 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -4.737 2.823 14.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -4.241 1.722 12.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -4.874 3.000 11.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -3.225 2.980 12.093 1.00 0.00 H new ATOM 307 N ASP A 20 -10.922 4.629 11.612 1.00 0.00 N ATOM 308 CA ASP A 20 -12.068 5.427 11.089 1.00 0.00 C ATOM 309 C ASP A 20 -13.157 4.494 10.553 1.00 0.00 C ATOM 310 O ASP A 20 -13.052 3.963 9.466 1.00 0.00 O ATOM 311 CB ASP A 20 -11.481 6.273 9.960 1.00 0.00 C ATOM 312 CG ASP A 20 -10.466 7.261 10.539 1.00 0.00 C ATOM 313 OD1 ASP A 20 -10.468 7.444 11.744 1.00 0.00 O ATOM 314 OD2 ASP A 20 -9.706 7.819 9.765 1.00 0.00 O ATOM 0 H ASP A 20 -10.401 4.106 10.908 1.00 0.00 H new ATOM 0 HA ASP A 20 -12.529 6.044 11.860 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -11.000 5.631 9.222 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -12.276 6.812 9.444 1.00 0.00 H new ATOM 319 N LEU A 21 -14.202 4.290 11.308 1.00 0.00 N ATOM 320 CA LEU A 21 -15.294 3.390 10.840 1.00 0.00 C ATOM 321 C LEU A 21 -16.551 4.204 10.522 1.00 0.00 C ATOM 322 O LEU A 21 -16.996 5.013 11.312 1.00 0.00 O ATOM 323 CB LEU A 21 -15.552 2.442 12.011 1.00 0.00 C ATOM 324 CG LEU A 21 -16.579 1.386 11.596 1.00 0.00 C ATOM 325 CD1 LEU A 21 -15.951 0.437 10.573 1.00 0.00 C ATOM 326 CD2 LEU A 21 -17.019 0.590 12.826 1.00 0.00 C ATOM 0 H LEU A 21 -14.347 4.707 12.228 1.00 0.00 H new ATOM 0 HA LEU A 21 -15.026 2.853 9.930 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -14.622 1.961 12.315 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -15.918 3.002 12.872 1.00 0.00 H new ATOM 0 HG LEU A 21 -17.445 1.877 11.152 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -16.682 -0.315 10.277 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -15.638 1.003 9.696 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -15.085 -0.054 11.016 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -17.750 -0.162 12.530 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -16.153 0.099 13.270 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -17.467 1.265 13.555 1.00 0.00 H new ATOM 518 N ARG A 33 -2.381 -0.417 -0.104 1.00 0.00 N ATOM 519 CA ARG A 33 -2.993 0.240 1.088 1.00 0.00 C ATOM 520 C ARG A 33 -1.894 0.748 2.025 1.00 0.00 C ATOM 521 O ARG A 33 -1.309 -0.007 2.776 1.00 0.00 O ATOM 522 CB ARG A 33 -3.816 -0.855 1.768 1.00 0.00 C ATOM 523 CG ARG A 33 -4.866 -1.386 0.789 1.00 0.00 C ATOM 524 CD ARG A 33 -5.709 -2.459 1.480 1.00 0.00 C ATOM 525 NE ARG A 33 -6.471 -3.113 0.379 1.00 0.00 N ATOM 526 CZ ARG A 33 -5.976 -4.157 -0.227 1.00 0.00 C ATOM 527 NH1 ARG A 33 -5.488 -5.146 0.473 1.00 0.00 N ATOM 528 NH2 ARG A 33 -5.969 -4.215 -1.531 1.00 0.00 N ATOM 0 HA ARG A 33 -3.608 1.099 0.819 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -3.164 -1.666 2.094 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -4.302 -0.459 2.660 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -5.504 -0.572 0.446 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -4.379 -1.802 -0.093 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -5.081 -3.177 2.007 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -6.380 -2.020 2.219 1.00 0.00 H new ATOM 0 HE ARG A 33 -7.380 -2.744 0.099 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -5.494 -5.101 1.492 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -5.101 -5.963 0.001 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -6.351 -3.443 -2.078 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -5.582 -5.032 -2.003 1.00 0.00 H new ATOM 542 N ASN A 34 -1.606 2.021 1.987 1.00 0.00 N ATOM 543 CA ASN A 34 -0.542 2.568 2.876 1.00 0.00 C ATOM 544 C ASN A 34 -0.979 3.906 3.479 1.00 0.00 C ATOM 545 O ASN A 34 -1.808 4.605 2.931 1.00 0.00 O ATOM 546 CB ASN A 34 0.672 2.761 1.966 1.00 0.00 C ATOM 547 CG ASN A 34 0.446 3.976 1.065 1.00 0.00 C ATOM 548 OD1 ASN A 34 -0.671 4.426 0.901 1.00 0.00 O ATOM 549 ND2 ASN A 34 1.466 4.530 0.469 1.00 0.00 N ATOM 0 H ASN A 34 -2.060 2.704 1.381 1.00 0.00 H new ATOM 0 HA ASN A 34 -0.326 1.904 3.713 1.00 0.00 H new ATOM 0 HB2 ASN A 34 1.571 2.902 2.566 1.00 0.00 H new ATOM 0 HB3 ASN A 34 0.830 1.869 1.359 1.00 0.00 H new ATOM 0 HD21 ASN A 34 1.326 5.340 -0.134 1.00 0.00 H new ATOM 0 HD22 ASN A 34 2.404 4.153 0.606 1.00 0.00 H new ATOM 619 N PRO A 39 0.599 3.245 15.590 1.00 0.00 N ATOM 620 CA PRO A 39 0.286 2.159 16.549 1.00 0.00 C ATOM 621 C PRO A 39 0.340 2.675 17.991 1.00 0.00 C ATOM 622 O PRO A 39 1.117 3.551 18.318 1.00 0.00 O ATOM 623 CB PRO A 39 1.404 1.146 16.285 1.00 0.00 C ATOM 624 CG PRO A 39 2.321 1.699 15.175 1.00 0.00 C ATOM 625 CD PRO A 39 1.781 3.060 14.719 1.00 0.00 C ATOM 0 HA PRO A 39 -0.713 1.741 16.425 1.00 0.00 H new ATOM 0 HB2 PRO A 39 1.977 0.970 17.195 1.00 0.00 H new ATOM 0 HB3 PRO A 39 0.982 0.187 15.984 1.00 0.00 H new ATOM 0 HG2 PRO A 39 3.341 1.803 15.545 1.00 0.00 H new ATOM 0 HG3 PRO A 39 2.356 1.006 14.334 1.00 0.00 H new ATOM 0 HD2 PRO A 39 2.515 3.854 14.857 1.00 0.00 H new ATOM 0 HD3 PRO A 39 1.510 3.056 13.663 1.00 0.00 H new ATOM 633 N GLY A 40 -0.479 2.137 18.854 1.00 0.00 N ATOM 634 CA GLY A 40 -0.472 2.595 20.271 1.00 0.00 C ATOM 635 C GLY A 40 -1.888 3.000 20.686 1.00 0.00 C ATOM 636 O GLY A 40 -2.079 3.891 21.490 1.00 0.00 O ATOM 0 H GLY A 40 -1.152 1.401 18.638 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -0.106 1.799 20.919 1.00 0.00 H new ATOM 0 HA3 GLY A 40 0.208 3.439 20.388 1.00 0.00 H new ATOM 640 N GLU A 41 -2.882 2.351 20.145 1.00 0.00 N ATOM 641 CA GLU A 41 -4.286 2.699 20.509 1.00 0.00 C ATOM 642 C GLU A 41 -5.011 1.469 21.065 1.00 0.00 C ATOM 643 O GLU A 41 -5.822 0.870 20.388 1.00 0.00 O ATOM 644 CB GLU A 41 -4.932 3.158 19.202 1.00 0.00 C ATOM 645 CG GLU A 41 -5.183 4.666 19.258 1.00 0.00 C ATOM 646 CD GLU A 41 -4.619 5.324 17.998 1.00 0.00 C ATOM 647 OE1 GLU A 41 -3.458 5.698 18.018 1.00 0.00 O ATOM 648 OE2 GLU A 41 -5.358 5.443 17.034 1.00 0.00 O ATOM 0 H GLU A 41 -2.784 1.595 19.467 1.00 0.00 H new ATOM 0 HA GLU A 41 -4.334 3.469 21.279 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -4.283 2.918 18.360 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -5.871 2.628 19.043 