USER MOD reduce.3.24.130724 H: found=0, std=0, add=489, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 486 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 34 HIS HD1 : A 34 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ -110:sc= 0.0325 (180deg=0) USER MOD Single : A 2 SER OG : rot 37:sc= 0.999 USER MOD Single : A 3 SER OG : rot 180:sc= -0.0232 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.1 USER MOD Single : A 10 LYS NZ :NH3+ 157:sc= -0.968 (180deg=-1.67!) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 CYS SG : rot 180:sc= 0 USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 160:sc= 0.61 USER MOD Single : A 38 GLN : amide:sc= -0.44 X(o=-0.44,f=-0.12) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 40:sc= 1.06 USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 50 ASN : amide:sc= -0.819 K(o=-0.82,f=-3.8!) USER MOD Single : A 57 GLN : amide:sc= -0.0834 K(o=-0.083,f=-1.8!) USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= 0.378 K(o=0.38,f=-2.7!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -45.950 -15.968 18.084 1.00 0.00 N ATOM 2 CA GLY A 1 -46.173 -14.610 17.623 1.00 0.00 C ATOM 3 C GLY A 1 -46.224 -14.511 16.112 1.00 0.00 C ATOM 4 O GLY A 1 -45.619 -15.321 15.409 1.00 0.00 O ATOM 0 H1 GLY A 1 -46.816 -16.329 18.533 1.00 0.00 H new ATOM 0 H2 GLY A 1 -45.702 -16.573 17.275 1.00 0.00 H new ATOM 0 H3 GLY A 1 -45.172 -15.977 18.774 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -47.109 -14.237 18.040 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -45.378 -13.967 17.999 1.00 0.00 H new ATOM 8 N SER A 2 -46.949 -13.517 15.609 1.00 0.00 N ATOM 9 CA SER A 2 -47.081 -13.319 14.170 1.00 0.00 C ATOM 10 C SER A 2 -46.124 -12.236 13.681 1.00 0.00 C ATOM 11 O SER A 2 -46.384 -11.043 13.844 1.00 0.00 O ATOM 12 CB SER A 2 -48.521 -12.942 13.816 1.00 0.00 C ATOM 13 OG SER A 2 -48.894 -11.720 14.429 1.00 0.00 O ATOM 0 H SER A 2 -47.454 -12.836 16.176 1.00 0.00 H new ATOM 0 HA SER A 2 -46.826 -14.255 13.674 1.00 0.00 H new ATOM 0 HB2 SER A 2 -48.622 -12.855 12.734 1.00 0.00 H new ATOM 0 HB3 SER A 2 -49.197 -13.735 14.137 1.00 0.00 H new ATOM 0 HG SER A 2 -48.128 -11.108 14.432 1.00 0.00 H new ATOM 19 N SER A 3 -45.017 -12.660 13.080 1.00 0.00 N ATOM 20 CA SER A 3 -44.019 -11.727 12.570 1.00 0.00 C ATOM 21 C SER A 3 -43.012 -12.445 11.677 1.00 0.00 C ATOM 22 O SER A 3 -42.839 -13.660 11.768 1.00 0.00 O ATOM 23 CB SER A 3 -43.293 -11.041 13.728 1.00 0.00 C ATOM 24 OG SER A 3 -42.332 -10.115 13.251 1.00 0.00 O ATOM 0 H SER A 3 -44.789 -13.643 12.934 1.00 0.00 H new ATOM 0 HA SER A 3 -44.533 -10.972 11.975 1.00 0.00 H new ATOM 0 HB2 SER A 3 -44.016 -10.526 14.360 1.00 0.00 H new ATOM 0 HB3 SER A 3 -42.803 -11.791 14.349 1.00 0.00 H new ATOM 0 HG SER A 3 -41.883 -9.689 14.011 1.00 0.00 H new ATOM 30 N GLY A 4 -42.348 -11.683 10.813 1.00 0.00 N ATOM 31 CA GLY A 4 -41.366 -12.262 9.915 1.00 0.00 C ATOM 32 C GLY A 4 -40.023 -11.564 9.997 1.00 0.00 C ATOM 33 O GLY A 4 -39.934 -10.426 10.459 1.00 0.00 O ATOM 0 H GLY A 4 -42.473 -10.675 10.719 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -41.238 -13.318 10.153 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -41.738 -12.209 8.892 1.00 0.00 H new ATOM 37 N SER A 5 -38.974 -12.246 9.548 1.00 0.00 N ATOM 38 CA SER A 5 -37.628 -11.686 9.578 1.00 0.00 C ATOM 39 C SER A 5 -37.350 -10.873 8.317 1.00 0.00 C ATOM 40 O SER A 5 -37.300 -11.415 7.214 1.00 0.00 O ATOM 41 CB SER A 5 -36.591 -12.803 9.716 1.00 0.00 C ATOM 42 OG SER A 5 -35.342 -12.289 10.143 1.00 0.00 O ATOM 0 H SER A 5 -39.030 -13.187 9.159 1.00 0.00 H new ATOM 0 HA SER A 5 -37.556 -11.024 10.441 1.00 0.00 H new ATOM 0 HB2 SER A 5 -36.945 -13.546 10.430 1.00 0.00 H new ATOM 0 HB3 SER A 5 -36.471 -13.312 8.760 1.00 0.00 H new ATOM 0 HG SER A 5 -34.697 -13.022 10.225 1.00 0.00 H new ATOM 48 N SER A 6 -37.171 -9.567 8.491 1.00 0.00 N ATOM 49 CA SER A 6 -36.902 -8.677 7.368 1.00 0.00 C ATOM 50 C SER A 6 -35.647 -9.112 6.618 1.00 0.00 C ATOM 51 O SER A 6 -35.656 -9.242 5.394 1.00 0.00 O ATOM 52 CB SER A 6 -36.742 -7.237 7.859 1.00 0.00 C ATOM 53 OG SER A 6 -35.660 -7.124 8.767 1.00 0.00 O ATOM 0 H SER A 6 -37.207 -9.102 9.398 1.00 0.00 H new ATOM 0 HA SER A 6 -37.749 -8.729 6.684 1.00 0.00 H new ATOM 0 HB2 SER A 6 -36.577 -6.576 7.008 1.00 0.00 H new ATOM 0 HB3 SER A 6 -37.662 -6.910 8.343 1.00 0.00 H new ATOM 0 HG SER A 6 -35.578 -6.194 9.064 1.00 0.00 H new ATOM 59 N GLY A 7 -34.568 -9.337 7.361 1.00 0.00 N ATOM 60 CA GLY A 7 -33.320 -9.755 6.750 1.00 0.00 C ATOM 61 C GLY A 7 -32.206 -9.923 7.764 1.00 0.00 C ATOM 62 O GLY A 7 -31.848 -11.045 8.122 1.00 0.00 O ATOM 0 H GLY A 7 -34.536 -9.237 8.376 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -33.474 -10.697 6.225 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -33.020 -9.019 6.004 1.00 0.00 H new ATOM 66 N ARG A 8 -31.656 -8.806 8.227 1.00 0.00 N ATOM 67 CA ARG A 8 -30.574 -8.835 9.204 1.00 0.00 C ATOM 68 C ARG A 8 -29.437 -9.736 8.730 1.00 0.00 C ATOM 69 O ARG A 8 -28.846 -10.474 9.518 1.00 0.00 O ATOM 70 CB ARG A 8 -31.093 -9.321 10.558 1.00 0.00 C ATOM 71 CG ARG A 8 -31.771 -8.233 11.377 1.00 0.00 C ATOM 72 CD ARG A 8 -30.803 -7.112 11.722 1.00 0.00 C ATOM 73 NE ARG A 8 -31.261 -6.328 12.866 1.00 0.00 N ATOM 74 CZ ARG A 8 -31.182 -6.747 14.124 1.00 0.00 C ATOM 75 NH1 ARG A 8 -30.664 -7.937 14.398 1.00 0.00 N ATOM 76 NH2 ARG A 8 -31.619 -5.975 15.111 1.00 0.00 N ATOM 0 H ARG A 8 -31.942 -7.869 7.942 1.00 0.00 H new ATOM 0 HA ARG A 8 -30.190 -7.821 9.313 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -31.799 -10.135 10.396 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -30.261 -9.730 11.131 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -32.615 -7.828 10.818 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -32.173 -8.663 12.294 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -29.822 -7.534 11.941 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -30.683 -6.458 10.859 1.00 0.00 H new ATOM 0 HE ARG A 8 -31.664 -5.408 12.689 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -30.325 -8.532 13.642 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -30.604 -8.257 15.365 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -32.016 -5.059 14.904 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -31.558 -6.298 16.077 1.00 0.00 H new ATOM 90 N VAL A 9 -29.137 -9.670 7.436 1.00 0.00 N ATOM 91 CA VAL A 9 -28.072 -10.479 6.857 1.00 0.00 C ATOM 92 C VAL A 9 -26.980 -9.601 6.255 1.00 0.00 C ATOM 93 O VAL A 9 -27.265 -8.586 5.619 1.00 0.00 O ATOM 94 CB VAL A 9 -28.614 -11.425 5.768 1.00 0.00 C ATOM 95 CG1 VAL A 9 -27.480 -12.222 5.141 1.00 0.00 C ATOM 96 CG2 VAL A 9 -29.672 -12.352 6.347 1.00 0.00 C ATOM 0 H VAL A 9 -29.617 -9.065 6.770 1.00 0.00 H new ATOM 0 HA VAL A 9 -27.650 -11.074 7.667 1.00 0.00 H new ATOM 0 HB VAL A 9 -29.079 -10.824 4.987 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -27.882 -12.885 4.374 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -26.761 -11.538 4.690 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -26.984 -12.815 5.909 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -30.044 -13.013 5.564 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -29.235 -12.948 7.148 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -30.497 -11.760 6.744 1.00 0.00 H new ATOM 106 N LYS A 10 -25.729 -9.999 6.459 1.00 0.00 N ATOM 107 CA LYS A 10 -24.593 -9.250 5.936 1.00 0.00 C ATOM 108 C LYS A 10 -23.352 -10.134 5.850 1.00 0.00 C ATOM 109 O LYS A 10 -23.126 -10.986 6.708 1.00 0.00 O ATOM 110 CB LYS A 10 -24.306 -8.034 6.819 1.00 0.00 C ATOM 111 CG LYS A 10 -23.651 -8.386 8.144 1.00 0.00 C ATOM 112 CD LYS A 10 -24.673 -8.863 9.162 1.00 0.00 C ATOM 113 CE LYS A 10 -25.245 -7.703 9.963 1.00 0.00 C ATOM 114 NZ LYS A 10 -26.127 -6.837 9.134 1.00 0.00 N ATOM 0 H LYS A 10 -25.476 -10.837 6.983 1.00 0.00 H new ATOM 0 HA LYS A 10 -24.846 -8.910 4.932 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -23.660 -7.345 6.275 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -25.241 -7.508 7.014 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -22.903 -9.163 7.986 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -23.127 -7.514 8.535 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -25.481 -9.387 8.650 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -24.207 -9.579 9.839 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -25.810 -8.091 10.811 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -24.429 -7.106 10.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -26.785 -6.320 9.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -25.546 -6.158 8.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -26.667 -7.427 8.469 1.00 0.00 H new ATOM 128 N GLN A 11 -22.552 -9.923 4.809 1.00 0.00 N ATOM 129 CA GLN A 11 -21.334 -10.700 4.613 1.00 0.00 C ATOM 130 C GLN A 11 -20.282 -9.884 3.870 1.00 0.00 C ATOM 131 O GLN A 11 -20.568 -9.271 2.841 1.00 0.00 O ATOM 132 CB GLN A 11 -21.642 -11.983 3.839 1.00 0.00 C ATOM 133 CG GLN A 11 -22.595 -12.919 4.566 1.00 0.00 C ATOM 134 CD GLN A 11 -22.563 -14.330 4.013 1.00 0.00 C ATOM 135 OE1 GLN A 11 -22.735 -14.542 2.812 1.00 0.00 O ATOM 136 NE2 GLN A 11 -22.342 -15.304 4.888 1.00 0.00 N ATOM 0 H GLN A 11 -22.726 -9.221 4.089 1.00 0.00 H new ATOM 0 HA GLN A 11 -20.938 -10.962 5.594 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -22.071 -11.720 2.872 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -20.709 -12.510 3.640 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -22.338 -12.942 5.625 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -23.609 -12.527 4.493 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -22.205 -15.082 5.874 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -22.309 -16.274 4.574 1.00 0.00 H new ATOM 145 N LEU A 12 -19.062 -9.881 4.398 1.00 0.00 N ATOM 146 CA LEU A 12 -17.966 -9.140 3.785 1.00 0.00 C ATOM 147 C LEU A 12 -17.829 -9.493 2.307 1.00 0.00 C ATOM 148 O LEU A 12 -17.387 -10.588 1.957 1.00 0.00 O ATOM 149 CB LEU A 12 -16.654 -9.435 4.515 1.00 0.00 C ATOM 150 CG LEU A 12 -16.665 -9.219 6.029 1.00 0.00 C ATOM 151 CD1 LEU A 12 -15.471 -9.904 6.674 1.00 0.00 C ATOM 152 CD2 LEU A 12 -16.671 -7.733 6.355 1.00 0.00 C ATOM 0 H LEU A 12 -18.808 -10.383 5.249 1.00 0.00 H new ATOM 0 HA LEU A 12 -18.189 -8.076 3.866 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -16.377 -10.471 4.318 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -15.873 -8.808 4.084 1.00 0.00 H new ATOM 0 HG LEU A 12 -17.574 -9.663 6.434 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -15.495 -9.740 7.751 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -15.511 -10.974 6.469 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -14.549 -9.490 6.265 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -16.679 -7.598 7.437 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -15.779 -7.265 5.937 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -17.559 -7.270 5.925 1.00 0.00 H new ATOM 164 N THR A 13 -18.208 -8.557 1.443 1.00 0.00 N ATOM 165 CA THR A 13 -18.127 -8.768 0.003 1.00 0.00 C ATOM 166 C THR A 13 -16.749 -9.279 -0.401 1.00 0.00 C ATOM 167 O THR A 13 -16.632 -10.229 -1.175 1.00 0.00 O ATOM 168 CB THR A 13 -18.429 -7.471 -0.772 1.00 0.00 C ATOM 169 OG1 THR A 13 -19.750 -7.013 -0.465 1.00 0.00 O ATOM 170 CG2 THR A 13 -18.300 -7.695 -2.272 1.00 0.00 C ATOM 0 H THR A 13 -18.574 -7.645 1.716 1.00 0.00 H new ATOM 0 HA THR A 13 -18.877 -9.517 -0.250 1.00 0.00 H new ATOM 0 HB THR A 13 -17.704 -6.716 -0.469 1.00 0.00 H new ATOM 0 HG1 THR A 13 -19.933 -6.187 -0.960 1.00 0.00 H new ATOM 0 HG21 THR A 13 -18.518 -6.766 -2.799 1.00 0.00 H new ATOM 0 HG22 THR A 13 -17.285 -8.015 -2.506 1.00 0.00 H new ATOM 0 HG23 THR A 13 -19.005 -8.464 -2.587 1.00 0.00 H new ATOM 178 N ASP A 14 -15.709 -8.644 0.128 1.00 0.00 N ATOM 179 CA ASP A 14 -14.338 -9.036 -0.176 1.00 0.00 C ATOM 180 C ASP A 14 -13.681 -9.698 1.031 1.00 0.00 C ATOM 181 O ASP A 14 -14.142 -9.544 2.161 1.00 0.00 O ATOM 182 CB ASP A 14 -13.522 -7.818 -0.613 1.00 0.00 C ATOM 183 CG ASP A 14 -14.143 -7.097 -1.793 1.00 0.00 C ATOM 184 OD1 ASP A 14 -15.324 -6.702 -1.692 1.00 0.00 O ATOM 185 OD2 ASP A 14 -13.449 -6.927 -2.816 1.00 0.00 O ATOM 0 H ASP A 14 -15.789 -7.855 0.770 1.00 0.00 H new ATOM 0 HA ASP A 14 -14.365 -9.758 -0.993 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -13.431 -7.126 0.224 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -12.513 -8.136 -0.875 1.00 0.00 H new ATOM 190 N GLU A 15 -12.604 -10.436 0.782 1.00 0.00 N ATOM 191 CA GLU A 15 -11.886 -11.123 1.849 1.00 0.00 C ATOM 192 C GLU A 15 -10.613 -10.369 2.221 1.00 0.00 C ATOM 193 O GLU A 15 -10.292 -10.217 3.399 1.00 0.00 O ATOM 194 CB GLU A 15 -11.540 -12.551 1.424 1.00 0.00 C ATOM 195 CG GLU A 15 -10.228 -13.057 2.000 1.00 0.00 C ATOM 196 CD GLU A 15 -10.279 -13.226 3.506 1.00 0.00 C ATOM 197 OE1 GLU A 15 -10.936 -14.179 3.974 1.00 0.00 O ATOM 198 OE2 GLU A 15 -9.662 -12.405 4.216 1.00 0.00 O ATOM 0 H GLU A 15 -12.210 -10.573 -0.149 1.00 0.00 H new ATOM 0 HA GLU A 15 -12.535 -11.159 2.724 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -12.344 -13.218 1.734 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -11.490 -12.595 0.336 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -9.978 -14.013 1.539 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -9.430 -12.360 1.743 1.00 0.00 H new ATOM 205 N GLU A 16 -9.893 -9.899 1.208 1.00 0.00 N ATOM 206 CA GLU A 16 -8.654 -9.162 1.429 1.00 0.00 C ATOM 207 C GLU A 16 -8.784 -8.225 2.627 1.00 0.00 C ATOM 208 O GLU A 16 -9.890 -7.858 3.022 1.00 0.00 O ATOM 209 CB GLU A 16 -8.282 -8.360 0.180 1.00 0.00 C ATOM 210 CG GLU A 16 -8.121 -9.215 -1.066 1.00 0.00 C ATOM 211 CD GLU A 16 -8.418 -8.449 -2.341 1.00 0.00 C ATOM 212 OE1 GLU A 16 -7.831 -7.364 -2.531 1.00 0.00 O ATOM 213 OE2 GLU A 16 -9.238 -8.935 -3.148 1.00 0.00 O ATOM 0 H GLU A 16 -10.146 -10.015 0.227 1.00 0.00 H new ATOM 0 HA GLU A 16 -7.865 -9.884 1.638 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -9.051 -7.609 -0.002 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -7.351 -7.825 0.366 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -7.103 -9.602 -1.108 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -8.787 -10.076 -1.000 1.00 0.00 H new ATOM 220 N GLU A 17 -7.647 -7.845 3.200 1.00 0.00 N ATOM 221 CA GLU A 17 -7.634 -6.953 4.353 1.00 0.00 C ATOM 222 C GLU A 17 -6.270 -6.287 4.511 1.00 0.00 C ATOM 223 O GLU A 17 -5.231 -6.924 4.337 1.00 0.00 O ATOM 224 CB GLU A 17 -7.987 -7.725 5.626 1.00 0.00 C ATOM 225 CG GLU A 17 -9.482 -7.880 5.850 1.00 0.00 C ATOM 226 CD GLU A 17 -9.814 -8.394 7.237 1.00 0.00 C ATOM 227 OE1 GLU A 17 -9.436 -9.542 7.552 