USER MOD reduce.3.24.130724 H: found=0, std=0, add=374, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 374 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 GLU N :NH3+ 155:sc= 0.00363 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= -2.93! C(o=-2.9!,f=-2.5!) USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.137 USER MOD Single : A 14 SER OG : rot 100:sc= -0.733 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot -140:sc= -1.24 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.0847 USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.0112 X(o=-0.011,f=-0.016) USER MOD Single : A 37 GLN : amide:sc= -2.27! K(o=-2.3!,f=-1.2) USER MOD Single : A 39 GLN : amide:sc= -3.24! C(o=-3.2!,f=-2.2!) USER MOD Single : A 45 ASN : amide:sc= -9.71! C(o=-9.7!,f=-21!) USER MOD Single : A 55 ASN : amide:sc= -0.0611 X(o=-0.061,f=-0.26) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -13.338 8.037 2.355 1.00 0.00 N ATOM 2 CA GLU A 1 -12.295 7.110 2.746 1.00 0.00 C ATOM 3 C GLU A 1 -12.273 6.959 4.260 1.00 0.00 C ATOM 4 O GLU A 1 -12.319 7.950 4.986 1.00 0.00 O ATOM 5 CB GLU A 1 -10.949 7.615 2.234 1.00 0.00 C ATOM 6 CG GLU A 1 -10.468 6.717 1.097 1.00 0.00 C ATOM 7 CD GLU A 1 -10.798 7.330 -0.256 1.00 0.00 C ATOM 8 OE1 GLU A 1 -10.301 8.449 -0.509 1.00 0.00 O ATOM 9 OE2 GLU A 1 -11.542 6.668 -1.012 1.00 0.00 O ATOM 0 H1 GLU A 1 -13.100 8.460 1.435 1.00 0.00 H new ATOM 0 H2 GLU A 1 -14.243 7.530 2.279 1.00 0.00 H new ATOM 0 H3 GLU A 1 -13.421 8.788 3.070 1.00 0.00 H new ATOM 0 HA GLU A 1 -12.493 6.132 2.308 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -11.043 8.643 1.885 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -10.218 7.619 3.043 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -9.392 6.565 1.179 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -10.936 5.736 1.180 1.00 0.00 H new ATOM 18 N GLU A 2 -12.203 5.709 4.697 1.00 0.00 N ATOM 19 CA GLU A 2 -12.176 5.418 6.120 1.00 0.00 C ATOM 20 C GLU A 2 -10.840 4.774 6.504 1.00 0.00 C ATOM 21 O GLU A 2 -10.808 3.824 7.284 1.00 0.00 O ATOM 22 CB GLU A 2 -13.350 4.521 6.519 1.00 0.00 C ATOM 23 CG GLU A 2 -13.526 3.372 5.523 1.00 0.00 C ATOM 24 CD GLU A 2 -14.664 2.444 5.952 1.00 0.00 C ATOM 25 OE1 GLU A 2 -15.851 2.877 5.688 1.00 0.00 O ATOM 26 OE2 GLU A 2 -14.409 1.367 6.511 1.00 0.00 O ATOM 0 H GLU A 2 -12.164 4.889 4.092 1.00 0.00 H new ATOM 0 HA GLU A 2 -12.277 6.357 6.665 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -13.182 4.118 7.518 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -14.265 5.112 6.563 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -13.734 3.774 4.532 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -12.598 2.805 5.449 1.00 0.00 H new ATOM 33 N CYS A 3 -9.774 5.318 5.937 1.00 0.00 N ATOM 34 CA CYS A 3 -8.441 4.809 6.209 1.00 0.00 C ATOM 35 C CYS A 3 -7.758 5.757 7.198 1.00 0.00 C ATOM 36 O CYS A 3 -8.411 6.604 7.803 1.00 0.00 O ATOM 37 CB CYS A 3 -7.627 4.639 4.926 1.00 0.00 C ATOM 38 SG CYS A 3 -8.533 3.860 3.540 1.00 0.00 S ATOM 0 H CYS A 3 -9.806 6.106 5.290 1.00 0.00 H new ATOM 0 HA CYS A 3 -8.512 3.815 6.650 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -7.272 5.618 4.605 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -6.745 4.038 5.149 1.00 0.00 H new ATOM 43 N GLY A 4 -6.451 5.582 7.329 1.00 0.00 N ATOM 44 CA GLY A 4 -5.672 6.410 8.232 1.00 0.00 C ATOM 45 C GLY A 4 -5.092 7.624 7.502 1.00 0.00 C ATOM 46 O GLY A 4 -5.411 7.862 6.338 1.00 0.00 O ATOM 0 H GLY A 4 -5.912 4.878 6.824 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -6.300 6.744 9.058 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -4.863 5.821 8.665 1.00 0.00 H new ATOM 50 N PRO A 5 -4.229 8.377 8.235 1.00 0.00 N ATOM 51 CA PRO A 5 -3.602 9.560 7.669 1.00 0.00 C ATOM 52 C PRO A 5 -2.491 9.176 6.689 1.00 0.00 C ATOM 53 O PRO A 5 -1.598 8.402 7.030 1.00 0.00 O ATOM 54 CB PRO A 5 -3.094 10.347 8.866 1.00 0.00 C ATOM 55 CG PRO A 5 -3.041 9.359 10.021 1.00 0.00 C ATOM 56 CD PRO A 5 -3.828 8.125 9.616 1.00 0.00 C ATOM 0 HA PRO A 5 -4.294 10.161 7.079 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -2.109 10.769 8.667 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -3.757 11.181 9.095 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -2.009 9.095 10.250 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -3.464 9.803 10.922 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -3.219 7.224 9.693 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -4.695 7.980 10.260 1.00 0.00 H new ATOM 64 N ASN A 6 -2.582 9.735 5.492 1.00 0.00 N ATOM 65 CA ASN A 6 -1.595 9.461 4.461 1.00 0.00 C ATOM 66 C ASN A 6 -1.956 8.155 3.749 1.00 0.00 C ATOM 67 O ASN A 6 -1.232 7.707 2.863 1.00 0.00 O ATOM 68 CB ASN A 6 -0.199 9.301 5.065 1.00 0.00 C ATOM 69 CG ASN A 6 0.041 10.327 6.175 1.00 0.00 C ATOM 70 OD1 ASN A 6 -0.237 11.506 6.034 1.00 0.00 O ATOM 71 ND2 ASN A 6 0.571 9.813 7.281 1.00 0.00 N ATOM 0 H ASN A 6 -3.324 10.377 5.212 1.00 0.00 H new ATOM 0 HA ASN A 6 -1.593 10.299 3.764 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -0.086 8.294 5.466 1.00 0.00 H new ATOM 0 HB3 ASN A 6 0.554 9.421 4.286 1.00 0.00 H new ATOM 0 HD21 ASN A 6 0.769 10.416 8.079 1.00 0.00 H new ATOM 0 HD22 ASN A 6 0.779 8.816 7.331 1.00 0.00 H new ATOM 78 N GLU A 7 -3.075 7.581 4.167 1.00 0.00 N ATOM 79 CA GLU A 7 -3.541 6.336 3.581 1.00 0.00 C ATOM 80 C GLU A 7 -4.744 6.595 2.673 1.00 0.00 C ATOM 81 O GLU A 7 -5.362 7.656 2.739 1.00 0.00 O ATOM 82 CB GLU A 7 -3.883 5.313 4.668 1.00 0.00 C ATOM 83 CG GLU A 7 -2.855 5.352 5.800 1.00 0.00 C ATOM 84 CD GLU A 7 -3.367 4.601 7.031 1.00 0.00 C ATOM 85 OE1 