USER MOD reduce.3.24.130724 H: found=0, std=0, add=692, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 690 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 NoAdj-H: A 7 HIS HD1 : A 7 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD NoAdj-H: A 9 HIS HE2 : A 9 HIS NE2 : A 501 ZNZN :(H bumps) USER MOD NoAdj-H: A 42 HIS HE2 : A 42 HIS NE2 : A 501 ZNZN :(H bumps) USER MOD NoAdj-H: A 49 HIS HE2 : A 49 HIS NE2 : A 601 ZNZN :(H bumps) USER MOD NoAdj-H: A 79 HIS HE2 : A 79 HIS NE2 : A 701 ZNZN :(H bumps) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 GLN : amide:sc= -0.264 K(o=-0.26,f=-0.82) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A -1 SER OG : rot 180:sc= 0 USER MOD Single : A -2 SER OG : rot 180:sc= 0.00243 USER MOD Single : A -4 SER OG : rot 180:sc= 0 USER MOD Single : A -5 SER OG : rot 37:sc= 1.26 USER MOD Single : A -6 GLY N :NH3+ 131:sc= 0.0321 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -4.22! K(o=-4.2!,f=-0.35) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot -170:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= -0.292 USER MOD Single : A 43 SER OG : rot -44:sc= 0.233 USER MOD Single : A 45 LYS NZ :NH3+ 124:sc=-0.00677 (180deg=-0.76) USER MOD Single : A 62 ASN : amide:sc= -2.14 K(o=-2.1,f=-0.73) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 36:sc= 0.00175 USER MOD Single : A 71 MET CE :methyl -158:sc= -0.374 (180deg=-0.652) USER MOD Single : A 74 ASN : amide:sc= -0.537 K(o=-0.54,f=-4.6!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl -141:sc= -3.46 (180deg=-4.28!) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -6 -19.919 40.124 -21.202 1.00 0.00 N ATOM 2 CA GLY A -6 -18.797 39.285 -20.825 1.00 0.00 C ATOM 3 C GLY A -6 -18.887 38.808 -19.389 1.00 0.00 C ATOM 4 O GLY A -6 -19.449 39.492 -18.534 1.00 0.00 O ATOM 0 H1 GLY A -6 -19.567 40.989 -21.660 1.00 0.00 H new ATOM 0 H2 GLY A -6 -20.532 39.607 -21.864 1.00 0.00 H new ATOM 0 H3 GLY A -6 -20.463 40.379 -20.353 1.00 0.00 H new ATOM 0 HA2 GLY A -6 -18.753 38.422 -21.489 1.00 0.00 H new ATOM 0 HA3 GLY A -6 -17.869 39.841 -20.963 1.00 0.00 H new ATOM 8 N SER A -5 -18.333 37.629 -19.123 1.00 0.00 N ATOM 9 CA SER A -5 -18.358 37.058 -17.781 1.00 0.00 C ATOM 10 C SER A -5 -17.410 35.867 -17.680 1.00 0.00 C ATOM 11 O SER A -5 -16.883 35.392 -18.686 1.00 0.00 O ATOM 12 CB SER A -5 -19.779 36.627 -17.414 1.00 0.00 C ATOM 13 OG SER A -5 -20.522 37.712 -16.887 1.00 0.00 O ATOM 0 H SER A -5 -17.862 37.051 -19.819 1.00 0.00 H new ATOM 0 HA SER A -5 -18.026 37.824 -17.080 1.00 0.00 H new ATOM 0 HB2 SER A -5 -20.282 36.233 -18.297 1.00 0.00 H new ATOM 0 HB3 SER A -5 -19.740 35.820 -16.682 1.00 0.00 H new ATOM 0 HG SER A -5 -20.283 38.534 -17.364 1.00 0.00 H new ATOM 19 N SER A -4 -17.199 35.389 -16.458 1.00 0.00 N ATOM 20 CA SER A -4 -16.312 34.255 -16.223 1.00 0.00 C ATOM 21 C SER A -4 -16.413 33.777 -14.777 1.00 0.00 C ATOM 22 O SER A -4 -16.659 34.566 -13.867 1.00 0.00 O ATOM 23 CB SER A -4 -14.867 34.636 -16.547 1.00 0.00 C ATOM 24 OG SER A -4 -14.391 35.633 -15.659 1.00 0.00 O ATOM 0 H SER A -4 -17.630 35.769 -15.615 1.00 0.00 H new ATOM 0 HA SER A -4 -16.621 33.441 -16.879 1.00 0.00 H new ATOM 0 HB2 SER A -4 -14.231 33.753 -16.482 1.00 0.00 H new ATOM 0 HB3 SER A -4 -14.805 34.999 -17.573 1.00 0.00 H new ATOM 0 HG SER A -4 -13.465 35.858 -15.886 1.00 0.00 H new ATOM 30 N GLY A -3 -16.220 32.477 -14.576 1.00 0.00 N ATOM 31 CA GLY A -3 -16.293 31.915 -13.240 1.00 0.00 C ATOM 32 C GLY A -3 -16.413 30.404 -13.253 1.00 0.00 C ATOM 33 O GLY A -3 -16.896 29.821 -14.223 1.00 0.00 O ATOM 0 H GLY A -3 -16.015 31.803 -15.314 1.00 0.00 H new ATOM 0 HA2 GLY A -3 -15.403 32.201 -12.680 1.00 0.00 H new ATOM 0 HA3 GLY A -3 -17.149 32.340 -12.717 1.00 0.00 H new ATOM 37 N SER A -2 -15.971 29.768 -12.172 1.00 0.00 N ATOM 38 CA SER A -2 -16.026 28.314 -12.065 1.00 0.00 C ATOM 39 C SER A -2 -16.647 27.891 -10.738 1.00 0.00 C ATOM 40 O SER A -2 -16.951 28.727 -9.887 1.00 0.00 O ATOM 41 CB SER A -2 -14.623 27.719 -12.199 1.00 0.00 C ATOM 42 OG SER A -2 -14.683 26.330 -12.476 1.00 0.00 O ATOM 0 H SER A -2 -15.571 30.236 -11.359 1.00 0.00 H new ATOM 0 HA SER A -2 -16.651 27.937 -12.875 1.00 0.00 H new ATOM 0 HB2 SER A -2 -14.083 28.229 -12.996 1.00 0.00 H new ATOM 0 HB3 SER A -2 -14.064 27.886 -11.278 1.00 0.00 H new ATOM 0 HG SER A -2 -13.774 25.973 -12.559 1.00 0.00 H new ATOM 48 N SER A -1 -16.832 26.585 -10.568 1.00 0.00 N ATOM 49 CA SER A -1 -17.420 26.049 -9.346 1.00 0.00 C ATOM 50 C SER A -1 -16.967 24.611 -9.111 1.00 0.00 C ATOM 51 O SER A -1 -16.776 23.847 -10.055 1.00 0.00 O ATOM 52 CB SER A -1 -18.947 26.110 -9.421 1.00 0.00 C ATOM 53 OG SER A -1 -19.450 25.161 -10.346 1.00 0.00 O ATOM 0 H SER A -1 -16.583 25.879 -11.261 1.00 0.00 H new ATOM 0 HA SER A -1 -17.080 26.660 -8.509 1.00 0.00 H new ATOM 0 HB2 SER A -1 -19.371 25.921 -8.435 1.00 0.00 H new ATOM 0 HB3 SER A -1 -19.260 27.112 -9.716 1.00 0.00 H new ATOM 0 HG SER A -1 -20.428 25.218 -10.375 1.00 0.00 H new ATOM 59 N GLY A 0 -16.798 24.251 -7.842 1.00 0.00 N ATOM 60 CA GLY A 0 -16.369 22.906 -7.504 1.00 0.00 C ATOM 61 C GLY A 0 -15.679 22.839 -6.156 1.00 0.00 C ATOM 62 O GLY A 0 -14.758 23.609 -5.884 1.00 0.00 O ATOM 0 H GLY A 0 -16.950 24.866 -7.043 1.00 0.00 H new ATOM 0 HA2 GLY A 0 -17.234 22.243 -7.499 1.00 0.00 H new ATOM 0 HA3 GLY A 0 -15.691 22.540 -8.275 1.00 0.00 H new ATOM 66 N MET A 1 -16.126 21.917 -5.310 1.00 0.00 N ATOM 67 CA MET A 1 -15.544 21.754 -3.982 1.00 0.00 C ATOM 68 C MET A 1 -15.492 20.281 -3.589 1.00 0.00 C ATOM 69 O MET A 1 -16.525 19.622 -3.479 1.00 0.00 O ATOM 70 CB MET A 1 -16.351 22.541 -2.948 1.00 0.00 C ATOM 71 CG MET A 1 -15.869 23.970 -2.760 1.00 0.00 C ATOM 72 SD MET A 1 -16.682 24.803 -1.383 1.00 0.00 S ATOM 73 CE MET A 1 -16.227 26.506 -1.700 1.00 0.00 C ATOM 0 H MET A 1 -16.888 21.272 -5.519 1.00 0.00 H new ATOM 0 HA MET A 1 -14.526 22.141 -4.009 1.00 0.00 H new ATOM 0 HB2 MET A 1 -17.398 22.556 -3.251 1.00 0.00 H new ATOM 0 HB3 MET A 1 -16.304 22.022 -1.991 1.00 0.00 H new ATOM 0 HG2 MET A 1 -14.792 23.967 -2.593 1.00 0.00 H new ATOM 0 HG3 MET A 1 -16.047 24.533 -3.676 1.00 0.00 H new ATOM 0 HE1 MET A 1 -16.657 27.147 -0.930 1.00 0.00 H new ATOM 0 HE2 MET A 1 -15.141 26.601 -1.687 1.00 0.00 H new ATOM 0 HE3 MET A 1 -16.606 26.808 -2.676 1.00 0.00 H new ATOM 83 N GLU A 2 -14.282 19.771 -3.380 1.00 0.00 N ATOM 84 CA GLU A 2 -14.097 18.375 -3.001 1.00 0.00 C ATOM 85 C GLU A 2 -13.975 18.235 -1.486 1.00 0.00 C ATOM 86 O GLU A 2 -13.281 19.015 -0.834 1.00 0.00 O ATOM 87 CB GLU A 2 -12.852 17.800 -3.679 1.00 0.00 C ATOM 88 CG GLU A 2 -11.553 18.420 -3.193 1.00 0.00 C ATOM 89 CD GLU A 2 -10.329 17.678 -3.694 1.00 0.00 C ATOM 90 OE1 GLU A 2 -10.257 17.404 -4.911 1.00 0.00 O ATOM 91 OE2 GLU A 2 -9.443 17.370 -2.869 1.00 0.00 O ATOM 0 H GLU A 2 -13.416 20.303 -3.467 1.00 0.00 H new ATOM 0 HA GLU A 2 -14.972 17.816 -3.331 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -12.818 16.724 -3.506 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -12.934 17.947 -4.756 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -11.504 19.458 -3.523 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -11.546 18.431 -2.103 1.00 0.00 H new ATOM 98 N GLU A 3 -14.655 17.235 -0.933 1.00 0.00 N ATOM 99 CA GLU A 3 -14.623 16.993 0.504 1.00 0.00 C ATOM 100 C GLU A 3 -15.261 15.649 0.844 1.00 0.00 C ATOM 101 O GLU A 3 -16.362 15.342 0.390 1.00 0.00 O ATOM 102 CB GLU A 3 -15.348 18.117 1.249 1.00 0.00 C ATOM 103 CG GLU A 3 -15.418 17.904 2.752 1.00 0.00 C ATOM 104 CD GLU A 3 -14.136 18.300 3.458 1.00 0.00 C ATOM 105 OE1 GLU A 3 -13.527 19.314 3.058 1.00 0.00 O ATOM 106 OE2 GLU A 3 -13.742 17.595 4.410 1.00 0.00 O ATOM 0 H GLU A 3 -15.234 16.580 -1.458 1.00 0.00 H new ATOM 0 HA GLU A 3 -13.580 16.971 0.820 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -14.842 19.061 1.047 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -16.361 18.208 0.856 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -16.246 18.484 3.159 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -15.632 16.855 2.957 1.00 0.00 H new ATOM 113 N GLU A 4 -14.559 14.853 1.645 1.00 0.00 N ATOM 114 CA GLU A 4 -15.056 13.542 2.044 1.00 0.00 C ATOM 115 C GLU A 4 -14.816 13.299 3.531 1.00 0.00 C ATOM 116 O GLU A 4 -13.828 13.770 4.097 1.00 0.00 O ATOM 117 CB GLU A 4 -14.380 12.443 1.221 1.00 0.00 C ATOM 118 CG GLU A 4 -14.913 11.050 1.511 1.00 0.00 C ATOM 119 CD GLU A 4 -14.470 10.030 0.480 1.00 0.00 C ATOM 120 OE1 GLU A 4 -14.914 10.129 -0.683 1.00 0.00 O ATOM 121 OE2 GLU A 4 -13.678 9.132 0.837 1.00 0.00 O ATOM 0 H GLU A 4 -13.645 15.093 2.030 1.00 0.00 H new ATOM 0 HA GLU A 4 -16.130 13.517 1.858 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -14.513 12.660 0.161 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -13.308 12.461 1.418 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -14.575 10.734 2.498 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -16.002 11.081 1.542 1.00 0.00 H new ATOM 128 N LEU A 5 -15.725 12.561 4.158 1.00 0.00 N ATOM 129 CA LEU A 5 -15.614 12.255 5.580 1.00 0.00 C ATOM 130 C LEU A 5 -15.475 10.752 5.804 1.00 0.00 C ATOM 131 O LEU A 5 -15.491 9.970 4.855 1.00 0.00 O ATOM 132 CB LEU A 5 -16.835 12.784 6.333 1.00 0.00 C ATOM 133 CG LEU A 5 -17.087 14.289 6.231 1.00 0.00 C ATOM 134 CD1 LEU A 5 -18.445 14.644 6.815 1.00 0.00 C ATOM 135 CD2 LEU A 5 -15.983 15.063 6.936 1.00 0.00 C ATOM 0 H LEU A 5 -16.547 12.163 3.704 1.00 0.00 H new ATOM 0 HA LEU A 5 -14.719 12.745 5.963 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -17.718 12.262 5.964 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -16.728 12.524 7.386 1.00 0.00 H new ATOM 0 HG LEU A 5 -17.084 14.568 5.177 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -18.606 15.719 6.733 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -19.226 14.117 6.267 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -18.478 14.351 7.864 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -16.178 16.132 6.853 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -15.955 14.779 7.988 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -15.024 14.833 6.472 1.00 0.00 H new ATOM 147 N GLN A 6 -15.342 10.357 7.067 1.00 0.00 N ATOM 148 CA GLN A 6 -15.203 8.948 7.415 1.00 0.00 C ATOM 149 C GLN A 6 -16.546 8.231 7.329 1.00 0.00 C ATOM 150 O GLN A 6 -17.592 8.865 7.185 1.00 0.00 O ATOM 151 CB GLN A 6 -14.624 8.804 8.823 1.00 0.00 C ATOM 152 CG GLN A 6 -15.593 9.205 9.924 1.00 0.00 C ATOM 153 CD GLN A 6 -14.894 9.517 11.232 1.00 0.00 C ATOM 