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -6.252 4.865 19.338 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -4.713 5.091 20.145 1.00 0.00 H new ATOM 655 N PRO A 42 -4.691 1.131 22.287 1.00 0.00 N ATOM 656 CA PRO A 42 -5.314 -0.038 22.950 1.00 0.00 C ATOM 657 C PRO A 42 -6.827 0.157 23.088 1.00 0.00 C ATOM 658 O PRO A 42 -7.292 1.193 23.522 1.00 0.00 O ATOM 659 CB PRO A 42 -4.634 -0.048 24.322 1.00 0.00 C ATOM 660 CG PRO A 42 -3.641 1.129 24.391 1.00 0.00 C ATOM 661 CD PRO A 42 -3.692 1.900 23.066 1.00 0.00 C ATOM 0 HA PRO A 42 -5.188 -0.970 22.399 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -5.379 0.039 25.113 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -4.112 -0.992 24.478 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -3.895 1.788 25.221 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -2.632 0.760 24.574 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -4.000 2.936 23.210 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -2.721 1.922 22.571 1.00 0.00 H new ATOM 669 N VAL A 43 -7.595 -0.833 22.724 1.00 0.00 N ATOM 670 CA VAL A 43 -9.077 -0.712 22.834 1.00 0.00 C ATOM 671 C VAL A 43 -9.746 -1.992 22.327 1.00 0.00 C ATOM 672 O VAL A 43 -10.165 -2.076 21.189 1.00 0.00 O ATOM 673 CB VAL A 43 -9.449 0.476 21.947 1.00 0.00 C ATOM 674 CG1 VAL A 43 -8.907 0.248 20.534 1.00 0.00 C ATOM 675 CG2 VAL A 43 -10.972 0.614 21.890 1.00 0.00 C ATOM 0 H VAL A 43 -7.260 -1.723 22.354 1.00 0.00 H new ATOM 0 HA VAL A 43 -9.405 -0.566 23.863 1.00 0.00 H new ATOM 0 HB VAL A 43 -9.016 1.386 22.361 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -9.172 1.095 19.901 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -7.822 0.149 20.572 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -9.340 -0.663 20.121 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -11.237 1.461 21.257 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -11.405 -0.297 21.477 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -11.361 0.776 22.895 1.00 0.00 H new ATOM 685 N VAL A 44 -9.843 -2.992 23.159 1.00 0.00 N ATOM 686 CA VAL A 44 -10.478 -4.268 22.720 1.00 0.00 C ATOM 687 C VAL A 44 -11.549 -4.707 23.724 1.00 0.00 C ATOM 688 O VAL A 44 -11.395 -5.707 24.397 1.00 0.00 O ATOM 689 CB VAL A 44 -9.334 -5.282 22.678 1.00 0.00 C ATOM 690 CG1 VAL A 44 -9.908 -6.696 22.580 1.00 0.00 C ATOM 691 CG2 VAL A 44 -8.451 -5.005 21.460 1.00 0.00 C ATOM 0 H VAL A 44 -9.511 -2.982 24.123 1.00 0.00 H new ATOM 0 HA VAL A 44 -10.975 -4.170 21.755 1.00 0.00 H new ATOM 0 HB VAL A 44 -8.738 -5.194 23.587 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -9.092 -7.418 22.550 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -10.537 -6.894 23.448 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -10.505 -6.784 21.672 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -7.636 -5.728 21.430 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -9.047 -5.092 20.551 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -8.041 -3.998 21.530 1.00 0.00 H new ATOM 753 N CYS A 48 -16.106 -5.411 21.367 1.00 0.00 N ATOM 754 CA CYS A 48 -15.374 -4.815 20.211 1.00 0.00 C ATOM 755 C CYS A 48 -15.756 -3.340 20.054 1.00 0.00 C ATOM 756 O CYS A 48 -16.909 -3.003 19.875 1.00 0.00 O ATOM 757 CB CYS A 48 -15.824 -5.625 18.996 1.00 0.00 C ATOM 758 SG CYS A 48 -14.626 -6.946 18.679 1.00 0.00 S ATOM 0 HA CYS A 48 -14.292 -4.850 20.340 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -16.812 -6.050 19.173 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -15.907 -4.977 18.123 1.00 0.00 H new ATOM 763 N SER A 49 -14.797 -2.459 20.127 1.00 0.00 N ATOM 764 CA SER A 49 -15.105 -1.007 19.990 1.00 0.00 C ATOM 765 C SER A 49 -15.740 -0.716 18.630 1.00 0.00 C ATOM 766 O SER A 49 -16.793 -0.121 18.544 1.00 0.00 O ATOM 767 CB SER A 49 -13.754 -0.303 20.113 1.00 0.00 C ATOM 768 OG SER A 49 -13.144 -0.666 21.342 1.00 0.00 O ATOM 0 H SER A 49 -13.813 -2.682 20.276 1.00 0.00 H new ATOM 0 HA SER A 49 -15.815 -0.667 20.744 1.00 0.00 H new ATOM 0 HB2 SER A 49 -13.110 -0.580 19.279 1.00 0.00 H new ATOM 0 HB3 SER A 49 -13.889 0.778 20.066 1.00 0.00 H new ATOM 0 HG SER A 49 -13.533 -0.136 22.069 1.00 0.00 H new ATOM 774 N ASN A 50 -15.105 -1.129 17.571 1.00 0.00 N ATOM 775 CA ASN A 50 -15.666 -0.877 16.212 1.00 0.00 C ATOM 776 C ASN A 50 -16.757 -1.904 15.882 1.00 0.00 C ATOM 777 O ASN A 50 -16.470 -3.072 15.701 1.00 0.00 O ATOM 778 CB ASN A 50 -14.476 -1.040 15.266 1.00 0.00 C ATOM 779 CG ASN A 50 -13.657 0.252 15.252 1.00 0.00 C ATOM 780 OD1 ASN A 50 -13.303 0.773 16.290 1.00 0.00 O ATOM 781 ND2 ASN A 50 -13.340 0.793 14.109 1.00 0.00 N ATOM 0 H ASN A 50 -14.218 -1.632 17.586 1.00 0.00 H new ATOM 0 HA ASN A 50 -16.128 0.107 16.132 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -13.853 -1.875 15.588 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -14.826 -1.273 14.260 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -12.794 1.654 14.086 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -13.638 0.355 13.237 1.00 0.00 H new ATOM 788 N PRO A 51 -17.979 -1.437 15.809 1.00 0.00 N ATOM 789 CA PRO A 51 -19.122 -2.327 15.497 1.00 0.00 C ATOM 790 C PRO A 51 -18.926 -3.009 14.141 1.00 0.00 C ATOM 791 O PRO A 51 -19.622 -3.945 13.800 1.00 0.00 O ATOM 792 CB PRO A 51 -20.306 -1.355 15.459 1.00 0.00 C ATOM 793 CG PRO A 51 -19.789 0.066 15.754 1.00 0.00 C ATOM 794 CD PRO A 51 -18.280 -0.002 16.025 1.00 0.00 C ATOM 0 HA PRO A 51 -19.252 -3.137 16.215 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -20.789 -1.386 14.482 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -21.056 -1.644 16.195 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -19.991 0.724 14.909 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -20.309 0.485 16.616 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -17.717 0.637 15.345 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -18.035 0.316 17.038 1.00 0.00 H new ATOM 802 N ASN A 52 -17.983 -2.549 13.366 1.00 0.00 N ATOM 803 CA ASN A 52 -17.747 -3.174 12.034 1.00 0.00 C ATOM 804 C ASN A 52 -16.246 -3.331 11.781 1.00 0.00 C ATOM 805 O ASN A 52 -15.762 -3.090 10.693 1.00 0.00 O ATOM 806 CB ASN A 52 -18.364 -2.205 11.025 1.00 0.00 C ATOM 807 CG ASN A 52 -18.548 -2.916 9.683 1.00 