GLU A 7 -4.296 3.786 6.918 1.00 0.00 O ATOM 86 OE2 GLU A 7 -2.764 4.888 8.134 1.00 0.00 O ATOM 0 H GLU A 7 -3.672 7.955 4.904 1.00 0.00 H new ATOM 0 HA GLU A 7 -2.737 5.918 2.975 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -4.876 5.519 5.067 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -3.914 4.313 4.235 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -1.919 4.908 5.462 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -2.639 6.387 6.065 1.00 0.00 H new ATOM 93 N VAL A 8 -5.042 5.605 1.844 1.00 0.00 N ATOM 94 CA VAL A 8 -6.161 5.711 0.923 1.00 0.00 C ATOM 95 C VAL A 8 -6.852 4.351 0.806 1.00 0.00 C ATOM 96 O VAL A 8 -6.429 3.380 1.432 1.00 0.00 O ATOM 97 CB VAL A 8 -5.680 6.255 -0.425 1.00 0.00 C ATOM 98 CG1 VAL A 8 -5.470 7.769 -0.361 1.00 0.00 C ATOM 99 CG2 VAL A 8 -4.404 5.542 -0.878 1.00 0.00 C ATOM 0 H VAL A 8 -4.528 4.726 1.791 1.00 0.00 H new ATOM 0 HA VAL A 8 -6.899 6.419 1.300 1.00 0.00 H new ATOM 0 HB VAL A 8 -6.456 6.056 -1.164 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -5.128 8.130 -1.331 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -6.410 8.256 -0.103 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -4.721 8.001 0.397 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -4.083 5.946 -1.838 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -3.619 5.696 -0.138 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -4.601 4.475 -0.981 1.00 0.00 H new ATOM 109 N PHE A 9 -7.903 4.324 0.000 1.00 0.00 N ATOM 110 CA PHE A 9 -8.656 3.098 -0.206 1.00 0.00 C ATOM 111 C PHE A 9 -8.863 2.827 -1.699 1.00 0.00 C ATOM 112 O PHE A 9 -9.212 3.731 -2.454 1.00 0.00 O ATOM 113 CB PHE A 9 -10.021 3.295 0.458 1.00 0.00 C ATOM 114 CG PHE A 9 -10.707 1.990 0.867 1.00 0.00 C ATOM 115 CD1 PHE A 9 -10.991 1.048 -0.071 1.00 0.00 C ATOM 116 CD2 PHE A 9 -11.033 1.773 2.171 1.00 0.00 C ATOM 117 CE1 PHE A 9 -11.628 -0.163 0.309 1.00 0.00 C ATOM 118 CE2 PHE A 9 -11.670 0.563 2.550 1.00 0.00 C ATOM 119 CZ PHE A 9 -11.955 -0.380 1.612 1.00 0.00 C ATOM 0 H PHE A 9 -8.251 5.131 -0.518 1.00 0.00 H new ATOM 0 HA PHE A 9 -8.115 2.252 0.219 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -9.897 3.921 1.342 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -10.673 3.837 -0.228 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -10.732 1.221 -1.105 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -10.807 2.521 2.916 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -11.853 -0.912 -0.436 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -11.929 0.391 3.584 1.00 0.00 H new ATOM 0 HZ PHE A 9 -12.440 -1.300 1.901 1.00 0.00 H new ATOM 129 N ASN A 10 -8.641 1.576 -2.075 1.00 0.00 N ATOM 130 CA ASN A 10 -8.798 1.173 -3.463 1.00 0.00 C ATOM 131 C ASN A 10 -9.642 -0.100 -3.526 1.00 0.00 C ATOM 132 O ASN A 10 -9.359 -1.072 -2.828 1.00 0.00 O ATOM 133 CB ASN A 10 -7.442 0.875 -4.106 1.00 0.00 C ATOM 134 CG ASN A 10 -7.065 1.959 -5.119 1.00 0.00 C ATOM 135 OD1 ASN A 10 -7.142 1.773 -6.322 1.00 0.00 O ATOM 136 ND2 ASN A 10 -6.655 3.097 -4.566 1.00 0.00 N ATOM 0 H ASN A 10 -8.354 0.828 -1.443 1.00 0.00 H new ATOM 0 HA ASN A 10 -9.280 1.990 -4.000 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -6.675 0.812 -3.334 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -7.476 -0.095 -4.602 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -6.381 3.882 -5.157 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -6.615 3.185 -3.551 1.00 0.00 H new ATOM 143 N THR A 11 -10.663 -0.053 -4.370 1.00 0.00 N ATOM 144 CA THR A 11 -11.550 -1.192 -4.535 1.00 0.00 C ATOM 145 C THR A 11 -10.938 -2.211 -5.497 1.00 0.00 C ATOM 146 O THR A 11 -11.443 -3.324 -5.631 1.00 0.00 O ATOM 147 CB THR A 11 -12.913 -0.666 -4.993 1.00 0.00 C ATOM 148 OG1 THR A 11 -12.593 0.438 -5.835 1.00 0.00 O ATOM 149 CG2 THR A 11 -13.715 -0.042 -3.849 1.00 0.00 C ATOM 0 H THR A 11 -10.895 0.756 -4.946 1.00 0.00 H new ATOM 0 HA THR A 11 -11.689 -1.724 -3.594 1.00 0.00 H new ATOM 0 HB THR A 11 -13.486 -1.481 -5.436 1.00 0.00 H new ATOM 0 HG1 THR A 11 -13.419 0.838 -6.178 1.00 0.00 H new ATOM 0 HG21 THR A 11 -14.673 0.315 -4.228 1.00 0.00 H new ATOM 0 HG22 THR A 11 -13.887 -0.790 -3.075 1.00 0.00 H new ATOM 0 HG23 THR A 11 -13.157 0.794 -3.428 1.00 0.00 H new ATOM 157 N CYS A 12 -9.857 -1.794 -6.141 1.00 0.00 N ATOM 158 CA CYS A 12 -9.171 -2.658 -7.087 1.00 0.00 C ATOM 159 C CYS A 12 -7.687 -2.289 -7.083 1.00 0.00 C ATOM 160 O CYS A 12 -7.194 -1.674 -8.029 1.00 0.00 O ATOM 161 CB CYS A 12 -9.779 -2.560 -8.487 1.00 0.00 C ATOM 162 SG CYS A 12 -8.702 -3.167 -9.836 1.00 0.00 S ATOM 0 H CYS A 12 -9.440 -0.870 -6.026 1.00 0.00 H new ATOM 0 HA CYS A 12 -9.288 -3.699 -6.784 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -10.711 -3.125 -8.503 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -10.034 -1.519 -8.685 1.00 0.00 H new ATOM 167 N GLY A 13 -7.014 -2.679 -6.010 1.00 0.00 N ATOM 168 CA GLY A 13 -5.595 -2.397 -5.872 1.00 0.00 C ATOM 169 C GLY A 13 -4.762 -3.663 -6.076 1.00 0.00 C ATOM 170 O GLY A 13 -5.257 -4.659 -6.602 1.00 0.00 O ATOM 0 H GLY A 13 -7.425 -3.188 -5.228 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -5.298 -1.641 -6.599 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -5.397 -1.983 -4.883 1.00 0.00 H new ATOM 174 N SER A 14 -3.509 -3.584 -5.651 1.00 0.00 N ATOM 175 CA SER A 14 -2.603 -4.711 -5.782 1.00 0.00 C ATOM 176 C SER A 14 -2.581 -5.520 -4.482 1.00 0.00 C ATOM 177 O SER A 14 -2.254 -4.987 -3.422 1.00 0.00 O ATOM 178 CB SER A 14 -1.190 -4.244 -6.138 1.00 0.00 C ATOM 179 OG SER A 14 -0.821 -4.619 -7.462 1.00 0.00 O ATOM 0 H SER A 14 -3.101 -2.757 -5.216 1.00 0.00 H new