154 OE1 GLN A 6 -13.928 8.851 11.607 1.00 0.00 O ATOM 155 NE2 GLN A 6 -15.378 10.534 11.935 1.00 0.00 N ATOM 0 H GLN A 6 -15.328 10.992 7.865 1.00 0.00 H new ATOM 0 HA GLN A 6 -14.520 8.489 6.700 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -14.320 7.769 8.978 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -13.725 9.415 8.901 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -16.161 10.078 9.603 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -16.310 8.399 10.083 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -16.180 11.059 11.587 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -14.948 10.791 12.823 1.00 0.00 H new ATOM 164 N HIS A 7 -16.510 6.905 7.418 1.00 0.00 N ATOM 165 CA HIS A 7 -17.725 6.101 7.350 1.00 0.00 C ATOM 166 C HIS A 7 -18.071 5.522 8.718 1.00 0.00 C ATOM 167 O HIS A 7 -17.390 4.624 9.213 1.00 0.00 O ATOM 168 CB HIS A 7 -17.559 4.972 6.333 1.00 0.00 C ATOM 169 CG HIS A 7 -17.640 5.431 4.909 1.00 0.00 C ATOM 170 ND1 HIS A 7 -16.782 4.987 3.925 1.00 0.00 N ATOM 171 CD2 HIS A 7 -18.485 6.299 4.306 1.00 0.00 C ATOM 172 CE1 HIS A 7 -17.094 5.563 2.779 1.00 0.00 C ATOM 173 NE2 HIS A 7 -18.125 6.364 2.982 1.00 0.00 N ATOM 0 H HIS A 7 -15.653 6.365 7.537 1.00 0.00 H new ATOM 0 HA HIS A 7 -18.542 6.749 7.032 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -16.597 4.487 6.495 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -18.329 4.220 6.508 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -19.292 6.840 4.778 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -16.592 5.406 1.836 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -18.580 6.937 2.271 1.00 0.00 H new ATOM 181 N SER A 8 -19.132 6.043 9.325 1.00 0.00 N ATOM 182 CA SER A 8 -19.565 5.581 10.639 1.00 0.00 C ATOM 183 C SER A 8 -19.371 4.074 10.776 1.00 0.00 C ATOM 184 O SER A 8 -18.888 3.589 11.800 1.00 0.00 O ATOM 185 CB SER A 8 -21.034 5.941 10.871 1.00 0.00 C ATOM 186 OG SER A 8 -21.463 5.527 12.157 1.00 0.00 O ATOM 0 H SER A 8 -19.708 6.785 8.928 1.00 0.00 H new ATOM 0 HA SER A 8 -18.953 6.078 11.392 1.00 0.00 H new ATOM 0 HB2 SER A 8 -21.169 7.018 10.768 1.00 0.00 H new ATOM 0 HB3 SER A 8 -21.653 5.468 10.108 1.00 0.00 H new ATOM 0 HG SER A 8 -22.404 5.770 12.282 1.00 0.00 H new ATOM 192 N HIS A 9 -19.751 3.338 9.736 1.00 0.00 N ATOM 193 CA HIS A 9 -19.619 1.885 9.739 1.00 0.00 C ATOM 194 C HIS A 9 -18.150 1.473 9.694 1.00 0.00 C ATOM 195 O HIS A 9 -17.624 0.906 10.653 1.00 0.00 O ATOM 196 CB HIS A 9 -20.366 1.282 8.550 1.00 0.00 C ATOM 197 CG HIS A 9 -19.973 -0.132 8.250 1.00 0.00 C ATOM 198 ND1 HIS A 9 -20.641 -1.224 8.764 1.00 0.00 N ATOM 199 CD2 HIS A 9 -18.976 -0.630 7.483 1.00 0.00 C ATOM 200 CE1 HIS A 9 -20.070 -2.332 8.328 1.00 0.00 C ATOM 201 NE2 HIS A 9 -19.057 -2.000 7.548 1.00 0.00 N ATOM 0 H HIS A 9 -20.152 3.723 8.881 1.00 0.00 H new ATOM 0 HA HIS A 9 -20.056 1.507 10.663 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -21.437 1.318 8.748 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -20.184 1.896 7.668 1.00 0.00 H new ATOM 0 HD1 HIS A 9 -21.450 -1.182 9.384 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -18.251 -0.057 6.924 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -20.379 -3.339 8.568 1.00 0.00 H new ATOM 209 N CYS A 10 -17.494 1.762 8.576 1.00 0.00 N ATOM 210 CA CYS A 10 -16.087 1.421 8.405 1.00 0.00 C ATOM 211 C CYS A 10 -15.286 1.773 9.655 1.00 0.00 C ATOM 212 O CYS A 10 -14.621 0.918 10.241 1.00 0.00 O ATOM 213 CB CYS A 10 -15.507 2.151 7.192 1.00 0.00 C ATOM 214 SG CYS A 10 -16.499 1.975 5.674 1.00 0.00 S ATOM 0 H CYS A 10 -17.914 2.232 7.774 1.00 0.00 H new ATOM 0 HA CYS A 10 -16.017 0.346 8.241 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -15.412 3.210 7.430 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -14.502 1.775 7.002 1.00 0.00 H new ATOM 219 N VAL A 11 -15.354 3.038 10.058 1.00 0.00 N ATOM 220 CA VAL A 11 -14.637 3.504 11.239 1.00 0.00 C ATOM 221 C VAL A 11 -14.836 2.552 12.413 1.00 0.00 C ATOM 222 O VAL A 11 -13.996 2.472 13.309 1.00 0.00 O ATOM 223 CB VAL A 11 -15.095 4.915 11.653 1.00 0.00 C ATOM 224 CG1 VAL A 11 -14.915 5.894 10.502 1.00 0.00 C ATOM 225 CG2 VAL A 11 -16.542 4.890 12.120 1.00 0.00 C ATOM 0 H VAL A 11 -15.898 3.758 9.584 1.00 0.00 H new ATOM 0 HA VAL A 11 -13.580 3.536 10.976 1.00 0.00 H new ATOM 0 HB VAL A 11 -14.475 5.250 12.484 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -15.244 6.886 10.813 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -13.863 5.933 10.218 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -15.509 5.566 9.649 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -16.849 5.895 12.409 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -17.179 4.535 11.310 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -16.637 4.222 12.976 1.00 0.00 H new ATOM 235 N ASN A 12 -15.953 1.833 12.402 1.00 0.00 N ATOM 236 CA ASN A 12 -16.263 0.886 13.467 1.00 0.00 C ATOM 237 C ASN A 12 -16.408 -0.528 12.913 1.00 0.00 C ATOM 238 O ASN A 12 -17.238 -1.308 13.380 1.00 0.00 O ATOM 239 CB ASN A 12 -17.549 1.298 14.187 1.00 0.00 C ATOM 240 CG ASN A 12 -17.279 2.158 15.406 1.00 0.00 C ATOM 241 OD1 ASN A 12 -17.549 1.753 16.537 1.00 0.00 O ATOM 242 ND2 ASN A 12 -16.743 3.352 15.181 1.00 0.00 N ATOM 0 H ASN A 12 -16.659 1.888 11.668 1.00 0.00 H new ATOM 0 HA ASN A 12 -15.437 0.896 14.179 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -18.190 1.844 13.495 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -18.095 0.404 14.490 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -16.539 3.975 15.963 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -16.536 3.646 14.227 1.00 0.00 H new ATOM 249 N CYS A 13 -15.594 -0.852 11.914 1.00 0.00 N ATOM 250 CA CYS A 13 -15.630 -2.172 11.295 1.00 0.00 C ATOM 251 C CYS A 13 -14.235 -2.788 11.246 1.00 0.00 C ATOM 252 O CYS A 13 -13.426 -2.455 10.379 1.00 0.00 O ATOM 253 CB CYS A 13 -16.208 -2.079 9.881 1.00 0.00 C ATOM 254 SG CYS A 13 -16.284 -3.673 9.003 1.00 0.00 S ATOM 0 H CYS A 13 -14.901 -0.218 11.516 1.00 0.00 H new ATOM 0 HA CYS A 13 -16.270 -2.813 11.901 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -17.212 -1.659 9.937 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -15.604 -1.384 9.298 1.00 0.00 H new ATOM 259 N VAL A 14 -13.959 -3.690 12.183 1.00 0.00 N ATOM 260 CA VAL A 14 -12.663 -4.354 12.248 1.00 0.00 C ATOM 261 C VAL A 14 -12.637 -5.595 11.362 1.00 0.00 C ATOM 262 O VAL A 14 -11.661 -5.846 10.656 1.00 0.00 O ATOM 263 CB VAL A 14 -12.311 -4.760 13.691 1.00 0.00 C ATOM 264 CG1 VAL A 14 -12.223 -3.532 14.584 1.00 0.00 C ATOM 265 CG2 VAL A 14 -13.333 -5.749 14.230 1.00 0.00 C ATOM 0 H VAL A 14 -14.617 -3.978 12.908 1.00 0.00 H new ATOM 0 HA VAL A 14 -11.923 -3.639 11.890 1.00 0.00 H new ATOM 0 HB VAL A 14 -11.336 -5.247 13.686 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -11.973 -3.838 15.600 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -11.450 -2.862 14.207 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -13.182 -3.014 14.586 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -13.069 -6.025 15.251 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -14.322 -5.291 14.222 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -13.342 -6.641 13.604 1.00 0.00 H new ATOM 275 N SER A 15 -13.718 -6.368 11.404 1.00 0.00 N ATOM 276 CA SER A 15 -13.818 -7.585 10.608 1.00 0.00 C ATOM 277 C SER A 15 -13.364 -7.335 9.173 1.00 0.00 C ATOM 278 O SER A 15 -13.903 -6.471 8.481 1.00 0.00 O ATOM 279 CB SER A 15 -15.256 -8.108 10.616 1.00 0.00 C ATOM 280 OG SER A 15 -15.595 -8.649 11.881 1.00 0.00 O ATOM 0 H SER A 15 -14.536 -6.173 11.981 1.00 0.00 H new ATOM 0 HA SER A 15 -13.163 -8.335 11.052 1.00 0.00 H new ATOM 0 HB2 SER A 15 -15.942 -7.298 10.368 1.00 0.00 H new ATOM 0 HB3 SER A 15 -15.373 -8.872 9.847 1.00 0.00 H new ATOM 0 HG SER A 15 -16.519 -8.975 11.861 1.00 0.00 H new ATOM 286 N ARG A 16 -12.369 -8.097 8.733 1.00 0.00 N ATOM 287 CA ARG A 16 -11.840 -7.958 7.381 1.00 0.00 C ATOM 288 C ARG A 16 -12.799 -8.559 6.358 1.00 0.00 C ATOM 289 O ARG A 16 -12.951 -8.037 5.253 1.00 0.00 O ATOM 290 CB ARG A 16 -10.473 -8.636 7.273 1.00 0.00 C ATOM 291 CG ARG A 16 -10.487 -10.103 7.669 1.00 0.00 C ATOM 292 CD ARG A 16 -10.702 -11.003 6.462 1.00 0.00 C ATOM 293 NE ARG A 16 -10.257 -12.371 6.714 1.00 0.00 N ATOM 294 CZ ARG A 16 -10.885 -13.210 7.530 1.00 0.00 C ATOM 295 NH1 ARG A 16 -11.979 -12.822 8.170 1.00 0.00 N ATOM 296 NH2 ARG A 16 -10.419 -14.440 7.708 1.00 0.00 N ATOM 0 H ARG A 16 -11.912 -8.817 9.293 1.00 0.00 H new ATOM 0 HA ARG A 16 -11.729 -6.895 7.169 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -10.114 -8.549 6.248 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -9.762 -8.104 7.906 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -9.544 -10.360 8.152 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -11.277 -10.277 8.399 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -11.759 -11.009 6.198 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -10.162 -10.598 5.607 1.00 0.00 H new ATOM 0 HE ARG A 16 -9.418 -12.700 6.237 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -12.340 -11.877 8.036 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -12.460 -13.468 8.796 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -9.577 -14.742 7.218 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -10.903 -15.083 8.335 1.00 0.00 H new ATOM 310 N ARG A 17 -13.443 -9.659 6.733 1.00 0.00 N ATOM 311 CA ARG A 17 -14.386 -10.332 5.847 1.00 0.00 C ATOM 312 C ARG A 17 -15.780 -9.725 5.975 1.00 0.00 C ATOM 313 O ARG A 17 -16.787 -10.419 5.832 1.00 0.00 O ATOM 314 CB ARG A 17 -14.439 -11.828 6.164 1.00 0.00 C ATOM 315 CG ARG A 17 -14.805 -12.692 4.969 1.00 0.00 C ATOM 316 CD ARG A 17 -14.151 -14.062 5.050 1.00 0.00 C ATOM 317 NE ARG A 17 -14.883 -15.064 4.280 1.00 0.00 N ATOM 318 CZ ARG A 17 -14.732 -15.241 2.972 1.00 0.00 C ATOM 319 NH1 ARG A 17 -13.880 -14.486 2.292 1.00 0.00 N ATOM 320 NH2 ARG A 17 -15.434 -16.174 2.342 1.00 0.00 N ATOM 0 H ARG A 17 -13.329 -10.103 7.644 1.00 0.00 H new ATOM 0 HA ARG A 17 -14.042 -10.197 4.822 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -13.468 -12.144 6.546 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -15.165 -11.997 6.959 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -15.888 -12.807 4.920 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -14.496 -12.194 4.050 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -13.127 -13.998 4.681 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -14.095 -14.376 6.092 1.00 0.00 H new ATOM 0 HE ARG A 17 -15.547 -15.661 4.774 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -13.339 -13.768 2.773 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -13.766 -14.624 1.288 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -16.091 -16.756 2.862 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -15.317 -16.309 1.338 1.00 0.00 H new ATOM 334 N CYS A 18 -15.831 -8.425 6.245 1.00 0.00 N ATOM 335 CA CYS A 18 -17.100 -7.723 6.394 1.00 0.00 C ATOM 336 C CYS A 18 -17.924 -7.811 5.112 1.00 0.00 C ATOM 337 O CYS A 18 -17.400 -7.633 4.012 1.00 0.00 O ATOM 338 CB CYS A 18 -16.857 -6.257 6.757 1.00 0.00 C ATOM 339 SG CYS A 18 -18.201 -5.134 6.256 1.00 0.00 S ATOM 0 H CYS A 18 -15.007 -7.836 6.365 1.00 0.00 H new ATOM 0 HA CYS A 18 -17.659 -8.201 7.198 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -16.716 -6.179 7.835 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -15.929 -5.927 6.290 1.00 0.00 H new ATOM 344 N MET A 19 -19.215 -8.087 5.262 1.00 0.00 N ATOM 345 CA MET A 19 -20.111 -8.197 4.117 1.00 0.00 C ATOM 346 C MET A 19 -21.363 -7.351 4.323 1.00 0.00 C ATOM 347 O MET A 19 -22.484 -7.824 4.130 1.00 0.00 O ATOM 348 CB MET A 19 -20.501 -9.658 3.886 1.00 0.00 C ATOM 349 CG MET A 19 -19.503 -10.427 3.035 1.00 0.00 C ATOM 350 SD MET A 19 -20.182 -11.966 2.387 1.00 0.00 S ATOM 351 CE MET A 19 -18.901 -13.126 2.856 1.00 0.00 C ATOM 0 H MET A 19 -19.664 -8.239 6.165 1.00 0.00 H new ATOM 0 HA MET A 19 -19.584 -7.826 3.238 1.00 0.00 H new ATOM 0 HB2 MET A 19 -20.602 -10.155 4.851 1.00 0.00 H new ATOM 0 HB3 MET A 19 -21.479 -9.693 3.405 1.00 0.00 H new ATOM 0 HG2 MET A 19 -19.180 -9.799 2.205 1.00 0.00 H new ATOM 0 HG3 MET A 19 -18.618 -10.648 3.631 1.00 0.00 H new ATOM 0 HE1 MET A 19 -19.177 -14.127 2.523 1.00 0.00 H new ATOM 0 HE2 MET A 19 -17.959 -12.836 2.391 1.00 0.00 H new ATOM 0 HE3 MET A 19 -18.786 -13.123 3.940 1.00 0.00 H new ATOM 361 N THR A 20 -21.166 -6.097 4.717 1.00 0.00 N ATOM 362 CA THR A 20 -22.279 -5.185 4.951 1.00 0.00 C ATOM 363 C THR A 20 -22.547 -4.319 3.726 1.00 0.00 C ATOM 364 O THR A 20 -21.638 -3.682 3.194 1.00 0.00 O ATOM 365 CB THR A 20 -22.013 -4.273 6.163 1.00 0.00 C ATOM 366 OG1 THR A 20 -22.025 -5.044 7.370 1.00 0.00 O ATOM 367 CG2 THR A 20 -23.058 -3.170 6.250 1.00 0.00 C ATOM 0 H THR A 20 -20.245 -5.689 4.881 1.00 0.00 H new ATOM 0 HA THR A 20 -23.155 -5.801 5.155 1.00 0.00 H new ATOM 0 HB THR A 20 -21.032 -3.814 6.035 1.00 0.00 H new ATOM 0 HG1 THR A 20 -22.013 -4.442 8.143 1.00 0.00 H new ATOM 0 HG21 THR A 20 -22.850 -2.539 7.114 1.00 0.00 H new ATOM 0 HG22 THR A 20 -23.026 -2.566 5.343 1.00 0.00 H new ATOM 0 HG23 THR A 20 -24.048 -3.614 6.356 1.00 0.00 H new ATOM 375 N ARG A 21 -23.800 -4.298 3.284 1.00 0.00 N ATOM 376 CA ARG A 21 -24.187 -3.509 2.121 1.00 0.00 C ATOM 377 C ARG A 21 -23.549 -2.123 2.167 1.00 0.00 C ATOM 378 O ARG A 21 -23.760 -1.347 3.099 1.00 0.00 O ATOM 379 CB ARG A 21 -25.710 -3.379 2.049 1.00 0.00 C ATOM 380 CG ARG A 21 -26.245 -3.263 0.632 1.00 0.00 C ATOM 381 CD ARG A 21 -26.331 -4.622 -0.045 1.00 0.00 C ATOM 382 NE ARG A 21 -26.832 -4.521 -1.413 1.00 0.00 N ATOM 383 CZ ARG A 21 -28.121 -4.433 -1.719 1.00 0.00 C ATOM 384 NH1 ARG A 21 -29.035 -4.432 -0.758 1.00 0.00 N ATOM 385 NH2 ARG A 21 -28.499 -4.344 -2.988 1.00 0.00 N ATOM 0 H ARG A 21 -24.565 -4.819 3.714 1.00 0.00 H new ATOM 0 HA ARG A 21 -23.831 -4.025 1.229 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -26.163 -4.246 2.530 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -26.019 -2.502 2.618 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -27.233 -2.802 0.652 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -25.598 -2.606 0.051 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -25.345 -5.086 -0.053 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -26.985 -5.274 0.533 1.00 0.00 H new ATOM 0 HE ARG A 21 -26.154 -4.518 -2.175 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -28.748 -4.499 0.219 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -30.025 -4.364 -0.995 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -27.799 -4.343 -3.730 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -29.490 -4.276 -3.222 1.00 0.00 H new ATOM 399 N PRO A 22 -22.751 -1.805 1.138 1.00 0.00 N ATOM 400 CA PRO A 22 -22.066 -0.512 1.038 1.00 0.00 C ATOM 401 C PRO A 22 -23.032 0.636 0.770 1.00 0.00 C ATOM 402 O PRO A 22 -23.535 0.790 -0.342 1.00 0.00 O ATOM 403 CB PRO A 22 -21.121 -0.703 -0.151 1.00 0.00 C ATOM 404 CG PRO A 22 -21.760 -1.765 -0.977 1.00 0.00 C ATOM 405 CD PRO A 22 -22.455 -2.681 -0.008 1.00 0.00 C ATOM 0 HA PRO A 22 -21.559 -0.246 1.966 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -21.004 0.222 -0.716 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -20.126 -1.003 0.178 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -22.469 -1.335 -1.685 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -21.015 -2.307 -1.561 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -23.364 -3.104 -0.436 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -21.819 -3.518 0.280 1.00 0.00 H new ATOM 413 N GLU A 23 -23.288 1.440 1.798 1.00 0.00 N ATOM 414 CA GLU A 23 -24.195 2.575 1.672 1.00 0.00 C ATOM 415 C GLU A 23 -23.417 3.881 1.540 1.00 0.00 C ATOM 416 O GLU A 23 -22.398 4.096 2.197 1.00 0.00 O ATOM 417 CB GLU A 23 -25.129 2.646 2.882 1.00 0.00 C ATOM 418 CG GLU A 23 -26.006 3.887 2.902 1.00 0.00 C ATOM 419 CD GLU A 23 -27.342 3.669 2.219 1.00 0.00 C ATOM 420 OE1 GLU A 23 -27.631 2.515 1.837 1.00 0.00 O ATOM 421 OE2 GLU A 23 -28.097 4.651 2.065 1.00 0.00 O ATOM 0 H GLU A 23 -22.880 1.326 2.726 1.00 0.00 H new ATOM 0 HA GLU A 23 -24.790 2.433 0.770 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -25.766 1.761 2.891 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -24.532 2.619 3.793 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -26.176 4.191 3.935 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -25.481 4.706 2.411 1.00 0.00 H new ATOM 428 N PRO A 24 -23.907 4.775 0.669 1.00 0.00 N ATOM 429 CA PRO A 24 -23.275 6.076 0.429 1.00 0.00 C ATOM 430 C PRO A 24 -23.412 7.016 1.621 1.00 0.00 C ATOM 431 O PRO A 24 -24.362 7.792 1.706 1.00 0.00 O ATOM 432 CB PRO A 24 -24.041 6.626 -0.777 1.00 0.00 C ATOM 433 CG PRO A 24 -25.369 5.954 -0.720 1.00 0.00 C ATOM 434 CD PRO A 24 -25.117 4.586 -0.149 1.00 0.00 C ATOM 0 HA PRO A 24 -22.202 5.983 0.263 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -24.143 7.710 -0.721 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -23.524 6.403 -1.710 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -26.064 6.515 -0.096 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -25.815 5.887 -1.712 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -25.958 4.240 0.452 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -24.960 3.846 -0.934 1.00 0.00 H new ATOM 442 N GLY A 25 -22.455 6.941 2.542 1.00 0.00 N ATOM 443 CA GLY A 25 -22.488 7.791 3.717 1.00 0.00 C ATOM 444 C GLY A 25 -22.289 7.012 5.002 1.00 0.00 C ATOM 445 O GLY A 25 -21.767 7.543 5.983 1.00 0.00 O ATOM 0 H GLY A 25 -21.658 6.306 2.495 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -21.712 8.552 3.633 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -23.444 8.314 3.757 1.00 0.00 H new ATOM 449 N ILE A 26 -22.708 5.751 4.998 1.00 0.00 N ATOM 450 CA ILE A 26 -22.573 4.899 6.173 1.00 0.00 C ATOM 451 C ILE A 26 -21.399 3.938 6.023 1.00 0.00 C ATOM 452 O ILE A 26 -20.480 3.932 6.842 1.00 0.00 O ATOM 453 CB ILE A 26 -23.857 4.087 6.429 1.00 0.00 C ATOM 454 CG1 ILE A 26 -25.006 5.018 6.820 1.00 0.00 C ATOM 455 CG2 ILE A 26 -23.618 3.047 7.513 1.00 0.00 C ATOM 456 CD1 ILE A 26 -25.250 6.129 5.823 1.00 0.00 C ATOM 0 H ILE A 26 -23.143 5.297 4.195 1.00 0.00 H new ATOM 0 HA ILE A 26 -22.394 5.558 7.022 1.00 0.00 H new ATOM 0 HB ILE A 26 -24.131 3.569 5.510 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -25.918 4.431 6.928 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -24.792 5.456 7.795 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -24.534 2.481 7.683 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -22.826 2.368 7.198 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -23.323 3.545 8.436 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -26.078 6.749 6.165 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -24.352 6.740 5.732 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -25.496 5.699 4.852 1.00 0.00 H new ATOM 468 N SER A 27 -21.435 3.127 4.970 1.00 0.00 N ATOM 469 CA SER A 27 -20.375 2.159 4.714 1.00 0.00 C ATOM 470 C SER A 27 -20.090 2.049 3.219 1.00 0.00 C ATOM 471 O SER A 27 -20.997 2.154 2.393 1.00 0.00 O ATOM 472 CB SER A 27 -20.759 0.788 5.273 1.00 0.00 C ATOM 473 OG SER A 27 -21.532 0.055 4.339 1.00 0.00 O ATOM 0 H SER A 27 -22.187 3.121 4.281 1.00 0.00 H new ATOM 0 HA SER A 27 -19.472 2.507 5.215 1.00 0.00 H new ATOM 0 HB2 SER A 27 -19.858 0.228 5.523 1.00 0.00 H new ATOM 0 HB3 SER A 27 -21.323 0.914 6.197 1.00 0.00 H new ATOM 0 HG SER A 27 -21.763 -0.818 4.719 1.00 0.00 H new ATOM 479 N CYS A 28 -18.823 1.837 2.878 1.00 0.00 N ATOM 480 CA CYS A 28 -18.416 1.713 1.484 1.00 0.00 C ATOM 481 C CYS A 28 -18.028 0.274 1.156 1.00 0.00 C ATOM 482 O CYS A 28 -17.852 -0.551 2.053 1.00 0.00 O ATOM 483 CB CYS A 28 -17.242 2.649 1.188 1.00 0.00 C ATOM 484 SG CYS A 28 -15.708 2.220 2.072 1.00 0.00 S ATOM 0 H CYS A 28 -18.060 1.747 3.549 1.00 0.00 H new ATOM 0 HA CYS A 28 -19.263 1.994 0.858 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -17.045 2.640 0.116 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -17.528 3.667 1.451 1.00 0.00 H new ATOM 489 N ASP A 29 -17.898 -0.019 -0.133 1.00 0.00 N ATOM 490 CA ASP A 29 -17.530 -1.357 -0.579 1.00 0.00 C ATOM 491 C ASP A 29 -16.122 -1.717 -0.115 1.00 0.00 C ATOM 492 O ASP A 29 -15.247 -0.854 -0.023 1.00 0.00 O ATOM 493 CB ASP A 29 -17.617 -1.451 -2.103 1.00 0.00 C ATOM 494 CG ASP A 29 -18.777 -0.655 -2.667 1.00 0.00 C ATOM 495 OD1 ASP A 29 -18.685 0.590 -2.695 1.00 0.00 O ATOM 496 OD2 ASP A 29 -19.778 -1.277 -3.082 1.00 0.00 O ATOM 0 H ASP A 29 -18.042 0.652 -0.887 1.00 0.00 H new ATOM 0 HA ASP A 29 -18.231 -2.066 -0.138 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -16.686 -1.090 -2.540 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -17.722 -2.496 -2.394 1.00 0.00 H new ATOM 501 N LEU A 30 -15.910 -2.995 0.178 1.00 0.00 N ATOM 502 CA LEU A 30 -14.608 -3.470 0.634 1.00 0.00 C ATOM 503 C LEU A 30 -13.698 -3.785 -0.549 1.00 0.00 C ATOM 504 O LEU A 30 -14.166 -4.183 -1.616 1.00 0.00 O ATOM 505 CB LEU A 30 -14.774 -4.713 1.509 1.00 0.00 C ATOM 506 CG LEU A 30 -15.091 -4.459 2.983 1.00 0.00 C ATOM 507 CD1 LEU A 30 -15.735 -5.686 3.610 1.00 0.00 C ATOM 508 CD2 LEU A 30 -13.830 -4.071 3.741 1.00 0.00 C ATOM 0 H LEU A 30 -16.623 -3.721 0.108 1.00 0.00 H new ATOM 0 HA LEU A 30 -14.146 -2.678 1.223 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -15.571 -5.326 1.087 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -13.857 -5.299 1.451 1.00 0.00 H new ATOM 0 HG LEU A 30 -15.797 -3.631 3.045 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -15.953 -5.486 4.659 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -16.661 -5.919 3.085 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -15.053 -6.533 3.536 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -14.075 -3.894 4.788 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -13.100 -4.878 3.670 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -13.410 -3.163 3.308 1.00 0.00 H new ATOM 520 N ILE A 31 -12.396 -3.605 -0.351 1.00 0.00 N ATOM 521 CA ILE A 31 -11.421 -3.873 -1.401 1.00 0.00 C ATOM 522 C ILE A 31 -10.167 -4.529 -0.831 1.00 0.00 C ATOM 523 O ILE A 31 -9.694 -4.159 0.243 1.00 0.00 O ATOM 524 CB ILE A 31 -11.021 -2.583 -2.141 1.00 0.00 C ATOM 525 CG1 ILE A 31 -10.436 -1.566 -1.159 1.00 0.00 C ATOM 526 CG2 ILE A 31 -12.222 -1.996 -2.868 1.00 0.00 C ATOM 527 CD1 ILE A 31 -8.934 -1.666 -1.008 1.00 0.00 C ATOM 0 H ILE A 31 -11.993 -3.275 0.526 1.00 0.00 H new ATOM 0 HA ILE A 31 -11.896 -4.554 -2.107 1.00 0.00 H new ATOM 0 HB ILE A 31 -10.257 -2.827 -2.879 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -10.693 -0.561 -1.493 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -10.901 -1.706 -0.183 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -11.924 -1.085 -3.386 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -12.598 -2.719 -3.592 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -13.006 -1.763 -2.147 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -8.589 -0.915 -0.297 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -8.670 -2.659 -0.644 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -8.459 -1.496 -1.974 1.00 0.00 H new ATOM 539 N GLY A 32 -9.632 -5.503 -1.561 1.00 0.00 N ATOM 540 CA GLY A 32 -8.436 -6.194 -1.113 1.00 0.00 C ATOM 541 C GLY A 32 -7.181 -5.370 -1.317 1.00 0.00 C ATOM 542 O GLY A 32 -7.039 -4.679 -2.326 1.00 0.00 O ATOM 0 H GLY A 32 -10.005 -5.826 -2.454 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -8.537 -6.441 -0.056 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -8.340 -7.136 -1.653 1.00 0.00 H new ATOM 546 N CYS A 33 -6.266 -5.440 -0.355 1.00 0.00 N ATOM 547 CA CYS A 33 -5.016 -4.694 -0.431 1.00 0.00 C ATOM 548 C CYS A 33 -4.418 -4.776 -1.833 1.00 0.00 C ATOM 549 O CYS A 33 -4.341 -5.844 -2.441 1.00 0.00 O ATOM 550 CB CYS A 33 -4.015 -5.229 0.594 1.00 0.00 C ATOM 551 SG CYS A 33 -2.592 -4.130 0.887 1.00 0.00 S ATOM 0 H CYS A 33 -6.368 -6.007 0.487 1.00 0.00 H new ATOM 0 HA CYS A 33 -5.231 -3.649 -0.207 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -4.533 -5.395 1.539 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -3.648 -6.198 0.256 1.00 0.00 H new ATOM 556 N PRO A 34 -3.984 -3.621 -2.360 1.00 0.00 N ATOM 557 CA PRO A 34 -3.385 -3.536 -3.695 1.00 0.00 C ATOM 558 C PRO A 34 -2.011 -4.193 -3.756 1.00 0.00 C ATOM 559 O PRO A 34 -1.395 -4.271 -4.820 1.00 0.00 O ATOM 560 CB PRO A 34 -3.267 -2.028 -3.935 1.00 0.00 C ATOM 561 CG PRO A 34 -3.199 -1.432 -2.571 1.00 0.00 C ATOM 562 CD PRO A 34 -4.045 -2.310 -1.692 1.00 0.00 C ATOM 0 HA PRO A 34 -3.983 -4.056 -4.444 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -2.377 -1.788 -4.517 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -4.124 -1.647 -4.491 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -2.170 -1.396 -2.212 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -3.572 -0.408 -2.574 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -3.653 -2.358 -0.676 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -5.069 -1.942 -1.622 1.00 0.00 H new ATOM 570 N LEU A 35 -1.535 -4.667 -2.610 1.00 0.00 N ATOM 571 CA LEU A 35 -0.232 -5.319 -2.533 1.00 0.00 C ATOM 572 C LEU A 35 -0.379 -6.781 -2.123 1.00 0.00 C ATOM 573 O LEU A 35 0.581 -7.411 -1.679 1.00 0.00 O ATOM 574 CB LEU A 35 0.670 -4.586 -1.539 1.00 0.00 C ATOM 575 CG LEU A 35 1.106 -3.177 -1.941 1.00 0.00 C ATOM 576 CD1 LEU A 35 1.649 -2.423 -0.737 1.00 0.00 C ATOM 577 CD2 LEU A 35 2.147 -3.237 -3.050 1.00 0.00 C ATOM 0 H LEU A 35 -2.032 -4.612 -1.721 1.00 0.00 H new ATOM 0 HA LEU A 35 0.224 -5.282 -3.522 1.00 0.00 H new ATOM 0 HB2 LEU A 35 0.149 -4.525 -0.583 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.564 -5.189 -1.377 1.00 0.00 H new ATOM 0 HG LEU A 35 0.235 -2.641 -2.317 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.955 -1.422 -1.042 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.874 -2.349 0.026 1.00 0.00 H new ATOM 0 HD13 LEU A 35 2.508 -2.957 -0.331 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.446 -2.225 -3.324 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.019 -3.791 -2.701 1.00 0.00 H new ATOM 0 HD23 LEU A 35 1.723 -3.738 -3.920 1.00 0.00 H new ATOM 589 N VAL A 36 -1.586 -7.315 -2.276 1.00 0.00 N ATOM 590 CA VAL A 36 -1.858 -8.704 -1.925 1.00 0.00 C ATOM 591 C VAL A 36 -1.212 -9.070 -0.593 1.00 0.00 C ATOM 592 O VAL A 36 -0.730 -10.189 -0.411 1.00 0.00 O ATOM 593 CB VAL A 36 -1.349 -9.668 -3.012 1.00 0.00 C ATOM 594 CG1 VAL A 36 -1.974 -9.334 -4.358 1.00 0.00 C ATOM 595 CG2 VAL A 36 0.170 -9.623 -3.095 1.00 0.00 C ATOM 0 H VAL A 36 -2.392 -6.807 -2.641 1.00 0.00 H new ATOM 0 HA VAL A 36 -2.940 -8.803 -1.841 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.646 -10.681 -2.742 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -1.602 -10.026 -5.114 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -3.058 -9.422 -4.288 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.710 -8.314 -4.639 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.513 -10.310 -3.868 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.491 -8.611 -3.341 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.596 -9.915 -2.135 1.00 0.00 H new ATOM 605 N CYS A 37 -1.207 -8.121 0.336 1.00 0.00 N ATOM 606 CA CYS A 37 -0.621 -8.342 1.653 1.00 0.00 C ATOM 607 C CYS A 37 -1.374 -9.435 2.407 1.00 0.00 C ATOM 608 O CYS A 37 -0.814 -10.103 3.274 1.00 0.00 O ATOM 609 CB CYS A 37 -0.633 -7.045 2.464 1.00 0.00 C ATOM 610 SG CYS A 37 -2.178 -6.761 3.387 1.00 0.00 S ATOM 0 H CYS A 37 -1.602 -7.190 0.202 1.00 0.00 H new ATOM 0 HA CYS A 37 0.411 -8.666 1.515 1.00 0.00 H new ATOM 0 HB2 CYS A 37 0.200 -7.060 3.167 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -0.465 -6.205 1.789 1.00 0.00 H new ATOM 615 N GLY A 38 -2.648 -9.609 2.068 1.00 0.00 N ATOM 616 CA GLY A 38 -3.457 -10.621 2.722 1.00 0.00 C ATOM 617 C GLY A 38 -4.390 -10.034 3.762 1.00 0.00 C ATOM 618 O GLY A 38 -4.476 -10.535 4.883 1.00 0.00 O ATOM 0 H GLY A 38 -3.134 -9.068 1.353 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -4.042 -11.154 1.973 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -2.804 -11.353 3.196 1.00 0.00 H new ATOM 622 N ALA A 39 -5.091 -8.967 3.392 1.00 0.00 N ATOM 623 CA ALA A 39 -6.023 -8.312 4.301 1.00 0.00 C ATOM 624 C ALA A 39 -7.135 -7.607 3.532 1.00 0.00 C ATOM 625 O ALA A 39 -6.902 -7.034 2.468 1.00 0.00 O ATOM 626 CB ALA A 39 -5.284 -7.322 5.190 1.00 0.00 C ATOM 0 H ALA A 39 -5.031 -8.538 2.469 1.00 0.00 H new ATOM 0 HA ALA A 39 -6.480 -9.077 4.929 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -5.992 -6.840 5.864 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -4.529 -7.850 5.773 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -4.801 -6.567 4.570 1.00 0.00 H new ATOM 632 N VAL A 40 -8.347 -7.653 4.078 1.00 0.00 N ATOM 633 CA VAL A 40 -9.496 -7.018 3.444 1.00 0.00 C ATOM 634 C VAL A 40 -9.989 -5.831 4.263 1.00 0.00 C ATOM 635 O VAL A 40 -10.426 -5.989 5.403 1.00 0.00 O ATOM 636 CB VAL A 40 -10.654 -8.016 3.255 1.00 0.00 C ATOM 637 CG1 VAL A 40 -11.806 -7.361 2.508 1.00 0.00 C ATOM 638 CG2 VAL A 40 -10.172 -9.260 2.524 1.00 0.00 C ATOM 0 H VAL A 40 -8.558 -8.124 4.958 1.00 0.00 H new ATOM 0 HA VAL A 40 -9.166 -6.667 2.466 1.00 0.00 H new ATOM 0 HB VAL A 40 -11.015 -8.318 4.238 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -12.615 -8.081 2.384 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -12.167 -6.504 3.076 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -11.462 -7.029 1.528 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -11.003 -9.954 2.399 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -9.784 -8.979 1.545 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -9.383 -9.740 3.103 1.00 0.00 H new ATOM 648 N PHE A 41 -9.918 -4.642 3.674 1.00 0.00 N ATOM 649 CA PHE A 41 -10.358 -3.427 4.349 1.00 0.00 C ATOM 650 C PHE A 41 -11.213 -2.569 3.422 1.00 0.00 C ATOM 651 O PHE A 41 -11.248 -2.788 2.211 1.00 0.00 O ATOM 652 CB PHE A 41 -9.150 -2.624 4.836 1.00 0.00 C ATOM 653 CG PHE A 41 -7.944 -2.758 3.951 1.00 0.00 C ATOM 654 CD1 PHE A 41 -7.081 -3.832 4.092 1.00 0.00 C ATOM 655 CD2 PHE A 41 -7.674 -1.809 2.978 1.00 0.00 C ATOM 656 CE1 PHE A 41 -5.970 -3.959 3.278 1.00 0.00 C ATOM 657 CE2 PHE A 41 -6.565 -1.930 2.162 1.00 0.00 C ATOM 658 CZ PHE A 41 -5.712 -3.006 2.313 1.00 0.00 C ATOM 0 H PHE A 41 -9.560 -4.494 2.730 1.00 0.00 H new ATOM 0 HA PHE A 41 -10.964 -3.717 5.208 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -9.426 -1.572 4.903 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -8.890 -2.950 5.843 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -7.278 -4.579 4.847 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -8.337 -0.966 2.856 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -5.306 -4.802 3.397 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -6.366 -1.184 1.407 1.00 0.00 H new ATOM 0 HZ PHE A 41 -4.844 -3.102 1.677 1.00 0.00 H new ATOM 668 N HIS A 42 -11.903 -1.590 4.000 1.00 0.00 N ATOM 669 CA HIS A 42 -12.759 -0.698 3.226 1.00 0.00 C ATOM 670 C HIS A 42 -11.924 0.276 2.401 1.00 0.00 C ATOM 671 O HIS A 42 -10.953 0.850 2.895 1.00 0.00 O ATOM 672 CB HIS A 42 -13.696 0.076 4.154 1.00 0.00 C ATOM 673 CG HIS A 42 -14.867 -0.729 4.629 1.00 0.00 C ATOM 674 ND1 HIS A 42 -16.050 -0.823 3.928 1.00 0.00 N ATOM 675 CD2 HIS A 42 -15.031 -1.481 5.743 1.00 0.00 C ATOM 676 CE1 HIS A 42 -16.892 -1.596 4.590 1.00 0.00 C ATOM 677 NE2 HIS A 42 -16.298 -2.008 5.695 1.00 