USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 552 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ -109:sc= 0.0705 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0.0089 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0.00195 USER MOD Single : A 12 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.303) USER MOD Single : A 14 LYS NZ :NH3+ -137:sc= -0.0306 (180deg=-0.247) USER MOD Single : A 17 LYS NZ :NH3+ 152:sc= -0.138 (180deg=-0.704) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 22 HIS : no HD1:sc= -0.974 K(o=-0.97,f=-0.044) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot -82:sc= 0.399 USER MOD Single : A 32 GLN : amide:sc= -5.58! K(o=-5.6!,f=-1.9) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot -80:sc= -0.218 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 2:sc= 0.457! USER MOD Single : A 43 ASN : amide:sc= -7.7! C(o=-7.7!,f=-7.5!) USER MOD Single : A 44 THR OG1 : rot 72:sc= 1.21 USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 HIS : no HD1:sc= -0.947 K(o=-0.95,f=-0.42) USER MOD Single : A 59 GLN : amide:sc= -2.89! C(o=-2.9!,f=-3.9!) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= -0.788 X(o=-0.79,f=-0.68) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 120:sc= -0.485 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc=-0.00361 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.595 -62.650 -32.672 1.00 0.00 N ATOM 2 CA GLY A 1 -14.326 -61.420 -32.428 1.00 0.00 C ATOM 3 C GLY A 1 -13.837 -60.690 -31.193 1.00 0.00 C ATOM 4 O GLY A 1 -13.077 -61.242 -30.398 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.987 -62.532 -33.507 1.00 0.00 H new ATOM 0 H2 GLY A 1 -13.007 -62.874 -31.844 1.00 0.00 H new ATOM 0 H3 GLY A 1 -14.267 -63.426 -32.840 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -14.230 -60.766 -33.295 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -15.386 -61.647 -32.316 1.00 0.00 H new ATOM 8 N SER A 2 -14.273 -59.445 -31.032 1.00 0.00 N ATOM 9 CA SER A 2 -13.870 -58.636 -29.888 1.00 0.00 C ATOM 10 C SER A 2 -14.657 -57.330 -29.842 1.00 0.00 C ATOM 11 O SER A 2 -15.161 -56.860 -30.862 1.00 0.00 O ATOM 12 CB SER A 2 -12.371 -58.340 -29.948 1.00 0.00 C ATOM 13 OG SER A 2 -11.843 -58.114 -28.652 1.00 0.00 O ATOM 0 H SER A 2 -14.905 -58.975 -31.679 1.00 0.00 H new ATOM 0 HA SER A 2 -14.085 -59.201 -28.981 1.00 0.00 H new ATOM 0 HB2 SER A 2 -11.851 -59.176 -30.415 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.195 -57.465 -30.574 1.00 0.00 H new ATOM 0 HG SER A 2 -10.883 -57.929 -28.718 1.00 0.00 H new ATOM 19 N SER A 3 -14.757 -56.748 -28.651 1.00 0.00 N ATOM 20 CA SER A 3 -15.485 -55.498 -28.470 1.00 0.00 C ATOM 21 C SER A 3 -15.098 -54.829 -27.154 1.00 0.00 C ATOM 22 O SER A 3 -14.322 -55.376 -26.372 1.00 0.00 O ATOM 23 CB SER A 3 -16.994 -55.752 -28.501 1.00 0.00 C ATOM 24 OG SER A 3 -17.709 -54.550 -28.729 1.00 0.00 O ATOM 0 H SER A 3 -14.343 -57.122 -27.797 1.00 0.00 H new ATOM 0 HA SER A 3 -15.219 -54.830 -29.289 1.00 0.00 H new ATOM 0 HB2 SER A 3 -17.229 -56.473 -29.285 1.00 0.00 H new ATOM 0 HB3 SER A 3 -17.311 -56.194 -27.556 1.00 0.00 H new ATOM 0 HG SER A 3 -18.670 -54.739 -28.746 1.00 0.00 H new ATOM 30 N GLY A 4 -15.645 -53.640 -26.919 1.00 0.00 N ATOM 31 CA GLY A 4 -15.345 -52.915 -25.698 1.00 0.00 C ATOM 32 C GLY A 4 -14.821 -51.518 -25.967 1.00 0.00 C ATOM 33 O GLY A 4 -15.229 -50.870 -26.930 1.00 0.00 O ATOM 0 H GLY A 4 -16.290 -53.166 -27.552 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -16.245 -52.851 -25.087 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -14.607 -53.472 -25.121 1.00 0.00 H new ATOM 37 N SER A 5 -13.915 -51.053 -25.113 1.00 0.00 N ATOM 38 CA SER A 5 -13.338 -49.722 -25.260 1.00 0.00 C ATOM 39 C SER A 5 -14.362 -48.645 -24.916 1.00 0.00 C ATOM 40 O SER A 5 -14.467 -47.630 -25.605 1.00 0.00 O ATOM 41 CB SER A 5 -12.827 -49.519 -26.688 1.00 0.00 C ATOM 42 OG SER A 5 -11.797 -48.547 -26.728 1.00 0.00 O ATOM 0 H SER A 5 -13.565 -51.578 -24.312 1.00 0.00 H new ATOM 0 HA SER A 5 -12.501 -49.637 -24.567 1.00 0.00 H new ATOM 0 HB2 SER A 5 -12.454 -50.465 -27.082 1.00 0.00 H new ATOM 0 HB3 SER A 5 -13.650 -49.208 -27.331 1.00 0.00 H new ATOM 0 HG SER A 5 -11.487 -48.437 -27.651 1.00 0.00 H new ATOM 48 N SER A 6 -15.117 -48.874 -23.846 1.00 0.00 N ATOM 49 CA SER A 6 -16.136 -47.926 -23.412 1.00 0.00 C ATOM 50 C SER A 6 -15.703 -47.208 -22.137 1.00 0.00 C ATOM 51 O SER A 6 -14.661 -47.518 -21.560 1.00 0.00 O ATOM 52 CB SER A 6 -17.466 -48.646 -23.178 1.00 0.00 C ATOM 53 OG SER A 6 -18.548 -47.732 -23.183 1.00 0.00 O ATOM 0 H SER A 6 -15.042 -49.708 -23.264 1.00 0.00 H new ATOM 0 HA SER A 6 -16.266 -47.184 -24.200 1.00 0.00 H new ATOM 0 HB2 SER A 6 -17.617 -49.398 -23.953 1.00 0.00 H new ATOM 0 HB3 SER A 6 -17.435 -49.173 -22.224 1.00 0.00 H new ATOM 0 HG SER A 6 -19.386 -48.217 -23.033 1.00 0.00 H new ATOM 59 N GLY A 7 -16.511 -46.246 -21.703 1.00 0.00 N ATOM 60 CA GLY A 7 -16.196 -45.498 -20.500 1.00 0.00 C ATOM 61 C GLY A 7 -16.135 -44.004 -20.746 1.00 0.00 C ATOM 62 O GLY A 7 -15.387 -43.538 -21.607 1.00 0.00 O ATOM 0 H GLY A 7 -17.379 -45.971 -22.163 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -16.947 -45.707 -19.739 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -15.239 -45.838 -20.105 1.00 0.00 H new ATOM 66 N LEU A 8 -16.925 -43.249 -19.990 1.00 0.00 N ATOM 67 CA LEU A 8 -16.960 -41.798 -20.131 1.00 0.00 C ATOM 68 C LEU A 8 -17.394 -41.134 -18.828 1.00 0.00 C ATOM 69 O LEU A 8 -18.558 -41.217 -18.434 1.00 0.00 O ATOM 70 CB LEU A 8 -17.910 -41.398 -21.261 1.00 0.00 C ATOM 71 CG LEU A 8 -18.204 -39.903 -21.394 1.00 0.00 C ATOM 72 CD1 LEU A 8 -17.142 -39.224 -22.245 1.00 0.00 C ATOM 73 CD2 LEU A 8 -19.588 -39.682 -21.986 1.00 0.00 C ATOM 0 H LEU A 8 -17.550 -43.618 -19.273 1.00 0.00 H new ATOM 0 HA LEU A 8 -15.953 -41.457 -20.373 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -17.490 -41.750 -22.203 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -18.855 -41.922 -21.117 1.00 0.00 H new ATOM 0 HG LEU A 8 -18.182 -39.458 -20.399 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -17.368 -38.161 -22.329 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -16.165 -39.352 -21.778 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -17.131 -39.672 -23.239 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -19.780 -38.613 -22.073 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -19.639 -40.142 -22.973 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -20.338 -40.133 -21.336 1.00 0.00 H new ATOM 85 N LEU A 9 -16.451 -40.475 -18.163 1.00 0.00 N ATOM 86 CA LEU A 9 -16.736 -39.794 -16.905 1.00 0.00 C ATOM 87 C LEU A 9 -15.534 -38.977 -16.443 1.00 0.00 C ATOM 88 O LEU A 9 -14.401 -39.246 -16.839 1.00 0.00 O ATOM 89 CB LEU A 9 -17.120 -40.811 -15.828 1.00 0.00 C ATOM 90 CG LEU A 9 -16.014 -41.771 -15.387 1.00 0.00 C ATOM 91 CD1 LEU A 9 -15.225 -41.180 -14.229 1.00 0.00 C ATOM 92 CD2 LEU A 9 -16.602 -43.120 -15.000 1.00 0.00 C ATOM 0 H LEU A 9 -15.483 -40.398 -18.474 1.00 0.00 H new ATOM 0 HA LEU A 9 -17.572 -39.114 -17.070 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -17.472 -40.267 -14.952 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -17.960 -41.400 -16.196 1.00 0.00 H new ATOM 0 HG LEU A 9 -15.333 -41.920 -16.225 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -14.443 -41.877 -13.929 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -14.773 -40.238 -14.540 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -15.894 -41.001 -13.387 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -15.801 -43.790 -14.689 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -17.305 -42.988 -14.177 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -17.122 -43.549 -15.856 1.00 0.00 H new ATOM 104 N GLU A 10 -15.791 -37.979 -15.603 1.00 0.00 N ATOM 105 CA GLU A 10 -14.729 -37.124 -15.087 1.00 0.00 C ATOM 106 C GLU A 10 -15.217 -36.311 -13.891 1.00 0.00 C ATOM 107 O GLU A 10 -16.405 -36.007 -13.778 1.00 0.00 O ATOM 108 CB GLU A 10 -14.222 -36.184 -16.183 1.00 0.00 C ATOM 109 CG GLU A 10 -13.021 -35.353 -15.765 1.00 0.00 C ATOM 110 CD GLU A 10 -11.706 -36.079 -15.975 1.00 0.00 C ATOM 111 OE1 GLU A 10 -11.669 -37.007 -16.811 1.00 0.00 O ATOM 112 OE2 GLU A 10 -10.716 -35.721 -15.305 1.00 0.00 O ATOM 0 H GLU A 10 -16.724 -37.743 -15.266 1.00 0.00 H new ATOM 0 HA GLU A 10 -13.910 -37.764 -14.760 