ATOM 0 HA SER A 14 -2.963 -5.345 -6.592 1.00 0.00 H new ATOM 0 HB2 SER A 14 -1.131 -3.160 -6.038 1.00 0.00 H new ATOM 0 HB3 SER A 14 -0.479 -4.669 -5.430 1.00 0.00 H new ATOM 0 HG SER A 14 -0.933 -3.853 -8.062 1.00 0.00 H new ATOM 185 N ALA A 15 -2.933 -6.790 -4.607 1.00 0.00 N ATOM 186 CA ALA A 15 -2.959 -7.676 -3.456 1.00 0.00 C ATOM 187 C ALA A 15 -1.554 -7.767 -2.857 1.00 0.00 C ATOM 188 O ALA A 15 -1.395 -8.114 -1.686 1.00 0.00 O ATOM 189 CB ALA A 15 -3.504 -9.043 -3.875 1.00 0.00 C ATOM 0 H ALA A 15 -3.203 -7.227 -5.488 1.00 0.00 H new ATOM 0 HA ALA A 15 -3.622 -7.284 -2.685 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -3.523 -9.707 -3.011 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.515 -8.927 -4.266 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -2.863 -9.469 -4.646 1.00 0.00 H new ATOM 195 N CYS A 16 -0.570 -7.453 -3.686 1.00 0.00 N ATOM 196 CA CYS A 16 0.817 -7.496 -3.253 1.00 0.00 C ATOM 197 C CYS A 16 1.404 -6.089 -3.383 1.00 0.00 C ATOM 198 O CYS A 16 2.563 -5.928 -3.762 1.00 0.00 O ATOM 199 CB CYS A 16 1.625 -8.526 -4.045 1.00 0.00 C ATOM 200 SG CYS A 16 1.526 -10.236 -3.402 1.00 0.00 S ATOM 0 H CYS A 16 -0.705 -7.168 -4.656 1.00 0.00 H new ATOM 0 HA CYS A 16 0.866 -7.815 -2.212 1.00 0.00 H new ATOM 0 HB2 CYS A 16 1.280 -8.521 -5.079 1.00 0.00 H new ATOM 0 HB3 CYS A 16 2.670 -8.217 -4.056 1.00 0.00 H new ATOM 205 N ALA A 17 0.577 -5.105 -3.060 1.00 0.00 N ATOM 206 CA ALA A 17 0.999 -3.716 -3.137 1.00 0.00 C ATOM 207 C ALA A 17 2.398 -3.580 -2.529 1.00 0.00 C ATOM 208 O ALA A 17 2.859 -4.473 -1.820 1.00 0.00 O ATOM 209 CB ALA A 17 -0.030 -2.829 -2.433 1.00 0.00 C ATOM 0 H ALA A 17 -0.383 -5.242 -2.744 1.00 0.00 H new ATOM 0 HA ALA A 17 1.055 -3.389 -4.175 1.00 0.00 H new ATOM 0 HB1 ALA A 17 0.287 -1.788 -2.491 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -1.000 -2.941 -2.918 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -0.111 -3.126 -1.387 1.00 0.00 H new ATOM 215 N PRO A 18 3.047 -2.426 -2.836 1.00 0.00 N ATOM 216 CA PRO A 18 4.383 -2.161 -2.329 1.00 0.00 C ATOM 217 C PRO A 18 4.342 -1.783 -0.848 1.00 0.00 C ATOM 218 O PRO A 18 3.353 -1.225 -0.374 1.00 0.00 O ATOM 219 CB PRO A 18 4.926 -1.049 -3.213 1.00 0.00 C ATOM 220 CG PRO A 18 3.715 -0.415 -3.875 1.00 0.00 C ATOM 221 CD PRO A 18 2.531 -1.347 -3.674 1.00 0.00 C ATOM 0 HA PRO A 18 5.031 -3.037 -2.371 1.00 0.00 H new ATOM 0 HB2 PRO A 18 5.478 -0.316 -2.624 1.00 0.00 H new ATOM 0 HB3 PRO A 18 5.616 -1.444 -3.958 1.00 0.00 H new ATOM 0 HG2 PRO A 18 3.510 0.562 -3.438 1.00 0.00 H new ATOM 0 HG3 PRO A 18 3.900 -0.257 -4.937 1.00 0.00 H new ATOM 0 HD2 PRO A 18 1.700 -0.833 -3.191 1.00 0.00 H new ATOM 0 HD3 PRO A 18 2.160 -1.727 -4.626 1.00 0.00 H new ATOM 229 N THR A 19 5.426 -2.101 -0.157 1.00 0.00 N ATOM 230 CA THR A 19 5.527 -1.800 1.261 1.00 0.00 C ATOM 231 C THR A 19 6.917 -1.255 1.594 1.00 0.00 C ATOM 232 O THR A 19 7.681 -0.902 0.696 1.00 0.00 O ATOM 233 CB THR A 19 5.169 -3.068 2.038 1.00 0.00 C ATOM 234 OG1 THR A 19 5.955 -4.087 1.424 1.00 0.00 O ATOM 235 CG2 THR A 19 3.726 -3.516 1.797 1.00 0.00 C ATOM 0 H THR A 19 6.243 -2.565 -0.553 1.00 0.00 H new ATOM 0 HA THR A 19 4.828 -1.015 1.550 1.00 0.00 H new ATOM 0 HB THR A 19 5.322 -2.895 3.103 1.00 0.00 H new ATOM 0 HG1 THR A 19 5.785 -4.944 1.869 1.00 0.00 H new ATOM 0 HG21 THR A 19 3.525 -4.420 2.372 1.00 0.00 H new ATOM 0 HG22 THR A 19 3.043 -2.727 2.111 1.00 0.00 H new ATOM 0 HG23 THR A 19 3.581 -3.721 0.736 1.00 0.00 H new ATOM 243 N CYS A 20 7.203 -1.204 2.887 1.00 0.00 N ATOM 244 CA CYS A 20 8.488 -0.708 3.350 1.00 0.00 C ATOM 245 C CYS A 20 9.587 -1.584 2.745 1.00 0.00 C ATOM 246 O CYS A 20 10.706 -1.120 2.528 1.00 0.00 O ATOM 247 CB CYS A 20 8.564 -0.672 4.877 1.00 0.00 C ATOM 248 SG CYS A 20 9.191 0.898 5.578 1.00 0.00 S ATOM 0 H CYS A 20 6.567 -1.498 3.628 1.00 0.00 H new ATOM 0 HA CYS A 20 8.623 0.322 3.021 1.00 0.00 H new ATOM 0 HB2 CYS A 20 7.570 -0.862 5.281 1.00 0.00 H new ATOM 0 HB3 CYS A 20 9.206 -1.486 5.214 1.00 0.00 H new ATOM 253 N ALA A 21 9.230 -2.834 2.490 1.00 0.00 N ATOM 254 CA ALA A 21 10.172 -3.778 1.914 1.00 0.00 C ATOM 255 C ALA A 21 10.279 -3.533 0.408 1.00 0.00 C ATOM 256 O ALA A 21 11.333 -3.139 -0.089 1.00 0.00 O ATOM 257 CB ALA A 21 9.729 -5.206 2.243 1.00 0.00 C ATOM 0 H ALA A 21 8.301 -3.215 2.672 1.00 0.00 H new ATOM 0 HA ALA A 21 11.165 -3.638 2.341 1.00 0.00 H new ATOM 0 HB1 ALA A 21 10.435 -5.915 1.811 1.00 0.00 H new ATOM 0 HB2 ALA A 21 9.699 -5.337 3.325 1.00 0.00 H new ATOM 0 HB3 ALA A 21 8.737 -5.384 1.828 1.00 0.00 H new ATOM 263 N GLN A 22 9.171 -3.777 -0.278 1.00 0.00 N ATOM 264 CA GLN A 22 9.126 -3.586 -1.718 1.00 0.00 C ATOM 265 C GLN A 22 8.242 -2.388 -2.068 1.00 0.00 C ATOM 266 O GLN A 22 7.019 -2.506 -2.111 1.00 0.00 O ATOM 267 CB GLN A 22 8.637 -4.853 -2.423 1.00 0.00 C ATOM 268 CG GLN A 22 9.734 -5.920 -2.457 1.00 0.00 C ATOM 269 CD GLN A 22 9.751 -6.647 -3.803 1.00 0.00 C ATOM 270 OE1 GLN A 22 10.668 -6.518 -4.596 1.00 0.00 O ATOM 271 NE2 GLN A 22 8.686 -7.416 -4.015 1.00 0.00 N ATOM 0 H GLN A 22 8.299 -4.105 0.137 1.00 0.00 H new ATOM 0 HA GLN A 22 10.137 -3.380 -2.070 1.00 0.00 H new ATOM 0 HB2 GLN A 22 7.760 -5.245 -1.908 1.00 0.00 H new ATOM 0 HB3 GLN A 22 8.328 -4.611 -3.440 1.00 0.00 H new ATOM 0 HG2 GLN A 22 10.704 -5.455 -2.278 1.00 0.00 H new ATOM 0 HG3 GLN A 22 9.572 -6.639 -1.654 1.00 0.00 H new ATOM 0 HE21 GLN A 22 7.953 -7.479 -3.308 1.00 0.00 H new ATOM 0 HE22 GLN A 22 8.602 -7.943 -4.885 1.00 0.00 H new ATOM 280 N PRO A 23 8.913 -1.232 -2.318 1.00 0.00 N ATOM 281 CA PRO A 23 8.201 -0.013 -2.663 1.00 0.00 C ATOM 282 C PRO A 23 7.689 -0.066 -4.103 1.00 0.00 