0.00 N ATOM 0 H HIS A 42 -11.886 -1.395 5.001 1.00 0.00 H new ATOM 0 HA HIS A 42 -13.354 -1.306 2.545 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -13.131 0.426 5.018 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -14.061 0.961 3.633 1.00 0.00 H new ATOM 0 HD1 HIS A 42 -16.245 -0.367 3.037 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -14.301 -1.637 6.524 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -17.895 -1.848 4.280 1.00 0.00 H new ATOM 685 N SER A 43 -12.307 0.456 1.141 1.00 0.00 N ATOM 686 CA SER A 43 -11.590 1.356 0.245 1.00 0.00 C ATOM 687 C SER A 43 -11.185 2.636 0.971 1.00 0.00 C ATOM 688 O SER A 43 -10.091 3.161 0.765 1.00 0.00 O ATOM 689 CB SER A 43 -12.456 1.698 -0.969 1.00 0.00 C ATOM 690 OG SER A 43 -13.569 2.491 -0.596 1.00 0.00 O ATOM 0 H SER A 43 -13.110 -0.009 0.717 1.00 0.00 H new ATOM 0 HA SER A 43 -10.687 0.849 -0.093 1.00 0.00 H new ATOM 0 HB2 SER A 43 -11.857 2.231 -1.708 1.00 0.00 H new ATOM 0 HB3 SER A 43 -12.803 0.779 -1.442 1.00 0.00 H new ATOM 0 HG SER A 43 -13.973 2.125 0.218 1.00 0.00 H new ATOM 696 N CYS A 44 -12.077 3.133 1.822 1.00 0.00 N ATOM 697 CA CYS A 44 -11.815 4.351 2.579 1.00 0.00 C ATOM 698 C CYS A 44 -10.738 4.115 3.634 1.00 0.00 C ATOM 699 O CYS A 44 -9.876 4.965 3.858 1.00 0.00 O ATOM 700 CB CYS A 44 -13.099 4.846 3.248 1.00 0.00 C ATOM 701 SG CYS A 44 -13.548 3.935 4.761 1.00 0.00 S ATOM 0 H CYS A 44 -12.987 2.711 2.004 1.00 0.00 H new ATOM 0 HA CYS A 44 -11.458 5.111 1.884 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -12.985 5.902 3.493 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -13.920 4.771 2.535 1.00 0.00 H new ATOM 706 N LYS A 45 -10.792 2.955 4.278 1.00 0.00 N ATOM 707 CA LYS A 45 -9.821 2.604 5.308 1.00 0.00 C ATOM 708 C LYS A 45 -8.453 2.326 4.693 1.00 0.00 C ATOM 709 O LYS A 45 -7.421 2.629 5.291 1.00 0.00 O ATOM 710 CB LYS A 45 -10.298 1.380 6.092 1.00 0.00 C ATOM 711 CG LYS A 45 -11.649 1.573 6.760 1.00 0.00 C ATOM 712 CD LYS A 45 -11.566 2.565 7.909 1.00 0.00 C ATOM 713 CE LYS A 45 -11.264 1.867 9.226 1.00 0.00 C ATOM 714 NZ LYS A 45 -9.799 1.746 9.466 1.00 0.00 N ATOM 0 H LYS A 45 -11.499 2.240 4.105 1.00 0.00 H new ATOM 0 HA LYS A 45 -9.729 3.450 5.989 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -10.355 0.526 5.417 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -9.557 1.136 6.853 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -12.372 1.926 6.025 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -12.013 0.615 7.131 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -10.790 3.302 7.700 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -12.507 3.108 7.991 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -11.722 2.422 10.045 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -11.715 0.875 9.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -9.560 2.182 10.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -9.532 0.741 9.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -9.281 2.230 8.705 1.00 0.00 H new ATOM 728 N ALA A 46 -8.453 1.749 3.496 1.00 0.00 N ATOM 729 CA ALA A 46 -7.212 1.434 2.800 1.00 0.00 C ATOM 730 C ALA A 46 -6.143 2.485 3.080 1.00 0.00 C ATOM 731 O ALA A 46 -5.090 2.179 3.640 1.00 0.00 O ATOM 732 CB ALA A 46 -7.462 1.319 1.303 1.00 0.00 C ATOM 0 H ALA A 46 -9.299 1.490 2.988 1.00 0.00 H new ATOM 0 HA ALA A 46 -6.849 0.476 3.172 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -6.527 1.083 0.795 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -8.187 0.527 1.115 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -7.852 2.264 0.926 1.00 0.00 H new ATOM 738 N ASP A 47 -6.420 3.723 2.688 1.00 0.00 N ATOM 739 CA ASP A 47 -5.482 4.820 2.898 1.00 0.00 C ATOM 740 C ASP A 47 -4.803 4.701 4.259 1.00 0.00 C ATOM 741 O ASP A 47 -3.595 4.905 4.380 1.00 0.00 O ATOM 742 CB ASP A 47 -6.203 6.164 2.790 1.00 0.00 C ATOM 743 CG ASP A 47 -6.741 6.641 4.125 1.00 0.00 C ATOM 744 OD1 ASP A 47 -5.931 7.076 4.971 1.00 0.00 O ATOM 745 OD2 ASP A 47 -7.972 6.581 4.324 1.00 0.00 O ATOM 0 H ASP A 47 -7.287 3.993 2.223 1.00 0.00 H new ATOM 0 HA ASP A 47 -4.717 4.764 2.124 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -5.516 6.910 2.391 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -7.026 6.076 2.080 1.00 0.00 H new ATOM 750 N GLU A 48 -5.587 4.370 5.280 1.00 0.00 N ATOM 751 CA GLU A 48 -5.061 4.226 6.632 1.00 0.00 C ATOM 752 C GLU A 48 -4.362 2.880 6.803 1.00 0.00 C ATOM 753 O GLU A 48 -3.279 2.799 7.384 1.00 0.00 O ATOM 754 CB GLU A 48 -6.187 4.363 7.659 1.00 0.00 C ATOM 755 CG GLU A 48 -6.652 5.794 7.865 1.00 0.00 C ATOM 756 CD GLU A 48 -5.685 6.607 8.703 1.00 0.00 C ATOM 757 OE1 GLU A 48 -5.248 6.106 9.760 1.00 0.00 O ATOM 758 OE2 GLU A 48 -5.365 7.746 8.301 1.00 0.00 O ATOM 0 H GLU A 48 -6.589 4.197 5.196 1.00 0.00 H new ATOM 0 HA GLU A 48 -4.331 5.019 6.797 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -7.035 3.757 7.339 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -5.848 3.959 8.613 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -6.778 6.274 6.895 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -7.629 5.789 8.348 1.00 0.00 H new ATOM 765 N HIS A 49 -4.989 1.825 6.293 1.00 0.00 N ATOM 766 CA HIS A 49 -4.429 0.482 6.388 1.00 0.00 C ATOM 767 C HIS A 49 -2.987 0.458 5.890 1.00 0.00 C ATOM 768 O HIS A 49 -2.103 -0.098 6.542 1.00 0.00 O ATOM 769 CB HIS A 49 -5.275 -0.506 5.585 1.00 0.00 C ATOM 770 CG HIS A 49 -4.560 -1.781 5.260 1.00 0.00 C ATOM 771 ND1 HIS A 49 -4.549 -2.873 6.102 1.00 0.00 N ATOM 772 CD2 HIS A 49 -3.831 -2.136 4.176 1.00 0.00 C ATOM 773 CE1 HIS A 49 -3.842 -3.844 5.551 1.00 0.00 C ATOM 774 NE2 HIS A 49 -3.396 -3.422 4.381 1.00 0.00 N ATOM 0 H HIS A 49 -5.886 1.874 5.809 1.00 0.00 H new ATOM 0 HA HIS A 49 -4.438 0.186 7.437 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -6.179 -0.739 6.148 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -5.592 -0.030 4.657 1.00 0.00 H new ATOM 0 HD1 HIS A 49 -5.014 -2.923 7.008 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -3.629 -1.522 3.311 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -3.660 -4.817 5.983 1.00 0.00 H new ATOM 782 N ARG A 50 -2.757 1.064 4.729 1.00 0.00 N ATOM 783 CA ARG A 50 -1.423 1.111 4.143 1.00 0.00 C ATOM 784 C ARG A 50 -0.379 1.471 5.195 1.00 0.00 C ATOM 785 O ARG A 50 0.699 0.876 5.245 1.00 0.00 O ATOM 786 CB ARG A 50 -1.381 2.125 2.998 1.00 0.00 C ATOM 787 CG ARG A 50 -1.974 1.604 1.700 1.00 0.00 C ATOM 788 CD ARG A 50 -1.922 2.655 0.602 1.00 0.00 C ATOM 789 NE ARG A 50 -0.638 2.657 -0.094 1.00 0.00 N ATOM 790 CZ ARG A 50 -0.183 3.690 -0.794 1.00 0.00 C ATOM 791 NH1 ARG A 50 -0.904 4.799 -0.890 1.00 0.00 N ATOM 792 NH2 ARG A 50 0.996 3.615 -1.399 1.00 0.00 N ATOM 0 H ARG A 50 -3.477 1.529 4.176 1.00 0.00 H new ATOM 0 HA ARG A 50 -1.191 0.121 3.751 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -1.921 3.023 3.299 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -0.346 2.419 2.822 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -1.429 0.716 1.381 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -3.008 1.301 1.867 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -2.722 2.470 -0.115 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -2.102 3.640 1.034 1.00 0.00 H new ATOM 0 HE ARG A 50 -0.059 1.819 -0.040 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -1.810 4.860 -0.426 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -0.552 5.591 -1.428 1.00 0.00 H new ATOM 0 HH21 ARG A 50 1.553 2.764 -1.327 1.00 0.00 H new ATOM 0 HH22 ARG A 50 1.345 4.409 -1.936 1.00 0.00 H new ATOM 806 N LEU A 51 -0.704 2.449 6.033 1.00 0.00 N ATOM 807 CA LEU A 51 0.206 2.890 7.084 1.00 0.00 C ATOM 808 C LEU A 51 0.722 1.703 7.892 1.00 0.00 C ATOM 809 O LEU A 51 1.903 1.636 8.233 1.00 0.00 O ATOM 810 CB LEU A 51 -0.496 3.884 8.010 1.00 0.00 C ATOM 811 CG LEU A 51 -0.837 5.244 7.400 1.00 0.00 C ATOM 812 CD1 LEU A 51 -1.889 5.956 8.237 1.00 0.00 C ATOM 813 CD2 LEU A 51 0.414 6.100 7.272 1.00 0.00 C ATOM 0 H LEU A 51 -1.591 2.952 6.005 1.00 0.00 H new ATOM 0 HA LEU A 51 1.056 3.381 6.611 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.419 3.427 8.368 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.138 4.048 8.882 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.245 5.081 6.402 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.119 6.922 7.788 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.794 5.350 8.277 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.509 6.107 9.247 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.152 7.064 6.836 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.852 6.255 8.258 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.136 5.596 6.630 1.00 0.00 H new ATOM 825 N LEU A 52 -0.171 0.766 8.191 1.00 0.00 N ATOM 826 CA LEU A 52 0.193 -0.421 8.957 1.00 0.00 C ATOM 827 C LEU A 52 0.740 -1.512 8.041 1.00 0.00 C ATOM 828 O LEU A 52 1.817 -2.058 8.283 1.00 0.00 O ATOM 829 CB LEU A 52 -1.018 -0.947 9.728 1.00 0.00 C ATOM 830 CG LEU A 52 -1.692 0.045 10.676 1.00 0.00 C ATOM 831 CD1 LEU A 52 -2.818 0.782 9.967 1.00 0.00 C ATOM 832 CD2 LEU A 52 -2.217 -0.671 11.912 1.00 0.00 C ATOM 0 H LEU A 52 -1.152 0.805 7.915 1.00 0.00 H new ATOM 0 HA LEU A 52 0.972 -0.141 9.666 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.760 -1.292 9.008 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -0.706 -1.817 10.306 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.949 0.777 10.992 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -3.285 1.483 10.658 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.415 1.327 9.114 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -3.561 0.064 9.621 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -2.694 0.051 12.576 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -2.945 -1.426 11.614 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -1.389 -1.152 12.433 1.00 0.00 H new ATOM 844 N CYS A 53 -0.007 -1.824 6.988 1.00 0.00 N ATOM 845 CA CYS A 53 0.402 -2.848 6.035 1.00 0.00 C ATOM 846 C CYS A 53 1.921 -2.879 5.889 1.00 0.00 C ATOM 847 O CYS A 53 2.564 -1.867 5.613 1.00 0.00 O ATOM 848 CB CYS A 53 -0.246 -2.595 4.673 1.00 0.00 C ATOM 849 SG CYS A 53 0.082 -3.895 3.439 1.00 0.00 S ATOM 0 H CYS A 53 -0.900 -1.381 6.773 1.00 0.00 H new ATOM 0 HA CYS A 53 0.070 -3.815 6.414 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -1.324 -2.500 4.807 1.00 0.00 H new ATOM 0 HB3 CYS A 53 0.112 -1.642 4.284 1.00 0.00 H new ATOM 854 N PRO A 54 2.509 -4.070 6.080 1.00 0.00 N ATOM 855 CA PRO A 