0.00 C ATOM 808 OD1 ASN A 52 -19.271 -3.888 9.592 1.00 0.00 O ATOM 809 ND2 ASN A 52 -17.921 -2.468 8.631 1.00 0.00 N ATOM 0 H ASN A 52 -17.367 -1.769 13.596 1.00 0.00 H new ATOM 0 HA ASN A 52 -18.186 -4.169 11.962 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -19.325 -1.844 11.392 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -17.721 -1.333 10.902 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -18.037 -2.934 7.731 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -17.314 -1.652 8.708 1.00 0.00 H new ATOM 816 N PHE A 53 -15.507 -3.745 12.774 1.00 0.00 N ATOM 817 CA PHE A 53 -14.039 -3.929 12.579 1.00 0.00 C ATOM 818 C PHE A 53 -13.783 -5.266 11.882 1.00 0.00 C ATOM 819 O PHE A 53 -14.717 -5.971 11.553 1.00 0.00 O ATOM 820 CB PHE A 53 -13.447 -3.921 13.994 1.00 0.00 C ATOM 821 CG PHE A 53 -13.441 -5.323 14.564 1.00 0.00 C ATOM 822 CD1 PHE A 53 -14.650 -5.999 14.772 1.00 0.00 C ATOM 823 CD2 PHE A 53 -12.227 -5.946 14.885 1.00 0.00 C ATOM 824 CE1 PHE A 53 -14.644 -7.296 15.300 1.00 0.00 C ATOM 825 CE2 PHE A 53 -12.223 -7.243 15.414 1.00 0.00 C ATOM 826 CZ PHE A 53 -13.432 -7.917 15.621 1.00 0.00 C ATOM 0 H PHE A 53 -15.853 -3.963 13.708 1.00 0.00 H new ATOM 0 HA PHE A 53 -13.591 -3.153 11.958 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -12.431 -3.526 13.969 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -14.030 -3.261 14.637 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -15.586 -5.520 14.525 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -11.294 -5.426 14.724 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -15.576 -7.818 15.460 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -11.288 -7.723 15.662 1.00 0.00 H new ATOM 0 HZ PHE A 53 -13.429 -8.917 16.029 1.00 0.00 H new ATOM 836 N PRO A 54 -12.532 -5.585 11.689 1.00 0.00 N ATOM 837 CA PRO A 54 -12.175 -6.865 11.040 1.00 0.00 C ATOM 838 C PRO A 54 -12.765 -8.030 11.838 1.00 0.00 C ATOM 839 O PRO A 54 -12.072 -8.725 12.552 1.00 0.00 O ATOM 840 CB PRO A 54 -10.643 -6.849 11.087 1.00 0.00 C ATOM 841 CG PRO A 54 -10.182 -5.532 11.743 1.00 0.00 C ATOM 842 CD PRO A 54 -11.418 -4.701 12.104 1.00 0.00 C ATOM 0 HA PRO A 54 -12.556 -6.982 10.026 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -10.273 -7.703 11.654 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -10.233 -6.933 10.080 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -9.594 -5.741 12.636 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -9.539 -4.976 11.061 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -11.456 -4.473 13.169 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -11.436 -3.749 11.573 1.00 0.00 H new ATOM 850 N GLU A 55 -14.051 -8.232 11.730 1.00 0.00 N ATOM 851 CA GLU A 55 -14.707 -9.337 12.486 1.00 0.00 C ATOM 852 C GLU A 55 -13.851 -10.602 12.428 1.00 0.00 C ATOM 853 O GLU A 55 -13.769 -11.348 13.382 1.00 0.00 O ATOM 854 CB GLU A 55 -16.050 -9.550 11.793 1.00 0.00 C ATOM 855 CG GLU A 55 -16.864 -10.584 12.574 1.00 0.00 C ATOM 856 CD GLU A 55 -18.186 -10.848 11.853 1.00 0.00 C ATOM 857 OE1 GLU A 55 -18.379 -10.289 10.786 1.00 0.00 O ATOM 858 OE2 GLU A 55 -18.985 -11.605 12.380 1.00 0.00 O ATOM 0 H GLU A 55 -14.678 -7.676 11.148 1.00 0.00 H new ATOM 0 HA GLU A 55 -14.834 -9.098 13.542 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -16.596 -8.608 11.736 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -15.894 -9.891 10.769 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -16.298 -11.511 12.668 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -17.055 -10.223 13.585 1.00 0.00 H new ATOM 865 N GLU A 56 -13.193 -10.845 11.325 1.00 0.00 N ATOM 866 CA GLU A 56 -12.329 -12.056 11.240 1.00 0.00 C ATOM 867 C GLU A 56 -11.353 -12.050 12.419 1.00 0.00 C ATOM 868 O GLU A 56 -10.777 -13.059 12.779 1.00 0.00 O ATOM 869 CB GLU A 56 -11.585 -11.924 9.911 1.00 0.00 C ATOM 870 CG GLU A 56 -12.591 -11.955 8.757 1.00 0.00 C ATOM 871 CD GLU A 56 -11.841 -11.919 7.423 1.00 0.00 C ATOM 872 OE1 GLU A 56 -10.634 -11.750 7.449 1.00 0.00 O ATOM 873 OE2 GLU A 56 -12.489 -12.060 6.399 1.00 0.00 O ATOM 0 H GLU A 56 -13.216 -10.263 10.488 1.00 0.00 H new ATOM 0 HA GLU A 56 -12.891 -12.989 11.283 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -11.020 -10.992 9.890 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -10.866 -12.736 9.802 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -13.203 -12.855 8.818 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -13.268 -11.104 8.828 1.00 0.00 H new ATOM 880 N LEU A 57 -11.180 -10.908 13.025 1.00 0.00 N ATOM 881 CA LEU A 57 -10.264 -10.796 14.195 1.00 0.00 C ATOM 882 C LEU A 57 -11.081 -10.905 15.482 1.00 0.00 C ATOM 883 O LEU A 57 -10.613 -10.608 16.564 1.00 0.00 O ATOM 884 CB LEU A 57 -9.639 -9.409 14.063 1.00 0.00 C ATOM 885 CG LEU A 57 -8.616 -9.431 12.928 1.00 0.00 C ATOM 886 CD1 LEU A 57 -9.321 -9.727 11.603 1.00 0.00 C ATOM 887 CD2 LEU A 57 -7.913 -8.074 12.845 1.00 0.00 C ATOM 0 H LEU A 57 -11.639 -10.038 12.756 1.00 0.00 H new ATOM 0 HA LEU A 57 -9.505 -11.578 14.225 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -10.410 -8.666 13.860 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -9.158 -9.122 14.998 1.00 0.00 H new ATOM 0 HG LEU A 57 -7.878 -10.209 13.123 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -8.588 -9.742 10.796 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -9.815 -10.697 11.662 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -10.063 -8.954 11.405 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -7.184 -8.091 12.035 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -8.650 -7.294 12.654 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -7.404 -7.870 13.787 1.00 0.00 H new ATOM 899 N LYS A 58 -12.305 -11.331 15.355 1.00 0.00 N ATOM 900 CA LYS A 58 -13.194 -11.475 16.543 1.00 0.00 C ATOM 901 C LYS A 58 -12.434 -12.065 17.734 1.00 0.00 C ATOM 902 O LYS A 58 -12.458 -11.506 18.812 1.00 0.00 O ATOM 903 CB LYS A 58 -14.303 -12.426 16.092 1.00 0.00 C ATOM 904 CG LYS A 58 -15.629 -11.665 16.032 1.00 0.00 C ATOM 905 CD LYS A 58 -16.452 -11.979 17.282 1.00 0.00 C ATOM 906 CE LYS A 58 -17.666 -12.824 16.892 1.00 0.00 C ATOM 907 NZ LYS A 58 -17.593 -14.026 17.770 1.00 0.00 N ATOM 0 H LYS A 58 -12.734 -11.589 14.467 1.00 0.00 H new ATOM 0 HA LYS A 58 -13.582 -10.512 16.875 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -14.065 -12.842 15.113 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -14.383 -13.264 16.784 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -15.443 -10.593 15.965 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -16.183 -11.948 15.137 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -15.841 -12.514 18.008 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -16.777 -11.054 17.759 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -18.595 -12.276 17.048 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -17.633 -13.101 15.