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -13.958 -36.773 -17.061 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -15.030 -35.515 -16.479 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -13.013 -34.423 -16.333 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -13.119 -35.084 -14.713 1.00 0.00 H new ATOM 119 N ILE A 11 -14.293 -35.964 -13.002 1.00 0.00 N ATOM 120 CA ILE A 11 -14.629 -35.186 -11.816 1.00 0.00 C ATOM 121 C ILE A 11 -14.397 -33.697 -12.050 1.00 0.00 C ATOM 122 O ILE A 11 -13.530 -33.308 -12.833 1.00 0.00 O ATOM 123 CB ILE A 11 -13.804 -35.637 -10.595 1.00 0.00 C ATOM 124 CG1 ILE A 11 -13.958 -37.143 -10.376 1.00 0.00 C ATOM 125 CG2 ILE A 11 -14.233 -34.869 -9.354 1.00 0.00 C ATOM 126 CD1 ILE A 11 -12.887 -37.965 -11.058 1.00 0.00 C ATOM 0 H ILE A 11 -13.306 -36.209 -13.080 1.00 0.00 H new ATOM 0 HA ILE A 11 -15.686 -35.359 -11.615 1.00 0.00 H new ATOM 0 HB ILE A 11 -12.752 -35.423 -10.786 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -13.938 -37.350 -9.306 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -14.935 -37.457 -10.743 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -13.642 -35.198 -8.500 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -14.076 -33.802 -9.514 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -15.289 -35.055 -9.158 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -13.059 -39.023 -10.860 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -12.921 -37.787 -12.133 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -11.908 -37.678 -10.673 1.00 0.00 H new ATOM 138 N LYS A 12 -15.177 -32.868 -11.366 1.00 0.00 N ATOM 139 CA LYS A 12 -15.057 -31.421 -11.496 1.00 0.00 C ATOM 140 C LYS A 12 -15.392 -30.726 -10.180 1.00 0.00 C ATOM 141 O LYS A 12 -16.555 -30.655 -9.783 1.00 0.00 O ATOM 142 CB LYS A 12 -15.980 -30.909 -12.604 1.00 0.00 C ATOM 143 CG LYS A 12 -15.470 -31.204 -14.004 1.00 0.00 C ATOM 144 CD LYS A 12 -16.001 -32.530 -14.523 1.00 0.00 C ATOM 145 CE LYS A 12 -17.285 -32.343 -15.318 1.00 0.00 C ATOM 146 NZ LYS A 12 -18.493 -32.450 -14.453 1.00 0.00 N ATOM 0 H LYS A 12 -15.900 -33.174 -10.715 1.00 0.00 H new ATOM 0 HA LYS A 12 -14.024 -31.190 -11.756 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -16.965 -31.360 -12.482 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -16.106 -29.832 -12.492 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -15.770 -30.402 -14.678 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -14.380 -31.225 -13.998 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -15.248 -33.004 -15.152 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -16.185 -33.203 -13.685 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -17.272 -31.368 -15.805 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -17.336 -33.093 -16.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -19.337 -32.572 -15.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -18.395 -33.269 -13.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -18.592 -31.584 -13.886 1.00 0.00 H new ATOM 160 N ARG A 13 -14.366 -30.215 -9.508 1.00 0.00 N ATOM 161 CA ARG A 13 -14.552 -29.525 -8.237 1.00 0.00 C ATOM 162 C ARG A 13 -13.399 -28.564 -7.966 1.00 0.00 C ATOM 163 O ARG A 13 -12.257 -28.823 -8.345 1.00 0.00 O ATOM 164 CB ARG A 13 -14.665 -30.538 -7.095 1.00 0.00 C ATOM 165 CG ARG A 13 -14.705 -29.899 -5.717 1.00 0.00 C ATOM 166 CD ARG A 13 -16.087 -29.352 -5.396 1.00 0.00 C ATOM 167 NE ARG A 13 -16.231 -29.027 -3.979 1.00 0.00 N ATOM 168 CZ ARG A 13 -15.850 -27.871 -3.448 1.00 0.00 C ATOM 169 NH1 ARG A 13 -15.305 -26.934 -4.211 1.00 0.00 N ATOM 170 NH2 ARG A 13 -16.015 -27.650 -2.150 1.00 0.00 N ATOM 0 H ARG A 13 -13.397 -30.266 -9.822 1.00 0.00 H new ATOM 0 HA ARG A 13 -15.476 -28.949 -8.296 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -15.567 -31.133 -7.237 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -13.819 -31.224 -7.144 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -14.420 -30.635 -4.965 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -13.973 -29.093 -5.667 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -16.271 -28.459 -5.993 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -16.842 -30.086 -5.678 1.00 0.00 H new ATOM 0 HE ARG A 13 -16.647 -29.726 -3.364 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -15.177 -27.100 -5.209 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -15.014 -26.047 -3.800 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -16.435 -28.368 -1.560 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -15.722 -26.762 -1.743 1.00 0.00 H new ATOM 184 N LYS A 14 -13.706 -27.451 -7.307 1.00 0.00 N ATOM 185 CA LYS A 14 -12.697 -26.449 -6.984 1.00 0.00 C ATOM 186 C LYS A 14 -12.209 -26.613 -5.548 1.00 0.00 C ATOM 187 O LYS A 14 -12.077 -25.636 -4.812 1.00 0.00 O ATOM 188 CB LYS A 14 -13.263 -25.042 -7.184 1.00 0.00 C ATOM 189 CG LYS A 14 -12.195 -23.974 -7.346 1.00 0.00 C ATOM 190 CD LYS A 14 -11.387 -24.181 -8.616 1.00 0.00 C ATOM 191 CE LYS A 14 -10.825 -22.867 -9.139 1.00 0.00 C ATOM 192 NZ LYS A 14 -11.895 -21.981 -9.677 1.00 0.00 N ATOM 0 H LYS A 14 -14.646 -27.220 -6.986 1.00 0.00 H new ATOM 0 HA LYS A 14 -11.851 -26.592 -7.656 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -13.904 -25.039 -8.065 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -13.892 -24.788 -6.331 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -12.664 -22.990 -7.368 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -11.529 -23.990 -6.483 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -10.570 -24.875 -8.420 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -12.017 -24.638 -9.379 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -10.297 -22.353 -8.336 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -10.094 -23.070 -9.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -11.575 -21.553 -10.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -12.754 -22.540 -9.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -12.104 -21.231 -8.988 1.00 0.00 H new ATOM 206 N GLY A 15 -11.940 -27.855 -5.157 1.00 0.00 N ATOM 207 CA GLY A 15 -11.468 -28.123 -3.811 1.00 0.00 C ATOM 208 C GLY A 15 -10.628 -29.382 -3.731 1.00 0.00 C ATOM 209 O GLY A 15 -10.341 -30.010 -4.749 1.00 0.00 O ATOM 0 H GLY A 15 -12.040 -28.680 -5.748 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -10.880 -27.275 -3.460 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -12.323 -28.217 -3.142 1.00 0.00 H new ATOM 213 N ALA A 16 -10.232 -29.751 -2.517 1.00 0.00 N ATOM 214 CA ALA A 16 -9.420 -30.943 -2.308 1.00 0.00 C ATOM 215 C ALA A 16 -9.380 -31.329 -0.833 1.00 0.00 C ATOM 216 O ALA A 16 -9.840 -30.579 0.028 1.00 0.00 O ATOM 217 CB ALA A 16 -8.010 -30.721 -2.836 1.00 0.00 C ATOM 0 H ALA A 16 -10.461 -29.241 -1.664 1.00 0.00 H new ATOM 0 HA ALA A 16 -9.877 -31.765 -2.859 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -7.415 -31.620 -2.673 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -8.051 -30.502 -3.903 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -7.553 -29.883 -2.311 1.00 0.00 H new ATOM 223 N LYS A 17 -8.827 -32.503 -0.549 1.00 0.00 N ATOM 224 CA LYS A 17 -8.726 -32.989 0.822 1.00 0.00 C ATOM 225 C LYS A 17 -8.040 -31.960 1.715 1.00 0.00 C ATOM 226 O LYS A 17 -8.585 -31.553 2.742 1.00 0.00 O ATOM 227 CB LYS A 17 -7.953 -34.310 0.861 1.00 0.00 C ATOM 228 CG LYS A 17 -8.127 -35.077 2.160 1.00 0.00 C ATOM 229 CD LYS A 17 -7.493 -34.344 3.331 1.00 0.00 C ATOM 230 CE LYS A 17 -7.106 -35.303 4.446 1.00 0.00 C ATOM 231 NZ LYS A 17 -6.079 -36.285 4.002 1.00 0.00 N ATOM 0 H LYS A 17 -8.442 -33.136 -1.250 1.00 0.00 H new ATOM 0 HA LYS A 17 -9.736 -33.154 1.198 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -8.280 -34.937 0.032 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -6.893 -34.106 0.708 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -9.189 -35.227 2.355 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -7.678 -36.066 2.063 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -6.609 -33.806 2.989 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -8.190 -33.599 3.716 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -6.724 -34.737 5.295 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -7.992 -35.836 4.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -5.509 -36.584 4.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -6.549 -37.114 3.