54 3.958 -4.263 5.974 1.00 0.00 C ATOM 856 C PRO A 54 4.457 -4.136 4.539 1.00 0.00 C ATOM 857 O PRO A 54 5.451 -3.460 4.274 1.00 0.00 O ATOM 858 CB PRO A 54 4.164 -5.690 6.488 1.00 0.00 C ATOM 859 CG PRO A 54 2.863 -6.373 6.241 1.00 0.00 C ATOM 860 CD PRO A 54 1.804 -5.319 6.412 1.00 0.00 C ATOM 0 HA PRO A 54 4.511 -3.509 6.534 1.00 0.00 H new ATOM 0 HB2 PRO A 54 4.978 -6.187 5.961 1.00 0.00 H new ATOM 0 HB3 PRO A 54 4.419 -5.696 7.548 1.00 0.00 H new ATOM 0 HG2 PRO A 54 2.830 -6.800 5.239 1.00 0.00 H new ATOM 0 HG3 PRO A 54 2.714 -7.194 6.942 1.00 0.00 H new ATOM 0 HD2 PRO A 54 0.956 -5.490 5.749 1.00 0.00 H new ATOM 0 HD3 PRO A 54 1.414 -5.302 7.430 1.00 0.00 H new ATOM 868 N PHE A 55 3.760 -4.790 3.615 1.00 0.00 N ATOM 869 CA PHE A 55 4.133 -4.750 2.206 1.00 0.00 C ATOM 870 C PHE A 55 4.435 -3.322 1.763 1.00 0.00 C ATOM 871 O PHE A 55 5.388 -3.079 1.024 1.00 0.00 O ATOM 872 CB PHE A 55 3.013 -5.337 1.344 1.00 0.00 C ATOM 873 CG PHE A 55 3.138 -6.818 1.126 1.00 0.00 C ATOM 874 CD1 PHE A 55 3.332 -7.675 2.197 1.00 0.00 C ATOM 875 CD2 PHE A 55 3.061 -7.353 -0.150 1.00 0.00 C ATOM 876 CE1 PHE A 55 3.448 -9.038 1.999 1.00 0.00 C ATOM 877 CE2 PHE A 55 3.175 -8.715 -0.354 1.00 0.00 C ATOM 878 CZ PHE A 55 3.369 -9.559 0.722 1.00 0.00 C ATOM 0 H PHE A 55 2.934 -5.354 3.817 1.00 0.00 H new ATOM 0 HA PHE A 55 5.034 -5.349 2.077 1.00 0.00 H new ATOM 0 HB2 PHE A 55 2.054 -5.127 1.817 1.00 0.00 H new ATOM 0 HB3 PHE A 55 3.008 -4.835 0.377 1.00 0.00 H new ATOM 0 HD1 PHE A 55 3.393 -7.274 3.198 1.00 0.00 H new ATOM 0 HD2 PHE A 55 2.910 -6.698 -0.995 1.00 0.00 H new ATOM 0 HE1 PHE A 55 3.600 -9.695 2.842 1.00 0.00 H new ATOM 0 HE2 PHE A 55 3.112 -9.119 -1.354 1.00 0.00 H new ATOM 0 HZ PHE A 55 3.459 -10.624 0.565 1.00 0.00 H new ATOM 888 N GLU A 56 3.616 -2.380 2.221 1.00 0.00 N ATOM 889 CA GLU A 56 3.795 -0.976 1.872 1.00 0.00 C ATOM 890 C GLU A 56 5.276 -0.635 1.730 1.00 0.00 C ATOM 891 O GLU A 56 6.079 -0.929 2.615 1.00 0.00 O ATOM 892 CB GLU A 56 3.153 -0.078 2.931 1.00 0.00 C ATOM 893 CG GLU A 56 2.847 1.325 2.434 1.00 0.00 C ATOM 894 CD GLU A 56 4.087 2.061 1.964 1.00 0.00 C ATOM 895 OE1 GLU A 56 4.964 2.344 2.806 1.00 0.00 O ATOM 896 OE2 GLU A 56 4.179 2.354 0.753 1.00 0.00 O ATOM 0 H GLU A 56 2.822 -2.564 2.835 1.00 0.00 H new ATOM 0 HA GLU A 56 3.306 -0.802 0.914 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.229 -0.542 3.277 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.818 -0.013 3.792 1.00 0.00 H new ATOM 0 HG2 GLU A 56 2.131 1.268 1.615 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.372 1.894 3.233 1.00 0.00 H new ATOM 903 N ARG A 57 5.629 -0.014 0.609 1.00 0.00 N ATOM 904 CA ARG A 57 7.013 0.365 0.350 1.00 0.00 C ATOM 905 C ARG A 57 7.534 1.297 1.439 1.00 0.00 C ATOM 906 O ARG A 57 7.049 2.418 1.597 1.00 0.00 O ATOM 907 CB ARG A 57 7.131 1.043 -1.016 1.00 0.00 C ATOM 908 CG ARG A 57 8.565 1.315 -1.440 1.00 0.00 C ATOM 909 CD ARG A 57 9.280 0.034 -1.839 1.00 0.00 C ATOM 910 NE ARG A 57 8.873 -0.431 -3.162 1.00 0.00 N ATOM 911 CZ ARG A 57 8.875 -1.709 -3.524 1.00 0.00 C ATOM 912 NH1 ARG A 57 9.260 -2.644 -2.667 1.00 0.00 N ATOM 913 NH2 ARG A 57 8.490 -2.054 -4.746 1.00 0.00 N ATOM 0 H ARG A 57 4.976 0.237 -0.134 1.00 0.00 H new ATOM 0 HA ARG A 57 7.618 -0.542 0.352 1.00 0.00 H new ATOM 0 HB2 ARG A 57 6.652 0.414 -1.767 1.00 0.00 H new ATOM 0 HB3 ARG A 57 6.583 1.985 -0.993 1.00 0.00 H new ATOM 0 HG2 ARG A 57 8.572 2.013 -2.277 1.00 0.00 H new ATOM 0 HG3 ARG A 57 9.103 1.794 -0.622 1.00 0.00 H new ATOM 0 HD2 ARG A 57 10.357 0.202 -1.829 1.00 0.00 H new ATOM 0 HD3 ARG A 57 9.072 -0.742 -1.102 1.00 0.00 H new ATOM 0 HE ARG A 57 8.571 0.263 -3.845 1.00 0.00 H new ATOM 0 HH11 ARG A 57 9.556 -2.383 -1.726 1.00 0.00 H new ATOM 0 HH12 ARG A 57 9.260 -3.624 -2.948 1.00 0.00 H new ATOM 0 HH21 ARG A 57 8.192 -1.338 -5.408 1.00 0.00 H new ATOM 0 HH22 ARG A 57 8.492 -3.036 -5.023 1.00 0.00 H new ATOM 927 N VAL A 58 8.526 0.827 2.189 1.00 0.00 N ATOM 928 CA VAL A 58 9.114 1.618 3.263 1.00 0.00 C ATOM 929 C VAL A 58 10.634 1.649 3.154 1.00 0.00 C ATOM 930 O VAL A 58 11.275 0.667 2.781 1.00 0.00 O ATOM 931 CB VAL A 58 8.721 1.066 4.647 1.00 0.00 C ATOM 932 CG1 VAL A 58 7.208 1.051 4.806 1.00 0.00 C ATOM 933 CG2 VAL A 58 9.300 -0.326 4.848 1.00 0.00 C ATOM 0 H VAL A 58 8.939 -0.098 2.072 1.00 0.00 H new ATOM 0 HA VAL A 58 8.724 2.631 3.160 1.00 0.00 H new ATOM 0 HB VAL A 58 9.136 1.722 5.412 1.00 0.00 H new ATOM 0 HG11 VAL A 58 6.949 0.658 5.789 1.00 0.00 H new ATOM 0 HG12 VAL A 58 6.822 2.065 4.707 1.00 0.00 H new ATOM 0 HG13 VAL A 58 6.767 0.419 4.035 1.00 0.00 H new ATOM 0 HG21 VAL A 58 9.013 -0.701 5.830 1.00 0.00 H new ATOM 0 HG22 VAL A 58 8.916 -0.995 4.078 1.00 0.00 H new ATOM 0 HG23 VAL A 58 10.387 -0.281 4.780 1.00 0.00 H new ATOM 943 N PRO A 59 11.227 2.805 3.488 1.00 0.00 N ATOM 944 CA PRO A 59 12.680 2.993 3.436 1.00 0.00 C ATOM 945 C PRO A 59 13.407 2.196 4.514 1.00 0.00 C ATOM 946 O PRO A 59 12.851 1.922 5.578 1.00 0.00 O ATOM 947 CB PRO A 59 12.853 4.495 3.674 1.00 0.00 C ATOM 948 CG PRO A 59 11.638 4.899 4.437 1.00 0.00 C ATOM 949 CD PRO A 59 10.526 4.018 3.941 1.00 0.00 C ATOM 0 HA PRO A 59 13.102 2.646 2.493 1.00 0.00 H new ATOM 0 HB2 PRO A 59 13.762 4.705 4.237 1.00 0.00 H new ATOM 0 HB3 PRO A 59 12.929 5.039 2.733 1.00 0.00 H new ATOM 0 HG2 PRO A 59 11.789 4.770 5.509 1.00 0.00 H new ATOM 0 HG3 PRO A 59 11.406 5.951 4.272 1.00 0.00 H new ATOM 0 HD2 PRO A 59 9.807 3.796 4.730 1.00 0.00 H new ATOM 0 HD3 PRO A 59 9.972 4.489 3.129 1.00 0.00 H new ATOM 957 N CYS A 60 14.652 1.826 4.233 1.00 0.00 N ATOM 958 CA CYS A 60 15.455 1.061 5.178 1.00 0.00 C ATOM 959 C CYS A 60 15.315 1.622 6.590 1.00 0.00 C ATOM 960 O CYS A 60 15.443 2.828 6.806 1.00 0.00 O ATOM 961 CB CYS A 60 16.925 1.071 4.756 1.00 0.00 C ATOM 962 SG CYS A 60 18.020 0.113 5.852 1.00 0.00 S ATOM 0 H CYS A 60 15.127 2.044 3.357 1.00 0.00 H new ATOM 0 HA CYS A 60 15.091 0.033 5.177 1.00 0.00 H new ATOM 0 HB2 CYS A 60 17.004 0.674 3.744 1.00 0.00 H new ATOM 0 HB3 CYS A 60 17.275 2.103 4.722 1.00 0.00 H new ATOM 967 N LEU A 61 15.053 0.740 7.548 1.00 0.00 N ATOM 968 CA LEU A 61 14.896 1.146 8.941 1.00 0.00 C ATOM 969 C LEU A 61 15.913 2.222 9.312 1.00 0.00 C ATOM 970 O LEU A 61 15.609 3.141 10.070 1.00 0.00 O ATOM 971 CB LEU A 61 15.054 -0.061 9.866 1.00 0.00 C ATOM 972 CG LEU A 61 13.773 -0.833 10.186 1.00 0.00 C ATOM 973 CD1 LEU A 61 14.097 -2.123 10.924 1.00 0.00 C ATOM 974 CD2 LEU A 61 12.822 0.027 11.005 1.00 0.00 C ATOM 0 H LEU A 61 14.945 -0.261 7.386 1.00 0.00 H new ATOM 0 HA LEU A 61 13.895 1.560 9.062 1.00 0.00 H new ATOM 0 HB2 LEU A 61 15.766 -0.750 9.413 1.00 0.00 H new ATOM 0 HB3 LEU A 61 15.493 0.280 10.804 1.00 0.00 H new ATOM 0 HG LEU A 61 13.282 -1.089 9.247 1.00 0.00 H new ATOM 0 HD11 LEU A 61 13.173 -2.659 11.143 1.00 0.00 H new ATOM 0 HD12 LEU A 61 14.739 -2.747 10.302 1.00 0.00 H new ATOM 0 HD13 LEU A 61 14.611 -1.890 11.856 1.00 0.00 H new ATOM 0 HD21 LEU A 61 11.916 -0.539 11.223 1.00 0.00 H new ATOM 0 HD22 LEU A 61 13.304 0.314 11.939 1.00 0.00 H new ATOM 0 HD23 LEU A 61 12.563 0.923 10.440 1.00 0.00 H new ATOM 986 N ASN A 62 17.120 2.100 8.769 1.00 0.00 N ATOM 987 CA ASN A 62 18.181 3.062 9.042 1.00 0.00 C ATOM 988 C ASN A 62 18.220 4.148 7.970 1.00 0.00 C ATOM 989 O ASN A 62 19.291 4.542 7.510 1.00 0.00 O ATOM 990 CB ASN A 62 19.535 2.353 9.115 1.00 0.00 C ATOM 991 CG ASN A 62 19.465 1.053 9.892 1.00 0.00 C ATOM 992 OD1 ASN A 62 19.367 1.054 11.119 1.00 0.00 O ATOM 993 ND2 ASN A 62 19.517 -0.066 9.178 1.00 0.00 N ATOM 0 H ASN A 62 17.387 1.345 8.138 1.00 0.00 H new ATOM 0 HA ASN A 62 17.972 3.532 10.003 1.00 0.00 H new ATOM 0 HB2 ASN A 62 19.891 2.151 8.105 1.00 0.00 H new ATOM 0 HB3 ASN A 62 20.264 3.014 9.583 1.00 0.00 H new ATOM 0 HD21 ASN A 62 19.476 -0.972 9.645 1.00 0.00 H new ATOM 0 HD22 ASN A 62 19.598 -0.020 8.162 1.00 0.00 H new ATOM 1000 N SER A 63 17.044 4.626 7.578 1.00 0.00 N ATOM 1001 CA SER A 63 16.942 5.664 6.559 1.00 0.00 C ATOM 1002 C SER A 63 17.709 6.915 6.978 1.00 0.00 C ATOM 1003 O SER A 63 18.202 7.665 6.137 1.00 0.00 O ATOM 1004 CB SER A 63 15.475 6.014 6.301 1.00 0.00 C ATOM 1005 OG SER A 63 14.828 6.413 7.496 1.00 0.00 O ATOM 0 H SER A 63 16.148 4.311 7.950 1.00 0.00 H new ATOM 0 HA SER A 63 17.383 5.279 5.640 1.00 0.00 H new ATOM 0 HB2 SER A 63 15.413 6.816 5.565 1.00 0.00 H new ATOM 0 HB3 SER A 63 14.961 5.151 5.876 1.00 0.00 H new ATOM 0 HG SER A 63 13.893 6.633 7.304 1.00 0.00 H new ATOM 1011 N ASP A 64 17.804 7.132 8.285 1.00 0.00 N ATOM 1012 CA ASP A 64 18.510 8.291 8.819 1.00 0.00 C ATOM 1013 C ASP A 64 19.956 8.317 8.331 1.00 0.00 C ATOM 1014 O ASP A 64 20.457 9.356 7.901 1.00 0.00 O ATOM 1015 CB ASP A 64 18.475 8.277 10.348 1.00 0.00 C ATOM 1016 CG ASP A 64 17.096 7.961 10.892 1.00 0.00 C ATOM 1017 OD1 ASP A 64 16.175 8.780 10.690 1.00 0.00 O ATOM 1018 OD2 ASP A 64 16.937 6.893 11.520 1.00 0.00 O ATOM 0 H ASP A 64 17.401 6.520 8.995 1.00 0.00 H new ATOM 0 HA ASP A 64 18.007 9.189 8.461 1.00 0.00 H new ATOM 0 HB2 ASP A 64 19.186 7.539 10.718 1.00 0.00 H new ATOM 0 HB3 ASP A 64 18.798 9.248 10.725 1.00 0.00 H new ATOM 1023 N PHE A 65 20.620 7.169 8.403 1.00 0.00 N ATOM 1024 CA PHE A 65 22.009 7.061 7.970 1.00 0.00 C ATOM 1025 C PHE A 65 22.166 7.524 6.525 1.00 0.00 C ATOM 1026 O PHE A 65 23.118 8.225 6.186 1.00 0.00 O ATOM 1027 CB PHE A 65 22.498 5.618 8.112 1.00 0.00 C ATOM 1028 CG PHE A 65 22.907 5.259 9.512 1.00 0.00 C ATOM 1029 CD1 PHE A 65 21.953 4.968 10.474 1.00 0.00 C ATOM 1030 CD2 PHE A 65 24.246 5.212 9.866 1.00 0.00 C ATOM 1031 CE1 PHE A 65 22.326 4.636 11.763 1.00 0.00 C ATOM 1032 CE2 PHE A 65 24.625 4.881 11.154 1.00 0.00 C ATOM 1033 CZ PHE A 65 23.664 4.594 12.103 1.00 0.00 C ATOM 0 H PHE A 65 20.220 6.300 8.757 1.00 0.00 H new ATOM 0 HA PHE A 65 22.614 7.707 8.607 1.00 0.00 H new ATOM 0 HB2 PHE A 65 21.707 4.941 7.788 1.00 0.00 H new ATOM 0 HB3 PHE A 65 23.345 5.462 7.443 1.00 0.00 H new ATOM 0 HD1 PHE A 65 20.905 5.001 10.214 1.00 0.00 H new ATOM 0 HD2 PHE A 65 25.002 5.436 9.128 1.00 0.00 H new ATOM 0 HE1 PHE A 65 21.572 4.410 12.503 1.00 0.00 H new ATOM 0 HE2 PHE A 65 25.672 4.847 11.417 1.00 0.00 H new ATOM 0 HZ PHE A 65 23.958 4.337 13.110 1.00 0.00 H new ATOM 1043 N GLY A 66 21.224 7.124 5.676 1.00 0.00 N ATOM 1044 CA GLY A 66 21.276 7.506 4.277 1.00 0.00 C ATOM 1045 C GLY A 66 21.251 6.308 3.348 1.00 0.00 C ATOM 1046 O GLY A 66 22.033 6.232 2.400 1.00 0.00 O ATOM 0 H GLY A 66 20.426 6.542 5.932 1.00 0.00 H new ATOM 0 HA2 GLY A 66 20.431 8.156 4.049 1.00 0.00 H new ATOM 0 HA3 GLY A 66 22.182 8.084 4.095 