1.00 0.00 O ATOM 228 OE2 GLU A 17 -10.452 -7.647 8.008 1.00 0.00 O ATOM 0 H GLU A 17 -6.723 -8.141 2.885 1.00 0.00 H new ATOM 0 HA GLU A 17 -8.381 -6.177 4.188 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -7.531 -8.714 5.579 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.551 -7.213 6.484 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -9.970 -6.918 5.697 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -9.888 -8.565 5.106 1.00 0.00 H new ATOM 235 N CYS A 18 -6.282 -4.999 4.841 1.00 0.00 N ATOM 236 CA CYS A 18 -5.048 -4.244 5.021 1.00 0.00 C ATOM 237 C CYS A 18 -4.049 -5.030 5.865 1.00 0.00 C ATOM 238 O CYS A 18 -4.418 -5.973 6.565 1.00 0.00 O ATOM 239 CB CYS A 18 -5.343 -2.896 5.681 1.00 0.00 C ATOM 240 SG CYS A 18 -3.876 -1.836 5.893 1.00 0.00 S ATOM 0 H CYS A 18 -7.133 -4.457 4.989 1.00 0.00 H new ATOM 0 HA CYS A 18 -4.609 -4.071 4.038 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -6.080 -2.363 5.080 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -5.795 -3.072 6.657 1.00 0.00 H new ATOM 245 N CYS A 19 -2.783 -4.633 5.795 1.00 0.00 N ATOM 246 CA CYS A 19 -1.729 -5.299 6.552 1.00 0.00 C ATOM 247 C CYS A 19 -1.347 -4.485 7.784 1.00 0.00 C ATOM 248 O CYS A 19 -1.180 -5.032 8.874 1.00 0.00 O ATOM 249 CB CYS A 19 -0.500 -5.520 5.670 1.00 0.00 C ATOM 250 SG CYS A 19 0.558 -6.885 6.205 1.00 0.00 S ATOM 0 H CYS A 19 -2.462 -3.853 5.222 1.00 0.00 H new ATOM 0 HA CYS A 19 -2.108 -6.266 6.882 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -0.829 -5.709 4.648 1.00 0.00 H new ATOM 0 HB3 CYS A 19 0.090 -4.603 5.651 1.00 0.00 H new ATOM 0 HG CYS A 19 1.569 -6.994 5.395 1.00 0.00 H new ATOM 256 N ILE A 20 -1.208 -3.176 7.601 1.00 0.00 N ATOM 257 CA ILE A 20 -0.845 -2.287 8.698 1.00 0.00 C ATOM 258 C ILE A 20 -1.928 -2.265 9.771 1.00 0.00 C ATOM 259 O ILE A 20 -1.729 -2.763 10.879 1.00 0.00 O ATOM 260 CB ILE A 20 -0.602 -0.850 8.200 1.00 0.00 C ATOM 261 CG1 ILE A 20 0.555 -0.821 7.200 1.00 0.00 C ATOM 262 CG2 ILE A 20 -0.318 0.076 9.373 1.00 0.00 C ATOM 263 CD1 ILE A 20 0.756 0.528 6.546 1.00 0.00 C ATOM 0 H ILE A 20 -1.341 -2.708 6.705 1.00 0.00 H new ATOM 0 HA ILE A 20 0.079 -2.676 9.127 1.00 0.00 H new ATOM 0 HB ILE A 20 -1.502 -0.500 7.695 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.474 -1.108 7.712 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.374 -1.567 6.426 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -0.148 1.088 9.005 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -1.171 0.075 10.052 1.00 0.00 H new ATOM 0 HG23 ILE A 20 0.569 -0.270 9.904 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.593 0.474 5.850 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -0.148 0.809 6.006 1.00 0.00 H new ATOM 0 HD13 ILE A 20 0.968 1.275 7.311 1.00 0.00 H new ATOM 275 N CYS A 21 -3.076 -1.688 9.433 1.00 0.00 N ATOM 276 CA CYS A 21 -4.193 -1.602 10.366 1.00 0.00 C ATOM 277 C CYS A 21 -5.100 -2.824 10.242 1.00 0.00 C ATOM 278 O CYS A 21 -5.870 -3.132 11.151 1.00 0.00 O ATOM 279 CB CYS A 21 -5.000 -0.327 10.112 1.00 0.00 C ATOM 280 SG CYS A 21 -5.924 -0.332 8.543 1.00 0.00 S ATOM 0 H CYS A 21 -3.257 -1.273 8.519 1.00 0.00 H new ATOM 0 HA CYS A 21 -3.788 -1.572 11.378 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -5.702 -0.184 10.934 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -4.322 0.527 10.119 1.00 0.00 H new ATOM 285 N MET A 22 -5.002 -3.515 9.111 1.00 0.00 N ATOM 286 CA MET A 22 -5.811 -4.703 8.869 1.00 0.00 C ATOM 287 C MET A 22 -7.195 -4.554 9.493 1.00 0.00 C ATOM 288 O MET A 22 -7.797 -5.534 9.933 1.00 0.00 O ATOM 289 CB MET A 22 -5.116 -5.944 9.433 1.00 0.00 C ATOM 290 CG MET A 22 -4.836 -5.858 10.925 1.00 0.00 C ATOM 291 SD MET A 22 -4.584 -7.477 11.677 1.00 0.00 S ATOM 292 CE MET A 22 -4.087 -7.007 13.333 1.00 0.00 C ATOM 0 H MET A 22 -4.370 -3.272 8.348 1.00 0.00 H new ATOM 0 HA MET A 22 -5.927 -4.819 7.791 1.00 0.00 H new ATOM 0 HB2 MET A 22 -5.737 -6.818 9.238 1.00 0.00 H new ATOM 0 HB3 MET A 22 -4.176 -6.096 8.903 1.00 0.00 H new ATOM 0 HG2 MET A 22 -3.951 -5.243 11.090 1.00 0.00 H new ATOM 0 HG3 MET A 22 -5.669 -5.358 11.419 1.00 0.00 H new ATOM 0 HE1 MET A 22 -3.895 -7.903 13.923 1.00 0.00 H new ATOM 0 HE2 MET A 22 -3.181 -6.404 13.283 1.00 0.00 H new ATOM 0 HE3 MET A 22 -4.883 -6.428 13.801 1.00 0.00 H new ATOM 302 N ASP A 23 -7.694 -3.323 9.527 1.00 0.00 N ATOM 303 CA ASP A 23 -9.008 -3.047 10.097 1.00 0.00 C ATOM 304 C ASP A 23 -10.011 -2.694 9.003 1.00 0.00 C ATOM 305 O ASP A 23 -10.838 -1.798 9.170 1.00 0.00 O ATOM 306 CB ASP A 23 -8.918 -1.905 11.111 1.00 0.00 C ATOM 307 CG ASP A 23 -8.564 -2.393 12.502 1.00 0.00 C ATOM 308 OD1 ASP A 23 -9.464 -2.910 13.196 1.00 0.00 O ATOM 309 OD2 ASP A 23 -7.386 -2.258 12.896 1.00 0.00 O ATOM 0 H ASP A 23 -7.209 -2.501 9.167 1.00 0.00 H new ATOM 0 HA ASP A 23 -9.353 -3.947 10.605 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -8.168 -1.187 10.779 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -9.871 -1.378 11.146 1.00 0.00 H new ATOM 314 N GLY A 24 -9.931 -3.403 7.881 1.00 0.00 N ATOM 315 CA GLY A 24 -10.836 -3.149 6.776 1.00 0.00 C ATOM 316 C GLY A 24 -10.295 -3.658 5.454 1.00 0.00 C ATOM 317 O GLY A 24 -9.081 -3.720 5.255 1.00 0.00 O ATOM 0 H GLY A 24 -9.255 -4.149 7.718 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -11.795 -3.625 6.980 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -11.021 -2.077 6.701 1.00 0.00 H new ATOM 321 N ARG A 25 -11.196 -4.025 4.550 1.00 0.00 N ATOM 322 CA ARG A 25 -10.802 -4.534 3.241 1.00 0.00 C ATOM 323 C ARG A 25 -9.573 -3.796 2.718 1.00 0.00 C ATOM 324 O ARG A 25 -9.309 -2.658 3.106 1.00 0.00 O ATOM 325 CB ARG A 25 -11.956 -4.394 2.247 1.00 0.00 C ATOM 326 CG ARG A 25 -13.186 -5.204 2.623 1.00 0.00 C ATOM 327 CD ARG A 25 -14.394 -4.801 1.791 1.00 0.00 C ATOM 328 NE ARG A 25 -15.085 -3.644 2.354 1.00 0.00 N ATOM 329 CZ ARG A 25 -15.819 -3.693 3.460 1.00 0.00 C ATOM 330 NH1 ARG A 25 -15.957 -4.836 4.119 1.00 0.00 N ATOM 331 NH2 ARG A 25 -16.418 -2.597 3.909 1.00 0.00 N ATOM 0 H ARG A 25 -12.204 -3.980 4.699 1.00 0.00 H new ATOM 0 HA ARG A 25 -10.552 -5.589 3.350 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -12.233 -3.343 2.171 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -11.614 -4.706 1.260 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -12.982 -6.265 2.480 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -13.407 -5.062 3.681 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -14.074 -4.573 0.774 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -15.086 -5.641 1.726 1.00 0.00 H new ATOM 0 HE ARG A 25 -14.999 -2.749 1.872 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -15.499 -5.681 3.777 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -16.521 -4.870 4.968 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -16.315 -1.716 3.405 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -16.982 -2.635 4.758 1.00 0.00 H new ATOM 345 N ALA A 26 -8.826 -4.453 1.837 1.00 0.00 N ATOM 346 CA ALA A 26 -7.626 -3.859 1.260 1.00 0.00 C ATOM 347 C ALA A 26 -7.942 -3.149 -0.052 1.00 0.00 C ATOM 348 O ALA A 26 -8.740 -3.634 -0.855 1.00 0.00 O ATOM 349 CB ALA A 26 -6.562 -4.924 1.044 1.00 0.00 C ATOM 0 H ALA A 26 -9.030 -5.396 1.507 1.00 0.00 H new ATOM 0 HA ALA A 26 -7.244 -3.117 1.961 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -5.672 -4.467 0.613 