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -18.394 -14.656 17.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -16.701 -14.530 17.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -17.634 -13.731 18.766 1.00 0.00 H new ATOM 921 N PRO A 59 -11.781 -13.177 17.509 1.00 0.00 N ATOM 922 CA PRO A 59 -11.016 -13.832 18.593 1.00 0.00 C ATOM 923 C PRO A 59 -10.037 -12.840 19.221 1.00 0.00 C ATOM 924 O PRO A 59 -9.911 -12.761 20.427 1.00 0.00 O ATOM 925 CB PRO A 59 -10.293 -14.964 17.859 1.00 0.00 C ATOM 926 CG PRO A 59 -10.692 -14.918 16.370 1.00 0.00 C ATOM 927 CD PRO A 59 -11.760 -13.831 16.180 1.00 0.00 C ATOM 0 HA PRO A 59 -11.629 -14.194 19.418 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -9.214 -14.855 17.965 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -10.560 -15.928 18.293 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -9.820 -14.704 15.752 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -11.078 -15.887 16.052 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -11.493 -13.133 15.387 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -12.730 -14.254 15.919 1.00 0.00 H new ATOM 935 N LEU A 60 -9.349 -12.076 18.420 1.00 0.00 N ATOM 936 CA LEU A 60 -8.391 -11.089 18.987 1.00 0.00 C ATOM 937 C LEU A 60 -9.135 -10.096 19.882 1.00 0.00 C ATOM 938 O LEU A 60 -8.617 -9.636 20.879 1.00 0.00 O ATOM 939 CB LEU A 60 -7.794 -10.372 17.776 1.00 0.00 C ATOM 940 CG LEU A 60 -7.113 -11.391 16.860 1.00 0.00 C ATOM 941 CD1 LEU A 60 -6.210 -10.657 15.865 1.00 0.00 C ATOM 942 CD2 LEU A 60 -6.272 -12.354 17.699 1.00 0.00 C ATOM 0 H LEU A 60 -9.408 -12.092 17.402 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.622 -11.562 19.598 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -8.577 -9.844 17.231 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -7.073 -9.623 18.103 1.00 0.00 H new ATOM 0 HG LEU A 60 -7.872 -11.954 16.317 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -5.724 -11.382 15.212 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -6.810 -9.973 15.265 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -5.452 -10.093 16.409 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -5.788 -13.079 17.045 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -5.513 -11.794 18.244 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -6.915 -12.877 18.407 1.00 0.00 H new ATOM 954 N CYS A 61 -10.349 -9.763 19.536 1.00 0.00 N ATOM 955 CA CYS A 61 -11.126 -8.800 20.369 1.00 0.00 C ATOM 956 C CYS A 61 -11.432 -9.410 21.739 1.00 0.00 C ATOM 957 O CYS A 61 -11.618 -8.709 22.713 1.00 0.00 O ATOM 958 CB CYS A 61 -12.417 -8.558 19.587 1.00 0.00 C ATOM 959 SG CYS A 61 -13.354 -7.219 20.365 1.00 0.00 S ATOM 0 H CYS A 61 -10.837 -10.116 18.713 1.00 0.00 H new ATOM 0 HA CYS A 61 -10.579 -7.875 20.552 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -12.186 -8.301 18.553 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -13.016 -9.468 19.563 1.00 0.00 H new ATOM 964 N LYS A 62 -11.484 -10.712 21.823 1.00 0.00 N ATOM 965 CA LYS A 62 -11.774 -11.360 23.132 1.00 0.00 C ATOM 966 C LYS A 62 -10.498 -11.996 23.674 1.00 0.00 C ATOM 967 O LYS A 62 -10.533 -12.940 24.439 1.00 0.00 O ATOM 968 CB LYS A 62 -12.822 -12.430 22.823 1.00 0.00 C ATOM 969 CG LYS A 62 -14.101 -11.761 22.318 1.00 0.00 C ATOM 970 CD LYS A 62 -15.195 -12.816 22.144 1.00 0.00 C ATOM 971 CE LYS A 62 -16.429 -12.171 21.512 1.00 0.00 C ATOM 972 NZ LYS A 62 -17.143 -11.521 22.648 1.00 0.00 N ATOM 0 H LYS A 62 -11.338 -11.353 21.043 1.00 0.00 H new ATOM 0 HA LYS A 62 -12.132 -10.655 23.883 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -12.440 -13.122 22.072 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -13.034 -13.015 23.718 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -14.427 -10.997 23.023 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -13.911 -11.259 21.369 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -14.834 -13.629 21.515 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -15.453 -13.251 23.110 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -16.149 -11.442 20.752 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -17.058 -12.915 21.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -18.033 -12.026 22.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -16.544 -11.551 23.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -17.351 -10.531 22.406 1.00 0.00 H new ATOM 986 N GLU A 63 -9.370 -11.486 23.270 1.00 0.00 N ATOM 987 CA GLU A 63 -8.079 -12.056 23.739 1.00 0.00 C ATOM 988 C GLU A 63 -7.373 -11.078 24.680 1.00 0.00 C ATOM 989 O GLU A 63 -7.417 -9.882 24.473 1.00 0.00 O ATOM 990 CB GLU A 63 -7.261 -12.239 22.460 1.00 0.00 C ATOM 991 CG GLU A 63 -7.066 -13.726 22.162 1.00 0.00 C ATOM 992 CD GLU A 63 -8.282 -14.528 22.639 1.00 0.00 C ATOM 993 OE1 GLU A 63 -9.359 -14.303 22.112 1.00 0.00 O ATOM 994 OE2 GLU A 63 -8.113 -15.351 23.523 1.00 0.00 O ATOM 0 H GLU A 63 -9.287 -10.695 22.632 1.00 0.00 H new ATOM 0 HA GLU A 63 -8.211 -12.986 24.292 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -7.768 -11.757 21.624 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -6.291 -11.753 22.568 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -6.922 -13.873 21.092 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -6.166 -14.088 22.658 1.00 0.00 H new ATOM 1001 N PRO A 64 -6.731 -11.621 25.679 1.00 0.00 N ATOM 1002 CA PRO A 64 -5.993 -10.784 26.649 1.00 0.00 C ATOM 1003 C PRO A 64 -4.867 -10.033 25.935 1.00 0.00 C ATOM 1004 O PRO A 64 -4.495 -8.941 26.317 1.00 