1.00 0.00 H new ATOM 1050 N CYS A 67 20.352 5.369 3.620 1.00 0.00 N ATOM 1051 CA CYS A 67 20.229 4.168 2.803 1.00 0.00 C ATOM 1052 C CYS A 67 19.234 4.383 1.666 1.00 0.00 C ATOM 1053 O CYS A 67 18.024 4.464 1.873 1.00 0.00 O ATOM 1054 CB CYS A 67 19.787 2.983 3.664 1.00 0.00 C ATOM 1055 SG CYS A 67 20.372 1.366 3.062 1.00 0.00 S ATOM 0 H CYS A 67 19.697 5.417 4.401 1.00 0.00 H new ATOM 0 HA CYS A 67 21.206 3.951 2.372 1.00 0.00 H new ATOM 0 HB2 CYS A 67 20.149 3.132 4.681 1.00 0.00 H new ATOM 0 HB3 CYS A 67 18.698 2.969 3.712 1.00 0.00 H new ATOM 1060 N PRO A 68 19.756 4.477 0.434 1.00 0.00 N ATOM 1061 CA PRO A 68 18.933 4.683 -0.761 1.00 0.00 C ATOM 1062 C PRO A 68 18.093 3.457 -1.105 1.00 0.00 C ATOM 1063 O PRO A 68 17.342 3.460 -2.080 1.00 0.00 O ATOM 1064 CB PRO A 68 19.964 4.949 -1.861 1.00 0.00 C ATOM 1065 CG PRO A 68 21.206 4.277 -1.387 1.00 0.00 C ATOM 1066 CD PRO A 68 21.191 4.389 0.112 1.00 0.00 C ATOM 0 HA PRO A 68 18.215 5.492 -0.626 1.00 0.00 H new ATOM 0 HB2 PRO A 68 19.635 4.544 -2.818 1.00 0.00 H new ATOM 0 HB3 PRO A 68 20.122 6.018 -2.005 1.00 0.00 H new ATOM 0 HG2 PRO A 68 21.229 3.233 -1.700 1.00 0.00 H new ATOM 0 HG3 PRO A 68 22.092 4.755 -1.805 1.00 0.00 H new ATOM 0 HD2 PRO A 68 21.656 3.524 0.584 1.00 0.00 H new ATOM 0 HD3 PRO A 68 21.734 5.270 0.455 1.00 0.00 H new ATOM 1074 N PHE A 69 18.224 2.410 -0.297 1.00 0.00 N ATOM 1075 CA PHE A 69 17.477 1.177 -0.515 1.00 0.00 C ATOM 1076 C PHE A 69 16.040 1.317 -0.022 1.00 0.00 C ATOM 1077 O PHE A 69 15.771 2.018 0.954 1.00 0.00 O ATOM 1078 CB PHE A 69 18.161 0.008 0.197 1.00 0.00 C ATOM 1079 CG PHE A 69 19.440 -0.427 -0.458 1.00 0.00 C ATOM 1080 CD1 PHE A 69 20.629 0.232 -0.193 1.00 0.00 C ATOM 1081 CD2 PHE A 69 19.453 -1.496 -1.340 1.00 0.00 C ATOM 1082 CE1 PHE A 69 21.809 -0.166 -0.794 1.00 0.00 C ATOM 1083 CE2 PHE A 69 20.629 -1.899 -1.944 1.00 0.00 C ATOM 1084 CZ PHE A 69 21.808 -1.232 -1.671 1.00 0.00 C ATOM 0 H PHE A 69 18.841 2.391 0.515 1.00 0.00 H new ATOM 0 HA PHE A 69 17.457 0.979 -1.587 1.00 0.00 H new ATOM 0 HB2 PHE A 69 18.369 0.293 1.228 1.00 0.00 H new ATOM 0 HB3 PHE A 69 17.474 -0.838 0.232 1.00 0.00 H new ATOM 0 HD1 PHE A 69 20.635 1.067 0.492 1.00 0.00 H new ATOM 0 HD2 PHE A 69 18.534 -2.020 -1.558 1.00 0.00 H new ATOM 0 HE1 PHE A 69 22.729 0.356 -0.578 1.00 0.00 H new ATOM 0 HE2 PHE A 69 20.626 -2.734 -2.629 1.00 0.00 H new ATOM 0 HZ PHE A 69 22.728 -1.544 -2.143 1.00 0.00 H new ATOM 1094 N THR A 70 15.118 0.646 -0.706 1.00 0.00 N ATOM 1095 CA THR A 70 13.708 0.696 -0.340 1.00 0.00 C ATOM 1096 C THR A 70 13.030 -0.648 -0.579 1.00 0.00 C ATOM 1097 O THR A 70 13.206 -1.265 -1.629 1.00 0.00 O ATOM 1098 CB THR A 70 12.960 1.784 -1.134 1.00 0.00 C ATOM 1099 OG1 THR A 70 13.342 1.734 -2.513 1.00 0.00 O ATOM 1100 CG2 THR A 70 13.256 3.165 -0.570 1.00 0.00 C ATOM 0 H THR A 70 15.323 0.062 -1.516 1.00 0.00 H new ATOM 0 HA THR A 70 13.665 0.937 0.722 1.00 0.00 H new ATOM 0 HB THR A 70 11.890 1.595 -1.047 1.00 0.00 H new ATOM 0 HG1 THR A 70 13.484 0.802 -2.779 1.00 0.00 H new ATOM 0 HG21 THR A 70 12.717 3.917 -1.147 1.00 0.00 H new ATOM 0 HG22 THR A 70 12.937 3.209 0.471 1.00 0.00 H new ATOM 0 HG23 THR A 70 14.327 3.361 -0.630 1.00 0.00 H new ATOM 1108 N MET A 71 12.254 -1.097 0.402 1.00 0.00 N ATOM 1109 CA MET A 71 11.547 -2.368 0.297 1.00 0.00 C ATOM 1110 C MET A 71 10.396 -2.435 1.295 1.00 0.00 C ATOM 1111 O MET A 71 10.179 -1.503 2.070 1.00 0.00 O ATOM 1112 CB MET A 71 12.511 -3.533 0.533 1.00 0.00 C ATOM 1113 CG MET A 71 13.335 -3.391 1.802 1.00 0.00 C ATOM 1114 SD MET A 71 14.900 -2.539 1.523 1.00 0.00 S ATOM 1115 CE MET A 71 14.739 -1.157 2.650 1.00 0.00 C ATOM 0 H MET A 71 12.099 -0.599 1.279 1.00 0.00 H new ATOM 0 HA MET A 71 11.136 -2.444 -0.710 1.00 0.00 H new ATOM 0 HB2 MET A 71 11.942 -4.461 0.581 1.00 0.00 H new ATOM 0 HB3 MET A 71 13.184 -3.616 -0.320 1.00 0.00 H new ATOM 0 HG2 MET A 71 12.756 -2.845 2.547 1.00 0.00 H new ATOM 0 HG3 MET A 71 13.533 -4.380 2.215 1.00 0.00 H new ATOM 0 HE1 MET A 71 15.401 -0.351 2.334 1.00 0.00 H new ATOM 0 HE2 MET A 71 13.708 -0.802 2.646 1.00 0.00 H new ATOM 0 HE3 MET A 71 15.009 -1.475 3.657 1.00 0.00 H new ATOM 1125 N ALA A 72 9.662 -3.542 1.272 1.00 0.00 N ATOM 1126 CA ALA A 72 8.534 -3.731 2.176 1.00 0.00 C ATOM 1127 C ALA A 72 8.989 -3.712 3.632 1.00 0.00 C ATOM 1128 O ALA A 72 10.114 -4.101 3.945 1.00 0.00 O ATOM 1129 CB ALA A 72 7.818 -5.036 1.862 1.00 0.00 C ATOM 0 H ALA A 72 9.828 -4.322 0.637 1.00 0.00 H new ATOM 0 HA ALA A 72 7.839 -2.904 2.028 1.00 0.00 H new ATOM 0 HB1 ALA A 72 6.978 -5.164 2.545 1.00 0.00 H new ATOM 0 HB2 ALA A 72 7.451 -5.012 0.836 1.00 0.00 H new ATOM 0 HB3 ALA A 72 8.511 -5.869 1.980 1.00 0.00 H new ATOM 1135 N ARG A 73 8.108 -3.257 4.516 1.00 0.00 N ATOM 1136 CA ARG A 73 8.420 -3.186 5.939 1.00 0.00 C ATOM 1137 C ARG A 73 8.836 -4.554 6.473 1.00 0.00 C ATOM 1138 O ARG A 73 9.619 -4.650 7.417 1.00 0.00 O ATOM 1139 CB ARG A 73 7.214 -2.666 6.722 1.00 0.00 C ATOM 1140 CG ARG A 73 7.566 -2.134 8.102 1.00 0.00 C ATOM 1141 CD ARG A 73 7.917 -0.655 8.055 1.00 0.00 C ATOM 1142 NE ARG A 73 7.988 -0.067 9.390 1.00 0.00 N ATOM 1143 CZ ARG A 73 8.439 1.159 9.630 1.00 0.00 C ATOM 1144 NH1 ARG A 73 8.855 1.923 8.630 1.00 0.00 N ATOM 1145 NH2 ARG A 73 8.473 1.623 10.873 1.00 0.00 N ATOM 0 H ARG A 73 7.172 -2.932 4.273 1.00 0.00 H new ATOM 0 HA ARG A 73 9.253 -2.496 6.069 1.00 0.00 H new ATOM 0 HB2 ARG A 73 6.733 -1.874 6.148 1.00 0.00 H new ATOM 0 HB3 ARG A 73 6.486 -3.470 6.827 1.00 0.00 H new ATOM 0 HG2 ARG A 73 6.725 -2.288 8.778 1.00 0.00 H new ATOM 0 HG3 ARG A 73 8.408 -2.696 8.506 1.00 0.00 H new ATOM 0 HD2 ARG A 73 8.874 -0.525 7.550 1.00 0.00 H new ATOM 0 HD3 ARG A 73 7.171 -0.124 7.464 1.00 0.00 H new ATOM 0 HE ARG A 73 7.674 -0.629 10.181 1.00 0.00 H new ATOM 0 HH11 ARG A 73 8.829 1.570 7.673 1.00 0.00 H new ATOM 0 HH12 ARG A 73 9.201 2.864 8.817 1.00 0.00 H new ATOM 0 HH21 ARG A 73 8.153 1.038 11.645 1.00 0.00 H new ATOM 0 HH22 ARG A 73 8.820 2.565 11.057 1.00 0.00 H new ATOM 1159 N ASN A 74 8.306 -5.608 5.862 1.00 0.00 N ATOM 1160 CA ASN A 74 8.621 -6.970 6.276 1.00 0.00 C ATOM 1161 C ASN A 74 9.894 -7.466 5.595 1.00 0.00 C ATOM 1162 O ASN A 74 10.647 -8.258 6.162 1.00 0.00 O ATOM 1163 CB ASN A 74 7.457 -7.908 5.950 1.00 0.00 C ATOM 1164 CG ASN A 74 7.384 -8.247 4.474 1.00 0.00 C ATOM 1165 OD1 ASN A 74 7.354 -7.359 3.622 1.00 0.00 O ATOM 1166 ND2 ASN A 74 7.356 -9.538 4.164 1.00 0.00 N ATOM 0 H ASN A 74 7.656 -5.545 5.078 1.00 0.00 H new ATOM 0 HA ASN A 74 8.784 -6.966 7.354 1.00 0.00 H new ATOM 0 HB2 ASN A 74 7.562 -8.827 6.526 1.00 0.00 H new ATOM 0 HB3 ASN A 74 6.521 -7.443 6.260 1.00 0.00 H new ATOM 0 HD21 ASN A 74 7.308 -9.827 3.187 1.00 0.00 H new ATOM 0 HD22 ASN A 74 7.383 -10.241 4.903 1.00 0.00 H new ATOM 1173 N LYS A 75 10.128 -6.993 4.376 1.00 0.00 N ATOM 1174 CA LYS A 75 11.309 -7.385 3.616 1.00 0.00 C ATOM 1175 C LYS A 75 12.494 -6.485 3.950 1.00 0.00 C ATOM 1176 O LYS A 75 13.429 -6.353 3.160 1.00 0.00 O ATOM 1177 CB LYS A 75 11.018 -7.327 2.115 1.00 0.00 C ATOM 1178 CG LYS A 75 10.081 -8.422 1.634 1.00 0.00 C ATOM 1179 CD LYS A 75 10.841 -9.688 1.276 1.00 0.00 C ATOM 1180 CE LYS A 75 9.948 -10.691 0.562 1.00 0.00 C ATOM 1181 NZ LYS A 75 9.884 -10.432 -0.903 1.00 0.00 N ATOM 0 H LYS A 75 9.515 -6.337 3.893 1.00 0.00 H new ATOM 0 HA LYS A 75 11.564 -8.409 3.891 1.00 0.00 H new ATOM 0 HB2 LYS A 75 10.583 -6.357 1.875 1.00 0.00 H new ATOM 0 HB3 LYS A 75 11.958 -7.399 1.568 1.00 0.00 H new ATOM 0 HG2 LYS A 75 9.349 -8.643 2.411 1.00 0.00 H new ATOM 0 HG3 LYS A 75 9.526 -8.071 0.764 1.00 0.00 H new ATOM 0 HD2 LYS A 75 11.689 -9.437 0.639 1.00 0.00 H new ATOM 0 HD3 LYS A 75 11.245 -10.139 2.182 1.00 0.00 H new ATOM 0 HE2 LYS A 75 10.323 -11.700 0.736 1.00 0.00 H new ATOM 0 HE3 LYS A 75 8.943 -10.647 0.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 9.266 -11.137 -1.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 9.503 -9.479 -1.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 10.839 -10.499 -1.309 1.00 0.00 H new ATOM 1195 N VAL A 76 12.449 -5.868 5.127 1.00 0.00 N ATOM 1196 CA VAL A 76 13.521 -4.982 5.567 1.00 0.00 C ATOM 1197 C VAL A 76 14.694 -5.776 6.129 1.00 0.00 C ATOM 1198 O VAL A 76 15.852 -5.387 5.973 1.00 0.00 O ATOM 1199 CB VAL A 76 13.026 -3.991 6.637 1.00 0.00 C ATOM 1200 CG1 VAL A 76 11.898 -3.131 6.088 1.00 0.00 C ATOM 1201 CG2 VAL A 76 12.580 -4.736 7.886 1.00 0.00 C ATOM 0 H VAL A 76 11.682 -5.965 5.793 1.00 0.00 H new ATOM 0 HA VAL A 76 13.851 -4.424 4.691 1.00 0.00 H new ATOM 0 HB VAL A 76 13.852 -3.334 6.909 1.00 0.00 H new ATOM 0 HG11 VAL A 76 11.561 -2.437 6.858 1.00 0.00 H new ATOM 0 HG12 VAL A 76 12.256 -2.569 5.225 1.00 0.00 H new ATOM 0 HG13 VAL A 76 11.067 -3.769 5.787 1.00 0.00 H new ATOM 0 HG21 VAL A 76 12.233 -4.021 8.632 1.00 0.00 H new ATOM 0 HG22 VAL A 76 11.768 -5.418 7.632 1.00 0.00 H new ATOM 0 HG23 VAL A 76 13.418 -5.304 8.290 1.00 0.00 H new ATOM 1211 N ALA A 77 14.388 -6.892 6.783 1.00 0.00 N ATOM 1212 CA ALA A 77 15.418 -7.742 7.367 1.00 0.00 C ATOM 1213 C ALA A 77 16.379 -8.252 6.298 1.00 0.00 C ATOM 1214 O ALA A 77 17.556 -7.893 6.288 1.00 0.00 O ATOM 1215 CB ALA A 77 14.781 -8.910 8.107 1.00 0.00 C ATOM 0 H ALA A 77 13.435 -7.228 6.922 1.00 0.00 H new ATOM 0 HA ALA A 77 15.989 -7.144 8.077 1.00 0.00 H new ATOM 0 HB1 ALA A 77 15.562 -9.537 8.538 1.00 0.00 H new ATOM 0 HB2 ALA A 77 14.140 -8.530 8.902 1.00 0.00 H new ATOM 0 HB3 ALA A 77 14.185 -9.500 7.411 1.00 0.00 H new ATOM 1221 N GLU A 78 15.870 -9.091 5.402 1.00 0.00 N ATOM 1222 CA GLU A 78 16.685 -9.651 4.330 1.00 0.00 C ATOM 1223 C GLU A 78 17.697 -8.626 3.826 1.00 0.00 C ATOM 1224 O GLU A 78 18.824 -8.974 3.468 1.00 0.00 O ATOM 1225 CB GLU A 78 15.798 -10.119 3.175 1.00 0.00 C ATOM 1226 CG GLU A 78 15.381 -9.000 2.236 1.00 0.00 C ATOM 1227 CD GLU A 78 14.238 -9.400 1.323 1.00 0.00 C ATOM 1228 OE1 GLU A 78 13.499 -10.342 1.677 1.00 0.00 O ATOM 1229 OE2 GLU A 78 14.084 -8.772 0.254 1.00 0.00 O ATOM 0 H GLU A 78 14.897 -9.398 5.397 1.00 0.00 H new ATOM 0 HA GLU A 78 17.228 -10.507 4.730 1.00 0.00 H new ATOM 0 HB2 GLU A 78 16.330 -10.881 2.605 1.00 0.00 H new ATOM 0 HB3 GLU A 78 14.904 -10.592 3.583 1.00 0.00 H new ATOM 0 HG2 GLU A 78 15.085 -8.130 2.822 1.00 0.00 H new ATOM 0 HG3 GLU A 78 16.237 -8.701 1.631 1.00 0.00 H new ATOM 1236 N HIS A 79 17.288 -7.362 3.799 1.00 0.00 N ATOM 1237 CA HIS A 79 18.159 -6.286 3.338 1.00 0.00 C ATOM 1238 C HIS A 79 19.077 -5.812 4.460 1.00 0.00 C ATOM 1239 O HIS A 79 20.266 -5.574 4.245 1.00 0.00 O ATOM 1240 CB HIS A 79 17.325 -5.115 2.816 1.00 0.00 