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -6.308 -5.383 1.999 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.943 -5.687 0.365 1.00 0.00 H new ATOM 355 N ASP A 27 -7.311 -1.999 -0.264 1.00 0.00 N ATOM 356 CA ASP A 27 -7.525 -1.223 -1.480 1.00 0.00 C ATOM 357 C ASP A 27 -6.693 -1.778 -2.632 1.00 0.00 C ATOM 358 O ASP A 27 -7.104 -1.722 -3.792 1.00 0.00 O ATOM 359 CB ASP A 27 -7.171 0.246 -1.241 1.00 0.00 C ATOM 360 CG ASP A 27 -7.099 1.041 -2.530 1.00 0.00 C ATOM 361 OD1 ASP A 27 -6.338 0.637 -3.434 1.00 0.00 O ATOM 362 OD2 ASP A 27 -7.803 2.067 -2.635 1.00 0.00 O ATOM 0 H ASP A 27 -6.648 -1.584 0.390 1.00 0.00 H new ATOM 0 HA ASP A 27 -8.579 -1.296 -1.748 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -7.915 0.694 -0.582 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -6.212 0.307 -0.726 1.00 0.00 H new ATOM 367 N LEU A 28 -5.522 -2.313 -2.306 1.00 0.00 N ATOM 368 CA LEU A 28 -4.631 -2.878 -3.314 1.00 0.00 C ATOM 369 C LEU A 28 -3.761 -3.979 -2.716 1.00 0.00 C ATOM 370 O LEU A 28 -3.711 -4.151 -1.497 1.00 0.00 O ATOM 371 CB LEU A 28 -3.747 -1.783 -3.913 1.00 0.00 C ATOM 372 CG LEU A 28 -2.859 -1.023 -2.927 1.00 0.00 C ATOM 373 CD1 LEU A 28 -1.607 -1.826 -2.609 1.00 0.00 C ATOM 374 CD2 LEU A 28 -2.490 0.344 -3.486 1.00 0.00 C ATOM 0 H LEU A 28 -5.167 -2.368 -1.351 1.00 0.00 H new ATOM 0 HA LEU A 28 -5.245 -3.313 -4.103 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.109 -2.234 -4.673 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.389 -1.064 -4.422 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.417 -0.877 -2.002 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.987 -1.270 -1.906 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.890 -2.781 -2.167 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.046 -2.003 -3.526 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.858 0.871 -2.771 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.950 0.220 -4.425 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.397 0.922 -3.663 1.00 0.00 H new ATOM 386 N ILE A 29 -3.076 -4.720 -3.580 1.00 0.00 N ATOM 387 CA ILE A 29 -2.206 -5.801 -3.137 1.00 0.00 C ATOM 388 C ILE A 29 -0.822 -5.687 -3.767 1.00 0.00 C ATOM 389 O ILE A 29 -0.691 -5.376 -4.952 1.00 0.00 O ATOM 390 CB ILE A 29 -2.801 -7.180 -3.480 1.00 0.00 C ATOM 391 CG1 ILE A 29 -4.207 -7.313 -2.892 1.00 0.00 C ATOM 392 CG2 ILE A 29 -1.898 -8.290 -2.965 1.00 0.00 C ATOM 393 CD1 ILE A 29 -4.981 -8.493 -3.437 1.00 0.00 C ATOM 0 H ILE A 29 -3.107 -4.591 -4.591 1.00 0.00 H new ATOM 0 HA ILE A 29 -2.119 -5.711 -2.054 1.00 0.00 H new ATOM 0 HB ILE A 29 -2.871 -7.270 -4.564 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -4.132 -7.407 -1.809 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -4.765 -6.398 -3.094 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -2.332 -9.258 -3.215 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -0.915 -8.203 -3.427 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -1.799 -8.206 -1.883 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -5.968 -8.525 -2.976 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -5.088 -8.390 -4.517 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -4.445 -9.415 -3.211 1.00 0.00 H new ATOM 405 N LEU A 30 0.208 -5.942 -2.969 1.00 0.00 N ATOM 406 CA LEU A 30 1.584 -5.869 -3.448 1.00 0.00 C ATOM 407 C LEU A 30 2.086 -7.246 -3.872 1.00 0.00 C ATOM 408 O LEU A 30 1.593 -8.280 -3.422 1.00 0.00 O ATOM 409 CB LEU A 30 2.494 -5.294 -2.361 1.00 0.00 C ATOM 410 CG LEU A 30 2.371 -3.791 -2.108 1.00 0.00 C ATOM 411 CD1 LEU A 30 3.263 -3.370 -0.951 1.00 0.00 C ATOM 412 CD2 LEU A 30 2.720 -3.009 -3.366 1.00 0.00 C ATOM 0 H LEU A 30 0.117 -6.201 -1.987 1.00 0.00 H new ATOM 0 HA LEU A 30 1.606 -5.211 -4.317 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.287 -5.817 -1.428 1.00 0.00 H new ATOM 0 HB3 LEU A 30 3.528 -5.514 -2.627 1.00 0.00 H new ATOM 0 HG LEU A 30 1.338 -3.569 -1.842 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.162 -2.297 -0.786 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.966 -3.906 -0.049 1.00 0.00 H new ATOM 0 HD13 LEU A 30 4.301 -3.605 -1.188 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.627 -1.941 -3.168 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.744 -3.235 -3.663 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.039 -3.290 -4.169 1.00 0.00 H new ATOM 424 N PRO A 31 3.093 -7.262 -4.758 1.00 0.00 N ATOM 425 CA PRO A 31 3.687 -8.504 -5.260 1.00 0.00 C ATOM 426 C PRO A 31 4.487 -9.239 -4.190 1.00 0.00 C ATOM 427 O PRO A 31 5.034 -10.314 -4.437 1.00 0.00 O ATOM 428 CB PRO A 31 4.609 -8.028 -6.385 1.00 0.00 C ATOM 429 CG PRO A 31 4.946 -6.621 -6.028 1.00 0.00 C ATOM 430 CD PRO A 31 3.731 -6.067 -5.337 1.00 0.00 C ATOM 0 HA PRO A 31 2.928 -9.216 -5.585 1.00 0.00 H new ATOM 0 HB2 PRO A 31 5.505 -8.645 -6.451 1.00 0.00 H new ATOM 0 HB3 PRO A 31 4.112 -8.083 -7.354 1.00 0.00 H new ATOM 0 HG2 PRO A 31 5.818 -6.582 -5.375 1.00 0.00 H new ATOM 0 HG3 PRO A 31 5.188 -6.040 -6.918 1.00 0.00 H new ATOM 0 HD2 PRO A 31 4.001 -5.343 -4.568 1.00 0.00 H new ATOM 0 HD3 PRO A 31 3.069 -5.557 -6.036 1.00 0.00 H new ATOM 438 N CYS A 32 4.551 -8.652 -2.999 1.00 0.00 N ATOM 439 CA CYS A 32 5.284 -9.250 -1.890 1.00 0.00 C ATOM 440 C CYS A 32 4.326 -9.788 -0.832 1.00 0.00 C ATOM 441 O CYS A 32 4.722 -10.050 0.304 1.00 0.00 O ATOM 442 CB CYS A 32 6.229 -8.223 -1.263 1.00 0.00 C ATOM 443 SG CYS A 32 5.456 -6.607 -0.931 1.00 0.00 S ATOM 0 H CYS A 32 4.104 -7.762 -2.778 1.00 0.00 H new ATOM 0 HA CYS A 32 5.870 -10.082 -2.281 1.00 0.00 H new ATOM 0 HB2 CYS A 32 6.618 -8.626 -0.328 1.00 0.00 H new ATOM 0 HB3 CYS A 32 7.081 -8.077 -1.927 1.00 0.00 H new ATOM 448 N ALA A 33 3.063 -9.951 -1.213 1.00 0.00 N ATOM 449 CA ALA A 33 2.049 -10.460 -0.298 1.00 0.00 C ATOM 450 C ALA A 33 1.746 -9.450 0.804 1.00 0.00 C ATOM 451 O ALA A 33 1.714 -9.796 1.985 1.00 0.00 O ATOM 452 CB ALA A 33 2.498 -11.783 0.305 1.00 0.00 C ATOM 0 H ALA A 33 2.718 -9.738 -2.149 1.00 0.00 H new ATOM 0 HA ALA A 33 1.133 -10.624 -0.866 1.00 0.00 H new ATOM 0 HB1 ALA A 33 1.731 -12.151 0.986 1.00 0.00 H new ATOM 0 HB2 ALA A 33 2.656 -12.511 -0.491 1.00 0.00 H new ATOM 0 HB3 ALA A 33 3.429 -11.636 0.852 1.00 0.00 H new ATOM 458 N HIS A 34 1.526 -8.200 0.410 1.00 0.00 N ATOM 459 CA HIS A 34 1.227 -7.139 1.365 1.00 0.00 C ATOM 460 C HIS A 34 0.173 -6.187 0.807 1.00 0.00 C ATOM 461 O HIS A 34 0.343 -5.621 -0.273 1.00 0.00 O ATOM 462 CB HIS A 34 2.498 -6.363 1.713 1.00 0.00 C ATOM 463 CG HIS A 34 3.498 -7.168 2.485 1.00 0.00 C ATOM 464 ND1 HIS A 34 4.860 -6.986 2.370 1.00 0.00 N ATOM 465 CD2 HIS A 34 3.327 -8.162 3.387 1.00 0.00 C ATOM 466 CE1 HIS A 34 5.484 -7.835 3.167 1.00 0.00 C ATOM 467 NE2 HIS A 34 4.577 -8.560 3.796 1.00 0.00 N ATOM 0 H HIS A 34 1.549 -7.897 -0.564 1.00 0.00 H new ATOM 0 HA HIS A 34 0.833 -7.600 2.270 1.00 0.00 H new ATOM 0 HB2 HIS A 34 2.962 -6.009 0.792 1.00 0.00 H new ATOM 0 HB3 HIS A 34 2.228 -5.481 2.293 1.00 0.00 H new ATOM 0 HD2 HIS A 34 2.384 -8.567 3.723 1.00 0.00 H new ATOM 0 HE1 HIS A 34 6.554 -7.921 3.284 1.00 0.00 H new ATOM 0 HE2 HIS A 34 4.772 -9.296 4.475 1.00 0.00 H new ATOM 475 N SER A 35 -0.916 -6.016 1.550 1.00 0.00 N ATOM 476 CA SER A 35 -2.000 -5.136 1.127 1.00 0.00 C ATOM 477 C SER A 35 -2.029 -3.866 1.971 1.00 0.00 C ATOM 478 O SER A 35 -1.472 -3.823 3.069 1.00 0.00 O ATOM 479 CB