C ATOM 283 O PRO A 23 7.096 0.895 -4.591 1.00 0.00 O ATOM 284 CB PRO A 23 9.202 1.106 -2.429 1.00 0.00 C ATOM 285 CG PRO A 23 10.571 0.445 -2.409 1.00 0.00 C ATOM 286 CD PRO A 23 10.362 -1.055 -2.277 1.00 0.00 C ATOM 0 HA PRO A 23 7.307 0.138 -2.058 1.00 0.00 H new ATOM 0 HB2 PRO A 23 9.142 1.855 -3.219 1.00 0.00 H new ATOM 0 HB3 PRO A 23 9.002 1.618 -1.488 1.00 0.00 H new ATOM 0 HG2 PRO A 23 11.119 0.675 -3.322 1.00 0.00 H new ATOM 0 HG3 PRO A 23 11.165 0.822 -1.577 1.00 0.00 H new ATOM 0 HD2 PRO A 23 10.850 -1.596 -3.088 1.00 0.00 H new ATOM 0 HD3 PRO A 23 10.781 -1.433 -1.344 1.00 0.00 H new ATOM 294 N LYS A 24 7.938 -1.199 -4.743 1.00 0.00 N ATOM 295 CA LYS A 24 7.509 -1.390 -6.119 1.00 0.00 C ATOM 296 C LYS A 24 6.701 -2.685 -6.221 1.00 0.00 C ATOM 297 O LYS A 24 7.229 -3.771 -5.992 1.00 0.00 O ATOM 298 CB LYS A 24 8.710 -1.339 -7.066 1.00 0.00 C ATOM 299 CG LYS A 24 9.442 -0.001 -6.951 1.00 0.00 C ATOM 300 CD LYS A 24 9.675 0.617 -8.332 1.00 0.00 C ATOM 301 CE LYS A 24 8.480 1.473 -8.758 1.00 0.00 C ATOM 302 NZ LYS A 24 8.026 1.091 -10.114 1.00 0.00 N ATOM 0 H LYS A 24 8.431 -1.994 -4.335 1.00 0.00 H new ATOM 0 HA LYS A 24 6.852 -0.578 -6.430 1.00 0.00 H new ATOM 0 HB2 LYS A 24 9.396 -2.154 -6.834 1.00 0.00 H new ATOM 0 HB3 LYS A 24 8.375 -1.487 -8.093 1.00 0.00 H new ATOM 0 HG2 LYS A 24 8.860 0.685 -6.335 1.00 0.00 H new ATOM 0 HG3 LYS A 24 10.398 -0.147 -6.448 1.00 0.00 H new ATOM 0 HD2 LYS A 24 10.577 1.229 -8.313 1.00 0.00 H new ATOM 0 HD3 LYS A 24 9.841 -0.173 -9.065 1.00 0.00 H new ATOM 0 HE2 LYS A 24 7.664 1.349 -8.046 1.00 0.00 H new ATOM 0 HE3 LYS A 24 8.757 2.527 -8.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 7.215 1.681 -10.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 8.802 1.232 -10.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 7.742 0.090 -10.116 1.00 0.00 H new ATOM 316 N THR A 25 5.431 -2.526 -6.567 1.00 0.00 N ATOM 317 CA THR A 25 4.543 -3.668 -6.703 1.00 0.00 C ATOM 318 C THR A 25 5.268 -4.828 -7.392 1.00 0.00 C ATOM 319 O THR A 25 6.292 -4.625 -8.042 1.00 0.00 O ATOM 320 CB THR A 25 3.289 -3.207 -7.447 1.00 0.00 C ATOM 321 OG1 THR A 25 2.814 -2.107 -6.678 1.00 0.00 O ATOM 322 CG2 THR A 25 2.154 -4.231 -7.372 1.00 0.00 C ATOM 0 H THR A 25 4.996 -1.623 -6.757 1.00 0.00 H new ATOM 0 HA THR A 25 4.237 -4.050 -5.729 1.00 0.00 H new ATOM 0 HB THR A 25 3.537 -3.015 -8.491 1.00 0.00 H new ATOM 0 HG1 THR A 25 1.836 -2.141 -6.627 1.00 0.00 H new ATOM 0 HG21 THR A 25 1.288 -3.855 -7.916 1.00 0.00 H new ATOM 0 HG22 THR A 25 2.482 -5.171 -7.817 1.00 0.00 H new ATOM 0 HG23 THR A 25 1.883 -4.398 -6.330 1.00 0.00 H new ATOM 330 N ARG A 26 4.707 -6.015 -7.226 1.00 0.00 N ATOM 331 CA ARG A 26 5.285 -7.207 -7.824 1.00 0.00 C ATOM 332 C ARG A 26 4.199 -8.252 -8.084 1.00 0.00 C ATOM 333 O ARG A 26 4.419 -9.445 -7.881 1.00 0.00 O ATOM 334 CB ARG A 26 6.360 -7.811 -6.918 1.00 0.00 C ATOM 335 CG ARG A 26 7.223 -8.815 -7.686 1.00 0.00 C ATOM 336 CD ARG A 26 6.894 -10.251 -7.272 1.00 0.00 C ATOM 337 NE ARG A 26 6.353 -11.000 -8.428 1.00 0.00 N ATOM 338 CZ ARG A 26 7.092 -11.414 -9.466 1.00 0.00 C ATOM 339 NH1 ARG A 26 8.406 -11.153 -9.500 1.00 0.00 N ATOM 340 NH2 ARG A 26 6.517 -12.087 -10.472 1.00 0.00 N ATOM 0 H ARG A 26 3.857 -6.178 -6.686 1.00 0.00 H new ATOM 0 HA ARG A 26 5.744 -6.915 -8.768 1.00 0.00 H new ATOM 0 HB2 ARG A 26 6.990 -7.017 -6.516 1.00 0.00 H new ATOM 0 HB3 ARG A 26 5.889 -8.306 -6.069 1.00 0.00 H new ATOM 0 HG2 ARG A 26 7.060 -8.695 -8.757 1.00 0.00 H new ATOM 0 HG3 ARG A 26 8.277 -8.611 -7.499 1.00 0.00 H new ATOM 0 HD2 ARG A 26 7.790 -10.744 -6.896 1.00 0.00 H new ATOM 0 HD3 ARG A 26 6.168 -10.247 -6.459 1.00 0.00 H new ATOM 0 HE ARG A 26 5.356 -11.214 -8.435 1.00 0.00 H new ATOM 0 HH11 ARG A 26 8.844 -10.639 -8.735 1.00 0.00 H new ATOM 0 HH12 ARG A 26 8.968 -11.468 -10.290 1.00 0.00 H new ATOM 0 HH21 ARG A 26 5.517 -12.284 -10.448 1.00 0.00 H new ATOM 0 HH22 ARG A 26 7.080 -12.402 -11.262 1.00 0.00 H new ATOM 354 N ILE A 27 3.049 -7.767 -8.530 1.00 0.00 N ATOM 355 CA ILE A 27 1.928 -8.645 -8.820 1.00 0.00 C ATOM 356 C ILE A 27 1.623 -9.497 -7.587 1.00 0.00 C ATOM 357 O ILE A 27 2.415 -9.544 -6.647 1.00 0.00 O ATOM 358 CB ILE A 27 2.203 -9.464 -10.082 1.00 0.00 C ATOM 359 CG1 ILE A 27 2.510 -8.552 -11.272 1.00 0.00 C ATOM 360 CG2 ILE A 27 1.044 -10.420 -10.378 1.00 0.00 C ATOM 361 CD1 ILE A 27 4.018 -8.461 -11.518 1.00 0.00 C ATOM 0 H ILE A 27 2.870 -6.777 -8.698 1.00 0.00 H new ATOM 0 HA ILE A 27 1.032 -8.063 -9.035 1.00 0.00 H new ATOM 0 HB ILE A 27 3.089 -10.074 -9.907 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.015 -8.934 -12.165 1.00 0.00 H new ATOM 0 HG13 ILE A 27 2.108 -7.556 -11.085 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.264 -10.991 -11.280 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.913 -11.104 -9.539 1.00 0.00 H new ATOM 0 HG23 ILE A 27 0.128 -9.847 -10.526 1.00 0.00 H new ATOM 0 HD11 ILE A 27 4.209 -7.807 -12.369 1.00 0.00 H new ATOM 0 HD12 ILE A 27 4.507 -8.056 -10.632 1.00 0.00 H new ATOM 0 HD13 ILE A 27 4.413 -9.455 -11.728 1.00 0.00 H new ATOM 373 N CYS A 28 0.471 -10.150 -7.630 1.00 0.00 N ATOM 374 CA CYS A 28 0.050 -11.000 -6.529 1.00 0.00 C ATOM 375 C CYS A 28 -0.753 -12.169 -7.102 1.00 0.00 C ATOM 376 O CYS A 28 -0.512 -13.323 -6.753 1.00 0.00 O ATOM 377 CB CYS A 28 -0.749 -10.217 -5.484 1.00 0.00 C ATOM 378 SG CYS A 28 -0.413 -10.689 -3.749 1.00 0.00 S ATOM 0 H CYS A 28 -0.184 -10.108 -8.410 1.00 0.00 H new ATOM 0 HA CYS A 28 0.927 -11.385 -6.008 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -0.535 -9.155 -5.605 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -1.812 -10.353 -5.683 1.00 0.00 H new ATOM 383 N THR A 29 -1.692 -11.829 -7.975 1.00 0.00 N ATOM 384 CA THR A 29 -2.531 -12.836 -8.601 1.00 0.00 C ATOM 385 C THR A 29 -3.430 -12.197 -9.661 1.00 0.00 C ATOM 386 O THR A 29 -3.271 -11.021 -9.988 1.00 0.00 O ATOM 387 CB THR A 29 -3.311 -13.554 -7.496 1.00 0.00 C ATOM 388 OG1 THR A 29 -4.030 -14.574 -8.185 1.00 0.00 O ATOM 389 CG2 THR A 29 -4.404 -12.676 -6.885 1.00 0.00 C ATOM 0 H THR A 29 -1.889 -10.870 -8.263 1.00 0.00 H new ATOM 0 HA THR A 29 -1.932 -13.576 -9.131 1.00 0.00 H new ATOM 0 HB THR A 29 -2.622 -13.872 -6.714 1.00 0.00 H new ATOM 0 HG1 THR A 29 -4.562 -15.090 -7.543 1.00 0.00 H new ATOM 0 HG21 THR A 29 -4.926 -13.233 -6.107 1.00 0.00 H new ATOM 0 HG22 THR A 29 -3.953 -11.783 -6.451 1.00 0.00 H new ATOM 0 HG23 THR A 29 -5.113 -12.385 -7.660 1.00 0.00 H new ATOM 397 N MET A 30 -4.353 -12.999 -10.170 1.00 0.00 N ATOM 398 CA MET A 30 -5.277 -12.527 -11.187 1.00 0.00 C ATOM 399 C MET A 30 -6.522 -11.908 -10.551 1.00 0.00 C ATOM 400 O MET A 30 -7.573 -12.543 -10.486 1.00 0.00 O ATOM 401 CB MET A 30 -5.689 -13.696 -12.084 1.00 0.00 C ATOM 402 CG MET A 30 -5.059 -13.570 -13.472 1.00 0.00 C ATOM 403 SD MET A 30 -5.901 -14.641 -14.625 1.00 0.00 S ATOM 404 CE MET A 30 -4.860 -14.432 -16.060 1.00 0.00 C ATOM 0 H MET A 30 -4.481 -13.973 -9.897 1.00 0.00 H new ATOM 0 HA MET A 30 -4.776 -11.762 -11.780 1.00 0.00 H new ATOM 0 HB2 MET A 30 -5.383 -14.636 -11.626 1.00 0.00 H new ATOM 0 HB3 MET A 30 -6.775 -13.724 -12.175 1.00 0.00 H new ATOM 0 HG2 MET A 30 -5.117 -12.537 -13.814 1.00 0.00 H new ATOM 0 HG3 MET A 30 -4.002 -13.832 -13.426 1.00 0.00 H new ATOM 0 HE1 MET A 30 -5.246 -15.037 -16.881 1.00 0.00 H new ATOM 0 HE2 MET A 30 -4.853 -13.383 -16.355 1.00 0.00 H new ATOM 0 HE3 MET A 30 -3.845 -14.749 -15.822 1.00 0.00 H new ATOM 414 N GLN A 31 -6.364 -10.672 -10.097 1.00 0.00 N ATOM 415 CA GLN A 31 -7.462 -9.958 -9.468 1.00 0.00 C ATOM 416 C GLN A 31 -6.937 -8.744 -8.702 1.00 0.00 C ATOM 417 O GLN A 31 -5.748 -8.665 -8.398 1.00 0.00 O ATOM 418 CB GLN A 31 -8.262 -10.884 -8.548 1.00 0.00 C ATOM 419 CG GLN A 31 -9.654 -11.159 -9.121 1.00 0.00 C ATOM 420 CD GLN A 31 -10.648 -11.498 -8.009 1.00 0.00 C ATOM 421 OE1 GLN A 31 -10.952 -10.690 -7.146 1.00 0.00 O ATOM 422 NE2 GLN A 31 -11.135 -12.733 -8.076 1.00 0.00 N ATOM 0 H GLN A 31 -5.491 -10.147 -10.153 1.00 0.00 H new ATOM 0 HA GLN A 31 -8.135 -9.605 -10.249 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -7.726 -11.824 -8.418 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -8.354 -10.431 -7.561 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -10.003 -10.286 -9.672 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -9.602 -11.984 -9.831 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -10.838 -13.358 -8.825 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -11.806 -13.055 -7.378 1.00 0.00 H new ATOM 431 N CYS A 32 -7.848 -7.827 -8.412 1.00 0.00 N ATOM 432 CA CYS A 32 -7.492 -6.619 -7.688 1.00 0.00 C ATOM 433 C CYS A 32 -7.576 -6.916 -6.189 1.00 0.00 C ATOM 434 O CYS A 32 -7.880 -8.039 -5.791 1.00 0.00 O ATOM 435 CB CYS A 32 -8.377 -5.437 -8.086 1.00 0.00 C ATOM 436 SG CYS A 32 -8.758 -5.332 -9.873 1.00 0.00 S ATOM 0 H CYS A 32 -8.833 -7.897 -8.666 1.00 0.00 H new ATOM 0 HA CYS A 32 -6.474 -6.326 -7.944 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -9.314 -5.500 -7.532 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -7.886 -4.514 -7.779 1.00 0.00 H new ATOM 441 N ARG A 33 -7.302 -5.889 -5.398 1.00 0.00 N ATOM 442 CA ARG A 33 -7.343 -6.025 -3.952 1.00 0.00 C ATOM 443 C ARG A 33 -8.099 -4.851 -3.329 1.00 0.00 C ATOM 444 O ARG A 33 -7.703 -3.697 -3.490 1.00 0.00 O ATOM 445 CB ARG A 33 -5.932 -6.083 -3.365 1.00 0.00 C ATOM 446 CG ARG A 33 -5.946 -5.757 -1.869 1.00 0.00 C ATOM 447 CD ARG A 33 -5.946 -4.244 -1.639 1.00 0.00 C ATOM 448 NE ARG A 33 -4.948 -3.890 -0.606 1.00 0.00 N ATOM 449 CZ ARG A 33 -5.070 -4.197 0.693 1.00 0.00 C ATOM 450 NH1 ARG A 33 -6.148 -4.866 1.124 1.00 0.00 N ATOM 451 NH2 ARG A 33 -4.115 -3.835 1.559 1.00 0.00 N ATOM 0 H ARG A 33 -7.051 -4.958 -5.732 1.00 0.00 H new ATOM 0 HA ARG A 33 -7.859 -6.957 -3.721 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -5.510 -7.076 -3.520 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -5.287 -5.377 -3.889 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -6.827 -6.199 -1.405 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -5.075 -6.202 -1.388 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -5.717 -3.726 -2.570 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -6.937 -3.915 -1.327 1.00 0.00 H new ATOM 0 HE ARG A 33 -4.115 -3.380 -0.901 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -6.875 -5.141 0.464 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -6.242 -5.100 2.112 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -3.295 -3.326 1.230 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -4.208 -4.069 2.548 1.00 0.00 H new ATOM 465 N ILE A 34 -9.174 -5.184 -2.632 1.00 0.00 N ATOM 466 CA ILE A 34 -9.990 -4.170 -1.984 1.00 0.00 C ATOM 467 C ILE A 34 -9.486 -3.951 -0.557 1.00 0.00 C ATOM 468 O ILE A 34 -9.518 -4.866 0.264 1.00 0.00 O ATOM 469 CB ILE A 34 -11.472 -4.544 -2.062 1.00 0.00 C ATOM 470 CG1 ILE A 34 -11.767 -5.355 -3.326 1.00 0.00 C ATOM 471 CG2 ILE A 34 -12.358 -3.302 -1.959 1.00 0.00 C ATOM 472 CD1 ILE A 34 -11.877 -6.847 -3.007 1.00 0.00 C ATOM 0 H ILE A 34 -9.500 -6.142 -2.501 1.00 0.00 H new ATOM 0 HA ILE A 34 -9.897 -3.217 -2.505 1.00 0.00 H new ATOM 0 HB ILE A 34 -11.709 -5.179 -1.209 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -12.696 -5.007 -3.777 