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -5.461 -35.844 3.292 1.00 0.00 H new ATOM 245 N ARG A 18 -6.842 -31.542 1.317 1.00 0.00 N ATOM 246 CA ARG A 18 -6.083 -30.560 2.082 1.00 0.00 C ATOM 247 C ARG A 18 -6.469 -29.140 1.678 1.00 0.00 C ATOM 248 O ARG A 18 -6.188 -28.703 0.563 1.00 0.00 O ATOM 249 CB ARG A 18 -4.582 -30.771 1.873 1.00 0.00 C ATOM 250 CG ARG A 18 -4.142 -30.629 0.425 1.00 0.00 C ATOM 251 CD ARG A 18 -2.795 -31.293 0.184 1.00 0.00 C ATOM 252 NE ARG A 18 -2.838 -32.728 0.449 1.00 0.00 N ATOM 253 CZ ARG A 18 -1.754 -33.491 0.538 1.00 0.00 C ATOM 254 NH1 ARG A 18 -0.549 -32.959 0.384 1.00 0.00 N ATOM 255 NH2 ARG A 18 -1.874 -34.790 0.782 1.00 0.00 N ATOM 0 H ARG A 18 -6.377 -31.868 0.470 1.00 0.00 H new ATOM 0 HA ARG A 18 -6.319 -30.696 3.137 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -4.034 -30.052 2.482 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -4.310 -31.764 2.231 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -4.891 -31.075 -0.229 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -4.080 -29.572 0.164 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -2.487 -31.124 -0.848 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -2.043 -30.829 0.822 1.00 0.00 H new ATOM 0 HE ARG A 18 -3.750 -33.169 0.573 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -0.452 -31.961 0.197 1.00 0.00 H new ATOM 0 HH12 ARG A 18 0.281 -33.548 0.453 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -2.799 -35.203 0.901 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -1.041 -35.375 0.850 1.00 0.00 H new ATOM 269 N GLY A 19 -7.116 -28.425 2.594 1.00 0.00 N ATOM 270 CA GLY A 19 -7.530 -27.063 2.315 1.00 0.00 C ATOM 271 C GLY A 19 -8.809 -27.001 1.502 1.00 0.00 C ATOM 272 O GLY A 19 -8.790 -27.200 0.288 1.00 0.00 O ATOM 0 H GLY A 19 -7.360 -28.765 3.524 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -7.674 -26.531 3.255 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -6.735 -26.548 1.776 1.00 0.00 H new ATOM 276 N SER A 20 -9.922 -26.727 2.174 1.00 0.00 N ATOM 277 CA SER A 20 -11.216 -26.645 1.507 1.00 0.00 C ATOM 278 C SER A 20 -11.564 -25.198 1.172 1.00 0.00 C ATOM 279 O SER A 20 -11.756 -24.849 0.007 1.00 0.00 O ATOM 280 CB SER A 20 -12.308 -27.252 2.390 1.00 0.00 C ATOM 281 OG SER A 20 -12.326 -28.665 2.280 1.00 0.00 O ATOM 0 H SER A 20 -9.954 -26.558 3.179 1.00 0.00 H new ATOM 0 HA SER A 20 -11.154 -27.210 0.577 1.00 0.00 H new ATOM 0 HB2 SER A 20 -12.140 -26.967 3.429 1.00 0.00 H new ATOM 0 HB3 SER A 20 -13.279 -26.849 2.102 1.00 0.00 H new ATOM 0 HG SER A 20 -13.031 -29.029 2.855 1.00 0.00 H new ATOM 287 N GLN A 21 -11.643 -24.361 2.201 1.00 0.00 N ATOM 288 CA GLN A 21 -11.968 -22.952 2.017 1.00 0.00 C ATOM 289 C GLN A 21 -10.766 -22.181 1.481 1.00 0.00 C ATOM 290 O GLN A 21 -10.013 -21.576 2.245 1.00 0.00 O ATOM 291 CB GLN A 21 -12.436 -22.337 3.337 1.00 0.00 C ATOM 292 CG GLN A 21 -13.927 -22.497 3.588 1.00 0.00 C ATOM 293 CD GLN A 21 -14.320 -22.149 5.010 1.00 0.00 C ATOM 294 OE1 GLN A 21 -13.519 -21.608 5.773 1.00 0.00 O ATOM 295 NE2 GLN A 21 -15.559 -22.457 5.374 1.00 0.00 N ATOM 0 H GLN A 21 -11.486 -24.634 3.171 1.00 0.00 H new ATOM 0 HA GLN A 21 -12.775 -22.884 1.287 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -11.886 -22.798 4.158 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -12.187 -21.276 3.342 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -14.478 -21.860 2.896 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -14.219 -23.525 3.376 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -16.189 -22.905 4.709 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -15.880 -22.246 6.319 1.00 0.00 H new ATOM 304 N HIS A 22 -10.591 -22.208 0.164 1.00 0.00 N ATOM 305 CA HIS A 22 -9.480 -21.511 -0.474 1.00 0.00 C ATOM 306 C HIS A 22 -9.903 -20.931 -1.820 1.00 0.00 C ATOM 307 O HIS A 22 -10.490 -21.626 -2.650 1.00 0.00 O ATOM 308 CB HIS A 22 -8.297 -22.461 -0.664 1.00 0.00 C ATOM 309 CG HIS A 22 -7.605 -22.819 0.615 1.00 0.00 C ATOM 310 ND1 HIS A 22 -6.568 -22.079 1.143 1.00 0.00 N ATOM 311 CD2 HIS A 22 -7.808 -23.846 1.474 1.00 0.00 C ATOM 312 CE1 HIS A 22 -6.162 -22.636 2.270 1.00 0.00 C ATOM 313 NE2 HIS A 22 -6.899 -23.709 2.494 1.00 0.00 N ATOM 0 H HIS A 22 -11.204 -22.705 -0.482 1.00 0.00 H new ATOM 0 HA HIS A 22 -9.177 -20.690 0.176 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -8.648 -23.374 -1.145 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -7.577 -22.001 -1.341 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -8.547 -24.627 1.375 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -5.363 -22.275 2.901 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -6.808 -24.334 3.295 1.00 0.00 H new ATOM 321 N TYR A 23 -9.602 -19.654 -2.030 1.00 0.00 N ATOM 322 CA TYR A 23 -9.954 -18.980 -3.274 1.00 0.00 C ATOM 323 C TYR A 23 -9.234 -17.640 -3.390 1.00 0.00 C ATOM 324 O TYR A 23 -8.644 -17.154 -2.425 1.00 0.00 O ATOM 325 CB TYR A 23 -11.467 -18.767 -3.352 1.00 0.00 C ATOM 326 CG TYR A 23 -11.992 -18.668 -4.767 1.00 0.00 C ATOM 327 CD1 TYR A 23 -12.311 -19.810 -5.492 1.00 0.00 C ATOM 328 CD2 TYR A 23 -12.167 -17.434 -5.379 1.00 0.00 C ATOM 329 CE1 TYR A 23 -12.790 -19.725 -6.785 1.00 0.00 C ATOM 330 CE2 TYR A 23 -12.647 -17.339 -6.671 1.00 0.00 C ATOM 331 CZ TYR A 23 -12.957 -18.487 -7.370 1.00 0.00 C ATOM 332 OH TYR A 23 -13.434 -18.397 -8.657 1.00 0.00 O ATOM 0 H TYR A 23 -9.115 -19.065 -1.355 1.00 0.00 H new ATOM 0 HA TYR A 23 -9.639 -19.614 -4.103 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -11.968 -19.591 -2.844 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -11.726 -17.856 -2.813 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -12.182 -20.781 -5.037 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -11.924 -16.533 -4.836 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -13.032 -20.623 -7.335 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -12.779 -16.371 -7.131 1.00 0.00 H new ATOM 0 HH TYR A 23 -13.494 -17.454 -8.919 1.00 0.00 H new ATOM 342 N SER A 24 -9.289 -17.047 -4.578 1.00 0.00 N ATOM 343 CA SER A 24 -8.640 -15.765 -4.823 1.00 0.00 C ATOM 344 C SER A 24 -9.076 -14.729 -3.791 1.00 0.00 C ATOM 345 O SER A 24 -10.265 -14.581 -3.509 1.00 0.00 O ATOM 346 CB SER A 24 -8.965 -15.266 -6.232 1.00 0.00 C ATOM 347 OG SER A 24 -8.019 -15.743 -7.173 1.00 0.00 O ATOM 0 H SER A 24 -9.776 -17.434 -5.386 1.00 0.00 H new ATOM 0 HA SER A 24 -7.563 -15.908 -4.735 1.00 0.00 H new ATOM 0 HB2 SER A 24 -9.964 -15.596 -6.517 1.00 0.00 H new ATOM 0 HB3 SER A 24 -8.975 -14.176 -6.242 1.00 0.00 H new ATOM 0 HG SER A 24 -8.250 -15.412 -8.066 1.00 0.00 H new ATOM 353 N ASP A 25 -8.106 -14.015 -3.232 1.00 0.00 N ATOM 354 CA ASP A 25 -8.388 -12.992 -2.232 1.00 0.00 C ATOM 355 C ASP A 25 -7.471 -11.787 -2.414 1.00 0.00 C ATOM 356 O ASP A 25 -6.345 -11.918 -2.894 1.00 0.00 O ATOM 357 CB ASP A 25 -8.223 -13.566 -0.824 1.00 0.00 C ATOM 358 CG ASP A 25 -6.774 -13.601 -0.379 1.00 0.00 C ATOM 359 OD1 ASP A 25 -6.023 -14.469 -0.871 1.00 0.00 O ATOM 360 OD2 ASP A 25 -6.391 -12.760 0.461 1.00 0.00 O ATOM 0 H ASP A 25 -7.117 -14.126 -3.454 1.00 0.00 H new ATOM 0 HA ASP A 25 -9.419 -12.664 -2.364 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -8.802 -12.967 -0.121 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -8.633 -14.576 -0.796 1.00 0.00 H new ATOM 365 N ARG A 26 -7.962 -10.613 -2.029 1.00 0.00 N ATOM 366 CA ARG A 26 -7.187 -9.384 -2.152 1.00 0.00 C ATOM 367 C ARG A 26 -7.108 -8.655 -0.813 1.00 0.00 C ATOM 368 O ARG A 26 -8.036 -7.944 -0.425 1.00 0.00 O ATOM 369 CB ARG A 26 -7.809 -8.468 -3.208 1.00 0.00 C ATOM 370 CG ARG A 26 -7.867 -9.088 -4.594 1.00 0.00 C ATOM 371 CD ARG A 26 -6.474 -9.354 -5.144 1.00 0.00 C ATOM 372 NE ARG A 26 -6.517 -9.948 -6.477 1.00 0.00 N ATOM 373 CZ ARG A 26 -6.648 -11.252 -6.697 1.00 0.00 C ATOM 374 NH1 ARG A 26 -6.750 -12.093 -5.677 1.00 0.00 N ATOM 375 NH2 ARG A 26 -6.679 -11.716 -7.940 1.00 0.00 N ATOM 0 H ARG A 26 -8.892 -10.487 -1.630 1.00 0.00 H new ATOM 0 HA ARG A 26 -6.176 -9.650 -2.461 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -8.819 -8.201 -2.896 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -7.236 -7.542 -3.257 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -8.428 -10.022 -4.553 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -8.405 -8.423 -5.269 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -5.914 -8.419 -5.181 