SER A 35 -3.343 -5.861 1.230 1.00 0.00 C ATOM 480 OG SER A 35 -3.581 -6.308 2.553 1.00 0.00 O ATOM 0 H SER A 35 -1.071 -6.475 2.448 1.00 0.00 H new ATOM 0 HA SER A 35 -1.824 -4.857 0.088 1.00 0.00 H new ATOM 0 HB2 SER A 35 -4.146 -5.192 0.919 1.00 0.00 H new ATOM 0 HB3 SER A 35 -3.354 -6.711 0.548 1.00 0.00 H new ATOM 0 HG SER A 35 -4.539 -6.475 2.674 1.00 0.00 H new ATOM 486 N PHE A 36 -2.682 -2.832 1.450 1.00 0.00 N ATOM 487 CA PHE A 36 -2.784 -1.559 2.154 1.00 0.00 C ATOM 488 C PHE A 36 -4.086 -0.846 1.803 1.00 0.00 C ATOM 489 O PHE A 36 -4.379 -0.605 0.632 1.00 0.00 O ATOM 490 CB PHE A 36 -1.591 -0.665 1.810 1.00 0.00 C ATOM 491 CG PHE A 36 -0.261 -1.328 2.029 1.00 0.00 C ATOM 492 CD1 PHE A 36 0.133 -2.398 1.241 1.00 0.00 C ATOM 493 CD2 PHE A 36 0.595 -0.883 3.024 1.00 0.00 C ATOM 494 CE1 PHE A 36 1.356 -3.010 1.440 1.00 0.00 C ATOM 495 CE2 PHE A 36 1.819 -1.491 3.227 1.00 0.00 C ATOM 496 CZ PHE A 36 2.200 -2.557 2.435 1.00 0.00 C ATOM 0 H PHE A 36 -3.148 -2.851 0.543 1.00 0.00 H new ATOM 0 HA PHE A 36 -2.780 -1.763 3.225 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -1.667 -0.357 0.767 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.640 0.241 2.414 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.523 -2.758 0.462 1.00 0.00 H new ATOM 0 HD2 PHE A 36 0.302 -0.051 3.648 1.00 0.00 H new ATOM 0 HE1 PHE A 36 1.652 -3.842 0.818 1.00 0.00 H new ATOM 0 HE2 PHE A 36 2.478 -1.133 4.004 1.00 0.00 H new ATOM 0 HZ PHE A 36 3.155 -3.035 2.594 1.00 0.00 H new ATOM 506 N CYS A 37 -4.865 -0.512 2.827 1.00 0.00 N ATOM 507 CA CYS A 37 -6.137 0.173 2.629 1.00 0.00 C ATOM 508 C CYS A 37 -5.916 1.602 2.143 1.00 0.00 C ATOM 509 O CYS A 37 -4.782 2.077 2.078 1.00 0.00 O ATOM 510 CB CYS A 37 -6.942 0.183 3.930 1.00 0.00 C ATOM 511 SG CYS A 37 -6.149 1.101 5.288 1.00 0.00 S ATOM 0 H CYS A 37 -4.637 -0.705 3.802 1.00 0.00 H new ATOM 0 HA CYS A 37 -6.698 -0.368 1.867 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -7.922 0.619 3.735 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -7.108 -0.846 4.250 1.00 0.00 H new ATOM 516 N GLN A 38 -7.007 2.282 1.805 1.00 0.00 N ATOM 517 CA GLN A 38 -6.932 3.657 1.325 1.00 0.00 C ATOM 518 C GLN A 38 -6.363 4.578 2.399 1.00 0.00 C ATOM 519 O GLN A 38 -5.542 5.450 2.114 1.00 0.00 O ATOM 520 CB GLN A 38 -8.316 4.146 0.897 1.00 0.00 C ATOM 521 CG GLN A 38 -8.282 5.417 0.064 1.00 0.00 C ATOM 522 CD GLN A 38 -7.695 5.195 -1.316 1.00 0.00 C ATOM 523 OE1 GLN A 38 -8.418 4.918 -2.273 1.00 0.00 O ATOM 524 NE2 GLN A 38 -6.377 5.315 -1.426 1.00 0.00 N ATOM 0 H GLN A 38 -7.953 1.903 1.855 1.00 0.00 H new ATOM 0 HA GLN A 38 -6.265 3.679 0.463 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -8.809 3.360 0.325 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -8.921 4.321 1.786 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -9.294 5.809 -0.035 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -7.696 6.174 0.586 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -5.816 5.546 -0.606 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -5.926 5.176 -2.330 1.00 0.00 H new ATOM 533 N LYS A 39 -6.805 4.379 3.636 1.00 0.00 N ATOM 534 CA LYS A 39 -6.340 5.190 4.755 1.00 0.00 C ATOM 535 C LYS A 39 -4.817 5.182 4.838 1.00 0.00 C ATOM 536 O LYS A 39 -4.167 6.203 4.613 1.00 0.00 O ATOM 537 CB LYS A 39 -6.936 4.676 6.068 1.00 0.00 C ATOM 538 CG LYS A 39 -8.442 4.847 6.160 1.00 0.00 C ATOM 539 CD LYS A 39 -8.903 4.954 7.604 1.00 0.00 C ATOM 540 CE LYS A 39 -10.421 4.960 7.705 1.00 0.00 C ATOM 541 NZ LYS A 39 -10.894 4.369 8.988 1.00 0.00 N ATOM 0 H LYS A 39 -7.485 3.662 3.889 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.672 6.215 4.590 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -6.691 3.620 6.180 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -6.468 5.201 6.900 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -8.742 5.742 5.614 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -8.935 4.001 5.681 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -8.502 4.118 8.178 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -8.504 5.866 8.048 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -10.787 5.983 7.620 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -10.843 4.400 6.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -11.933 4.392 9.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -10.567 3.384 9.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -10.513 4.918 9.785 1.00 0.00 H new ATOM 555 N CYS A 40 -4.253 4.022 5.161 1.00 0.00 N ATOM 556 CA CYS A 40 -2.807 3.880 5.272 1.00 0.00 C ATOM 557 C CYS A 40 -2.104 4.509 4.073 1.00 0.00 C ATOM 558 O CYS A 40 -1.315 5.443 4.223 1.00 0.00 O ATOM 559 CB CYS A 40 -2.426 2.402 5.382 1.00 0.00 C ATOM 560 SG CYS A 40 -2.962 1.609 6.932 1.00 0.00 S ATOM 0 H CYS A 40 -4.776 3.167 5.350 1.00 0.00 H new ATOM 0 HA CYS A 40 -2.485 4.400 6.174 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -2.861 1.862 4.541 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -1.343 2.309 5.295 1.00 0.00 H new ATOM 565 N ILE A 41 -2.397 3.993 2.884 1.00 0.00 N ATOM 566 CA ILE A 41 -1.795 4.506 1.660 1.00 0.00 C ATOM 567 C ILE A 41 -1.869 6.028 1.606 1.00 0.00 C ATOM 568 O ILE A 41 -0.845 6.709 1.561 1.00 0.00 O ATOM 569 CB ILE A 41 -2.480 3.924 0.409 1.00 0.00 C ATOM 570 CG1 ILE A 41 -2.387 2.397 0.413 1.00 0.00 C ATOM 571 CG2 ILE A 41 -1.852 4.496 -0.853 1.00 0.00 C ATOM 572 CD1 ILE A 41 -3.257 1.736 -0.633 1.00 0.00 C ATOM 0 H ILE A 41 -3.048 3.220 2.743 1.00 0.00 H new ATOM 0 HA ILE A 41 -0.750 4.197 1.669 1.00 0.00 H new ATOM 0 HB ILE A 41 -3.533 4.204 0.426 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -1.350 2.104 0.249 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -2.672 2.026 1.398 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -2.347 4.075 -1.728 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -1.967 5.580 -0.857 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -0.792 4.243 -0.879 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -3.141 0.654 -0.572 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -4.300 1.999 -0.458 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -2.958 2.078 -1.624 1.00 0.00 H new ATOM 584 N ASP A 42 -3.089 6.555 1.612 1.00 0.00 N ATOM 585 CA ASP A 42 -3.298 7.998 1.566 1.00 0.00 C ATOM 586 C ASP A 42 -2.229 8.727 2.374 1.00 0.00 C ATOM 587 O ASP A 42 -1.571 9.639 1.873 1.00 0.00 O ATOM 588 CB ASP A 42 -4.688 8.350 2.100 1.00 0.00 C ATOM 589 CG ASP A 42 -4.948 9.843 2.096 1.00 0.00 C ATOM 590 OD1 ASP A 42 -4.643 10.495 1.076 1.00 0.00 O ATOM 591 OD2 ASP A 42 -5.456 10.360 3.113 1.00 0.00 O ATOM 0 H ASP A 42 -3.947 6.005 1.648 1.00 0.00 H new ATOM 0 HA ASP A 42 -3.224 8.319 0.527 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -5.444 7.851 1.494 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -4.791 7.969 3.116 1.00 0.00 H new ATOM 596 N LYS A 43 -2.063 8.321 3.628 1.00 0.00 N ATOM 597 CA LYS A 43 -1.074 8.935 4.507 1.00 0.00 C ATOM 598 C LYS A 43 0.319 8.866 3.891 1.00 0.00 C ATOM 599 O LYS A 43 1.017 9.875 3.796 1.00 0.00 O ATOM 600 CB LYS A 43 -1.075 8.244 5.872 1.00 0.00 C ATOM 601 CG LYS A 43 -0.636 9.147 7.012 1.00 0.00 C ATOM 602 CD LYS A 43 -1.759 10.068 7.458 1.00 0.00 C ATOM 603 CE LYS A 43 -1.328 10.950 8.619 1.00 0.00 C ATOM 604 NZ LYS A 43 -1.506 10.268 9.931 1.00 0.00 N ATOM 0 H LYS A 43 -2.601 7.569 4.059 1.00 0.00 H new ATOM 0 HA LYS A 43 -1.342 9.983 4.638 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -2.078 7.872 6.080 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.415 7.377 5.832 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -0.308 8.538 7.854 1.00 0.00 H new ATOM 0 HG3 LYS A 43 0.221 9.743 6.696 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.072 10.693 6.622 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.623 9.473 7.753 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -0.282 11.229 8.494 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -1.908 11.873 8.