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -10.976 -5.193 -4.059 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -13.406 -3.597 -2.017 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -12.174 -2.802 -1.008 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -12.127 -2.621 -2.778 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -12.087 -7.400 -3.922 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -10.938 -7.198 -2.578 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -12.684 -7.008 -2.293 1.00 0.00 H new ATOM 484 N GLY A 35 -9.030 -2.732 -0.304 1.00 0.00 N ATOM 485 CA GLY A 35 -8.520 -2.382 1.010 1.00 0.00 C ATOM 486 C GLY A 35 -7.781 -1.042 0.971 1.00 0.00 C ATOM 487 O GLY A 35 -7.619 -0.449 -0.094 1.00 0.00 O ATOM 0 H GLY A 35 -9.004 -1.975 -0.987 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -9.344 -2.327 1.721 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -7.846 -3.163 1.363 1.00 0.00 H new ATOM 491 N CYS A 36 -7.351 -0.606 2.146 1.00 0.00 N ATOM 492 CA CYS A 36 -6.633 0.652 2.261 1.00 0.00 C ATOM 493 C CYS A 36 -5.158 0.393 1.946 1.00 0.00 C ATOM 494 O CYS A 36 -4.643 -0.690 2.218 1.00 0.00 O ATOM 495 CB CYS A 36 -6.820 1.287 3.639 1.00 0.00 C ATOM 496 SG CYS A 36 -8.504 1.926 3.968 1.00 0.00 S ATOM 0 H CYS A 36 -7.486 -1.102 3.027 1.00 0.00 H new ATOM 0 HA CYS A 36 -7.036 1.370 1.547 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -6.572 0.548 4.401 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -6.109 2.106 3.746 1.00 0.00 H new ATOM 501 N GLN A 37 -4.519 1.406 1.381 1.00 0.00 N ATOM 502 CA GLN A 37 -3.114 1.302 1.027 1.00 0.00 C ATOM 503 C GLN A 37 -2.366 2.570 1.447 1.00 0.00 C ATOM 504 O GLN A 37 -2.951 3.469 2.049 1.00 0.00 O ATOM 505 CB GLN A 37 -2.943 1.035 -0.469 1.00 0.00 C ATOM 506 CG GLN A 37 -3.869 1.930 -1.295 1.00 0.00 C ATOM 507 CD GLN A 37 -4.185 1.291 -2.650 1.00 0.00 C ATOM 508 OE1 GLN A 37 -4.002 1.882 -3.701 1.00 0.00 O ATOM 509 NE2 GLN A 37 -4.665 0.054 -2.566 1.00 0.00 N ATOM 0 H GLN A 37 -4.949 2.304 1.159 1.00 0.00 H new ATOM 0 HA GLN A 37 -2.686 0.456 1.564 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -1.907 1.213 -0.758 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -3.158 -0.012 -0.682 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -4.795 2.106 -0.747 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -3.400 2.902 -1.448 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -4.794 -0.382 -1.653 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -4.904 -0.459 -3.415 1.00 0.00 H new ATOM 518 N CYS A 38 -1.084 2.600 1.113 1.00 0.00 N ATOM 519 CA CYS A 38 -0.250 3.743 1.446 1.00 0.00 C ATOM 520 C CYS A 38 -0.248 4.700 0.253 1.00 0.00 C ATOM 521 O CYS A 38 -0.030 4.282 -0.883 1.00 0.00 O ATOM 522 CB CYS A 38 1.166 3.314 1.837 1.00 0.00 C ATOM 523 SG CYS A 38 1.299 2.516 3.478 1.00 0.00 S ATOM 0 H CYS A 38 -0.602 1.851 0.615 1.00 0.00 H new ATOM 0 HA CYS A 38 -0.658 4.253 2.318 1.00 0.00 H new ATOM 0 HB2 CYS A 38 1.544 2.625 1.082 1.00 0.00 H new ATOM 0 HB3 CYS A 38 1.814 4.191 1.821 1.00 0.00 H new ATOM 528 N GLN A 39 -0.492 5.967 0.552 1.00 0.00 N ATOM 529 CA GLN A 39 -0.521 6.988 -0.480 1.00 0.00 C ATOM 530 C GLN A 39 0.873 7.169 -1.086 1.00 0.00 C ATOM 531 O GLN A 39 1.857 6.659 -0.552 1.00 0.00 O ATOM 532 CB GLN A 39 -1.056 8.312 0.069 1.00 0.00 C ATOM 533 CG GLN A 39 -2.557 8.222 0.350 1.00 0.00 C ATOM 534 CD GLN A 39 -3.153 9.609 0.597 1.00 0.00 C ATOM 535 OE1 GLN A 39 -3.063 10.507 -0.225 1.00 0.00 O ATOM 536 NE2 GLN A 39 -3.765 9.734 1.771 1.00 0.00 N ATOM 0 H GLN A 39 -0.672 6.310 1.496 1.00 0.00 H new ATOM 0 HA GLN A 39 -1.200 6.660 -1.267 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -0.526 8.571 0.985 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -0.864 9.111 -0.647 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -3.061 7.751 -0.494 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -2.730 7.588 1.219 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -3.804 8.942 2.413 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -4.195 10.622 2.030 1.00 0.00 H new ATOM 545 N GLU A 40 0.912 7.898 -2.193 1.00 0.00 N ATOM 546 CA GLU A 40 2.169 8.153 -2.876 1.00 0.00 C ATOM 547 C GLU A 40 3.115 8.942 -1.970 1.00 0.00 C ATOM 548 O GLU A 40 2.946 10.147 -1.791 1.00 0.00 O ATOM 549 CB GLU A 40 1.934 8.887 -4.198 1.00 0.00 C ATOM 550 CG GLU A 40 3.256 9.138 -4.928 1.00 0.00 C ATOM 551 CD GLU A 40 3.027 9.320 -6.430 1.00 0.00 C ATOM 552 OE1 GLU A 40 2.337 10.265 -6.841 1.00 0.00 O ATOM 553 OE2 GLU A 40 3.596 8.438 -7.180 1.00 0.00 O ATOM 0 H GLU A 40 0.094 8.319 -2.633 1.00 0.00 H new ATOM 0 HA GLU A 40 2.636 7.196 -3.108 1.00 0.00 H new ATOM 0 HB2 GLU A 40 1.270 8.299 -4.832 1.00 0.00 H new ATOM 0 HB3 GLU A 40 1.434 9.836 -4.007 1.00 0.00 H new ATOM 0 HG2 GLU A 40 3.738 10.026 -4.520 1.00 0.00 H new ATOM 0 HG3 GLU A 40 3.934 8.301 -4.759 1.00 0.00 H new ATOM 560 N GLY A 41 4.090 8.231 -1.423 1.00 0.00 N ATOM 561 CA GLY A 41 5.063 8.850 -0.539 1.00 0.00 C ATOM 562 C GLY A 41 5.104 8.141 0.815 1.00 0.00 C ATOM 563 O GLY A 41 5.830 8.556 1.716 1.00 0.00 O ATOM 0 H GLY A 41 4.227 7.232 -1.575 1.00 0.00 H new ATOM 0 HA2 GLY A 41 6.050 8.818 -1.000 1.00 0.00 H new ATOM 0 HA3 GLY A 41 4.812 9.901 -0.395 1.00 0.00 H new ATOM 567 N PHE A 42 4.316 7.081 0.916 1.00 0.00 N ATOM 568 CA PHE A 42 4.253 6.307 2.145 1.00 0.00 C ATOM 569 C PHE A 42 4.350 4.808 1.856 1.00 0.00 C ATOM 570 O PHE A 42 4.000 4.359 0.766 1.00 0.00 O ATOM 571 CB PHE A 42 2.899 6.604 2.791 1.00 0.00 C ATOM 572 CG PHE A 42 2.553 8.094 2.855 1.00 0.00 C ATOM 573 CD1 PHE A 42 3.037 8.861 3.869 1.00 0.00 C ATOM 