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -5.938 -10.020 -4.467 1.00 0.00 H new ATOM 0 HE ARG A 26 -6.442 -9.328 -7.284 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -6.728 -11.740 -4.720 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -6.850 -13.093 -5.849 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -6.602 -11.072 -8.727 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -6.780 -12.717 -8.108 1.00 0.00 H new ATOM 389 N THR A 27 -5.994 -8.836 -0.111 1.00 0.00 N ATOM 390 CA THR A 27 -5.794 -8.198 1.184 1.00 0.00 C ATOM 391 C THR A 27 -4.433 -7.516 1.256 1.00 0.00 C ATOM 392 O THR A 27 -3.502 -7.888 0.542 1.00 0.00 O ATOM 393 CB THR A 27 -5.908 -9.215 2.335 1.00 0.00 C ATOM 394 OG1 THR A 27 -5.479 -10.508 1.891 1.00 0.00 O ATOM 395 CG2 THR A 27 -7.339 -9.298 2.845 1.00 0.00 C ATOM 0 H THR A 27 -5.216 -9.420 -0.418 1.00 0.00 H new ATOM 0 HA THR A 27 -6.579 -7.449 1.292 1.00 0.00 H new ATOM 0 HB THR A 27 -5.267 -8.880 3.151 1.00 0.00 H new ATOM 0 HG1 THR A 27 -6.212 -10.949 1.412 1.00 0.00 H new ATOM 0 HG21 THR A 27 -7.394 -10.023 3.657 1.00 0.00 H new ATOM 0 HG22 THR A 27 -7.653 -8.320 3.209 1.00 0.00 H new ATOM 0 HG23 THR A 27 -7.997 -9.611 2.034 1.00 0.00 H new ATOM 403 N CYS A 28 -4.323 -6.515 2.124 1.00 0.00 N ATOM 404 CA CYS A 28 -3.075 -5.780 2.290 1.00 0.00 C ATOM 405 C CYS A 28 -1.944 -6.717 2.705 1.00 0.00 C ATOM 406 O CYS A 28 -2.185 -7.823 3.186 1.00 0.00 O ATOM 407 CB CYS A 28 -3.245 -4.675 3.334 1.00 0.00 C ATOM 408 SG CYS A 28 -1.890 -3.458 3.356 1.00 0.00 S ATOM 0 H CYS A 28 -5.084 -6.195 2.723 1.00 0.00 H new ATOM 0 HA CYS A 28 -2.817 -5.329 1.332 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -4.184 -4.154 3.146 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -3.325 -5.131 4.321 1.00 0.00 H new ATOM 413 N ALA A 29 -0.709 -6.264 2.515 1.00 0.00 N ATOM 414 CA ALA A 29 0.460 -7.059 2.871 1.00 0.00 C ATOM 415 C ALA A 29 1.108 -6.540 4.150 1.00 0.00 C ATOM 416 O ALA A 29 2.117 -7.077 4.608 1.00 0.00 O ATOM 417 CB ALA A 29 1.466 -7.059 1.730 1.00 0.00 C ATOM 0 H ALA A 29 -0.492 -5.350 2.116 1.00 0.00 H new ATOM 0 HA ALA A 29 0.131 -8.083 3.051 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.334 -7.656 2.010 1.00 0.00 H new ATOM 0 HB2 ALA A 29 1.005 -7.484 0.838 1.00 0.00 H new ATOM 0 HB3 ALA A 29 1.781 -6.036 1.523 1.00 0.00 H new ATOM 423 N ARG A 30 0.523 -5.493 4.722 1.00 0.00 N ATOM 424 CA ARG A 30 1.045 -4.900 5.947 1.00 0.00 C ATOM 425 C ARG A 30 -0.020 -4.884 7.040 1.00 0.00 C ATOM 426 O ARG A 30 0.288 -5.024 8.224 1.00 0.00 O ATOM 427 CB ARG A 30 1.540 -3.477 5.681 1.00 0.00 C ATOM 428 CG ARG A 30 2.428 -3.361 4.453 1.00 0.00 C ATOM 429 CD ARG A 30 3.870 -3.722 4.772 1.00 0.00 C ATOM 430 NE ARG A 30 4.094 -5.165 4.736 1.00 0.00 N ATOM 431 CZ ARG A 30 4.371 -5.838 3.625 1.00 0.00 C ATOM 432 NH1 ARG A 30 4.457 -5.202 2.465 1.00 0.00 N ATOM 433 NH2 ARG A 30 4.562 -7.150 3.673 1.00 0.00 N ATOM 0 H ARG A 30 -0.313 -5.038 4.356 1.00 0.00 H new ATOM 0 HA ARG A 30 1.882 -5.510 6.288 1.00 0.00 H new ATOM 0 HB2 ARG A 30 0.680 -2.819 5.560 1.00 0.00 H new ATOM 0 HB3 ARG A 30 2.092 -3.124 6.552 1.00 0.00 H new ATOM 0 HG2 ARG A 30 2.053 -4.017 3.668 1.00 0.00 H new ATOM 0 HG3 ARG A 30 2.384 -2.343 4.066 1.00 0.00 H new ATOM 0 HD2 ARG A 30 4.532 -3.234 4.057 1.00 0.00 H new ATOM 0 HD3 ARG A 30 4.130 -3.339 5.759 1.00 0.00 H new ATOM 0 HE ARG A 30 4.034 -5.684 5.612 1.00 0.00 H new ATOM 0 HH11 ARG A 30 4.310 -4.193 2.424 1.00 0.00 H new ATOM 0 HH12 ARG A 30 4.670 -5.721 1.613 1.00 0.00 H new ATOM 0 HH21 ARG A 30 4.496 -7.643 4.564 1.00 0.00 H new ATOM 0 HH22 ARG A 30 4.775 -7.666 2.819 1.00 0.00 H new ATOM 447 N CYS A 31 -1.274 -4.712 6.634 1.00 0.00 N ATOM 448 CA CYS A 31 -2.385 -4.676 7.577 1.00 0.00 C ATOM 449 C CYS A 31 -3.374 -5.802 7.295 1.00 0.00 C ATOM 450 O CYS A 31 -4.288 -6.050 8.081 1.00 0.00 O ATOM 451 CB CYS A 31 -3.099 -3.325 7.505 1.00 0.00 C ATOM 452 SG CYS A 31 -3.948 -3.016 5.924 1.00 0.00 S ATOM 0 H CYS A 31 -1.546 -4.595 5.658 1.00 0.00 H new ATOM 0 HA CYS A 31 -1.982 -4.813 8.580 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -3.828 -3.268 8.314 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -2.371 -2.532 7.675 1.00 0.00 H new ATOM 457 N GLN A 32 -3.184 -6.481 6.168 1.00 0.00 N ATOM 458 CA GLN A 32 -4.061 -7.580 5.782 1.00 0.00 C ATOM 459 C GLN A 32 -5.520 -7.138 5.780 1.00 0.00 C ATOM 460 O GLN A 32 -6.414 -7.916 6.111 1.00 0.00 O ATOM 461 CB GLN A 32 -3.876 -8.765 6.731 1.00 0.00 C ATOM 462 CG GLN A 32 -2.472 -9.348 6.711 1.00 0.00 C ATOM 463 CD GLN A 32 -1.517 -8.604 7.623 1.00 0.00 C ATOM 464 OE1 GLN A 32 -1.345 -8.965 8.788 1.00 0.00 O ATOM 465 NE2 GLN A 32 -0.890 -7.558 7.098 1.00 0.00 N ATOM 0 H GLN A 32 -2.431 -6.289 5.507 1.00 0.00 H new ATOM 0 HA GLN A 32 -3.793 -7.887 4.771 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -4.114 -8.447 7.746 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -4.589 -9.546 6.466 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -2.513 -10.395 7.011 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -2.087 -9.324 5.691 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -1.062 -7.294 6.128 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -0.236 -7.018 7.665 1.00 0.00 H new ATOM 474 N GLU A 33 -5.753 -5.884 5.405 1.00 0.00 N ATOM 475 CA GLU A 33 -7.105 -5.340 5.361 1.00 0.00 C ATOM 476 C GLU A 33 -7.887 -5.916 4.185 1.00 0.00 C ATOM 477 O GLU A 33 -7.316 -6.551 3.298 1.00 0.00 O ATOM 478 CB GLU A 33 -7.061 -3.814 5.259 1.00 0.00 C ATOM 479 CG GLU A 33 -6.932 -3.117 6.604 1.00 0.00 C ATOM 480 CD GLU A 33 -8.259 -2.994 7.326 1.00 0.00 C ATOM 481 OE1 GLU A 33 -9.071 -2.131 6.931 1.00 0.00 O ATOM 482 OE2 GLU A 33 -8.486 -3.759 8.287 1.00 0.00 O ATOM 0 H GLU A 33 -5.024 -5.227 5.128 1.00 0.00 H new ATOM 0 HA GLU A 33 -7.612 -5.622 6.284 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -6.221 -3.525 4.627 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -7.967 -3.465 4.764 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -6.232 -3.670 7.230 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -6.510 -2.123 6.455 1.00 0.00 H new ATOM 489 N SER A 34 -9.197 -5.692 4.185 1.00 0.00 N ATOM 490 CA SER A 34 -10.059 -6.192 3.120 1.00 0.00 C ATOM 491 C SER A 34 -10.075 -5.230 1.937 1.00 0.00 C ATOM 492 O SER A 34 -10.798 -4.233 1.942 1.00 0.00 O ATOM 493 CB SER A 34 -11.481 -6.400 3.642 1.00 0.00 C ATOM 494 OG SER A 34 -11.476 -7.115 4.866 1.00 0.00 O ATOM 0 H SER A 34 -9.685 -5.167 4.911 1.00 0.00 H new ATOM 0 HA SER A 34 -9.660 -7.148 2.782 1.00 0.00 H new ATOM 0 HB2 SER A 34 -11.965 -5.434 3.784 1.00 0.00 H new ATOM 0 HB3 SER A 34 -12.067 -6.944 2.902 1.00 0.00 H new ATOM 0 HG SER A 34 -12.397 -7.233 5.179 1.00 0.00 H new ATOM 500 N LEU A 35 -9.272 -5.535 0.923 1.00 0.00 N ATOM 501 CA LEU A 35 -9.192 -4.698 -0.269 1.00 0.00 C ATOM 502 C LEU A 35 -10.317 -5.031 -1.244 1.00 0.00 C ATOM 503 O LEU A 35 -10.144 -4.948 -2.459 1.00 0.00 O ATOM 504 CB LEU A 35 -7.837 -4.880 -0.955 1.00 0.00 C ATOM 505 CG LEU A 35 -6.607 -4.737 -0.059 1.00 0.00 C ATOM 506 CD1 LEU A 35 -5.407 -5.430 -0.685 1.00 0.00 C ATOM 507 CD2 LEU A 35 -6.302 -3.268 0.198 1.00 0.00 C ATOM 0 H LEU A 35 -8.667 -6.356 0.903 1.00 0.00 H new ATOM 0 HA LEU A 35 -9.299 -3.658 0.040 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -7.814 -5.868 -1.414 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -7.760 -4.152 -1.762 1.00 0.00 H new ATOM 0 HG LEU A 35 -6.820 -5.216 0.897 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -4.541 -5.318 -0.033 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -5.627 -6.489 -0.817 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.192 -4.980 -1.654 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -5.423 -3.185 0.838 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -6.110 -2.765 -0.750 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -7.154 -2.800 0.690 1.00 0.00 H new ATOM 519 N GLY A 36 -11.472 -5.405 -0.702 1.00 0.00 N ATOM 520 CA GLY A 36 -12.610 -5.742 -1.537 1.00 0.00 C ATOM 521 C GLY A 36 -12.850 -4.719 -2.630 1.00 0.00 C ATOM 522 O GLY A 36 -12.646 -5.002 -3.810 1.00 0.00 O ATOM 0 H GLY A 36 -11.640 -5.481 0.301 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -12.448 -6.721 -1.989 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -13.502 -5.821 -0.916 1.00 0.00 H new ATOM 526 N ARG A 37 -13.286 -3.527 -2.236 1.00 0.00 N ATOM 