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -1.201 10.903 10.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -2.508 10.024 10.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -0.933 9.400 9.952 1.00 0.00 H new ATOM 618 N TRP A 44 0.717 7.669 3.472 1.00 0.00 N ATOM 619 CA TRP A 44 2.027 7.469 2.864 1.00 0.00 C ATOM 620 C TRP A 44 2.015 7.884 1.397 1.00 0.00 C ATOM 621 O TRP A 44 1.881 7.045 0.506 1.00 0.00 O ATOM 622 CB TRP A 44 2.452 6.005 2.989 1.00 0.00 C ATOM 623 CG TRP A 44 2.659 5.566 4.407 1.00 0.00 C ATOM 624 CD1 TRP A 44 1.834 4.767 5.146 1.00 0.00 C ATOM 625 CD2 TRP A 44 3.761 5.903 5.257 1.00 0.00 C ATOM 626 NE1 TRP A 44 2.357 4.587 6.404 1.00 0.00 N ATOM 627 CE2 TRP A 44 3.539 5.273 6.497 1.00 0.00 C ATOM 628 CE3 TRP A 44 4.914 6.675 5.090 1.00 0.00 C ATOM 629 CZ2 TRP A 44 4.427 5.393 7.562 1.00 0.00 C ATOM 630 CZ3 TRP A 44 5.795 6.793 6.148 1.00 0.00 C ATOM 631 CH2 TRP A 44 5.548 6.154 7.371 1.00 0.00 C ATOM 0 H TRP A 44 0.151 6.823 3.542 1.00 0.00 H new ATOM 0 HA TRP A 44 2.745 8.095 3.394 1.00 0.00 H new ATOM 0 HB2 TRP A 44 1.693 5.373 2.528 1.00 0.00 H new ATOM 0 HB3 TRP A 44 3.376 5.853 2.431 1.00 0.00 H new ATOM 0 HD1 TRP A 44 0.907 4.339 4.794 1.00 0.00 H new ATOM 0 HE1 TRP A 44 1.934 4.032 7.148 1.00 0.00 H new ATOM 0 HE3 TRP A 44 5.113 7.170 4.151 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 4.238 4.903 8.506 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 6.689 7.388 6.031 1.00 0.00 H new ATOM 0 HH2 TRP A 44 6.257 6.265 8.179 1.00 0.00 H new ATOM 642 N SER A 45 2.156 9.183 1.152 1.00 0.00 N ATOM 643 CA SER A 45 2.158 9.709 -0.208 1.00 0.00 C ATOM 644 C SER A 45 3.584 9.902 -0.714 1.00 0.00 C ATOM 645 O SER A 45 4.221 10.918 -0.436 1.00 0.00 O ATOM 646 CB SER A 45 1.401 11.038 -0.264 1.00 0.00 C ATOM 647 OG SER A 45 2.038 12.022 0.533 1.00 0.00 O ATOM 0 H SER A 45 2.270 9.890 1.878 1.00 0.00 H new ATOM 0 HA SER A 45 1.657 8.986 -0.852 1.00 0.00 H new ATOM 0 HB2 SER A 45 1.342 11.384 -1.296 1.00 0.00 H new ATOM 0 HB3 SER A 45 0.378 10.892 0.082 1.00 0.00 H new ATOM 0 HG SER A 45 3.010 11.949 0.429 1.00 0.00 H new ATOM 653 N ASP A 46 4.078 8.918 -1.458 1.00 0.00 N ATOM 654 CA ASP A 46 5.429 8.978 -2.005 1.00 0.00 C ATOM 655 C ASP A 46 5.481 8.350 -3.394 1.00 0.00 C ATOM 656 O ASP A 46 4.975 7.247 -3.607 1.00 0.00 O ATOM 657 CB ASP A 46 6.411 8.268 -1.073 1.00 0.00 C ATOM 658 CG ASP A 46 5.839 6.988 -0.495 1.00 0.00 C ATOM 659 OD1 ASP A 46 5.944 5.938 -1.161 1.00 0.00 O ATOM 660 OD2 ASP A 46 5.286 7.038 0.624 1.00 0.00 O ATOM 0 H ASP A 46 3.564 8.070 -1.696 1.00 0.00 H new ATOM 0 HA ASP A 46 5.714 10.027 -2.090 1.00 0.00 H new ATOM 0 HB2 ASP A 46 7.326 8.039 -1.620 1.00 0.00 H new ATOM 0 HB3 ASP A 46 6.686 8.940 -0.260 1.00 0.00 H new ATOM 665 N ARG A 47 6.094 9.059 -4.336 1.00 0.00 N ATOM 666 CA ARG A 47 6.210 8.571 -5.705 1.00 0.00 C ATOM 667 C ARG A 47 7.323 7.533 -5.821 1.00 0.00 C ATOM 668 O ARG A 47 8.272 7.708 -6.586 1.00 0.00 O ATOM 669 CB ARG A 47 6.481 9.734 -6.662 1.00 0.00 C ATOM 670 CG ARG A 47 5.332 10.724 -6.757 1.00 0.00 C ATOM 671 CD ARG A 47 4.218 10.200 -7.650 1.00 0.00 C ATOM 672 NE ARG A 47 4.672 9.978 -9.020 1.00 0.00 N ATOM 673 CZ ARG A 47 3.979 9.293 -9.922 1.00 0.00 C ATOM 674 NH1 ARG A 47 2.805 8.766 -9.601 1.00 0.00 N ATOM 675 NH2 ARG A 47 4.459 9.134 -11.149 1.00 0.00 N ATOM 0 H ARG A 47 6.518 9.973 -4.176 1.00 0.00 H new ATOM 0 HA ARG A 47 5.266 8.098 -5.976 1.00 0.00 H new ATOM 0 HB2 ARG A 47 7.378 10.261 -6.335 1.00 0.00 H new ATOM 0 HB3 ARG A 47 6.689 9.336 -7.655 1.00 0.00 H new ATOM 0 HG2 ARG A 47 4.938 10.923 -5.760 1.00 0.00 H new ATOM 0 HG3 ARG A 47 5.699 11.672 -7.149 1.00 0.00 H new ATOM 0 HD2 ARG A 47 3.834 9.266 -7.240 1.00 0.00 H new ATOM 0 HD3 ARG A 47 3.391 10.911 -7.653 1.00 0.00 H new ATOM 0 HE ARG A 47 5.571 10.371 -9.299 1.00 0.00 H new ATOM 0 HH11 ARG A 47 2.432 8.886 -8.659 1.00 0.00 H new ATOM 0 HH12 ARG A 47 2.275 8.240 -10.296 1.00 0.00 H new ATOM 0 HH21 ARG A 47 5.361 9.538 -11.400 1.00 0.00 H new ATOM 0 HH22 ARG A 47 3.926 8.608 -11.841 1.00 0.00 H new ATOM 689 N HIS A 48 7.200 6.454 -5.055 1.00 0.00 N ATOM 690 CA HIS A 48 8.196 5.388 -5.071 1.00 0.00 C ATOM 691 C HIS A 48 7.529 4.024 -5.228 1.00 0.00 C ATOM 692 O HIS A 48 6.327 3.881 -5.003 1.00 0.00 O ATOM 693 CB HIS A 48 9.027 5.418 -3.788 1.00 0.00 C ATOM 694 CG HIS A 48 10.147 6.411 -3.823 1.00 0.00 C ATOM 695 ND1 HIS A 48 11.462 6.055 -4.038 1.00 0.00 N ATOM 696 CD2 HIS A 48 10.143 7.756 -3.670 1.00 0.00 C ATOM 697 CE1 HIS A 48 12.218 7.137 -4.015 1.00 0.00 C ATOM 698 NE2 HIS A 48 11.443 8.183 -3.793 1.00 0.00 N ATOM 0 H HIS A 48 6.421 6.294 -4.416 1.00 0.00 H new ATOM 0 HA HIS A 48 8.854 5.552 -5.924 1.00 0.00 H new ATOM 0 HB2 HIS A 48 8.373 5.649 -2.947 1.00 0.00 H new ATOM 0 HB3 HIS A 48 9.438 4.425 -3.608 1.00 0.00 H new ATOM 0 HD2 HIS A 48 9.279 8.377 -3.486 1.00 0.00 H new ATOM 0 HE1 HIS A 48 13.289 7.162 -4.154 1.00 0.00 H new ATOM 0 HE2 HIS A 48 11.758 9.151 -3.724 1.00 0.00 H new ATOM 706 N ARG A 49 8.317 3.027 -5.616 1.00 0.00 N ATOM 707 CA ARG A 49 7.803 1.676 -5.805 1.00 0.00 C ATOM 708 C ARG A 49 8.405 0.717 -4.783 1.00 0.00 C ATOM 709 O ARG A 49 8.833 -0.384 -5.126 1.00 0.00 O ATOM 710 CB ARG A 49 8.107 1.185 -7.222 1.00 0.00 C ATOM 711 CG ARG A 49 7.355 -0.080 -7.603 1.00 0.00 C ATOM 712 CD ARG A 49 7.976 -0.752 -8.817 1.00 0.00 C ATOM 713 NE ARG A 49 7.444 -0.220 -10.069 1.00 0.00 N ATOM 714 CZ ARG A 49 8.007 -0.428 -11.254 1.00 0.00 C ATOM 715 NH1 ARG A 49 9.112 -1.154 -11.348 1.00 0.00 N ATOM 716 NH2 ARG A 49 7.463 0.089 -12.348 1.00 0.00 N ATOM 0 H ARG A 49 9.314 3.129 -5.806 1.00 0.00 H new ATOM 0 HA ARG A 49 6.723 1.702 -5.661 1.00 0.00 H new ATOM 0 HB2 ARG A 49 7.858 1.974 -7.932 1.00 0.00 H new ATOM 0 HB3 ARG A 49 9.178 1.002 -7.312 1.00 0.00 H new ATOM 0 HG2 ARG A 49 7.356 -0.773 -6.762 1.00 0.00 H new ATOM 0 HG3 ARG A 49 6.314 0.164 -7.813 1.00 0.00 H new ATOM 0 HD2 ARG A 49 9.057 -0.614 -8.795 1.00 0.00 H new ATOM 0 HD3 ARG A 49 7.791 -1.825 -8.771 1.00 0.00 H new ATOM 0 HE ARG A 49 6.594 0.342 -10.031 1.00 0.00 H new ATOM 0 HH11 ARG A 49 9.532 -1.554 -10.509 1.00 0.00 H new ATOM 0 HH12 ARG A 49 9.542 -1.312 -12.259 1.00 0.00 H new ATOM 0 HH21 ARG A 49 6.612 0.647 -12.280 1.00 0.00 H new ATOM 0 HH22 ARG A 49 7.896 -0.071 -13.258 1.00 0.00 H new ATOM 730 N ASN A 50 8.435 1.144 -3.524 1.00 0.00 N ATOM 731 CA ASN A 50 8.986 0.324 -2.452 1.00 0.00 C ATOM 732 C ASN A 50 7.916 -0.005 -1.415 1.00 0.00 C ATOM 733 O ASN A 50 6.940 0.729 -1.259 1.00 0.00 O ATOM 734 CB ASN A 50 10.158 1.044 -1.781 1.00 0.00 C ATOM 735 CG ASN A 50 11.052 1.749 -2.783 1.00 0.00 C ATOM 736 OD1 ASN A 50 11.077 1.400 -3.963 1.00 0.00 O ATOM 737 ND2 ASN A 50 11.793 2.747 -2.314 1.00 0.00 N ATOM 0 H