C ATOM 1241 CG HIS A 79 18.077 -3.821 2.763 1.00 0.00 C ATOM 1242 ND1 HIS A 79 18.967 -3.508 1.758 1.00 0.00 N ATOM 1243 CD2 HIS A 79 18.067 -2.757 3.599 1.00 0.00 C ATOM 1244 CE1 HIS A 79 19.473 -2.308 1.978 1.00 0.00 C ATOM 1245 NE2 HIS A 79 18.943 -1.830 3.089 1.00 0.00 N ATOM 0 H HIS A 79 16.359 -7.057 4.091 1.00 0.00 H new ATOM 0 HA HIS A 79 18.776 -6.673 2.527 1.00 0.00 H new ATOM 0 HB2 HIS A 79 16.961 -5.356 1.817 1.00 0.00 H new ATOM 0 HB3 HIS A 79 16.449 -4.991 3.453 1.00 0.00 H new ATOM 0 HD1 HIS A 79 19.199 -4.109 0.967 1.00 0.00 H new ATOM 0 HD2 HIS A 79 17.480 -2.656 4.500 1.00 0.00 H new ATOM 0 HE1 HIS A 79 20.197 -1.804 1.355 1.00 0.00 H new ATOM 1253 N LEU A 80 18.518 -5.676 5.658 1.00 0.00 N ATOM 1254 CA LEU A 80 19.287 -5.230 6.814 1.00 0.00 C ATOM 1255 C LEU A 80 20.500 -6.126 7.042 1.00 0.00 C ATOM 1256 O LEU A 80 21.549 -5.665 7.489 1.00 0.00 O ATOM 1257 CB LEU A 80 18.405 -5.219 8.064 1.00 0.00 C ATOM 1258 CG LEU A 80 17.495 -4.002 8.234 1.00 0.00 C ATOM 1259 CD1 LEU A 80 16.472 -4.248 9.331 1.00 0.00 C ATOM 1260 CD2 LEU A 80 18.319 -2.759 8.539 1.00 0.00 C ATOM 0 H LEU A 80 17.536 -5.868 5.854 1.00 0.00 H new ATOM 0 HA LEU A 80 19.639 -4.218 6.615 1.00 0.00 H new ATOM 0 HB2 LEU A 80 17.783 -6.114 8.053 1.00 0.00 H new ATOM 0 HB3 LEU A 80 19.050 -5.290 8.940 1.00 0.00 H new ATOM 0 HG LEU A 80 16.960 -3.839 7.298 1.00 0.00 H new ATOM 0 HD11 LEU A 80 15.834 -3.371 9.437 1.00 0.00 H new ATOM 0 HD12 LEU A 80 15.861 -5.112 9.071 1.00 0.00 H new ATOM 0 HD13 LEU A 80 16.987 -4.438 10.273 1.00 0.00 H new ATOM 0 HD21 LEU A 80 17.655 -1.902 8.657 1.00 0.00 H new ATOM 0 HD22 LEU A 80 18.881 -2.912 9.460 1.00 0.00 H new ATOM 0 HD23 LEU A 80 19.012 -2.571 7.718 1.00 0.00 H new ATOM 1272 N GLU A 81 20.348 -7.409 6.727 1.00 0.00 N ATOM 1273 CA GLU A 81 21.432 -8.369 6.896 1.00 0.00 C ATOM 1274 C GLU A 81 22.658 -7.954 6.087 1.00 0.00 C ATOM 1275 O GLU A 81 23.778 -7.948 6.597 1.00 0.00 O ATOM 1276 CB GLU A 81 20.976 -9.767 6.471 1.00 0.00 C ATOM 1277 CG GLU A 81 19.871 -10.338 7.344 1.00 0.00 C ATOM 1278 CD GLU A 81 20.405 -11.032 8.582 1.00 0.00 C ATOM 1279 OE1 GLU A 81 21.535 -11.560 8.524 1.00 0.00 O ATOM 1280 OE2 GLU A 81 19.693 -11.047 9.607 1.00 0.00 O ATOM 0 H GLU A 81 19.486 -7.807 6.354 1.00 0.00 H new ATOM 0 HA GLU A 81 21.704 -8.389 7.951 1.00 0.00 H new ATOM 0 HB2 GLU A 81 20.629 -9.729 5.439 1.00 0.00 H new ATOM 0 HB3 GLU A 81 21.832 -10.442 6.495 1.00 0.00 H new ATOM 0 HG2 GLU A 81 19.198 -9.534 7.644 1.00 0.00 H new ATOM 0 HG3 GLU A 81 19.282 -11.046 6.761 1.00 0.00 H new ATOM 1287 N MET A 82 22.436 -7.609 4.823 1.00 0.00 N ATOM 1288 CA MET A 82 23.522 -7.192 3.943 1.00 0.00 C ATOM 1289 C MET A 82 23.501 -5.681 3.733 1.00 0.00 C ATOM 1290 O MET A 82 24.020 -5.176 2.737 1.00 0.00 O ATOM 1291 CB MET A 82 23.418 -7.908 2.595 1.00 0.00 C ATOM 1292 CG MET A 82 22.186 -7.520 1.795 1.00 0.00 C ATOM 1293 SD MET A 82 22.510 -6.188 0.623 1.00 0.00 S ATOM 1294 CE MET A 82 21.399 -4.923 1.233 1.00 0.00 C ATOM 0 H MET A 82 21.515 -7.610 4.385 1.00 0.00 H new ATOM 0 HA MET A 82 24.465 -7.462 4.417 1.00 0.00 H new ATOM 0 HB2 MET A 82 24.308 -7.687 2.006 1.00 0.00 H new ATOM 0 HB3 MET A 82 23.407 -8.985 2.765 1.00 0.00 H new ATOM 0 HG2 MET A 82 21.819 -8.393 1.255 1.00 0.00 H new ATOM 0 HG3 MET A 82 21.395 -7.212 2.479 1.00 0.00 H new ATOM 0 HE1 MET A 82 20.947 -4.399 0.391 1.00 0.00 H new ATOM 0 HE2 MET A 82 20.617 -5.385 1.835 1.00 0.00 H new ATOM 0 HE3 MET A 82 21.956 -4.213 1.845 1.00 0.00 H new ATOM 1304 N CYS A 83 22.898 -4.965 4.676 1.00 0.00 N ATOM 1305 CA CYS A 83 22.809 -3.512 4.594 1.00 0.00 C ATOM 1306 C CYS A 83 24.016 -2.855 5.256 1.00 0.00 C ATOM 1307 O CYS A 83 24.477 -3.273 6.318 1.00 0.00 O ATOM 1308 CB CYS A 83 21.520 -3.021 5.256 1.00 0.00 C ATOM 1309 SG CYS A 83 21.436 -1.214 5.472 1.00 0.00 S ATOM 0 H CYS A 83 22.463 -5.368 5.506 1.00 0.00 H new ATOM 0 HA CYS A 83 22.798 -3.232 3.541 1.00 0.00 H new ATOM 0 HB2 CYS A 83 20.670 -3.344 4.655 1.00 0.00 H new ATOM 0 HB3 CYS A 83 21.421 -3.498 6.231 1.00 0.00 H new ATOM 1314 N PRO A 84 24.542 -1.801 4.614 1.00 0.00 N ATOM 1315 CA PRO A 84 25.701 -1.062 5.122 1.00 0.00 C ATOM 1316 C PRO A 84 25.373 -0.260 6.376 1.00 0.00 C ATOM 1317 O PRO A 84 26.195 -0.149 7.286 1.00 0.00 O ATOM 1318 CB PRO A 84 26.060 -0.125 3.966 1.00 0.00 C ATOM 1319 CG PRO A 84 24.786 0.053 3.214 1.00 0.00 C ATOM 1320 CD PRO A 84 24.043 -1.248 3.343 1.00 0.00 C ATOM 0 HA PRO A 84 26.512 -1.728 5.415 1.00 0.00 H new ATOM 0 HB2 PRO A 84 26.440 0.829 4.333 1.00 0.00 H new ATOM 0 HB3 PRO A 84 26.836 -0.556 3.334 1.00 0.00 H new ATOM 0 HG2 PRO A 84 24.203 0.878 3.624 1.00 0.00 H new ATOM 0 HG3 PRO A 84 24.980 0.289 2.168 1.00 0.00 H new ATOM 0 HD2 PRO A 84 22.964 -1.094 3.368 1.00 0.00 H new ATOM 0 HD3 PRO A 84 24.251 -1.914 2.506 1.00 0.00 H new ATOM 1328 N ALA A 85 24.168 0.298 6.418 1.00 0.00 N ATOM 1329 CA ALA A 85 23.731 1.089 7.562 1.00 0.00 C ATOM 1330 C ALA A 85 23.212 0.193 8.682 1.00 0.00 C ATOM 1331 O ALA A 85 22.213 0.508 9.329 1.00 0.00 O ATOM 1332 CB ALA A 85 22.659 2.082 7.139 1.00 0.00 C ATOM 0 H ALA A 85 23.476 0.217 5.673 1.00 0.00 H new ATOM 0 HA ALA A 85 24.592 1.640 7.941 1.00 0.00 H new ATOM 0 HB1 ALA A 85 22.342 2.666 8.003 1.00 0.00 H new ATOM 0 HB2 ALA A 85 23.062 2.750 6.378 1.00 0.00 H new ATOM 0 HB3 ALA A 85 21.804 1.543 6.732 1.00 0.00 H new ATOM 1338 N SER A 86 23.896 -0.925 8.905 1.00 0.00 N ATOM 1339 CA SER A 86 23.501 -1.868 9.944 1.00 0.00 C ATOM 1340 C SER A 86 24.644 -2.106 10.926 1.00 0.00 C ATOM 1341 O SER A 86 24.427 -2.542 12.056 1.00 0.00 O ATOM 1342 CB SER A 86 23.067 -3.196 9.319 1.00 0.00 C ATOM 1343 OG SER A 86 22.504 -4.058 10.292 1.00 0.00 O ATOM 0 H SER A 86 24.726 -1.199 8.380 1.00 0.00 H new ATOM 0 HA SER A 86 22.660 -1.438 10.489 1.00 0.00 H new ATOM 0 HB2 SER A 86 22.339 -3.009 8.529 1.00 0.00 H new ATOM 0 HB3 SER A 86 23.925 -3.680 8.853 1.00 0.00 H new ATOM 0 HG SER A 86 22.234 -4.899 9.867 1.00 0.00 H new ATOM 1349 N VAL A 87 25.864 -1.815 10.485 1.00 0.00 N ATOM 1350 CA VAL A 87 27.043 -1.995 11.324 1.00 0.00 C ATOM 1351 C VAL A 87 26.900 -3.221 12.217 1.00 0.00 C ATOM 1352 O VAL A 87 27.266 -3.192 13.392 1.00 0.00 O ATOM 1353 CB VAL A 87 27.299 -0.758 12.205 1.00 0.00 C ATOM 1354 CG1 VAL A 87 27.495 0.481 11.344 1.00 0.00 C ATOM 1355 CG2 VAL A 87 26.155 -0.558 13.188 1.00 0.00 C ATOM 0 H VAL A 87 26.062 -1.454 9.552 1.00 0.00 H new ATOM 0 HA VAL A 87 27.890 -2.135 10.653 1.00 0.00 H new ATOM 0 HB VAL A 87 28.213 -0.923 12.775 1.00 0.00 H new ATOM 0 HG11 VAL A 87 27.675 1.344 11.985 1.00 0.00 H new ATOM 0 HG12 VAL A 87 28.350 0.334 10.685 1.00 0.00 H new ATOM 0 HG13 VAL A 87 26.601 0.653 10.745 1.00 0.00 H new ATOM 0 HG21 VAL A 87 26.353 0.320 13.802 1.00 0.00 H new ATOM 0 HG22 VAL A 87 25.224 -0.415 12.639 1.00 0.00 H new ATOM 0 HG23 VAL A 87 26.067 -1.436 13.828 1.00 0.00 H new ATOM 1365 N SER A 88 26.365 -4.299 11.653 1.00 0.00 N ATOM 1366 CA SER A 88 26.169 -5.536 12.400 1.00 0.00 C ATOM 1367 C SER A 88 27.003 -6.667 11.805 1.00 0.00 C ATOM 1368 O SER A 88 26.599 -7.306 10.834 1.00 0.00 O ATOM 1369 CB SER A 88 24.690 -5.926 12.404 1.00 0.00 C ATOM 1370 OG SER A 88 24.439 -6.966 13.333 1.00 0.00 O ATOM 0 H SER A 88 26.059 -4.341 10.681 1.00 0.00 H new ATOM 0 HA SER A 88 26.495 -5.367 13.426 1.00 0.00 H new ATOM 0 HB2 SER A 88 24.082 -5.056 12.654 1.00 0.00 H new ATOM 0 HB3 SER A 88 24.393 -6.246 11.406 1.00 0.00 H new ATOM 0 HG SER A 88 23.486 -7.196 13.317 1.00 0.00 H new ATOM 1376 N GLY A 89 28.170 -6.908 12.395 1.00 0.00 N ATOM 1377 CA GLY A 89 29.043 -7.961 11.911 1.00 0.00 C ATOM 1378 C GLY A 89 28.560 -9.342 12.308 1.00 0.00 C ATOM 1379 O GLY A 89 27.673 -9.496 13.148 1.00 0.00 O ATOM 0 H GLY A 89 28.526 -6.392 13.200 1.00 0.00 H new ATOM 0 HA2 GLY A 89 29.111 -7.902 10.825 1.00 0.00 H new ATOM 0 HA3 GLY A 89 30.048 -7.804 12.303 1.00 0.00 H new ATOM 1383 N PRO A 90 29.150 -10.378 11.693 1.00 0.00 N ATOM 1384 CA PRO A 90 28.790 -11.772 11.970 1.00 0.00 C ATOM 1385 C PRO A 90 29.230 -12.220 13.360 1.00 0.00 C ATOM 1386 O PRO A 90 29.061 -13.381 13.731 1.00 0.00 O ATOM 1387 CB PRO A 90 29.545 -12.554 10.893 1.00 0.00 C ATOM 1388 CG PRO A 90 30.700 -11.684 10.532 1.00 0.00 C ATOM 1389 CD PRO A 90 30.214 -10.269 10.681 1.00 0.00 C ATOM 0 HA PRO A 90 27.711 -11.925 11.951 1.00 0.00 H new ATOM 0 HB2 PRO A 90 29.880 -13.521 11.268 1.00 0.00 H new ATOM 0 HB3 PRO A 90 28.911 -12.749 10.028 1.00 0.00 H new ATOM 0 HG2 PRO A 90 31.552 -11.875 11.185 1.00 0.00 H new ATOM 0 HG3 PRO A 90 31.031 -11.878 9.512 1.00 0.00 H new ATOM 0 HD2 PRO A 90 31.012 -9.602 11.007 1.00 0.00 H new ATOM 0 HD3 PRO A 90 29.834 -9.874 9.739 1.00 0.00 H new ATOM 1397 N SER A 91 29.794 -11.290 14.125 1.00 0.00 N ATOM 1398 CA SER A 91 30.261 -11.590 15.473 1.00 0.00 C ATOM 1399 C SER A 91 29.376 -12.644 16.133 1.00 0.00 C ATOM 1400 O SER A 91 28.200 -12.402 16.402 1.00 0.00 O ATOM 1401 CB SER A 91 30.281 -10.319 16.323 1.00 0.00 C ATOM 1402 OG SER A 91 30.477 -10.624 17.693 1.00 0.00 O ATOM 0 H SER A 91 29.938 -10.323 13.834 1.00 0.00 H new ATOM 0 HA SER A 91 31.274 -11.986 15.400 1.00 0.00 H new ATOM 0 HB2 SER A 91 31.076 -9.659 15.977 1.00 0.00 H new ATOM 0 HB3 SER A 91 29.342 -9.780 16.198 1.00 0.00 H new ATOM 0 HG SER A 91 30.487 -9.794 18.215 1.00 0.00 H new ATOM 1408 N SER A 92 29.952 -13.814 16.391 1.00 0.00 N ATOM 1409 CA SER A 92 29.215 -14.906 17.015 1.00 0.00 C ATOM 1410 C SER A 92 30.054 -15.577 18.099 1.00 0.00 C ATOM 1411 O SER A 92 31.195 -15.971 17.862 1.00 0.00 O ATOM 1412 CB SER A 92 28.802 -15.938 15.963 1.00 0.00 C ATOM 1413 OG SER A 92 28.161 -17.050 16.564 1.00 0.00 O ATOM 0 H SER A 92 30.926 -14.030 16.178 1.00 0.00 H new ATOM 0 HA SER A 92 28.320 -14.490 17.477 1.00 0.00 H new ATOM 0 HB2 SER A 92 28.132 -15.475 15.239 1.00 0.00 H new ATOM 0 HB3 SER A 92 29.681 -16.274 15.414 1.00 0.00 H new ATOM 0 HG SER A 92 27.905 -17.694 15.871 1.00 0.00 H new ATOM 1419 N GLY A 93 29.478 -15.702 19.291 1.00 0.00 N ATOM 1420 CA GLY A 93 30.186 -16.324 20.395 1.00 0.00 C ATOM 1421 C GLY A 93 31.652 -15.941 20.434 1.00 0.00 C ATOM 1422 O GLY A 93 32.011 -14.890 20.964 1.00 0.00 O ATOM 0 H GLY A 93 28.534 -15.384 19.512 1.00 0.00 H new ATOM 0 HA2 GLY A 93 29.713 -16.036 21.334 1.00 0.00 H new ATOM 0 HA3 GLY A 93 30.099 -17.407 20.314 1.00 0.00 H new TER 1426 GLY A 93 HETATM 1427 ZN ZN A 401 -15.650 3.278 4.052 1.00 0.00 ZN HETATM 1428 ZN ZN A 501 -17.385 -3.088 7.067 1.00 0.00 ZN HETATM 1429 ZN ZN A 601 -2.179 -4.431 3.088 1.00 0.00 ZN HETATM 1430 ZN ZN A 701 19.648 -0.352 4.321 1.00 0.00 ZN