527 CA ARG A 37 -13.557 -2.459 -3.192 1.00 0.00 C ATOM 528 C ARG A 37 -12.290 -2.072 -3.949 1.00 0.00 C ATOM 529 O ARG A 37 -12.298 -1.953 -5.175 1.00 0.00 O ATOM 530 CB ARG A 37 -14.128 -1.236 -2.473 1.00 0.00 C ATOM 531 CG ARG A 37 -14.463 -0.083 -3.405 1.00 0.00 C ATOM 532 CD ARG A 37 -13.279 0.856 -3.577 1.00 0.00 C ATOM 533 NE ARG A 37 -13.505 1.833 -4.639 1.00 0.00 N ATOM 534 CZ ARG A 37 -12.529 2.498 -5.247 1.00 0.00 C ATOM 535 NH1 ARG A 37 -11.266 2.291 -4.900 1.00 0.00 N ATOM 536 NH2 ARG A 37 -12.815 3.371 -6.204 1.00 0.00 N ATOM 0 H ARG A 37 -13.459 -3.276 -1.263 1.00 0.00 H new ATOM 0 HA ARG A 37 -14.290 -2.826 -3.910 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -15.029 -1.530 -1.934 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -13.409 -0.894 -1.729 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -14.762 -0.475 -4.377 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -15.314 0.471 -3.009 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -13.091 1.378 -2.639 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -12.385 0.275 -3.803 1.00 0.00 H new ATOM 0 HE ARG A 37 -14.466 2.015 -4.930 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -11.042 1.620 -4.165 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -10.518 2.803 -5.368 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -13.785 3.532 -6.474 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -12.065 3.881 -6.670 1.00 0.00 H new ATOM 550 N LEU A 38 -11.203 -1.877 -3.211 1.00 0.00 N ATOM 551 CA LEU A 38 -9.927 -1.502 -3.812 1.00 0.00 C ATOM 552 C LEU A 38 -9.517 -2.504 -4.887 1.00 0.00 C ATOM 553 O LEU A 38 -10.218 -3.485 -5.136 1.00 0.00 O ATOM 554 CB LEU A 38 -8.841 -1.416 -2.738 1.00 0.00 C ATOM 555 CG LEU A 38 -8.864 -0.165 -1.859 1.00 0.00 C ATOM 556 CD1 LEU A 38 -7.902 -0.316 -0.691 1.00 0.00 C ATOM 557 CD2 LEU A 38 -8.521 1.070 -2.679 1.00 0.00 C ATOM 0 H LEU A 38 -11.179 -1.972 -2.196 1.00 0.00 H new ATOM 0 HA LEU A 38 -10.046 -0.524 -4.279 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -8.926 -2.291 -2.093 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -7.869 -1.474 -3.227 1.00 0.00 H new ATOM 0 HG LEU A 38 -9.871 -0.043 -1.460 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -7.932 0.584 -0.076 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -8.193 -1.177 -0.089 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -6.891 -0.464 -1.069 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -8.542 1.951 -2.037 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -7.525 0.957 -3.107 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -9.250 1.188 -3.481 1.00 0.00 H new ATOM 569 N SER A 39 -8.376 -2.251 -5.520 1.00 0.00 N ATOM 570 CA SER A 39 -7.873 -3.130 -6.569 1.00 0.00 C ATOM 571 C SER A 39 -6.348 -3.185 -6.547 1.00 0.00 C ATOM 572 O SER A 39 -5.668 -2.175 -6.367 1.00 0.00 O ATOM 573 CB SER A 39 -8.358 -2.652 -7.939 1.00 0.00 C ATOM 574 OG SER A 39 -8.505 -3.739 -8.836 1.00 0.00 O ATOM 0 H SER A 39 -7.783 -1.445 -5.325 1.00 0.00 H new ATOM 0 HA SER A 39 -8.258 -4.133 -6.385 1.00 0.00 H new ATOM 0 HB2 SER A 39 -9.311 -2.135 -7.831 1.00 0.00 H new ATOM 0 HB3 SER A 39 -7.649 -1.932 -8.348 1.00 0.00 H new ATOM 0 HG SER A 39 -7.628 -3.985 -9.198 1.00 0.00 H new ATOM 580 N PRO A 40 -5.798 -4.393 -6.735 1.00 0.00 N ATOM 581 CA PRO A 40 -4.348 -4.610 -6.742 1.00 0.00 C ATOM 582 C PRO A 40 -3.677 -4.005 -7.970 1.00 0.00 C ATOM 583 O PRO A 40 -2.471 -3.760 -7.974 1.00 0.00 O ATOM 584 CB PRO A 40 -4.218 -6.136 -6.759 1.00 0.00 C ATOM 585 CG PRO A 40 -5.485 -6.617 -7.377 1.00 0.00 C ATOM 586 CD PRO A 40 -6.549 -5.641 -6.957 1.00 0.00 C ATOM 0 HA PRO A 40 -3.861 -4.136 -5.890 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -3.350 -6.453 -7.337 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -4.093 -6.534 -5.752 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -5.399 -6.657 -8.463 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -5.725 -7.625 -7.039 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -7.310 -5.520 -7.728 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -7.060 -5.969 -6.052 1.00 0.00 H new ATOM 594 N LYS A 41 -4.466 -3.766 -9.012 1.00 0.00 N ATOM 595 CA LYS A 41 -3.950 -3.187 -10.247 1.00 0.00 C ATOM 596 C LYS A 41 -2.889 -2.132 -9.951 1.00 0.00 C ATOM 597 O LYS A 41 -1.715 -2.306 -10.281 1.00 0.00 O ATOM 598 CB LYS A 41 -5.089 -2.567 -11.060 1.00 0.00 C ATOM 599 CG LYS A 41 -4.632 -1.474 -12.011 1.00 0.00 C ATOM 600 CD LYS A 41 -3.594 -1.988 -12.994 1.00 0.00 C ATOM 601 CE LYS A 41 -3.665 -1.245 -14.319 1.00 0.00 C ATOM 602 NZ LYS A 41 -4.693 -1.826 -15.227 1.00 0.00 N ATOM 0 H LYS A 41 -5.466 -3.965 -9.026 1.00 0.00 H new ATOM 0 HA LYS A 41 -3.491 -3.986 -10.829 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -5.585 -3.351 -11.632 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -5.830 -2.155 -10.375 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -5.490 -1.084 -12.558 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -4.214 -0.645 -11.440 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -2.598 -1.875 -12.565 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -3.749 -3.053 -13.164 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -3.895 -0.196 -14.135 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -2.690 -1.277 -14.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -4.710 -1.292 -16.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -4.460 -2.820 -15.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -5.627 -1.772 -14.773 1.00 0.00 H new ATOM 616 N THR A 42 -3.309 -1.036 -9.326 1.00 0.00 N ATOM 617 CA THR A 42 -2.395 0.047 -8.985 1.00 0.00 C ATOM 618 C THR A 42 -1.982 -0.023 -7.520 1.00 0.00 C ATOM 619 O THR A 42 -1.038 0.645 -7.099 1.00 0.00 O ATOM 620 CB THR A 42 -3.028 1.424 -9.263 1.00 0.00 C ATOM 621 OG1 THR A 42 -2.228 2.458 -8.678 1.00 0.00 O ATOM 622 CG2 THR A 42 -4.442 1.492 -8.705 1.00 0.00 C ATOM 0 H THR A 42 -4.276 -0.875 -9.046 1.00 0.00 H new ATOM 0 HA THR A 42 -1.513 -0.073 -9.614 1.00 0.00 H new ATOM 0 HB THR A 42 -3.073 1.568 -10.343 1.00 0.00 H new ATOM 0 HG1 THR A 42 -1.439 2.061 -8.253 1.00 0.00 H new ATOM 0 HG21 THR A 42 -4.869 2.473 -8.913 1.00 0.00 H new ATOM 0 HG22 THR A 42 -5.056 0.723 -9.174 1.00 0.00 H new ATOM 0 HG23 THR A 42 -4.416 1.329 -7.628 1.00 0.00 H new ATOM 630 N ASN A 43 -2.694 -0.836 -6.747 1.00 0.00 N ATOM 631 CA ASN A 43 -2.400 -0.993 -5.327 1.00 0.00 C ATOM 632 C ASN A 43 -1.261 -1.986 -5.114 1.00 0.00 C ATOM 633 O ASN A 43 -1.298 -2.804 -4.194 1.00 0.00 O ATOM 634 CB ASN A 43 -3.647 -1.463 -4.575 1.00 0.00 C ATOM 635 CG ASN A 43 -4.792 -0.474 -4.681 1.00 0.00 C ATOM 636 OD1 ASN A 43 -4.703 0.522 -5.399 1.00 0.00 O ATOM 637 ND2 ASN A 43 -5.876 -0.745 -3.963 1.00 0.00 N ATOM 0 H ASN A 43 -3.479 -1.396 -7.080 1.00 0.00 H new ATOM 0 HA ASN A 43 -2.092 -0.023 -4.936 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -3.965 -2.427 -4.971 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -3.399 -1.616 -3.525 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -6.678 -0.116 -3.993 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -5.906 -1.582 -3.381 1.00 0.00 H new ATOM 644 N THR A 44 -0.247 -1.908 -5.971 1.00 0.00 N ATOM 645 CA THR A 44 0.903 -2.799 -5.878 1.00 0.00 C ATOM 646 C THR A 44 2.174 -2.023 -5.550 1.00 0.00 C ATOM 647 O THR A 44 2.587 -1.142 -6.304 1.00 0.00 O ATOM 648 CB THR A 44 1.115 -3.581 -7.188 1.00 0.00 C ATOM 649 OG1 THR A 44 -0.056 -4.344 -7.498 1.00 0.00 O ATOM 650 CG2 THR A 44 2.316 -4.508 -7.076 1.00 0.00 C ATOM 0 H THR A 44 -0.199 -1.237 -6.737 1.00 0.00 H new ATOM 0 HA THR A 44 0.693 -3.504 -5.073 1.00 0.00 H new ATOM 0 HB THR A 44 1.303 -2.864 -7.987 1.00 0.00 H new ATOM 0 HG1 THR A 44 -0.773 -3.741 -7.786 1.00 0.00 H new ATOM 0 HG21 THR A 44 2.446 -5.050 -8.013 1.00 0.00 H new ATOM 0 HG22 THR A 44 3.211 -3.921 -6.869 1.00 0.00 H new ATOM 0 HG23 THR A 44 2.153 -5.219 -6.266 1.00 0.00 H new ATOM 658 N CYS A 45 2.790 -2.357 -4.422 1.00 0.00 N ATOM 659 CA CYS A 45 4.015 -1.692 -3.994 1.00 0.00 C ATOM 660 C CYS A 45 5.169 -2.018 -4.938 1.00 0.00 C ATOM 661 O CYS A 45 5.623 -3.160 -5.009 1.00 0.00 O ATOM 662 CB CYS A 45 4.376 -2.111 -2.567 1.00 0.00 C ATOM 663 SG CYS A 45 6.062 -1.644 -2.058 1.00 0.00 S ATOM 0 H CYS A 45 2.461 -3.084 -3.787 1.00 0.00 H new ATOM 0 HA CYS A 45 3.842 -0.616 -4.017 1.00 0.00 H new ATOM 0 HB2 CYS A 45 3.662 -1.662 -1.876 1.00 0.00 H new ATOM 0 HB3 CYS A 45 4.268 -3.192 -2.479 1.00 0.00 H new ATOM 668 N ARG A 46 5.638 -1.006 -5.661 1.00 0.00 N ATOM 669 CA ARG A 46 6.738 -1.184 -6.601 1.00 0.00 C ATOM 670 C ARG A 46 7.994 -1.670 -5.884 1.00 0.00 C ATOM 671 O ARG A 46 8.901 -2.222 -6.504 1.00 0.00 O ATOM 672 CB ARG A 46 7.030 0.129 -7.331 1.00 0.00 C ATOM 673 CG ARG A 46 5.782 0.846 -7.818 1.00 0.00 C ATOM 674 CD ARG A 46 6.087 1.754 -8.999 1.00 0.00 C ATOM 675 NE ARG A 46 6.330 0.996 -10.223 1.00 0.00 N ATOM 676 CZ ARG A 46 6.087 1.469 -11.441 1.00 0.00 C ATOM 677 NH1 ARG A 46 5.597 2.691 -11.596 1.00 0.00 N ATOM 678 NH2 ARG A 46 6.335 0.718 -12.507 1.00 0.00 N ATOM 0 H ARG A 46 5.273 -0.055 -5.614 1.00 0.00 H new ATOM 0 HA ARG A 46 6.442 -1.939 -7.329 1.00 0.00 H new ATOM 0 HB2 ARG A 46 7.582 0.791 -6.664 1.00 0.00 H new ATOM 0 HB3 ARG A 46 7.677 -0.076 -8.184 1.00 0.00 H new ATOM 0 HG2 ARG A 46 5.029 0.113 -8.106 1.00 0.00 H new ATOM 0 HG3 ARG A 46 5.358 1.435 -7.004 1.00 0.00 H new ATOM 0 HD2 ARG A 46 5.253 2.438 -9.156 1.00 0.00 H new ATOM 0 HD3 ARG A 46 6.961 2.364 -8.771 1.00 0.00 H new ATOM 0 HE ARG A 46 6.707 0.052 -10.139 1.00 0.00 H new ATOM 0 HH11 ARG A 46 5.405 3.271 -10.779 1.00 0.00 H new ATOM 0 HH12 ARG A 46 5.412 3.051 -12.532 1.00 0.00 H new ATOM 0 HH21 ARG A 46 6.712 -0.223 -12.392 1.00 0.00 H new ATOM 0 HH22 ARG A 46 6.148 1.082 -13.442 1.00 0.00 H new ATOM 692 N GLY A 47 8.038 -1.461 -4.571 1.00 0.00 N ATOM 693 CA GLY A 47 9.187 -1.883 -3.791 1.00 0.00 C ATOM 694 C GLY A 47 9.315 -3.391 -3.718 1.00 0.00 C ATOM 695 O GLY A 47 10.300 -3.962 -4.187 1.00 0.00 O ATOM 0 H GLY A 47 7.299 -1.007 -4.034 1.00 0.00 H new ATOM 0 HA2 GLY A 47 10.093 -1.465 -4.229 1.00 0.00 H new ATOM 0 HA3 GLY A 47 9.106 -1.479 -2.782 1.00 0.00 H new ATOM 699 N CYS A 48 8.318 -4.040 -3.126 1.00 0.00 N ATOM 700 CA CYS A 48 8.323 -5.492 -2.990 1.00 0.00 C ATOM 701 C CYS A 48 7.273 -6.127 -3.897 1.00 0.00 C ATOM 702 O CYS A 48 6.952 -7.307 -3.761 1.00 0.00 O ATOM 703 CB CYS A 48 8.064 -5.890 -1.535 1.00 0.00 C ATOM 704 SG CYS A 48 6.581 -5.123 -0.807 1.00 0.00 S ATOM 0 H CYS A 48 7.495 -3.583 -2.732 1.00 0.00 H new ATOM 0 HA CYS A 48 9.305 -5.857 -3.290 1.00 0.00 H new ATOM 0 HB2 CYS A 48 7.964 -6.974 -1.478 1.00 0.00 H new ATOM 0 HB3 CYS A 48 8.932 -5.618 -0.935 1.00 0.00 H new ATOM 709 N ASN A 49 6.742 -5.335 -4.823 1.00 0.00 N ATOM 710 CA ASN A 49 5.728 -5.819 -5.752 1.00 0.00 C ATOM 711 C ASN A 49 4.647 -6.605 -5.017 1.00 0.00 C ATOM 712 O ASN A 49 4.213 -7.663 -5.474 1.00 0.00 O ATOM 713 CB ASN A 49 6.370 -6.697 -6.828 1.00 0.00 C ATOM 714 CG ASN A 49 7.275 -5.908 -7.755 1.00 0.00 C ATOM 715 OD1 ASN A 49 8.426 -5.626 -7.424 1.00 0.00 O ATOM 716 ND2 ASN A 49 6.756 -5.548 -8.923 1.00 0.00 N ATOM 0 H ASN A 49 6.997 -4.356 -4.950 1.00 0.00 H new ATOM 0 HA ASN A 49 5.264 -4.954 -6.227 1.00 0.00 H new ATOM 0 HB2 ASN A 49 6.946 -7.489 -6.350 1.00 0.00 H new ATOM 0 HB3 ASN A 49 5.588 -7.180 -7.413 1.00 0.00 H new ATOM 0 HD21 ASN A 49 7.317 -5.015 -9.588 1.00 0.00 H new ATOM 0 HD22 ASN A 49 5.796 -5.804 -9.155 1.00 0.00 H new ATOM 723 N HIS A 50 4.214 -6.080 -3.875 1.00 0.00 N ATOM 724 CA HIS A 50 3.182 -6.731 -3.076 1.00 0.00 C ATOM 725 C HIS A 50 1.865 -5.966 -3.162 1.00 0.00 C ATOM 726 O HIS A 50 1.791 -4.903 -3.780 1.00 0.00 O ATOM 727 CB HIS A 50 3.629 -6.840 -1.618 1.00 0.00 C ATOM 728 CG HIS A 50 4.479 -8.041 -1.340 1.00 0.00 C ATOM 729 ND1 HIS A 50 4.299 -9.253 -1.972 1.00 0.00 N ATOM 730 CD2 HIS A 50 5.521 -8.211 -0.493 1.00 0.00 C ATOM 731 CE1 HIS A 50 5.192 -10.118 -1.525 1.00 0.00 C ATOM 732 NE2 HIS A 50 5.946 -9.510 -0.627 1.00 0.00 N ATOM 0 H HIS A 50 4.562 -5.205 -3.482 1.00 0.00 H new ATOM 0 HA HIS A 50 3.026 -7.733 -3.475 1.00 0.00 H new ATOM 0 HB2 HIS A 50 4.185 -5.942 -1.349 1.00 0.00 H new ATOM 0 HB3 HIS A 50 2.747 -6.873 -0.978 1.00 0.00 H new ATOM 0 HD2 HIS A 50 5.940 -7.464 0.165 1.00 0.00 H new ATOM 0 HE1 HIS A 50 5.289 -11.146 -1.840 1.00 0.00 H new ATOM 0 HE2 HIS A 50 6.719 -9.936 -0.116 1.00 0.00 H new ATOM 740 N LEU A 51 0.827 -6.513 -2.538 1.00 0.00 N ATOM 741 CA LEU A 51 -0.488 -5.882 -2.544 1.00 0.00 C ATOM 742 C LEU A 51 -0.760 -5.176 -1.219 1.00 0.00 C ATOM 743 O LEU A 51 -0.830 -5.813 -0.168 1.00 0.00 O ATOM 744 CB LEU A 51 -1.575 -6.925 -2.812 1.00 0.00 C ATOM 745 CG LEU A 51 -3.007 -6.500 -2.486 1.00 0.00 C ATOM 746 CD1 LEU A 51 -3.443 -5.356 -3.388 1.00 0.00 C ATOM 747 CD2 LEU A 51 -3.957 -7.681 -2.623 1.00 0.00 C ATOM 0 H LEU A 51 0.871 -7.392 -2.022 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.503 -5.138 -3.340 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.531 -7.204 -3.865 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.342 -7.820 -2.235 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.037 -6.152 -1.453 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -4.465 -5.067 -3.141 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.779 -4.504 -3.241 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.398 -5.676 -4.429 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -4.972 -7.361 -2.387 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -3.924 -8.058 -3.645 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.657 -8.471 -1.935 1.00 0.00 H new ATOM 759 N VAL A 52 -0.914 -3.857 -1.277 1.00 0.00 N ATOM 760 CA VAL A 52 -1.181 -3.065 -0.083 1.00 0.00 C ATOM 761 C VAL A 52 -2.285 -2.045 -0.336 1.00 0.00 C ATOM 762 O VAL A 52 -2.625 -1.752 -1.483 1.00 0.00 O ATOM 763 CB VAL A 52 0.083 -2.329 0.397 1.00 0.00 C ATOM 764 CG1 VAL A 52 0.892 -3.212 1.336 1.00 0.00 C ATOM 765 CG2 VAL A 52 0.926 -1.888 -0.790 1.00 0.00 C ATOM 0 H VAL A 52 -0.858 -3.314 -2.139 1.00 0.00 H new ATOM 0 HA VAL A 52 -1.503 -3.760 0.692 1.00 0.00 H new ATOM 0 HB VAL A 52 -0.223 -1.439 0.947 1.00 0.00 H new ATOM 0 HG11 VAL A 52 1.782 -2.675 1.665 1.00 0.00 H new ATOM 0 HG12 VAL A 52 0.285 -3.473 2.203 1.00 0.00 H new ATOM 0 HG13 VAL A 52 1.190 -4.121 0.814 1.00 0.00 H new ATOM 0 HG21 VAL A 52 1.815 -1.369 -0.432 1.00 0.00 H new ATOM 0 HG22 VAL A 52 1.224 -2.762 -1.369 1.00 0.00 H new ATOM 0 HG23 VAL A 52 0.343 -1.216 -1.420 1.00 0.00 H new ATOM 775 N CYS A 53 -2.842 -1.504 0.743 1.00 0.00 N ATOM 776 CA CYS A 53 -3.909 -0.515 0.639 1.00 0.00 C ATOM 777 C CYS A 53 -3.339 0.870 0.349 1.00 0.00 C ATOM 778 O CYS A 53 -2.123 1.052 0.287 1.00 0.00 O ATOM 779 CB CYS A 53 -4.728 -0.482 1.930 1.00 0.00 C ATOM 780 SG CYS A 53 -3.790 0.067 3.393 1.00 0.00 S ATOM 0 H CYS A 53 -2.572 -1.734 1.699 1.00 0.00 H new ATOM 0 HA CYS A 53 -4.558 -0.802 -0.188 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -5.582 0.181 1.789 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -5.127 -1.479 2.120 1.00 0.00 H new ATOM 785 N ARG A 54 -4.226 1.844 0.173 1.00 0.00 N ATOM 786 CA ARG A 54 -3.813 3.212 -0.112 1.00 0.00 C ATOM 787 C ARG A 54 -3.452 3.950 1.174 1.00 0.00 C ATOM 788 O ARG A 54 -3.359 5.177 1.193 1.00 0.00 O ATOM 789 CB ARG A 54 -4.925 3.962 -0.848 1.00 0.00 C ATOM 790 CG ARG A 54 -5.292 3.344 -2.187 1.00 0.00 C ATOM 791 CD ARG A 54 -6.504 4.027 -2.801 1.00 0.00 C ATOM 792 NE ARG A 54 -7.654 4.016 -1.900 1.00 0.00 N ATOM 793 CZ ARG A 54 -8.823 4.575 -2.194 1.00 0.00 C ATOM 794 NH1 ARG A 54 -8.996 5.185 -3.358 1.00 0.00 N ATOM 795 NH2 ARG A 54 -9.821 4.524 -1.321 1.00 0.00 N ATOM 0 H ARG A 54 -5.236 1.710 0.223 1.00 0.00 H new ATOM 0 HA ARG A 54 -2.929 3.172 -0.749 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -5.812 3.992 -0.215 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -4.612 4.994 -1.007 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -4.445 3.421 -2.869 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -5.499 2.282 -2.055 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -6.251 5.057 -3.053 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -6.769 3.527 -3.733 1.00 0.00 H new ATOM 0 HE ARG A 54 -7.554 3.554 -0.996 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -8.231 5.226 -4.031 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -9.895 5.613 -3.581 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -9.691 4.056 -0.424 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -10.718 4.953 -1.547 1.00 0.00 H new ATOM 809 N ASP A 55 -3.252 3.193 2.248 1.00 0.00 N ATOM 810 CA ASP A 55 -2.902 3.775 3.539 1.00 0.00 C ATOM 811 C ASP A 55 -1.505 3.339 3.969 1.00 0.00 C ATOM 812 O ASP A 55 -0.765 4.108 4.584 1.00 0.00 O ATOM 813 CB ASP A 55 -3.926 3.369 4.599 1.00 