ASN A 50 8.084 2.053 -3.222 1.00 0.00 H new ATOM 0 HA ASN A 50 9.344 -0.609 -2.889 1.00 0.00 H new ATOM 0 HB2 ASN A 50 9.773 1.772 -1.066 1.00 0.00 H new ATOM 0 HB3 ASN A 50 10.748 0.323 -1.215 1.00 0.00 H new ATOM 0 HD21 ASN A 50 12.415 3.258 -2.940 1.00 0.00 H new ATOM 0 HD22 ASN A 50 11.740 3.002 -1.328 1.00 0.00 H new ATOM 744 N CYS A 51 8.107 -1.114 -0.707 1.00 0.00 N ATOM 745 CA CYS A 51 7.161 -1.541 0.316 1.00 0.00 C ATOM 746 C CYS A 51 7.717 -1.285 1.713 1.00 0.00 C ATOM 747 O CYS A 51 8.874 -1.581 2.012 1.00 0.00 O ATOM 748 CB CYS A 51 6.835 -3.027 0.149 1.00 0.00 C ATOM 749 SG CYS A 51 5.842 -3.727 1.507 1.00 0.00 S ATOM 0 H CYS A 51 8.909 -1.733 -0.824 1.00 0.00 H new ATOM 0 HA CYS A 51 6.247 -0.959 0.196 1.00 0.00 H new ATOM 0 HB2 CYS A 51 6.298 -3.167 -0.789 1.00 0.00 H new ATOM 0 HB3 CYS A 51 7.767 -3.586 0.069 1.00 0.00 H new ATOM 754 N PRO A 52 6.874 -0.721 2.591 1.00 0.00 N ATOM 755 CA PRO A 52 7.258 -0.413 3.972 1.00 0.00 C ATOM 756 C PRO A 52 7.451 -1.670 4.814 1.00 0.00 C ATOM 757 O PRO A 52 8.428 -1.788 5.555 1.00 0.00 O ATOM 758 CB PRO A 52 6.075 0.405 4.495 1.00 0.00 C ATOM 759 CG PRO A 52 4.918 -0.026 3.662 1.00 0.00 C ATOM 760 CD PRO A 52 5.480 -0.342 2.304 1.00 0.00 C ATOM 0 HA PRO A 52 8.212 0.112 4.023 1.00 0.00 H new ATOM 0 HB2 PRO A 52 5.896 0.210 5.552 1.00 0.00 H new ATOM 0 HB3 PRO A 52 6.258 1.475 4.395 1.00 0.00 H new ATOM 0 HG2 PRO A 52 4.429 -0.899 4.095 1.00 0.00 H new ATOM 0 HG3 PRO A 52 4.167 0.762 3.600 1.00 0.00 H new ATOM 0 HD2 PRO A 52 4.934 -1.153 1.822 1.00 0.00 H new ATOM 0 HD3 PRO A 52 5.427 0.518 1.637 1.00 0.00 H new ATOM 768 N ILE A 53 6.515 -2.605 4.696 1.00 0.00 N ATOM 769 CA ILE A 53 6.583 -3.853 5.446 1.00 0.00 C ATOM 770 C ILE A 53 7.934 -4.535 5.256 1.00 0.00 C ATOM 771 O ILE A 53 8.704 -4.687 6.205 1.00 0.00 O ATOM 772 CB ILE A 53 5.466 -4.826 5.023 1.00 0.00 C ATOM 773 CG1 ILE A 53 4.100 -4.144 5.128 1.00 0.00 C ATOM 774 CG2 ILE A 53 5.504 -6.081 5.881 1.00 0.00 C ATOM 775 CD1 ILE A 53 3.747 -3.711 6.534 1.00 0.00 C ATOM 0 H ILE A 53 5.700 -2.522 4.088 1.00 0.00 H new ATOM 0 HA ILE A 53 6.452 -3.597 6.497 1.00 0.00 H new ATOM 0 HB ILE A 53 5.629 -5.114 3.985 1.00 0.00 H new ATOM 0 HG12 ILE A 53 4.087 -3.272 4.474 1.00 0.00 H new ATOM 0 HG13 ILE A 53 3.333 -4.827 4.764 1.00 0.00 H new ATOM 0 HG21 ILE A 53 4.709 -6.759 5.570 1.00 0.00 H new ATOM 0 HG22 ILE A 53 6.469 -6.574 5.761 1.00 0.00 H new ATOM 0 HG23 ILE A 53 5.362 -5.811 6.927 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.766 -3.236 6.533 1.00 0.00 H new ATOM 0 HD12 ILE A 53 3.727 -4.582 7.189 1.00 0.00 H new ATOM 0 HD13 ILE A 53 4.493 -3.003 6.895 1.00 0.00 H new ATOM 787 N CYS A 54 8.216 -4.943 4.023 1.00 0.00 N ATOM 788 CA CYS A 54 9.475 -5.607 3.706 1.00 0.00 C ATOM 789 C CYS A 54 10.657 -4.838 4.288 1.00 0.00 C ATOM 790 O CYS A 54 11.576 -5.429 4.856 1.00 0.00 O ATOM 791 CB CYS A 54 9.637 -5.743 2.191 1.00 0.00 C ATOM 792 SG CYS A 54 8.365 -6.778 1.397 1.00 0.00 S ATOM 0 H CYS A 54 7.589 -4.825 3.227 1.00 0.00 H new ATOM 0 HA CYS A 54 9.455 -6.601 4.153 1.00 0.00 H new ATOM 0 HB2 CYS A 54 9.613 -4.750 1.743 1.00 0.00 H new ATOM 0 HB3 CYS A 54 10.619 -6.165 1.978 1.00 0.00 H new ATOM 797 N ARG A 55 10.627 -3.518 4.143 1.00 0.00 N ATOM 798 CA ARG A 55 11.696 -2.668 4.653 1.00 0.00 C ATOM 799 C ARG A 55 12.230 -3.203 5.979 1.00 0.00 C ATOM 800 O ARG A 55 13.441 -3.300 6.178 1.00 0.00 O ATOM 801 CB ARG A 55 11.194 -1.234 4.835 1.00 0.00 C ATOM 802 CG ARG A 55 12.294 -0.189 4.749 1.00 0.00 C ATOM 803 CD ARG A 55 11.843 1.143 5.328 1.00 0.00 C ATOM 804 NE ARG A 55 12.158 1.257 6.749 1.00 0.00 N ATOM 805 CZ ARG A 55 11.471 2.017 7.595 1.00 0.00 C ATOM 806 NH1 ARG A 55 10.436 2.726 7.166 1.00 0.00 N ATOM 807 NH2 ARG A 55 11.820 2.069 8.875 1.00 0.00 N ATOM 0 H ARG A 55 9.874 -3.013 3.676 1.00 0.00 H new ATOM 0 HA ARG A 55 12.508 -2.672 3.925 1.00 0.00 H new ATOM 0 HB2 ARG A 55 10.442 -1.022 4.075 1.00 0.00 H new ATOM 0 HB3 ARG A 55 10.700 -1.151 5.803 1.00 0.00 H new ATOM 0 HG2 ARG A 55 13.175 -0.541 5.286 1.00 0.00 H new ATOM 0 HG3 ARG A 55 12.588 -0.054 3.708 1.00 0.00 H new ATOM 0 HD2 ARG A 55 12.324 1.956 4.784 1.00 0.00 H new ATOM 0 HD3 ARG A 55 10.768 1.255 5.185 1.00 0.00 H new ATOM 0 HE ARG A 55 12.948 0.724 7.112 1.00 0.00 H new ATOM 0 HH11 ARG A 55 10.165 2.689 6.183 1.00 0.00 H new ATOM 0 HH12 ARG A 55 9.911 3.308 7.819 1.00 0.00 H new ATOM 0 HH21 ARG A 55 12.616 1.525 9.209 1.00 0.00 H new ATOM 0 HH22 ARG A 55 11.292 2.653 9.524 1.00 0.00 H new ATOM 821 N LEU A 56 11.319 -3.547 6.882 1.00 0.00 N ATOM 822 CA LEU A 56 11.697 -4.072 8.190 1.00 0.00 C ATOM 823 C LEU A 56 12.685 -5.225 8.048 1.00 0.00 C ATOM 824 O LEU A 56 13.783 -5.185 8.603 1.00 0.00 O ATOM 825 CB LEU A 56 10.456 -4.539 8.952 1.00 0.00 C ATOM 826 CG LEU A 56 9.658 -3.448 9.667 1.00 0.00 C ATOM 827 CD1 LEU A 56 8.251 -3.935 9.979 1.00 0.00 C ATOM 828 CD2 LEU A 56 10.369 -3.014 10.941 1.00 0.00 C ATOM 0 H LEU A 56 10.313 -3.472 6.733 1.00 0.00 H new ATOM 0 HA LEU A 56 12.179 -3.271 8.751 1.00 0.00 H new ATOM 0 HB2 LEU A 56 9.793 -5.046 8.251 1.00 0.00 H new ATOM 0 HB3 LEU A 56 10.765 -5.279 9.691 1.00 0.00 H new ATOM 0 HG LEU A 56 9.584 -2.585 9.005 1.00 0.00 H new ATOM 0 HD11 LEU A 56 7.697 -3.146 10.488 1.00 0.00 H new ATOM 0 HD12 LEU A 56 7.742 -4.195 9.051 1.00 0.00 H new ATOM 0 HD13 LEU A 56 8.304 -4.813 10.622 1.00 0.00 H new ATOM 0 HD21 LEU A 56 9.786 -2.237 11.436 1.00 0.00 H new ATOM 0 HD22 LEU A 56 10.474 -3.869 11.608 1.00 0.00 H new ATOM 0 HD23 LEU A 56 11.356 -2.624 10.692 1.00 0.00 H new ATOM 840 N GLN A 57 12.288 -6.250 7.301 1.00 0.00 N ATOM 841 CA GLN A 57 13.140 -7.413 7.086 1.00 0.00 C ATOM 842 C GLN A 57 14.609 -7.007 7.018 1.00 0.00 C ATOM 843 O GLN A 57 15.447 -7.552 7.736 1.00 0.00 O ATOM 844 CB GLN A 57 12.738 -8.135 5.798 1.00 0.00 C ATOM 845 CG GLN A 57 13.384 -9.502 5.640 1.00 0.00 C ATOM 846 CD GLN A 57 13.403 -9.975 4.200 1.00 0.00 C ATOM 847 OE1 GLN A 57 13.062 -9.226 3.283 1.00 0.00 O ATOM 848 NE2 GLN A 57 13.802 -11.224 3.992 1.00 0.00 N ATOM 0 H GLN A 57 11.382 -6.299 6.835 1.00 0.00 H new ATOM 0 HA GLN A 57 13.008 -8.090 7.930 1.00 0.00 H new ATOM 0 HB2 GLN A 57 11.654 -8.250 5.779 1.00 0.00 H new ATOM 0 HB3 GLN A 57 13.008 -7.514 4.944 1.00 0.00 H new ATOM 0 HG2 GLN A 57 14.405 -9.463 6.019 1.00 0.00 H new ATOM 0 HG3 GLN A 57 12.845 -10.227 6.250 1.00 0.00 H new ATOM 0 HE21 GLN A 57 14.076 -11.810 4.781 1.00 0.00 H new ATOM 0 HE22 GLN A 57 13.835 -11.598 3.043 1.00 0.00 H new ATOM 857 N MET A 58 14.913 -6.048 6.150 1.00 0.00 N ATOM 858 CA MET A 58 16.281 -5.569 5.990 1.00 0.00 C ATOM 859 C MET A 58 16.438 -4.168 6.574 1.00 0.00 C ATOM 860 O MET A 58 15.980 -3.185 5.990 1.00 0.00 O ATOM 861 CB MET A 58 16.672 -5.564 4.511 1.00 0.00 C ATOM 862 CG MET A 58 18.160 -5.358 4.276 1.00 0.00 C ATOM 863 SD MET A 58 18.702 -5.976 2.672 1.00 0.00 S ATOM 864 CE MET A 58 19.086 -7.678 3.076 1.00 0.00 C ATOM 0 H MET A 58 14.231 -5.588 5.547 1.00 0.00 H new ATOM 0 HA MET A 58 16.942 -6.246 6.531 1.00 0.00 H new ATOM 0 HB2 MET A 58 16.369 -6.509 4.060 1.00 0.00 H new ATOM 0 HB3 MET A 58 16.119 -4.775 4.000 1.00 0.00 H new ATOM 0 HG2 MET A 58 18.392 -4.295 4.349 1.00 0.00 H new ATOM 0 HG3 MET A 58 18.721 -5.861 5.063 1.00 0.00 H new ATOM 0 HE1 MET A 58 19.436 -8.194 2.182 1.00 0.00 H new ATOM 0 HE2 MET A 58 19.864 -7.704 3.839 1.00 0.00 H new ATOM 0 HE3 MET A 