574 CD2 PHE A 42 1.761 8.650 1.899 1.00 0.00 C ATOM 575 CE1 PHE A 42 2.716 10.243 3.929 1.00 0.00 C ATOM 576 CE2 PHE A 42 1.441 10.032 1.960 1.00 0.00 C ATOM 577 CZ PHE A 42 1.925 10.799 2.973 1.00 0.00 C ATOM 0 H PHE A 42 3.715 6.739 0.166 1.00 0.00 H new ATOM 0 HA PHE A 42 5.083 6.577 2.798 1.00 0.00 H new ATOM 0 HB2 PHE A 42 2.120 6.084 2.233 1.00 0.00 H new ATOM 0 HB3 PHE A 42 2.893 6.196 3.802 1.00 0.00 H new ATOM 0 HD1 PHE A 42 3.665 8.419 4.628 1.00 0.00 H new ATOM 0 HD2 PHE A 42 1.376 8.041 1.094 1.00 0.00 H new ATOM 0 HE1 PHE A 42 3.100 10.852 4.734 1.00 0.00 H new ATOM 0 HE2 PHE A 42 0.813 10.474 1.201 1.00 0.00 H new ATOM 0 HZ PHE A 42 1.681 11.850 3.018 1.00 0.00 H new ATOM 587 N LEU A 43 4.824 4.075 2.853 1.00 0.00 N ATOM 588 CA LEU A 43 4.971 2.636 2.720 1.00 0.00 C ATOM 589 C LEU A 43 4.314 1.948 3.918 1.00 0.00 C ATOM 590 O LEU A 43 4.270 2.508 5.012 1.00 0.00 O ATOM 591 CB LEU A 43 6.442 2.262 2.526 1.00 0.00 C ATOM 592 CG LEU A 43 7.072 2.685 1.197 1.00 0.00 C ATOM 593 CD1 LEU A 43 8.514 2.187 1.090 1.00 0.00 C ATOM 594 CD2 LEU A 43 6.217 2.223 0.015 1.00 0.00 C ATOM 0 H LEU A 43 5.111 4.451 3.757 1.00 0.00 H new ATOM 0 HA LEU A 43 4.457 2.282 1.827 1.00 0.00 H new ATOM 0 HB2 LEU A 43 7.019 2.706 3.337 1.00 0.00 H new ATOM 0 HB3 LEU A 43 6.537 1.180 2.623 1.00 0.00 H new ATOM 0 HG LEU A 43 7.105 3.774 1.166 1.00 0.00 H new ATOM 0 HD11 LEU A 43 8.938 2.501 0.136 1.00 0.00 H new ATOM 0 HD12 LEU A 43 9.105 2.605 1.905 1.00 0.00 H new ATOM 0 HD13 LEU A 43 8.529 1.099 1.152 1.00 0.00 H new ATOM 0 HD21 LEU A 43 6.686 2.536 -0.918 1.00 0.00 H new ATOM 0 HD22 LEU A 43 6.131 1.137 0.031 1.00 0.00 H new ATOM 0 HD23 LEU A 43 5.224 2.667 0.089 1.00 0.00 H new ATOM 606 N ARG A 44 3.821 0.744 3.671 1.00 0.00 N ATOM 607 CA ARG A 44 3.169 -0.028 4.717 1.00 0.00 C ATOM 608 C ARG A 44 4.208 -0.796 5.535 1.00 0.00 C ATOM 609 O ARG A 44 5.107 -1.422 4.975 1.00 0.00 O ATOM 610 CB ARG A 44 2.163 -1.016 4.126 1.00 0.00 C ATOM 611 CG ARG A 44 0.737 -0.675 4.561 1.00 0.00 C ATOM 612 CD ARG A 44 0.035 -1.899 5.153 1.00 0.00 C ATOM 613 NE ARG A 44 -1.337 -2.006 4.611 1.00 0.00 N ATOM 614 CZ ARG A 44 -2.312 -2.734 5.176 1.00 0.00 C ATOM 615 NH1 ARG A 44 -2.071 -3.421 6.300 1.00 0.00 N ATOM 616 NH2 ARG A 44 -3.528 -2.772 4.615 1.00 0.00 N ATOM 0 H ARG A 44 3.859 0.283 2.762 1.00 0.00 H new ATOM 0 HA ARG A 44 2.637 0.671 5.363 1.00 0.00 H new ATOM 0 HB2 ARG A 44 2.229 -1.000 3.038 1.00 0.00 H new ATOM 0 HB3 ARG A 44 2.412 -2.028 4.445 1.00 0.00 H new ATOM 0 HG2 ARG A 44 0.760 0.127 5.299 1.00 0.00 H new ATOM 0 HG3 ARG A 44 0.171 -0.305 3.706 1.00 0.00 H new ATOM 0 HD2 ARG A 44 0.599 -2.801 4.918 1.00 0.00 H new ATOM 0 HD3 ARG A 44 0.001 -1.819 6.239 1.00 0.00 H new ATOM 0 HE ARG A 44 -1.555 -1.495 3.756 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -1.145 -3.391 6.727 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -2.813 -3.974 6.729 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -3.712 -2.248 3.759 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -4.270 -3.325 5.043 1.00 0.00 H new ATOM 630 N ASN A 45 4.051 -0.723 6.849 1.00 0.00 N ATOM 631 CA ASN A 45 4.965 -1.404 7.750 1.00 0.00 C ATOM 632 C ASN A 45 4.247 -2.594 8.393 1.00 0.00 C ATOM 633 O ASN A 45 3.045 -2.534 8.648 1.00 0.00 O ATOM 634 CB ASN A 45 5.431 -0.473 8.870 1.00 0.00 C ATOM 635 CG ASN A 45 4.327 -0.270 9.911 1.00 0.00 C ATOM 636 OD1 ASN A 45 3.146 -0.416 9.638 1.00 0.00 O ATOM 637 ND2 ASN A 45 4.775 0.072 11.115 1.00 0.00 N ATOM 0 H ASN A 45 3.305 -0.203 7.311 1.00 0.00 H new ATOM 0 HA ASN A 45 5.828 -1.731 7.171 1.00 0.00 H new ATOM 0 HB2 ASN A 45 6.316 -0.891 9.350 1.00 0.00 H new ATOM 0 HB3 ASN A 45 5.721 0.490 8.450 1.00 0.00 H new ATOM 0 HD21 ASN A 45 4.117 0.229 11.878 1.00 0.00 H new ATOM 0 HD22 ASN A 45 5.777 0.177 11.275 1.00 0.00 H new ATOM 644 N GLY A 46 5.016 -3.645 8.637 1.00 0.00 N ATOM 645 CA GLY A 46 4.469 -4.846 9.245 1.00 0.00 C ATOM 646 C GLY A 46 3.394 -4.497 10.277 1.00 0.00 C ATOM 647 O GLY A 46 2.473 -5.280 10.507 1.00 0.00 O ATOM 0 H GLY A 46 6.013 -3.690 8.425 1.00 0.00 H new ATOM 0 HA2 GLY A 46 4.043 -5.487 8.473 1.00 0.00 H new ATOM 0 HA3 GLY A 46 5.268 -5.412 9.724 1.00 0.00 H new ATOM 651 N GLU A 47 3.548 -3.324 10.871 1.00 0.00 N ATOM 652 CA GLU A 47 2.603 -2.864 11.874 1.00 0.00 C ATOM 653 C GLU A 47 1.343 -2.317 11.202 1.00 0.00 C ATOM 654 O GLU A 47 0.710 -1.395 11.716 1.00 0.00 O ATOM 655 CB GLU A 47 3.239 -1.811 12.784 1.00 0.00 C ATOM 656 CG GLU A 47 3.161 -2.236 14.252 1.00 0.00 C ATOM 657 CD GLU A 47 4.422 -2.994 14.672 1.00 0.00 C ATOM 658 OE1 GLU A 47 4.494 -4.221 14.503 1.00 0.00 O ATOM 659 OE2 GLU A 47 5.351 -2.264 15.188 1.00 0.00 O ATOM 0 H GLU A 47 4.313 -2.678 10.677 1.00 0.00 H new ATOM 0 HA GLU A 47 2.321 -3.713 12.497 1.00 0.00 H new ATOM 0 HB2 GLU A 47 4.281 -1.661 12.500 1.00 0.00 H new ATOM 0 HB3 GLU A 47 2.731 -0.856 12.651 1.00 0.00 H new ATOM 0 HG2 GLU A 47 3.035 -1.356 14.883 1.00 0.00 H new ATOM 0 HG3 GLU A 47 2.285 -2.867 14.406 1.00 0.00 H new ATOM 666 N GLY A 48 1.014 -2.909 10.063 1.00 0.00 N ATOM 667 CA GLY A 48 -0.162 -2.491 9.315 1.00 0.00 C ATOM 668 C GLY A 48 -0.323 -0.971 9.351 1.00 0.00 C ATOM 669 O GLY A 48 -1.443 -0.463 9.368 1.00 0.00 O ATOM 0 H GLY A 48 1.540 -3.674 9.640 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -0.078 -2.827 8.281 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -1.050 -2.964 9.733 1.00 0.00 H new ATOM 673 N ALA A 49 0.811 -0.287 9.362 1.00 0.00 N ATOM 674 CA ALA A 49 0.809 1.166 9.396 1.00 0.00 C ATOM 675 C ALA A 49 1.427 1.702 8.103 1.00 0.00 C ATOM 676 O ALA A 49 2.097 0.967 7.379 1.00 0.00 O ATOM 677 