0.00 O ATOM 1005 CB PRO A 64 -5.437 -11.818 27.632 1.00 0.00 C ATOM 1006 CG PRO A 64 -5.884 -13.222 27.179 1.00 0.00 C ATOM 1007 CD PRO A 64 -6.707 -13.087 25.891 1.00 0.00 C ATOM 0 HA PRO A 64 -6.602 -10.022 27.137 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -4.349 -11.760 27.665 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -5.798 -11.613 28.640 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -5.015 -13.857 27.007 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -6.478 -13.699 27.958 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -6.242 -13.610 25.056 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -7.710 -13.497 26.006 1.00 0.00 H new ATOM 1015 N ASN A 65 -4.319 -10.615 24.900 1.00 0.00 N ATOM 1016 CA ASN A 65 -3.214 -9.936 24.164 1.00 0.00 C ATOM 1017 C ASN A 65 -3.780 -8.991 23.098 1.00 0.00 C ATOM 1018 O ASN A 65 -3.053 -8.258 22.459 1.00 0.00 O ATOM 1019 CB ASN A 65 -2.422 -11.067 23.509 1.00 0.00 C ATOM 1020 CG ASN A 65 -1.888 -12.007 24.590 1.00 0.00 C ATOM 1021 OD1 ASN A 65 -1.490 -11.570 25.651 1.00 0.00 O ATOM 1022 ND2 ASN A 65 -1.860 -13.292 24.364 1.00 0.00 N ATOM 0 H ASN A 65 -4.589 -11.528 24.534 1.00 0.00 H new ATOM 0 HA ASN A 65 -2.594 -9.330 24.824 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -3.058 -11.617 22.816 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -1.596 -10.658 22.927 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -1.504 -13.928 25.078 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -2.194 -13.661 23.473 1.00 0.00 H new ATOM 1029 N ALA A 66 -5.070 -8.999 22.902 1.00 0.00 N ATOM 1030 CA ALA A 66 -5.669 -8.098 21.876 1.00 0.00 C ATOM 1031 C ALA A 66 -5.059 -6.700 21.985 1.00 0.00 C ATOM 1032 O ALA A 66 -4.757 -6.064 20.995 1.00 0.00 O ATOM 1033 CB ALA A 66 -7.161 -8.055 22.202 1.00 0.00 C ATOM 0 H ALA A 66 -5.733 -9.588 23.406 1.00 0.00 H new ATOM 0 HA ALA A 66 -5.485 -8.451 20.861 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -7.671 -7.409 21.487 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -7.576 -9.061 22.142 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -7.302 -7.664 23.210 1.00 0.00 H new ATOM 1039 N GLN A 67 -4.872 -6.217 23.183 1.00 0.00 N ATOM 1040 CA GLN A 67 -4.280 -4.861 23.353 1.00 0.00 C ATOM 1041 C GLN A 67 -2.939 -4.785 22.616 1.00 0.00 C ATOM 1042 O GLN A 67 -2.640 -3.814 21.952 1.00 0.00 O ATOM 1043 CB GLN A 67 -4.081 -4.702 24.860 1.00 0.00 C ATOM 1044 CG GLN A 67 -5.447 -4.594 25.541 1.00 0.00 C ATOM 1045 CD GLN A 67 -5.253 -4.389 27.045 1.00 0.00 C ATOM 1046 OE1 GLN A 67 -4.173 -4.588 27.563 1.00 0.00 O ATOM 1047 NE2 GLN A 67 -6.263 -3.993 27.772 1.00 0.00 N ATOM 0 H GLN A 67 -5.103 -6.702 24.050 1.00 0.00 H new ATOM 0 HA GLN A 67 -4.913 -4.073 22.946 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -3.530 -5.554 25.258 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -3.486 -3.812 25.068 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -6.010 -3.762 25.119 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -6.029 -5.498 25.358 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -7.170 -3.826 27.337 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -6.145 -3.851 28.775 1.00 0.00 H new ATOM 1056 N GLU A 68 -2.136 -5.809 22.720 1.00 0.00 N ATOM 1057 CA GLU A 68 -0.822 -5.799 22.016 1.00 0.00 C ATOM 1058 C GLU A 68 -1.019 -6.161 20.542 1.00 0.00 C ATOM 1059 O GLU A 68 -0.371 -5.622 19.667 1.00 0.00 O ATOM 1060 CB GLU A 68 0.017 -6.862 22.726 1.00 0.00 C ATOM 1061 CG GLU A 68 0.214 -6.461 24.189 1.00 0.00 C ATOM 1062 CD GLU A 68 1.040 -7.530 24.906 1.00 0.00 C ATOM 1063 OE1 GLU A 68 1.251 -8.581 24.321 1.00 0.00 O ATOM 1064 OE2 GLU A 68 1.450 -7.281 26.028 1.00 0.00 O ATOM 0 H GLU A 68 -2.333 -6.651 23.261 1.00 0.00 H new ATOM 0 HA GLU A 68 -0.341 -4.821 22.044 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -0.478 -7.831 22.667 1.00 0.00 H new ATOM 0 HB3 GLU A 68 0.983 -6.967 22.233 1.00 0.00 H new ATOM 0 HG2 GLU A 68 0.719 -5.497 24.248 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -0.753 -6.345 24.678 1.00 0.00 H new ATOM 1071 N ILE A 69 -1.915 -7.070 20.260 1.00 0.00 N ATOM 1072 CA ILE A 69 -2.158 -7.464 18.842 1.00 0.00 C ATOM 1073 C ILE A 69 -2.690 -6.269 18.048 1.00 0.00 C ATOM 1074 O ILE A 69 -2.208 -5.956 16.978 1.00 0.00 O ATOM 1075 CB ILE A 69 -3.213 -8.570 18.909 1.00 0.00 C ATOM 1076 CG1 ILE A 69 -2.669 -9.750 19.716 1.00 0.00 C ATOM 1077 CG2 ILE A 69 -3.552 -9.034 17.491 1.00 0.00 C ATOM 1078 CD1 ILE A 69 -3.806 -10.728 20.022 1.00 0.00 C ATOM 0 H ILE A 69 -2.488 -7.556 20.950 1.00 0.00 H new ATOM 0 HA ILE A 69 -1.247 -7.800 18.347 1.00 0.00 H new ATOM 0 HB ILE A 69 -4.111 -8.186 19.392 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -1.882 -10.255 19.156 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -2.222 -9.394 20.644 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -4.304 -9.822 17.536 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -3.941 -8.194 16.917 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -2.653 -9.417 17.009 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -3.418 -11.569 20.597 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -4.578 -10.219 20.599 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -4.233 -11.094 19.088 1.00 0.00 H new ATOM 1090 N LEU A 70 -3.685 -5.601 18.565 1.00 0.00 N ATOM 1091 CA LEU A 70 -4.255 -4.427 17.846 1.00 0.00 C ATOM 1092 C LEU A 70 -3.139 -3.481 17.391 1.00 0.00 C ATOM 1093 O LEU A 70 -2.964 -3.235 16.215 1.00 0.00 O ATOM 1094 CB LEU A 70 -5.160 -3.737 18.870 1.00 0.00 C ATOM 1095 CG LEU A 70 -5.609 -2.374 18.334 1.00 0.00 C ATOM 1096 CD1 LEU A 70 -4.497 -1.346 18.560 1.00 0.00 C ATOM 1097 CD2 LEU A 70 -5.907 -2.482 16.836 1.00 0.00 C ATOM 0 H LEU A 70 -4.129 -5.819 19.457 1.00 0.00 H new ATOM 0 HA LEU A 70 -4.800 -4.721 16.949 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -6.030 -4.360 19.078 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -4.627 -3.609 19.812 1.00 0.00 H new ATOM 0 HG LEU A 70 -6.510 -2.058 18.859 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -4.816 -0.376 18.179 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -4.287 -1.266 19.627 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -3.596 -1.664 18.036 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -6.226 -1.511 16.458 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -5.008 -2.799 16.308 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -6.700 -3.213 16.674 1.00 0.00 H new ATOM 1109 N GLN A 71 -2.384 -2.949 18.312 1.00 0.00 N ATOM 1110 CA GLN A 71 -1.284 -2.018 17.930 1.00 0.00 C ATOM 1111 C GLN A 71 -0.462 -2.602 16.777 1.00 0.00 C ATOM 1112 O GLN A 71 -0.272 -1.972 15.758 1.00 0.00 O ATOM 1113 CB GLN A 71 -0.426 -1.888 19.189 1.00 0.00 C ATOM 1114 CG GLN A 71 0.694 -0.875 18.947 1.00 0.00 C ATOM 1115 CD GLN A 71 1.507 -0.701 20.231 1.00 0.00 C ATOM 1116 OE1 GLN A 71 1.156 -1.237 21.264 1.00 0.00 O ATOM 1117 NE2 GLN A 71 2.586 0.031 20.212 1.00 0.00 N ATOM 0 H GLN A 71 -2.481 -3.118 19.313 1.00 0.00 H new ATOM 0 HA GLN A 71 -1.661 -1.054 17.588 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -1.042 -1.569 20.030 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -0.002 -2.857 19.454 1.00 0.00 H new ATOM 0 HG2 GLN A 71 1.340 -1.216 18.138 1.00 0.00 H new ATOM 0 HG3 GLN A 71 0.274 0.082 18.637 1.00 0.00 H new ATOM 0 HE21 GLN A 71 2.882 0.481 19.346 1.00 0.00 H new ATOM 0 HE22 GLN A 71 3.134 0.153 21.063 1.00 0.00 H new ATOM 1126 N ARG A 72 0.030 -3.800 16.933 1.00 0.00 N ATOM 1127 CA ARG A 72 0.842 -4.418 15.846 1.00 0.00 C ATOM 1128 C ARG A 72 0.053 -4.416 14.533 1.00 0.00 C ATOM 1129 O ARG A 72 0.523 -3.943 13.517 1.00 0.00 O ATOM 1130 CB ARG A 72 1.110 -5.850 16.313 1.00 0.00 C ATOM 1131 CG ARG A 72 1.995 -5.822 17.562 1.00 0.00 C ATOM 1132 CD ARG A 72 2.427 -7.247 17.919 1.00 0.00 C ATOM 1133 NE ARG A 72 1.164 -8.039 17.933 1.00 0.00 N ATOM 1134 CZ ARG A 72 0.895 -8.866 16.957 1.00 0.00 C ATOM 1135 NH1 ARG A 72 1.550 -8.790 15.831 1.00 0.00 N ATOM 1136 NH2 ARG A 72 -0.034 -9.770 17.109 1.00 0.00 N ATOM 0 H ARG A 72 -0.095 -4.377 17.765 1.00 0.00 H new ATOM 0 HA ARG A 72 1.768 -3.873 15.661 1.00 0.00 H new ATOM 0 HB2 ARG A 72 0.169 -6.355 16.532 1.00 0.00 H new ATOM 0 HB3 ARG A 72 1.599 -6.417 15.521 1.00 0.00 H new ATOM 0 HG2 ARG A 72 2.872 -5.199 17.385 1.00 0.00 H new ATOM 0 HG3 ARG A 72 1.451 -5.377 18.395 1.00 0.00 H new ATOM 0 HD2 ARG A 72 3.132 -7.641 17.187 1.00 0.00 H new ATOM 0 HD3 ARG A 72 2.923 -7.278 18.889 1.00 0.00 H new ATOM 0 HE ARG A 72 0.508 -7.935 18.707 1.00 0.00 H new ATOM 0 HH11 ARG A 72 2.275 -8.083 15.710 1.00 0.00 H new ATOM 0 HH12 ARG A 72 1.337 -9.437 15.072 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -0.548 -9.830 17.988 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -0.246 -10.416 16.349 1.00 0.00 H new ATOM 1150 N LEU A 73 -1.141 -4.940 14.546 1.00 0.00 N ATOM 1151 CA LEU A 73 -1.957 -4.967 13.299 1.00 0.00 C ATOM 1152 C LEU A 73 -1.986 -3.577 12.656 1.00 0.00 C ATOM 1153 O LEU A 73 -1.699 -3.419 11.487 1.00 0.00 O ATOM 1154 CB LEU A 73 -3.358 -5.376 13.752 1.00 0.00 C ATOM 1155 CG LEU A 73 -3.327 -6.813 14.275 1.00 0.00 C ATOM 1156 CD1 LEU A 73 -4.739 -7.235 14.689 1.00 0.00 C ATOM 1157 CD2 LEU A 73 -2.819 -7.746 13.175 1.00 0.00 C ATOM 0 H LEU A 73 -1.587 -5.351 15.366 1.00 0.00 H new ATOM 0 HA LEU A 73 -1.552 -5.653 12.555 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -3.711 -4.701 14.532 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -4.058 -5.296 12.921 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.662 -6.872 15.137 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -4.718 -8.259 15.062 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -5.102 -6.571 15.473 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -5.404 -7.176 13.827 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -2.797 -8.770 13.548 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -3.484 -7.688 12.313 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -1.814 -7.446 12.879 1.00 0.00 H new ATOM 1169 N GLU A 74 -2.332 -2.571 13.412 1.00 0.00 N ATOM 1170 CA GLU A 74 -2.380 -1.194 12.843 1.00 0.00 C ATOM 1171 C GLU A 74 -1.055 -0.857 12.153 1.00 0.00 C ATOM 1172 O GLU A 74 -1.032 -0.335 11.056 1.00 0.00 O ATOM 1173 CB GLU A 74 -2.600 -0.275 14.046 1.00 0.00 C ATOM 1174 CG GLU A 74 -3.891 -0.666 14.765 1.00 0.00 C ATOM 1175 CD GLU A 74 -4.217 0.382 15.831 1.00 0.00 C ATOM 1176 OE1 GLU A 74 -3.359 1.204 16.108 1.00 0.00 O ATOM 1177 OE2 GLU A 74 -5.318 0.344 16.355 1.00 0.00 O ATOM 0 H GLU A 74 -2.583 -2.643 14.398 1.00 0.00 H new ATOM 0 HA GLU A 74 -3.166 -1.087 12.095 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -1.755 -0.348 14.731 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -2.656 0.763 13.717 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -4.710 -0.740 14.050 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -3.780 -1.647 15.226 1.00 0.00 H new ATOM 1184 N GLU A 75 0.048 -1.144 12.790 1.00 0.00 N ATOM 1185 CA GLU A 75 1.371 -0.832 12.176 1.00 0.00 C ATOM 1186 C GLU A 75 1.565 -1.623 10.878 1.00 0.00 C ATOM 1187 O GLU A 75 1.843 -1.064 9.836 1.00 0.00 O ATOM 1188 CB GLU A 75 2.398 -1.262 13.222 1.00 0.00 C ATOM 1189 CG GLU A 75 3.789 -0.786 12.800 1.00 0.00 C ATOM 1190 CD GLU A 75 4.827 -1.299 13.799 1.00 0.00 C ATOM 1191 OE1 GLU A 75 4.432 -1.946 14.756 1.00 0.00 O ATOM 1192 OE2 GLU A 75 6.000 -1.036 13.592 1.00 0.00 O ATOM 0 H GLU A 75 0.090 -1.582 13.710 1.00 0.00 H new ATOM 0 HA GLU A 75 1.463 0.222 11.915 1.00 0.00 H new ATOM 0 HB2 GLU A 75 2.139 -0.844 14.195 1.00 0.00 H new ATOM 0 HB3 GLU A 75 2.391 -2.347 13.329 1.00 0.00 H new ATOM 0 HG2 GLU A 75 4.021 -1.149 11.799 1.00 0.00 H new ATOM 0 HG3 GLU A 75 3.816 0.303 12.758 1.00 0.00 H new ATOM 1199 N ILE A 76 1.424 -2.920 10.933 1.00 0.00 N ATOM 1200 CA ILE A 76 1.605 -3.740 9.701 1.00 0.00 C ATOM 1201 C ILE A 76 0.527 -3.393 8.673 1.00 0.00 C ATOM 1202 O ILE A 76 0.796 -3.249 7.498 1.00 0.00 O ATOM 1203 CB ILE A 76 1.457 -5.189 10.165 1.00 0.00 C ATOM 1204 CG1 ILE A 76 2.491 -5.483 11.253 1.00 0.00 C ATOM 1205 CG2 ILE A 76 1.680 -6.129 8.979 1.00 0.00 C ATOM 1206 CD1 ILE A 76 3.876 -5.051 10.767 1.00 0.00 C ATOM 0 H ILE A 76 1.192 -3.446 11.776 1.00 0.00 H new ATOM 0 HA ILE A 76 2.568 -3.561 9.223 1.00 0.00 H new ATOM 0 HB ILE A 76 0.455 -5.343 10.566 1.00 0.00 H new ATOM 0 HG12 ILE A 76 2.233 -4.952 12.169 1.00 0.00 H new ATOM 0 HG13 ILE A 76 2.492 -6.547 11.491 1.00 0.00 H new ATOM 0 HG21 ILE A 76 1.575 -7.162 9.309 1.00 0.00 H new ATOM 0 HG22 ILE A 76 0.943 -5.919 8.204 1.00 0.00 H new ATOM 0 HG23 ILE A 76 2.682 -5.977 8.577 1.00 0.00 H new ATOM 0 HD11 ILE A 76 4.615 -5.260 11.541 1.00 0.00 H new ATOM 0 HD12 ILE A 76 4.133 -5.602 9.862 1.00 0.00 H new ATOM 0 HD13 ILE A 76 3.869 -3.983 10.551 1.00 0.00 H new ATOM 1218 N ALA A 77 -0.693 -3.257 9.108 1.00 0.00 N ATOM 1219 CA ALA A 77 -1.787 -2.919 8.155 1.00 0.00 C ATOM 1220 C ALA A 77 -1.443 -1.633 7.396 1.00 0.00 C ATOM 1221 O ALA A 77 -1.732 -1.494 6.224 1.00 0.00 O ATOM 1222 CB ALA A 77 -3.024 -2.713 9.030 1.00 0.00 C ATOM 0 H ALA A 77 -0.981 -3.365 10.081 1.00 0.00 H new ATOM 0 HA ALA A 77 -1.943 -3.697 7.408 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -3.877 -2.460 8.400 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -3.238 -3.630 9.579 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -2.840 -1.902 9.735 1.00 0.00 H new ATOM 1228 N GLU A 78 -0.836 -0.690 8.062 1.00 0.00 N ATOM 1229 CA GLU A 78 -0.481 0.594 7.388 1.00 0.00 C ATOM 1230 C GLU A 78 0.556 0.368 6.282 1.00 0.00 C ATOM 1231 O GLU A 78 0.528 1.018 5.259 1.00 0.00 O ATOM 1232 CB GLU A 78 0.103 1.471 8.495 1.00 0.00 C ATOM 1233 CG GLU A 78 -1.020 1.926 9.430 1.00 0.00 C ATOM 1234 CD GLU A 78 -1.790 3.079 8.783 1.00 0.00 C ATOM 1235 OE1 GLU A 78 -1.282 3.644 7.828 1.00 0.00 O ATOM 1236 OE2 GLU A 78 -2.877 3.376 9.252 1.00 0.00 O ATOM 0 H GLU A 78 -0.570 -0.752 9.045 1.00 0.00 H new ATOM 0 HA GLU A 78 -1.347 1.051 6.909 1.00 0.00 H new ATOM 0 HB2 GLU A 78 0.855 0.915 9.055 1.00 0.00 H new ATOM 0 HB3 GLU A 78 0.604 2.337 8.062 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -1.695 1.095 9.636 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -0.605 2.244 10.386 1.00 0.00 H new ATOM 1243 N ASP A 79 1.479 -0.535 6.477 1.00 0.00 N ATOM 1244 CA ASP A 79 2.512 -0.769 5.424 1.00 0.00 C ATOM 1245 C ASP A 79 2.729 -2.270 5.201 1.00 0.00 C ATOM 1246 O ASP A 79 2.588 -3.060 6.112 1.00 0.00 O ATOM 1247 CB ASP A 79 3.785 -0.122 5.969 1.00 0.00 C ATOM 1248 CG ASP A 79 4.402 0.775 4.895 1.00 0.00 C ATOM 1249 OD1 ASP A 79 3.662 1.524 4.280 1.00 0.00 O ATOM 1250 OD2 ASP A 79 5.605 0.700 4.706 1.00 0.00 O ATOM 0 H ASP A 79 1.564 -1.116 7.311 1.00 0.00 H new ATOM 0 HA ASP A 79 2.215 -0.350 4.463 1.00 0.00 H new ATOM 0 HB2 ASP A 79 3.555 0.464 6.859 1.00 0.00 H new ATOM 0 HB3 ASP A 79 4.497 -0.891 6.268 1.00 0.00 H new ATOM 1255 N PRO A 80 3.072 -2.613 3.986 1.00 0.00 N ATOM 1256 CA PRO A 80 3.318 -4.029 3.627 1.00 0.00 C ATOM 1257 C PRO A 80 4.466 -4.604 4.460 1.00 0.00 C ATOM 1258 O PRO A 80 4.267 -5.467 5.291 1.00 0.00 O ATOM 1259 CB PRO A 80 3.704 -3.937 2.147 1.00 0.00 C ATOM 1260 CG PRO A 80 3.661 -2.459 1.713 1.00 0.00 C ATOM 1261 CD PRO A 80 3.230 -1.604 2.912 1.00 0.00 C ATOM 0 HA PRO A 80 2.465 -4.682 3.810 1.00 0.00 H new ATOM 0 HB2 PRO A 80 4.702 -4.347 1.991 1.00 0.00 H new ATOM 0 HB3 PRO A 80 3.018 -4.528 1.541 1.00 0.00 H new ATOM 0 HG2 PRO A 80 4.641 -2.142 1.356 1.00 0.00 H new ATOM 0 HG3 PRO A 80 2.963 -2.329 0.886 1.00 0.00 H new ATOM 0 HD2 PRO A 80 3.980 -0.855 3.166 1.00 0.00 H new ATOM 0 HD3 PRO A 80 2.300 -1.071 2.716 1.00 0.00 H new ATOM 1269 N GLY A 81 5.666 -4.140 4.242 1.00 0.00 N ATOM 1270 CA GLY A 81 6.817 -4.672 5.021 1.00 0.00 C ATOM 1271 C GLY A 81 7.277 -5.985 4.391 1.00 0.00 C ATOM 1272 O GLY A 81 7.328 -6.121 3.185 1.00 0.00 O ATOM 0 H GLY A 81 5.898 -3.418 3.560 1.00 0.00 H new ATOM 0 HA2 GLY A 81 7.634 -3.950 5.027 1.00 0.00 H new ATOM 0 HA3 GLY A 81 6.527 -4.833 6.059 1.00 0.00 H new ATOM 1276 N THR A 82 7.611 -6.956 5.193 1.00 0.00 N ATOM 1277 CA THR A 82 8.062 -8.260 4.633 1.00 0.00 C ATOM 1278 C THR A 82 6.851 -9.094 4.207 1.00 0.00 C ATOM 1279 O THR A 82 6.950 -9.974 3.375 1.00 0.00 O ATOM 1280 CB THR A 82 8.810 -8.944 5.778 1.00 0.00 C ATOM 1281 OG1 THR A 82 7.912 -9.183 6.853 1.00 0.00 O ATOM 1282 CG2 THR A 82 9.951 -8.043 6.254 1.00 0.00 C ATOM 0 H THR A 82 7.591 -6.904 6.211 1.00 0.00 H new ATOM 0 HA THR A 82 8.692 -8.139 3.752 1.00 0.00 H new ATOM 0 HB THR A 82 9.220 -9.892 5.430 1.00 0.00 H new ATOM 0 HG1 THR A 82 8.420 -9.317 7.680 1.00 0.00 H new ATOM 0 HG21 THR A 82 10.484 -8.531 7.070 1.00 0.00 H new ATOM 0 HG22 THR A 82 10.639 -7.861 5.429 1.00 0.00 H new ATOM 0 HG23 THR A 82 9.544 -7.094 6.603 1.00 0.00 H new ATOM 1290 N CYS A 83 5.708 -8.823 4.772 1.00 0.00 N ATOM 1291 CA CYS A 83 4.493 -9.602 4.398 1.00 0.00 C ATOM 1292 C CYS A 83 4.303 -9.574 2.879 1.00 0.00 C ATOM 1293 O CYS A 83 4.174 -10.598 2.239 1.00 0.00 O ATOM 1294 CB CYS A 83 3.334 -8.895 5.101 1.00 0.00 C ATOM 1295 SG CYS A 83 1.867 -9.953 5.061 1.00 0.00 S ATOM 0 H CYS A 83 5.562 -8.098 5.475 1.00 0.00 H new ATOM 0 HA CYS A 83 4.563 -10.649 4.692 1.00 0.00 H new ATOM 0 HB2 CYS A 83 3.604 -8.669 6.133 1.00 0.00 H new ATOM 0 HB3 CYS A 83 3.123 -7.944 4.611 1.00 0.00 H new ATOM 1300 N GLU A 84 4.277 -8.405 2.302 1.00 0.00 N ATOM 1301 CA GLU A 84 4.086 -8.301 0.826 1.00 0.00 C ATOM 1302 C GLU A 84 5.180 -9.067 0.074 1.00 0.00 C ATOM 1303 O GLU A 84 4.949 -9.595 -0.996 1.00 0.00 O ATOM 1304 CB GLU A 84 4.182 -6.806 0.523 1.00 0.00 C ATOM 1305 CG GLU A 84 3.871 -6.566 -0.956 1.00 0.00 C ATOM 1306 CD GLU A 84 4.081 -5.087 -1.287 1.00 0.00 C ATOM 1307 OE1 GLU A 84 4.485 -4.354 -0.401 1.00 0.00 O ATOM 1308 OE2 GLU A 84 3.831 -4.712 -2.422 1.00 0.00 O ATOM 0 H GLU A 84 4.380 -7.515 2.789 1.00 0.00 H new ATOM 0 HA GLU A 84 3.135 -8.730 0.510 1.00 0.00 H new ATOM 0 HB2 GLU A 84 3.482 -6.251 1.148 1.00 0.00 H new ATOM 0 HB3 GLU A 84 5.181 -6.439 0.760 1.00 0.00 H new ATOM 0 HG2 GLU A 84 4.516 -7.185 -1.580 1.00 0.00 H new ATOM 0 HG3 GLU A 84 2.843 -6.856 -1.174 1.00 0.00 H new ATOM 1315 N ILE A 85 6.368 -9.128 0.610 1.00 0.00 N ATOM 1316 CA ILE A 85 7.462 -9.856 -0.098 1.00 0.00 C ATOM 1317 C ILE A 85 7.633 -11.262 0.486 1.00 0.00 C ATOM 1318 O ILE A 85 8.603 -11.941 0.217 1.00 0.00 O ATOM 1319 CB ILE A 85 8.717 -9.013 0.133 1.00 0.00 C ATOM 1320 CG1 ILE A 85 9.167 -9.148 1.588 1.00 0.00 C ATOM 1321 CG2 ILE A 85 8.407 -7.545 -0.169 1.00 0.00 C ATOM 1322 CD1 ILE A 85 10.223 -8.085 1.896 1.00 0.00 C ATOM 0 H ILE A 85 6.629 -8.708 1.502 1.00 0.00 H new ATOM 0 HA ILE A 85 7.252 -9.984 -1.160 1.00 0.00 H new