0.00 C ATOM 814 CG ASP A 55 -5.022 4.402 4.771 1.00 0.00 C ATOM 815 OD1 ASP A 55 -4.698 5.562 5.102 1.00 0.00 O ATOM 816 OD2 ASP A 55 -6.204 4.051 4.574 1.00 0.00 O ATOM 0 H ASP A 55 -3.326 2.176 2.250 1.00 0.00 H new ATOM 0 HA ASP A 55 -2.909 4.860 3.436 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -4.372 2.413 4.322 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -3.418 3.220 5.552 1.00 0.00 H new ATOM 821 N CYS A 56 -1.150 2.101 3.644 1.00 0.00 N ATOM 822 CA CYS A 56 0.157 1.561 3.998 1.00 0.00 C ATOM 823 C CYS A 56 1.220 2.010 2.999 1.00 0.00 C ATOM 824 O CYS A 56 2.416 1.824 3.224 1.00 0.00 O ATOM 825 CB CYS A 56 0.104 0.033 4.051 1.00 0.00 C ATOM 826 SG CYS A 56 -0.763 -0.630 5.510 1.00 0.00 S ATOM 0 H CYS A 56 -1.750 1.452 3.135 1.00 0.00 H new ATOM 0 HA CYS A 56 0.425 1.943 4.983 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -0.389 -0.334 3.151 1.00 0.00 H new ATOM 0 HB3 CYS A 56 1.122 -0.356 4.039 1.00 0.00 H new ATOM 831 N ARG A 57 0.774 2.601 1.895 1.00 0.00 N ATOM 832 CA ARG A 57 1.685 3.075 0.861 1.00 0.00 C ATOM 833 C ARG A 57 2.156 4.495 1.160 1.00 0.00 C ATOM 834 O ARG A 57 1.484 5.246 1.868 1.00 0.00 O ATOM 835 CB ARG A 57 1.005 3.030 -0.509 1.00 0.00 C ATOM 836 CG ARG A 57 -0.277 3.844 -0.578 1.00 0.00 C ATOM 837 CD ARG A 57 -0.848 3.864 -1.988 1.00 0.00 C ATOM 838 NE ARG A 57 0.010 4.598 -2.915 1.00 0.00 N ATOM 839 CZ ARG A 57 -0.032 5.917 -3.067 1.00 0.00 C ATOM 840 NH1 ARG A 57 -0.885 6.643 -2.358 1.00 0.00 N ATOM 841 NH2 ARG A 57 0.781 6.512 -3.931 1.00 0.00 N ATOM 0 H ARG A 57 -0.213 2.763 1.694 1.00 0.00 H new ATOM 0 HA ARG A 57 2.554 2.417 0.849 1.00 0.00 H new ATOM 0 HB2 ARG A 57 1.701 3.398 -1.263 1.00 0.00 H new ATOM 0 HB3 ARG A 57 0.781 1.993 -0.761 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -1.013 3.425 0.108 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -0.080 4.864 -0.249 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -0.974 2.841 -2.343 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -1.838 4.320 -1.972 1.00 0.00 H new ATOM 0 HE ARG A 57 0.678 4.069 -3.476 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -1.512 6.189 -1.693 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -0.915 7.656 -2.477 1.00 0.00 H new ATOM 0 HH21 ARG A 57 1.438 5.956 -4.479 1.00 0.00 H new ATOM 0 HH22 ARG A 57 0.749 7.525 -4.048 1.00 0.00 H new ATOM 855 N ILE A 58 3.315 4.855 0.618 1.00 0.00 N ATOM 856 CA ILE A 58 3.874 6.185 0.827 1.00 0.00 C ATOM 857 C ILE A 58 4.228 6.847 -0.500 1.00 0.00 C ATOM 858 O ILE A 58 4.924 6.263 -1.330 1.00 0.00 O ATOM 859 CB ILE A 58 5.133 6.133 1.713 1.00 0.00 C ATOM 860 CG1 ILE A 58 4.764 5.713 3.138 1.00 0.00 C ATOM 861 CG2 ILE A 58 5.834 7.483 1.718 1.00 0.00 C ATOM 862 CD1 ILE A 58 4.653 4.215 3.317 1.00 0.00 C ATOM 0 H ILE A 58 3.884 4.245 0.032 1.00 0.00 H new ATOM 0 HA ILE A 58 3.108 6.774 1.331 1.00 0.00 H new ATOM 0 HB ILE A 58 5.818 5.392 1.302 1.00 0.00 H new ATOM 0 HG12 ILE A 58 5.515 6.098 3.828 1.00 0.00 H new ATOM 0 HG13 ILE A 58 3.815 6.175 3.410 1.00 0.00 H new ATOM 0 HG21 ILE A 58 6.722 7.430 2.348 1.00 0.00 H new ATOM 0 HG22 ILE A 58 6.126 7.745 0.701 1.00 0.00 H new ATOM 0 HG23 ILE A 58 5.157 8.243 2.108 1.00 0.00 H new ATOM 0 HD11 ILE A 58 4.389 3.991 4.350 1.00 0.00 H new ATOM 0 HD12 ILE A 58 3.882 3.825 2.653 1.00 0.00 H new ATOM 0 HD13 ILE A 58 5.608 3.748 3.077 1.00 0.00 H new ATOM 874 N GLN A 59 3.745 8.071 -0.691 1.00 0.00 N ATOM 875 CA GLN A 59 4.011 8.813 -1.918 1.00 0.00 C ATOM 876 C GLN A 59 5.442 9.339 -1.936 1.00 0.00 C ATOM 877 O GLN A 59 5.814 10.182 -1.121 1.00 0.00 O ATOM 878 CB GLN A 59 3.026 9.976 -2.059 1.00 0.00 C ATOM 879 CG GLN A 59 1.763 9.614 -2.824 1.00 0.00 C ATOM 880 CD GLN A 59 2.022 9.377 -4.298 1.00 0.00 C ATOM 881 OE1 GLN A 59 3.171 9.284 -4.732 1.00 0.00 O ATOM 882 NE2 GLN A 59 0.952 9.276 -5.079 1.00 0.00 N ATOM 0 H GLN A 59 3.168 8.569 -0.013 1.00 0.00 H new ATOM 0 HA GLN A 59 3.882 8.133 -2.760 1.00 0.00 H new ATOM 0 HB2 GLN A 59 2.750 10.330 -1.066 1.00 0.00 H new ATOM 0 HB3 GLN A 59 3.523 10.803 -2.566 1.00 0.00 H new ATOM 0 HG2 GLN A 59 1.323 8.717 -2.388 1.00 0.00 H new ATOM 0 HG3 GLN A 59 1.032 10.415 -2.712 1.00 0.00 H new ATOM 0 HE21 GLN A 59 0.018 9.359 -4.678 1.00 0.00 H new ATOM 0 HE22 GLN A 59 1.065 9.115 -6.080 1.00 0.00 H new ATOM 891 N GLU A 60 6.241 8.833 -2.871 1.00 0.00 N ATOM 892 CA GLU A 60 7.632 9.252 -2.994 1.00 0.00 C ATOM 893 C GLU A 60 7.772 10.387 -4.004 1.00 0.00 C ATOM 894 O GLU A 60 6.825 10.718 -4.717 1.00 0.00 O ATOM 895 CB GLU A 60 8.509 8.069 -3.414 1.00 0.00 C ATOM 896 CG GLU A 60 8.833 7.118 -2.274 1.00 0.00 C ATOM 897 CD GLU A 60 10.063 7.540 -1.495 1.00 0.00 C ATOM 898 OE1 GLU A 60 10.966 8.157 -2.097 1.00 0.00 O ATOM 899 OE2 GLU A 60 10.123 7.252 -0.280 1.00 0.00 O ATOM 0 H GLU A 60 5.949 8.133 -3.553 1.00 0.00 H new ATOM 0 HA GLU A 60 7.963 9.613 -2.020 1.00 0.00 H new ATOM 0 HB2 GLU A 60 8.004 7.516 -4.205 1.00 0.00 H new ATOM 0 HB3 GLU A 60 9.440 8.449 -3.835 1.00 0.00 H new ATOM 0 HG2 GLU A 60 7.980 7.064 -1.598 1.00 0.00 H new ATOM 0 HG3 GLU A 60 8.987 6.116 -2.674 1.00 0.00 H new ATOM 906 N SER A 61 8.961 10.979 -4.059 1.00 0.00 N ATOM 907 CA SER A 61 9.225 12.079 -4.979 1.00 0.00 C ATOM 908 C SER A 61 9.466 11.560 -6.393 1.00 0.00 C ATOM 909 O SER A 61 9.249 12.272 -7.372 1.00 0.00 O ATOM 910 CB SER A 61 10.435 12.888 -4.506 1.00 0.00 C ATOM 911 OG SER A 61 10.914 13.736 -5.535 1.00 0.00 O ATOM 0 H SER A 61 9.756 10.715 -3.477 1.00 0.00 H new ATOM 0 HA SER A 61 8.348 12.726 -4.994 1.00 0.00 H new ATOM 0 HB2 SER A 61 10.160 13.485 -3.637 1.00 0.00 H new ATOM 0 HB3 SER A 61 11.228 12.211 -4.190 1.00 0.00 H new ATOM 0 HG SER A 61 11.686 14.243 -5.208 1.00 0.00 H new ATOM 917 N ASN A 62 9.916 10.314 -6.490 1.00 0.00 N ATOM 918 CA ASN A 62 10.188 9.698 -7.783 1.00 0.00 C ATOM 919 C ASN A 62 8.913 9.118 -8.389 1.00 0.00 C ATOM 920 O ASN A 62 8.899 7.983 -8.863 1.00 0.00 O ATOM 921 CB ASN A 62 11.242 8.598 -7.637 1.00 0.00 C ATOM 922 CG ASN A 62 11.630 7.987 -8.969 1.00 0.00 C ATOM 923 OD1 ASN A 62 11.581 6.770 -9.145 1.00 0.00 O ATOM 924 ND2 ASN A 62 12.019 8.833 -9.917 1.00 0.00 N ATOM 0 H ASN A 62 10.100 9.711 -5.688 1.00 0.00 H new ATOM 0 HA ASN A 62 10.569 10.470 -8.451 1.00 0.00 H new ATOM 0 HB2 ASN A 62 12.130 9.011 -7.158 1.00 0.00 H new ATOM 0 HB3 ASN A 62 10.859 7.817 -6.980 1.00 0.00 H new ATOM 0 HD21 ASN A 62 12.292 8.481 -10.834 1.00 0.00 H new ATOM 0 HD22 ASN A 62 12.044 9.835 -9.727 1.00 0.00 H new ATOM 931 N GLY A 63 7.844 9.908 -8.370 1.00 0.00 N ATOM 932 CA GLY A 63 6.579 9.456 -8.920 1.00 0.00 C ATOM 933 C GLY A 63 6.286 8.007 -8.587 1.00 0.00 C ATOM 934 O GLY A 63 5.555 7.330 -9.312 1.00 0.00 O ATOM 0 H GLY A 63 7.831 10.852 -7.984 1.00 0.00 H new ATOM 0 HA2 GLY A 63 5.775 10.083 -8.536 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.592 9.581 -10.003 1.00 0.00 H new ATOM 938 N THR A 64 6.859 7.526 -7.488 1.00 0.00 N ATOM 939 CA THR A 64 6.658 6.147 -7.062 1.00 0.00 C ATOM 940 C THR A 64 6.107 6.084 -5.642 1.00 0.00 C ATOM 941 O THR A 64 5.979 7.108 -4.970 1.00 0.00 O ATOM 942 CB THR A 64 7.969 5.342 -7.128 1.00 0.00 C ATOM 943 OG1 THR A 64 9.001 6.027 -6.409 1.00 0.00 O ATOM 944 CG2 THR A 64 8.404 5.132 -8.570 1.00 0.00 C ATOM 0 H THR A 64 7.466 8.072 -6.877 1.00 0.00 H new ATOM 0 HA THR A 64 5.935 5.707 -7.749 1.00 0.00 H new ATOM 0 HB THR A 64 7.794 4.367 -6.672 1.00 0.00 H new ATOM 0 HG1 THR A 64 9.831 5.508 -6.454 1.00 0.00 H new ATOM 0 HG21 THR A 64 9.332 4.561 -8.591 1.00 0.00 H new ATOM 0 HG22 THR A 64 7.630 4.585 -9.108 1.00 0.00 H new ATOM 0 HG23 THR A 64 8.562 6.099 -9.047 1.00 0.00 H new ATOM 952 N TRP A 65 5.784 4.878 -5.190 1.00 0.00 N ATOM 953 CA TRP A 65 5.247 4.683 -3.848 1.00 0.00 C ATOM 954 C TRP A 65 5.582 3.290 -3.325 1.00 0.00 C ATOM 955 O TRP A 65 5.706 2.340 -4.099 1.00 0.00 O ATOM 956 CB TRP A 65 3.732 4.891 -3.847 1.00 0.00 C ATOM 957 CG TRP A 65 2.979 3.776 -4.507 1.00 0.00 C ATOM 958 CD1 TRP A 65 2.493 3.758 -5.783 1.00 0.00 C ATOM 959 CD2 TRP A 65 2.624 2.518 -3.923 1.00 0.00 C ATOM 960 NE1 TRP A 65 1.857 2.565 -6.028 1.00 0.00 N ATOM 961 CE2 TRP A 65 1.925 1.786 -4.902 1.00 0.00 C ATOM 962 CE3 TRP A 65 2.831 1.938 -2.669 1.00 0.00 C ATOM 963 CZ2 TRP A 65 1.432 0.506 -4.664 1.00 0.00 C ATOM 964 CZ3 TRP A 65 2.341 0.668 -2.433 1.00 0.00 C ATOM 965 CH2 TRP A 65 1.648 -0.037 -3.427 1.00 0.00 C ATOM 0 H TRP A 65 5.884 4.020 -5.733 1.00 0.00 H new ATOM 0 HA TRP A 