CB ALA A 49 1.553 1.649 10.642 1.00 0.00 C ATOM 0 H ALA A 49 1.738 -0.712 9.348 1.00 0.00 H new ATOM 0 HA ALA A 49 -0.210 1.547 9.458 1.00 0.00 H new ATOM 0 HB1 ALA A 49 1.551 2.739 10.667 1.00 0.00 H new ATOM 0 HB2 ALA A 49 1.057 1.265 11.534 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.581 1.288 10.614 1.00 0.00 H new ATOM 683 N CYS A 50 1.179 2.980 7.851 1.00 0.00 N ATOM 684 CA CYS A 50 1.703 3.622 6.659 1.00 0.00 C ATOM 685 C CYS A 50 2.759 4.642 7.087 1.00 0.00 C ATOM 686 O CYS A 50 2.426 5.742 7.525 1.00 0.00 O ATOM 687 CB CYS A 50 0.591 4.268 5.829 1.00 0.00 C ATOM 688 SG CYS A 50 -0.204 3.155 4.613 1.00 0.00 S ATOM 0 H CYS A 50 0.622 3.587 8.453 1.00 0.00 H new ATOM 0 HA CYS A 50 2.162 2.874 6.013 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -0.174 4.649 6.506 1.00 0.00 H new ATOM 0 HB3 CYS A 50 1.004 5.126 5.299 1.00 0.00 H new ATOM 693 N VAL A 51 4.014 4.241 6.946 1.00 0.00 N ATOM 694 CA VAL A 51 5.122 5.107 7.313 1.00 0.00 C ATOM 695 C VAL A 51 5.935 5.446 6.061 1.00 0.00 C ATOM 696 O VAL A 51 6.124 4.598 5.190 1.00 0.00 O ATOM 697 CB VAL A 51 5.963 4.444 8.407 1.00 0.00 C ATOM 698 CG1 VAL A 51 5.189 4.378 9.726 1.00 0.00 C ATOM 699 CG2 VAL A 51 6.430 3.053 7.976 1.00 0.00 C ATOM 0 H VAL A 51 4.288 3.328 6.583 1.00 0.00 H new ATOM 0 HA VAL A 51 4.752 6.045 7.726 1.00 0.00 H new ATOM 0 HB VAL A 51 6.849 5.058 8.566 1.00 0.00 H new ATOM 0 HG11 VAL A 51 5.808 3.903 10.487 1.00 0.00 H new ATOM 0 HG12 VAL A 51 4.930 5.387 10.047 1.00 0.00 H new ATOM 0 HG13 VAL A 51 4.278 3.797 9.584 1.00 0.00 H new ATOM 0 HG21 VAL A 51 7.025 2.606 8.772 1.00 0.00 H new ATOM 0 HG22 VAL A 51 5.563 2.424 7.774 1.00 0.00 H new ATOM 0 HG23 VAL A 51 7.036 3.136 7.074 1.00 0.00 H new ATOM 709 N LEU A 52 6.393 6.689 6.012 1.00 0.00 N ATOM 710 CA LEU A 52 7.181 7.152 4.882 1.00 0.00 C ATOM 711 C LEU A 52 8.327 6.173 4.629 1.00 0.00 C ATOM 712 O LEU A 52 8.735 5.442 5.531 1.00 0.00 O ATOM 713 CB LEU A 52 7.641 8.593 5.104 1.00 0.00 C ATOM 714 CG LEU A 52 6.567 9.673 4.944 1.00 0.00 C ATOM 715 CD1 LEU A 52 6.368 10.445 6.250 1.00 0.00 C ATOM 716 CD2 LEU A 52 6.894 10.602 3.772 1.00 0.00 C ATOM 0 H LEU A 52 6.233 7.389 6.736 1.00 0.00 H new ATOM 0 HA LEU A 52 6.573 7.172 3.977 1.00 0.00 H new ATOM 0 HB2 LEU A 52 8.058 8.670 6.108 1.00 0.00 H new ATOM 0 HB3 LEU A 52 8.450 8.807 4.405 1.00 0.00 H new ATOM 0 HG LEU A 52 5.621 9.183 4.712 1.00 0.00 H new ATOM 0 HD11 LEU A 52 5.600 11.206 6.110 1.00 0.00 H new ATOM 0 HD12 LEU A 52 6.057 9.757 7.036 1.00 0.00 H new ATOM 0 HD13 LEU A 52 7.305 10.923 6.536 1.00 0.00 H new ATOM 0 HD21 LEU A 52 6.116 11.360 3.680 1.00 0.00 H new ATOM 0 HD22 LEU A 52 7.854 11.087 3.949 1.00 0.00 H new ATOM 0 HD23 LEU A 52 6.946 10.021 2.851 1.00 0.00 H new ATOM 728 N PRO A 53 8.831 6.189 3.366 1.00 0.00 N ATOM 729 CA PRO A 53 9.924 5.310 2.984 1.00 0.00 C ATOM 730 C PRO A 53 11.253 5.808 3.557 1.00 0.00 C ATOM 731 O PRO A 53 12.149 5.013 3.835 1.00 0.00 O ATOM 732 CB PRO A 53 9.903 5.295 1.464 1.00 0.00 C ATOM 733 CG PRO A 53 9.104 6.518 1.045 1.00 0.00 C ATOM 734 CD PRO A 53 8.375 7.042 2.272 1.00 0.00 C ATOM 0 HA PRO A 53 9.812 4.301 3.382 1.00 0.00 H new ATOM 0 HB2 PRO A 53 10.914 5.332 1.059 1.00 0.00 H new ATOM 0 HB3 PRO A 53 9.443 4.381 1.089 1.00 0.00 H new ATOM 0 HG2 PRO A 53 9.764 7.284 0.637 1.00 0.00 H new ATOM 0 HG3 PRO A 53 8.393 6.259 0.260 1.00 0.00 H new ATOM 0 HD2 PRO A 53 8.616 8.088 2.459 1.00 0.00 H new ATOM 0 HD3 PRO A 53 7.294 6.981 2.146 1.00 0.00 H new ATOM 742 N GLU A 54 11.338 7.121 3.716 1.00 0.00 N ATOM 743 CA GLU A 54 12.542 7.733 4.252 1.00 0.00 C ATOM 744 C GLU A 54 12.628 7.504 5.762 1.00 0.00 C ATOM 745 O GLU A 54 13.631 7.841 6.389 1.00 0.00 O ATOM 746 CB GLU A 54 12.593 9.225 3.920 1.00 0.00 C ATOM 747 CG GLU A 54 11.505 9.992 4.676 1.00 0.00 C ATOM 748 CD GLU A 54 11.953 11.423 4.979 1.00 0.00 C ATOM 749 OE1 GLU A 54 12.814 11.967 4.273 1.00 0.00 O ATOM 750 OE2 GLU A 54 11.373 11.972 5.993 1.00 0.00 O ATOM 0 H GLU A 54 10.593 7.778 3.483 1.00 0.00 H new ATOM 0 HA GLU A 54 13.405 7.260 3.783 1.00 0.00 H new ATOM 0 HB2 GLU A 54 13.573 9.626 4.180 1.00 0.00 H new ATOM 0 HB3 GLU A 54 12.465 9.367 2.847 1.00 0.00 H new ATOM 0 HG2 GLU A 54 10.590 10.011 4.084 1.00 0.00 H new ATOM 0 HG3 GLU A 54 11.271 9.476 5.607 1.00 0.00 H new ATOM 757 N ASN A 55 11.562 6.932 6.302 1.00 0.00 N ATOM 758 CA ASN A 55 11.504 6.654 7.728 1.00 0.00 C ATOM 759 C ASN A 55 11.548 5.140 7.950 1.00 0.00 C ATOM 760 O ASN A 55 11.499 4.676 9.087 1.00 0.00 O ATOM 761 CB ASN A 55 10.207 7.184 8.341 1.00 0.00 C ATOM 762 CG ASN A 55 10.493 8.292 9.357 1.00 0.00 C ATOM 763 OD1 ASN A 55 11.390 8.199 10.178 1.00 0.00 O ATOM 764 ND2 ASN A 55 9.682 9.341 9.255 1.00 0.00 N ATOM 0 H ASN A 55 10.732 6.653 5.779 1.00 0.00 H new ATOM 0 HA ASN A 55 12.353 7.146 8.202 1.00 0.00 H new ATOM 0 HB2 ASN A 55 9.558 7.567 7.553 1.00 0.00 H new ATOM 0 HB3 ASN A 55 9.671 6.369 8.828 1.00 0.00 H new ATOM 0 HD21 ASN A 55 9.791 10.133 9.888 1.00 0.00 H new ATOM 0 HD22 ASN A 55 8.951 9.353 8.544 1.00 0.00 H new ATOM 771 N CYS A 56 11.643 4.378 6.858 1.00 0.00 N ATOM 772 CA CYS A 56 11.696 2.932 6.931 1.00 0.00 C ATOM 773 C CYS A 56 12.796 2.510 7.895 1.00 0.00 C ATOM 774 O CYS A 56 13.477 3.357 8.469 1.00 0.00 O ATOM 775 CB CYS A 56 11.946 2.361 5.539 1.00 0.00 C ATOM 776 SG CYS A 56 11.216 0.707 5.449 1.00 0.00 S ATOM 777 OXT CYS A 56 13.010 1.312 8.104 1.00 0.00 O ATOM 0 H CYS A 56 11.685 4.751 5.909 1.00 0.00 H new ATOM 0 HA CYS A 56 10.746 2.545 7.300 1.00 0.00 H new ATOM 0 HB2 CYS A 56 11.507 3.009 4.781 1.00 0.00 H new ATOM 0 HB3 CYS A 56 13.016 2.313 5.337 1.00 0.00 H new TER 782 CYS A 56