58 18.191 -8.173 3.454 1.00 0.00 H new ATOM 874 N THR A 59 17.090 -4.084 7.730 1.00 0.00 N ATOM 875 CA THR A 59 17.306 -2.804 8.393 1.00 0.00 C ATOM 876 C THR A 59 18.268 -1.929 7.598 1.00 0.00 C ATOM 877 O THR A 59 19.444 -2.259 7.448 1.00 0.00 O ATOM 878 CB THR A 59 17.862 -2.996 9.817 1.00 0.00 C ATOM 879 OG1 THR A 59 18.191 -1.726 10.390 1.00 0.00 O ATOM 880 CG2 THR A 59 19.095 -3.886 9.801 1.00 0.00 C ATOM 0 H THR A 59 17.477 -4.887 8.226 1.00 0.00 H new ATOM 0 HA THR A 59 16.336 -2.311 8.453 1.00 0.00 H new ATOM 0 HB THR A 59 17.094 -3.478 10.421 1.00 0.00 H new ATOM 0 HG1 THR A 59 18.542 -1.857 11.296 1.00 0.00 H new ATOM 0 HG21 THR A 59 19.470 -4.007 10.817 1.00 0.00 H new ATOM 0 HG22 THR A 59 18.834 -4.862 9.392 1.00 0.00 H new ATOM 0 HG23 THR A 59 19.866 -3.428 9.182 1.00 0.00 H new ATOM 888 N GLY A 60 17.761 -0.809 7.091 1.00 0.00 N ATOM 889 CA GLY A 60 18.590 0.097 6.318 1.00 0.00 C ATOM 890 C GLY A 60 18.652 -0.282 4.852 1.00 0.00 C ATOM 891 O GLY A 60 18.000 -1.233 4.421 1.00 0.00 O ATOM 0 H GLY A 60 16.791 -0.513 7.202 1.00 0.00 H new ATOM 0 HA2 GLY A 60 18.200 1.111 6.412 1.00 0.00 H new ATOM 0 HA3 GLY A 60 19.599 0.104 6.731 1.00 0.00 H new ATOM 895 N ALA A 61 19.436 0.465 4.081 1.00 0.00 N ATOM 896 CA ALA A 61 19.581 0.202 2.655 1.00 0.00 C ATOM 897 C ALA A 61 20.856 -0.583 2.368 1.00 0.00 C ATOM 898 O ALA A 61 21.661 -0.827 3.265 1.00 0.00 O ATOM 899 CB ALA A 61 19.576 1.508 1.874 1.00 0.00 C ATOM 0 H ALA A 61 19.981 1.258 4.421 1.00 0.00 H new ATOM 0 HA ALA A 61 18.733 -0.403 2.335 1.00 0.00 H new ATOM 0 HB1 ALA A 61 19.685 1.296 0.810 1.00 0.00 H new ATOM 0 HB2 ALA A 61 18.635 2.031 2.045 1.00 0.00 H new ATOM 0 HB3 ALA A 61 20.404 2.134 2.206 1.00 0.00 H new ATOM 905 N ASN A 62 21.032 -0.977 1.111 1.00 0.00 N ATOM 906 CA ASN A 62 22.209 -1.736 0.706 1.00 0.00 C ATOM 907 C ASN A 62 23.449 -0.848 0.686 1.00 0.00 C ATOM 908 O ASN A 62 23.817 -0.303 -0.354 1.00 0.00 O ATOM 909 CB ASN A 62 21.991 -2.357 -0.676 1.00 0.00 C ATOM 910 CG ASN A 62 20.580 -2.883 -0.857 1.00 0.00 C ATOM 911 OD1 ASN A 62 19.627 -2.110 -0.963 1.00 0.00 O ATOM 912 ND2 ASN A 62 20.440 -4.203 -0.893 1.00 0.00 N ATOM 0 H ASN A 62 20.375 -0.783 0.356 1.00 0.00 H new ATOM 0 HA ASN A 62 22.365 -2.532 1.434 1.00 0.00 H new ATOM 0 HB2 ASN A 62 22.199 -1.611 -1.443 1.00 0.00 H new ATOM 0 HB3 ASN A 62 22.701 -3.171 -0.822 1.00 0.00 H new ATOM 0 HD21 ASN A 62 19.514 -4.615 -1.013 1.00 0.00 H new ATOM 0 HD22 ASN A 62 21.258 -4.805 -0.801 1.00 0.00 H new ATOM 919 N GLU A 63 24.089 -0.708 1.843 1.00 0.00 N ATOM 920 CA GLU A 63 25.288 0.114 1.958 1.00 0.00 C ATOM 921 C GLU A 63 26.355 -0.338 0.965 1.00 0.00 C ATOM 922 O GLU A 63 26.980 -1.384 1.143 1.00 0.00 O ATOM 923 CB GLU A 63 25.841 0.052 3.383 1.00 0.00 C ATOM 924 CG GLU A 63 24.923 0.676 4.420 1.00 0.00 C ATOM 925 CD GLU A 63 24.949 2.192 4.385 1.00 0.00 C ATOM 926 OE1 GLU A 63 24.783 2.762 3.286 1.00 0.00 O ATOM 927 OE2 GLU A 63 25.134 2.808 5.455 1.00 0.00 O ATOM 0 H GLU A 63 23.797 -1.153 2.713 1.00 0.00 H new ATOM 0 HA GLU A 63 25.015 1.144 1.727 1.00 0.00 H new ATOM 0 HB2 GLU A 63 26.021 -0.990 3.649 1.00 0.00 H new ATOM 0 HB3 GLU A 63 26.805 0.559 3.412 1.00 0.00 H new ATOM 0 HG2 GLU A 63 23.903 0.330 4.252 1.00 0.00 H new ATOM 0 HG3 GLU A 63 25.217 0.334 5.412 1.00 0.00 H new ATOM 934 N SER A 64 26.558 0.457 -0.080 1.00 0.00 N ATOM 935 CA SER A 64 27.546 0.137 -1.104 1.00 0.00 C ATOM 936 C SER A 64 27.878 1.367 -1.942 1.00 0.00 C ATOM 937 O SER A 64 27.022 1.899 -2.649 1.00 0.00 O ATOM 938 CB SER A 64 27.032 -0.986 -2.006 1.00 0.00 C ATOM 939 OG SER A 64 28.103 -1.662 -2.641 1.00 0.00 O ATOM 0 H SER A 64 26.052 1.328 -0.240 1.00 0.00 H new ATOM 0 HA SER A 64 28.456 -0.196 -0.604 1.00 0.00 H new ATOM 0 HB2 SER A 64 26.451 -1.694 -1.415 1.00 0.00 H new ATOM 0 HB3 SER A 64 26.361 -0.573 -2.759 1.00 0.00 H new ATOM 0 HG SER A 64 27.747 -2.376 -3.210 1.00 0.00 H new ATOM 945 N SER A 65 29.127 1.814 -1.857 1.00 0.00 N ATOM 946 CA SER A 65 29.573 2.985 -2.605 1.00 0.00 C ATOM 947 C SER A 65 30.887 2.701 -3.326 1.00 0.00 C ATOM 948 O SER A 65 31.808 2.118 -2.755 1.00 0.00 O ATOM 949 CB SER A 65 29.740 4.182 -1.667 1.00 0.00 C ATOM 950 OG SER A 65 28.536 4.459 -0.973 1.00 0.00 O ATOM 0 H SER A 65 29.848 1.384 -1.278 1.00 0.00 H new ATOM 0 HA SER A 65 28.814 3.220 -3.351 1.00 0.00 H new ATOM 0 HB2 SER A 65 30.537 3.979 -0.952 1.00 0.00 H new ATOM 0 HB3 SER A 65 30.042 5.058 -2.241 1.00 0.00 H new ATOM 0 HG SER A 65 28.670 5.227 -0.379 1.00 0.00 H new ATOM 956 N GLY A 66 30.966 3.118 -4.585 1.00 0.00 N ATOM 957 CA GLY A 66 32.171 2.901 -5.365 1.00 0.00 C ATOM 958 C GLY A 66 32.633 4.154 -6.081 1.00 0.00 C ATOM 959 O GLY A 66 33.348 4.986 -5.523 1.00 0.00 O ATOM 0 H GLY A 66 30.217 3.603 -5.080 1.00 0.00 H new ATOM 0 HA2 GLY A 66 32.966 2.548 -4.708 1.00 0.00 H new ATOM 0 HA3 GLY A 66 31.989 2.114 -6.097 1.00 0.00 H new ATOM 963 N PRO A 67 32.221 4.302 -7.349 1.00 0.00 N ATOM 964 CA PRO A 67 32.586 5.460 -8.170 1.00 0.00 C ATOM 965 C PRO A 67 31.909 6.742 -7.698 1.00 0.00 C ATOM 966 O PRO A 67 30.839 7.107 -8.185 1.00 0.00 O ATOM 967 CB PRO A 67 32.088 5.076 -9.566 1.00 0.00 C ATOM 968 CG PRO A 67 30.985 4.105 -9.321 1.00 0.00 C ATOM 969 CD PRO A 67 31.366 3.350 -8.078 1.00 0.00 C ATOM 0 HA PRO A 67 33.655 5.670 -8.126 1.00 0.00 H new ATOM 0 HB2 PRO A 67 31.733 5.949 -10.113 1.00 0.00 H new ATOM 0 HB3 PRO A 67 32.884 4.629 -10.161 1.00 0.00 H new ATOM 0 HG2 PRO A 67 30.034 4.620 -9.188 1.00 0.00 H new ATOM 0 HG3 PRO A 67 30.866 3.428 -10.167 1.00 0.00 H new ATOM 0 HD2 PRO A 67 30.490 3.069 -7.494 1.00 0.00 H new ATOM 0 HD3 PRO A 67 31.900 2.430 -8.315 1.00 0.00 H new ATOM 977 N SER A 68 32.540 7.423 -6.746 1.00 0.00 N ATOM 978 CA SER A 68 31.997 8.663 -6.205 1.00 0.00 C ATOM 979 C SER A 68 32.201 9.817 -7.182 1.00 0.00 C ATOM 980 O SER A 68 33.328 10.122 -7.573 1.00 0.00 O ATOM 981 CB SER A 68 32.656 8.992 -4.865 1.00 0.00 C ATOM 982 OG SER A 68 32.265 8.069 -3.863 1.00 0.00 O ATOM 0 H SER A 68 33.428 7.136 -6.334 1.00 0.00 H new ATOM 0 HA SER A 68 30.927 8.525 -6.051 1.00 0.00 H new ATOM 0 HB2 SER A 68 33.740 8.975 -4.976 1.00 0.00 H new ATOM 0 HB3 SER A 68 32.382 10.002 -4.560 1.00 0.00 H new ATOM 0 HG SER A 68 32.701 8.301 -3.017 1.00 0.00 H new ATOM 988 N SER A 69 31.102 10.455 -7.573 1.00 0.00 N ATOM 989 CA SER A 69 31.159 11.573 -8.507 1.00 0.00 C ATOM 990 C SER A 69 32.218 12.585 -8.081 1.00 0.00 C ATOM 991 O SER A 69 32.206 13.075 -6.952 1.00 0.00 O ATOM 992 CB SER A 69 29.793 12.257 -8.601 1.00 0.00 C ATOM 993 OG SER A 69 28.960 11.605 -9.544 1.00 0.00 O ATOM 0 H SER A 69 30.162 10.217 -7.257 1.00 0.00 H new ATOM 0 HA SER A 69 31.430 11.181 -9.487 1.00 0.00 H new ATOM 0 HB2 SER A 69 29.313 12.253 -7.623 1.00 0.00 H new ATOM 0 HB3 SER A 69 29.924 13.301 -8.887 1.00 0.00 H new ATOM 0 HG SER A 69 28.093 12.060 -9.584 1.00 0.00 H new ATOM 999 N GLY A 70 33.135 12.892 -8.993 1.00 0.00 N ATOM 1000 CA GLY A 70 34.190 13.843 -8.693 1.00 0.00 C ATOM 1001 C GLY A 70 33.681 15.054 -7.936 1.00 0.00 C ATOM 1002 O GLY A 70 32.810 15.757 -8.447 1.00 0.00 O ATOM 0 H GLY A 70 33.166 12.500 -9.934 1.00 0.00 H new ATOM 0 HA2 GLY A 70 34.963 13.349 -8.105 1.00 0.00 H new ATOM 0 HA3 GLY A 70 34.656 14.169 -9.623 1.00 0.00 H new TER 1006 GLY A 70 HETATM 1007 ZN ZN A 201 -4.734 0.146 6.659 1.00 0.00 ZN HETATM 1008 ZN ZN A 401 6.273 -6.047 1.238 1.00 0.00 ZN