65 5.708 5.419 -3.189 1.00 0.00 H new ATOM 0 HB2 TRP A 65 3.387 4.993 -2.818 1.00 0.00 H new ATOM 0 HB3 TRP A 65 3.501 5.827 -4.355 1.00 0.00 H new ATOM 0 HD1 TRP A 65 2.594 4.564 -6.495 1.00 0.00 H new ATOM 0 HE1 TRP A 65 1.407 2.302 -6.905 1.00 0.00 H new ATOM 0 HE3 TRP A 65 3.365 2.473 -1.898 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 0.898 -0.039 -5.429 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 2.494 0.211 -1.467 1.00 0.00 H new ATOM 0 HH2 TRP A 65 1.277 -1.028 -3.212 1.00 0.00 H new ATOM 976 N ARG A 66 5.726 3.176 -2.009 1.00 0.00 N ATOM 977 CA ARG A 66 6.047 1.898 -1.384 1.00 0.00 C ATOM 978 C ARG A 66 5.264 1.716 -0.088 1.00 0.00 C ATOM 979 O ARG A 66 4.684 2.665 0.439 1.00 0.00 O ATOM 980 CB ARG A 66 7.548 1.807 -1.103 1.00 0.00 C ATOM 981 CG ARG A 66 8.359 1.297 -2.283 1.00 0.00 C ATOM 982 CD ARG A 66 9.848 1.521 -2.074 1.00 0.00 C ATOM 983 NE ARG A 66 10.557 1.704 -3.338 1.00 0.00 N ATOM 984 CZ ARG A 66 10.650 2.870 -3.967 1.00 0.00 C ATOM 985 NH1 ARG A 66 10.082 3.952 -3.451 1.00 0.00 N ATOM 986 NH2 ARG A 66 11.312 2.956 -5.113 1.00 0.00 N ATOM 0 H ARG A 66 5.626 3.952 -1.355 1.00 0.00 H new ATOM 0 HA ARG A 66 5.765 1.103 -2.074 1.00 0.00 H new ATOM 0 HB2 ARG A 66 7.916 2.793 -0.819 1.00 0.00 H new ATOM 0 HB3 ARG A 66 7.710 1.148 -0.250 1.00 0.00 H new ATOM 0 HG2 ARG A 66 8.166 0.234 -2.426 1.00 0.00 H new ATOM 0 HG3 ARG A 66 8.038 1.804 -3.193 1.00 0.00 H new ATOM 0 HD2 ARG A 66 9.998 2.398 -1.444 1.00 0.00 H new ATOM 0 HD3 ARG A 66 10.271 0.670 -1.541 1.00 0.00 H new ATOM 0 HE ARG A 66 11.005 0.891 -3.761 1.00 0.00 H new ATOM 0 HH11 ARG A 66 9.573 3.889 -2.570 1.00 0.00 H new ATOM 0 HH12 ARG A 66 10.155 4.847 -3.936 1.00 0.00 H new ATOM 0 HH21 ARG A 66 11.750 2.126 -5.512 1.00 0.00 H new ATOM 0 HH22 ARG A 66 11.383 3.852 -5.595 1.00 0.00 H new ATOM 1000 N CYS A 67 5.251 0.488 0.422 1.00 0.00 N ATOM 1001 CA CYS A 67 4.538 0.179 1.655 1.00 0.00 C ATOM 1002 C CYS A 67 5.277 0.742 2.866 1.00 0.00 C ATOM 1003 O CYS A 67 6.453 1.099 2.780 1.00 0.00 O ATOM 1004 CB CYS A 67 4.369 -1.334 1.806 1.00 0.00 C ATOM 1005 SG CYS A 67 5.938 -2.259 1.831 1.00 0.00 S ATOM 0 H CYS A 67 5.727 -0.309 -0.001 1.00 0.00 H new ATOM 0 HA CYS A 67 3.554 0.644 1.602 1.00 0.00 H new ATOM 0 HB2 CYS A 67 3.825 -1.538 2.728 1.00 0.00 H new ATOM 0 HB3 CYS A 67 3.755 -1.704 0.985 1.00 0.00 H new ATOM 1010 N LYS A 68 4.580 0.819 3.995 1.00 0.00 N ATOM 1011 CA LYS A 68 5.169 1.337 5.224 1.00 0.00 C ATOM 1012 C LYS A 68 6.580 0.794 5.422 1.00 0.00 C ATOM 1013 O LYS A 68 7.528 1.556 5.616 1.00 0.00 O ATOM 1014 CB LYS A 68 4.296 0.969 6.426 1.00 0.00 C ATOM 1015 CG LYS A 68 2.867 1.473 6.317 1.00 0.00 C ATOM 1016 CD LYS A 68 2.791 2.979 6.509 1.00 0.00 C ATOM 1017 CE LYS A 68 1.490 3.390 7.181 1.00 0.00 C ATOM 1018 NZ LYS A 68 1.520 3.138 8.648 1.00 0.00 N ATOM 0 H LYS A 68 3.606 0.529 4.084 1.00 0.00 H new ATOM 0 HA LYS A 68 5.225 2.422 5.142 1.00 0.00 H new ATOM 0 HB2 LYS A 68 4.283 -0.115 6.536 1.00 0.00 H new ATOM 0 HB3 LYS A 68 4.748 1.376 7.331 1.00 0.00 H new ATOM 0 HG2 LYS A 68 2.460 1.209 5.341 1.00 0.00 H new ATOM 0 HG3 LYS A 68 2.248 0.978 7.065 1.00 0.00 H new ATOM 0 HD2 LYS A 68 3.635 3.313 7.113 1.00 0.00 H new ATOM 0 HD3 LYS A 68 2.875 3.475 5.542 1.00 0.00 H new ATOM 0 HE2 LYS A 68 1.305 4.449 6.998 1.00 0.00 H new ATOM 0 HE3 LYS A 68 0.661 2.840 6.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 0.615 3.431 9.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 1.671 2.124 8.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 2.295 3.682 9.078 1.00 0.00 H new ATOM 1032 N VAL A 69 6.714 -0.528 5.371 1.00 0.00 N ATOM 1033 CA VAL A 69 8.010 -1.172 5.543 1.00 0.00 C ATOM 1034 C VAL A 69 9.016 -0.666 4.514 1.00 0.00 C ATOM 1035 O VAL A 69 10.068 -0.134 4.869 1.00 0.00 O ATOM 1036 CB VAL A 69 7.896 -2.703 5.422 1.00 0.00 C ATOM 1037 CG1 VAL A 69 9.266 -3.353 5.545 1.00 0.00 C ATOM 1038 CG2 VAL A 69 6.941 -3.250 6.473 1.00 0.00 C ATOM 0 H VAL A 69 5.940 -1.173 5.212 1.00 0.00 H new ATOM 0 HA VAL A 69 8.359 -0.919 6.544 1.00 0.00 H new ATOM 0 HB VAL A 69 7.494 -2.943 4.438 1.00 0.00 H new ATOM 0 HG11 VAL A 69 9.165 -4.435 5.457 1.00 0.00 H new ATOM 0 HG12 VAL A 69 9.916 -2.984 4.752 1.00 0.00 H new ATOM 0 HG13 VAL A 69 9.700 -3.107 6.514 1.00 0.00 H new ATOM 0 HG21 VAL A 69 6.872 -4.333 6.373 1.00 0.00 H new ATOM 0 HG22 VAL A 69 7.312 -3.000 7.467 1.00 0.00 H new ATOM 0 HG23 VAL A 69 5.954 -2.809 6.332 1.00 0.00 H new ATOM 1048 N CYS A 70 8.685 -0.835 3.239 1.00 0.00 N ATOM 1049 CA CYS A 70 9.558 -0.396 2.157 1.00 0.00 C ATOM 1050 C CYS A 70 9.911 1.081 2.309 1.00 0.00 C ATOM 1051 O CYS A 70 11.072 1.434 2.516 1.00 0.00 O ATOM 1052 CB CYS A 70 8.887 -0.635 0.803 1.00 0.00 C ATOM 1053 SG CYS A 70 9.076 -2.333 0.169 1.00 0.00 S ATOM 0 H CYS A 70 7.818 -1.273 2.929 1.00 0.00 H new ATOM 0 HA CYS A 70 10.478 -0.979 2.206 1.00 0.00 H new ATOM 0 HB2 CYS A 70 7.825 -0.407 0.891 1.00 0.00 H new ATOM 0 HB3 CYS A 70 9.303 0.062 0.075 1.00 0.00 H new ATOM 1058 N SER A 71 8.902 1.939 2.204 1.00 0.00 N ATOM 1059 CA SER A 71 9.105 3.377 2.326 1.00 0.00 C ATOM 1060 C SER A 71 10.151 3.690 3.392 1.00 0.00 C ATOM 1061 O SER A 71 11.106 4.425 3.144 1.00 0.00 O ATOM 1062 CB SER A 71 7.787 4.073 2.669 1.00 0.00 C ATOM 1063 OG SER A 71 7.672 4.289 4.065 1.00 0.00 O ATOM 0 H SER A 71 7.935 1.663 2.035 1.00 0.00 H new ATOM 0 HA SER A 71 9.465 3.750 1.367 1.00 0.00 H new ATOM 0 HB2 SER A 71 7.729 5.027 2.144 1.00 0.00 H new ATOM 0 HB3 SER A 71 6.951 3.466 2.322 1.00 0.00 H new ATOM 0 HG SER A 71 7.590 5.249 4.242 1.00 0.00 H new ATOM 1069 N GLY A 72 9.962 3.125 4.581 1.00 0.00 N ATOM 1070 CA GLY A 72 10.895 3.354 5.668 1.00 0.00 C ATOM 1071 C GLY A 72 12.045 2.366 5.663 1.00 0.00 C ATOM 1072 O GLY A 72 12.568 1.995 4.612 1.00 0.00 O ATOM 0 H GLY A 72 9.179 2.513 4.810 1.00 0.00 H new ATOM 0 HA2 GLY A 72 11.290 4.367 5.596 1.00 0.00 H new ATOM 0 HA3 GLY A 72 10.365 3.285 6.618 1.00 0.00 H new ATOM 1076 N PRO A 73 12.457 1.926 6.861 1.00 0.00 N ATOM 1077 CA PRO A 73 13.557 0.970 7.018 1.00 0.00 C ATOM 1078 C PRO A 73 13.189 -0.424 6.523 1.00 0.00 C ATOM 1079 O PRO A 73 12.100 -0.925 6.803 1.00 0.00 O ATOM 1080 CB PRO A 73 13.801 0.954 8.529 1.00 0.00 C ATOM 1081 CG PRO A 73 12.498 1.360 9.127 1.00 0.00 C ATOM 1082 CD PRO A 73 11.880 2.327 8.155 1.00 0.00 C ATOM 0 HA PRO A 73 14.432 1.257 6.434 1.00 0.00 H new ATOM 0 HB2 PRO A 73 14.102 -0.036 8.871 1.00 0.00 H new ATOM 0 HB3 PRO A 73 14.597 1.644 8.809 1.00 0.00 H new ATOM 0 HG2 PRO A 73 11.853 0.495 9.281 1.00 0.00 H new ATOM 0 HG3 PRO A 73 12.644 1.826 10.102 1.00 0.00 H new ATOM 0 HD2 PRO A 73 10.793 2.252 8.150 1.00 0.00 H new ATOM 0 HD3 PRO A 73 12.128 3.359 8.403 1.00 0.00 H new ATOM 1090 N SER A 74 14.104 -1.046 5.786 1.00 0.00 N ATOM 1091 CA SER A 74 13.873 -2.382 5.249 1.00 0.00 C ATOM 1092 C SER A 74 15.045 -3.306 5.568 1.00 0.00 C ATOM 1093 O SER A 74 14.853 -4.459 5.953 1.00 0.00 O ATOM 1094 CB SER A 74 13.659 -2.316 3.735 1.00 0.00 C ATOM 1095 OG SER A 74 13.361 -3.597 3.206 1.00 0.00 O ATOM 0 H SER A 74 15.012 -0.646 5.547 1.00 0.00 H new ATOM 0 HA SER A 74 12.976 -2.785 5.719 1.00 0.00 H new ATOM 0 HB2 SER A 74 12.845 -1.627 3.509 1.00 0.00 H new ATOM 0 HB3 SER A 74 14.554 -1.920 3.255 1.00 0.00 H new ATOM 0 HG SER A 74 13.227 -3.528 2.238 1.00 0.00 H new ATOM 1101 N SER A 75 16.259 -2.789 5.405 1.00 0.00 N ATOM 1102 CA SER A 75 17.463 -3.567 5.672 1.00 0.00 C ATOM 1103 C SER A 75 18.090 -3.158 7.001 1.00 0.00 C ATOM 1104 O SER A 75 19.310 -3.040 7.114 1.00 0.00 O ATOM 1105 CB SER A 75 18.475 -3.385 4.539 1.00 0.00 C ATOM 1106 OG SER A 75 18.996 -2.067 4.528 1.00 0.00 O ATOM 0 H SER A 75 16.435 -1.835 5.089 1.00 0.00 H new ATOM 0 HA SER A 75 17.181 -4.618 5.732 1.00 0.00 H new ATOM 0 HB2 SER A 75 19.289 -4.100 4.656 1.00 0.00 H new ATOM 0 HB3 SER A 75 17.998 -3.599 3.583 1.00 0.00 H new ATOM 0 HG SER A 75 19.642 -1.977 3.796 1.00 0.00 H new ATOM 1112 N GLY A 76 17.246 -2.944 8.006 1.00 0.00 N ATOM 1113 CA GLY A 76 17.736 -2.550 9.314 1.00 0.00 C ATOM 1114 C GLY A 76 17.407 -3.570 10.387 1.00 0.00 C ATOM 1115 O GLY A 76 17.733 -3.341 11.551 1.00 0.00 O ATOM 0 H GLY A 76 16.232 -3.036 7.938 1.00 0.00 H new ATOM 0 HA2 GLY A 76 18.816 -2.411 9.268 1.00 0.00 H new ATOM 0 HA3 GLY A 76 17.303 -1.588 9.586 1.00 0.00 H new TER 1119 GLY A 76 HETATM 1120 ZN ZN A 201 -2.684 -1.622 4.550 1.00 0.00 ZN HETATM 1121 ZN ZN A 401 6.795 -2.882 -0.229 1.00 0.00 ZN