ATOM 0 HB ILE A 85 9.512 -9.362 -0.525 1.00 0.00 H new ATOM 0 HG12 ILE A 85 8.313 -9.032 2.256 1.00 0.00 H new ATOM 0 HG13 ILE A 85 9.576 -10.143 1.763 1.00 0.00 H new ATOM 0 HG21 ILE A 85 9.301 -6.943 -0.005 1.00 0.00 H new ATOM 0 HG22 ILE A 85 8.089 -7.446 -1.207 1.00 0.00 H new ATOM 0 HG23 ILE A 85 7.610 -7.199 0.489 1.00 0.00 H new ATOM 0 HD11 ILE A 85 10.544 -8.181 2.933 1.00 0.00 H new ATOM 0 HD12 ILE A 85 11.080 -8.222 1.237 1.00 0.00 H new ATOM 0 HD13 ILE A 85 9.798 -7.094 1.738 1.00 0.00 H new ATOM 1334 N CYS A 86 6.696 -11.703 1.279 1.00 0.00 N ATOM 1335 CA CYS A 86 6.802 -13.066 1.878 1.00 0.00 C ATOM 1336 C CYS A 86 8.126 -13.220 2.629 1.00 0.00 C ATOM 1337 O CYS A 86 8.542 -14.316 2.953 1.00 0.00 O ATOM 1338 CB CYS A 86 6.748 -14.025 0.687 1.00 0.00 C ATOM 1339 SG CYS A 86 5.433 -15.240 0.950 1.00 0.00 S ATOM 0 H CYS A 86 5.860 -11.179 1.539 1.00 0.00 H new ATOM 0 HA CYS A 86 6.008 -13.260 2.599 1.00 0.00 H new ATOM 0 HB2 CYS A 86 6.566 -13.469 -0.233 1.00 0.00 H new ATOM 0 HB3 CYS A 86 7.707 -14.530 0.570 1.00 0.00 H new ATOM 1344 N ALA A 87 8.794 -12.136 2.913 1.00 0.00 N ATOM 1345 CA ALA A 87 10.088 -12.232 3.645 1.00 0.00 C ATOM 1346 C ALA A 87 9.861 -12.846 5.029 1.00 0.00 C ATOM 1347 O ALA A 87 10.786 -13.270 5.692 1.00 0.00 O ATOM 1348 CB ALA A 87 10.585 -10.792 3.770 1.00 0.00 C ATOM 0 H ALA A 87 8.500 -11.190 2.670 1.00 0.00 H new ATOM 0 HA ALA A 87 10.810 -12.864 3.129 1.00 0.00 H new ATOM 0 HB1 ALA A 87 11.537 -10.781 4.300 1.00 0.00 H new ATOM 0 HB2 ALA A 87 10.718 -10.365 2.776 1.00 0.00 H new ATOM 0 HB3 ALA A 87 9.855 -10.202 4.323 1.00 0.00 H new ATOM 1354 N TYR A 88 8.633 -12.900 5.467 1.00 0.00 N ATOM 1355 CA TYR A 88 8.341 -13.488 6.805 1.00 0.00 C ATOM 1356 C TYR A 88 7.001 -14.232 6.775 1.00 0.00 C ATOM 1357 O TYR A 88 6.287 -14.206 5.793 1.00 0.00 O ATOM 1358 CB TYR A 88 8.272 -12.295 7.758 1.00 0.00 C ATOM 1359 CG TYR A 88 9.662 -11.954 8.241 1.00 0.00 C ATOM 1360 CD1 TYR A 88 10.548 -11.277 7.396 1.00 0.00 C ATOM 1361 CD2 TYR A 88 10.063 -12.316 9.532 1.00 0.00 C ATOM 1362 CE1 TYR A 88 11.836 -10.959 7.842 1.00 0.00 C ATOM 1363 CE2 TYR A 88 11.352 -11.998 9.979 1.00 0.00 C ATOM 1364 CZ TYR A 88 12.238 -11.320 9.133 1.00 0.00 C ATOM 1365 OH TYR A 88 13.508 -11.006 9.573 1.00 0.00 O ATOM 0 H TYR A 88 7.818 -12.562 4.955 1.00 0.00 H new ATOM 0 HA TYR A 88 9.098 -14.210 7.112 1.00 0.00 H new ATOM 0 HB2 TYR A 88 7.831 -11.437 7.251 1.00 0.00 H new ATOM 0 HB3 TYR A 88 7.629 -12.530 8.606 1.00 0.00 H new ATOM 0 HD1 TYR A 88 10.238 -11.000 6.399 1.00 0.00 H new ATOM 0 HD2 TYR A 88 9.379 -12.840 10.183 1.00 0.00 H new ATOM 0 HE1 TYR A 88 12.519 -10.435 7.190 1.00 0.00 H new ATOM 0 HE2 TYR A 88 11.662 -12.276 10.976 1.00 0.00 H new ATOM 0 HH TYR A 88 13.625 -11.327 10.492 1.00 0.00 H new ATOM 1375 N ALA A 89 6.661 -14.897 7.843 1.00 0.00 N ATOM 1376 CA ALA A 89 5.371 -15.646 7.877 1.00 0.00 C ATOM 1377 C ALA A 89 4.196 -14.679 8.065 1.00 0.00 C ATOM 1378 O ALA A 89 3.057 -15.088 8.181 1.00 0.00 O ATOM 1379 CB ALA A 89 5.492 -16.581 9.080 1.00 0.00 C ATOM 0 H ALA A 89 7.219 -14.955 8.695 1.00 0.00 H new ATOM 0 HA ALA A 89 5.186 -16.190 6.951 1.00 0.00 H new ATOM 0 HB1 ALA A 89 4.580 -17.170 9.176 1.00 0.00 H new ATOM 0 HB2 ALA A 89 6.342 -17.248 8.938 1.00 0.00 H new ATOM 0 HB3 ALA A 89 5.640 -15.992 9.985 1.00 0.00 H new ATOM 1385 N ALA A 90 4.463 -13.403 8.100 1.00 0.00 N ATOM 1386 CA ALA A 90 3.361 -12.414 8.284 1.00 0.00 C ATOM 1387 C ALA A 90 2.338 -12.529 7.149 1.00 0.00 C ATOM 1388 O ALA A 90 1.150 -12.377 7.356 1.00 0.00 O ATOM 1389 CB ALA A 90 4.044 -11.048 8.248 1.00 0.00 C ATOM 0 H ALA A 90 5.396 -13.001 8.009 1.00 0.00 H new ATOM 0 HA ALA A 90 2.818 -12.578 9.215 1.00 0.00 H new ATOM 0 HB1 ALA A 90 3.297 -10.264 8.377 1.00 0.00 H new ATOM 0 HB2 ALA A 90 4.777 -10.987 9.052 1.00 0.00 H new ATOM 0 HB3 ALA A 90 4.545 -10.917 7.289 1.00 0.00 H new ATOM 1395 N CYS A 91 2.789 -12.791 5.952 1.00 0.00 N ATOM 1396 CA CYS A 91 1.838 -12.906 4.808 1.00 0.00 C ATOM 1397 C CYS A 91 1.630 -14.373 4.425 1.00 0.00 C ATOM 1398 O CYS A 91 2.568 -15.087 4.128 1.00 0.00 O ATOM 1399 CB CYS A 91 2.508 -12.151 3.661 1.00 0.00 C ATOM 1400 SG CYS A 91 1.565 -10.649 3.297 1.00 0.00 S ATOM 0 H CYS A 91 3.772 -12.930 5.717 1.00 0.00 H new ATOM 0 HA CYS A 91 0.856 -12.501 5.053 1.00 0.00 H new ATOM 0 HB2 CYS A 91 3.533 -11.894 3.930 1.00 0.00 H new ATOM 0 HB3 CYS A 91 2.560 -12.784 2.775 1.00 0.00 H new ATOM 1405 N THR A 92 0.407 -14.824 4.425 1.00 0.00 N ATOM 1406 CA THR A 92 0.136 -16.244 4.059 1.00 0.00 C ATOM 1407 C THR A 92 -0.474 -16.320 2.656 1.00 0.00 C ATOM 1408 O THR A 92 -0.991 -15.350 2.141 1.00 0.00 O ATOM 1409 CB THR A 92 -0.857 -16.738 5.109 1.00 0.00 C ATOM 1410 OG1 THR A 92 -2.128 -16.147 4.872 1.00 0.00 O ATOM 1411 CG2 THR A 92 -0.362 -16.347 6.501 1.00 0.00 C ATOM 0 H THR A 92 -0.417 -14.272 4.662 1.00 0.00 H new ATOM 0 HA THR A 92 1.042 -16.850 4.041 1.00 0.00 H new ATOM 0 HB THR A 92 -0.944 -17.823 5.047 1.00 0.00 H new ATOM 0 HG1 THR A 92 -2.767 -16.464 5.544 1.00 0.00 H new ATOM 0 HG21 THR A 92 -1.070 -16.699 7.251 1.00 0.00 H new ATOM 0 HG22 THR A 92 0.613 -16.800 6.681 1.00 0.00 H new ATOM 0 HG23 THR A 92 -0.275 -15.262 6.565 1.00 0.00 H new ATOM 1419 N GLY A 93 -0.412 -17.465 2.034 1.00 0.00 N ATOM 1420 CA GLY A 93 -0.984 -17.602 0.664 1.00 0.00 C ATOM 1421 C GLY A 93 0.146 -17.508 -0.364 1.00 0.00 C ATOM 1422 O GLY A 93 -0.080 -17.535 -1.558 1.00 0.00 O ATOM 0 H GLY A 93 0.010 -18.312 2.415 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -1.502 -18.556 0.567 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -1.721 -16.819 0.485 1.00 0.00 H new ATOM 1426 N CYS A 94 1.362 -17.398 0.094 1.00 0.00 N ATOM 1427 CA CYS A 94 2.512 -17.302 -0.851 1.00 0.00 C ATOM 1428 C CYS A 94 3.440 -18.507 -0.679 1.00 0.00 C ATOM 1429 O CYS A 94 3.817 -18.784 0.447 1.00 0.00 O ATOM 1430 CB CYS A 94 3.233 -16.009 -0.468 1.00 0.00 C ATOM 1431 SG CYS A 94 3.740 -16.092 1.268 1.00 0.00 S ATOM 1432 OXT CYS A 94 3.756 -19.132 -1.678 1.00 0.00 O ATOM 0 H CYS A 94 1.610 -17.370 1.083 1.00 0.00 H new ATOM 0 HA CYS A 94 2.191 -17.296 -1.893 1.00 0.00 H new ATOM 0 HB2 CYS A 94 4.105 -15.864 -1.106 1.00 0.00 H new ATOM 0 HB3 CYS A 94 2.576 -15.153 -0.626 1.00 0.00 H new