USER MOD reduce.3.24.130724 H: found=0, std=0, add=432, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 432 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 Set 1.1: A 23 ASN : amide:sc= -2.83! K(o=-2.2!,f=-4.6) USER MOD Set 1.2: A 47 THR OG1 : rot 69:sc= 0.662 USER MOD Set 2.1: A 45 LYS NZ :NH3+ 171:sc= 0.997 (180deg=-0.367) USER MOD Set 2.2: A 52 THR OG1 : rot 86:sc= -3.28! USER MOD Set 3.1: A 44 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 55 SER OG : rot -119:sc= -2.42! USER MOD Set 4.1: A 33 THR OG1 : rot 159:sc= 0.419 USER MOD Set 4.2: A 40 SER OG : rot 123:sc=-0.00429 USER MOD Set 4.3: A 41 THR OG1 : rot 180:sc= -0.314 USER MOD Set 5.1: A 2 SER OG : rot 180:sc= -1.29 USER MOD Set 5.2: A 3 HIS : no HE2:sc= -1.18 X(o=-2.5,f=-2.4) USER MOD Single : A 1 GLY N :NH3+ -174:sc= 0 (180deg=-0.0261) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=-0.097) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot -69:sc= 0.683 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 139:sc= -0.169 (180deg=-1.32!) USER MOD Single : A 25 THR OG1 : rot 94:sc= 0.172 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= -0.0111 X(o=-0.011,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HD1:sc= -1.63 X(o=-1.6,f=-1.8) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -1.744 8.894 -25.974 1.00 0.00 N ATOM 2 CA GLY A 1 -0.473 8.185 -26.293 1.00 0.00 C ATOM 3 C GLY A 1 0.663 8.769 -25.451 1.00 0.00 C ATOM 4 O GLY A 1 1.473 8.048 -24.903 1.00 0.00 O ATOM 0 H1 GLY A 1 -2.533 8.432 -26.469 1.00 0.00 H new ATOM 0 H2 GLY A 1 -1.912 8.861 -24.948 1.00 0.00 H new ATOM 0 H3 GLY A 1 -1.675 9.885 -26.282 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -0.578 7.119 -26.091 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -0.243 8.287 -27.354 1.00 0.00 H new ATOM 10 N SER A 2 0.726 10.067 -25.342 1.00 0.00 N ATOM 11 CA SER A 2 1.811 10.694 -24.533 1.00 0.00 C ATOM 12 C SER A 2 1.490 10.581 -23.040 1.00 0.00 C ATOM 13 O SER A 2 2.289 10.107 -22.257 1.00 0.00 O ATOM 14 CB SER A 2 1.837 12.159 -24.971 1.00 0.00 C ATOM 15 OG SER A 2 0.922 12.902 -24.176 1.00 0.00 O ATOM 0 H SER A 2 0.075 10.721 -25.777 1.00 0.00 H new ATOM 0 HA SER A 2 2.775 10.208 -24.686 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.843 12.565 -24.864 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.571 12.241 -26.025 1.00 0.00 H new ATOM 0 HG SER A 2 0.937 13.842 -24.453 1.00 0.00 H new ATOM 21 N HIS A 3 0.323 11.007 -22.639 1.00 0.00 N ATOM 22 CA HIS A 3 -0.047 10.920 -21.196 1.00 0.00 C ATOM 23 C HIS A 3 -1.483 10.409 -21.050 1.00 0.00 C ATOM 24 O HIS A 3 -2.124 10.611 -20.036 1.00 0.00 O ATOM 25 CB HIS A 3 0.077 12.349 -20.664 1.00 0.00 C ATOM 26 CG HIS A 3 -1.070 13.180 -21.170 1.00 0.00 C ATOM 27 ND1 HIS A 3 -2.266 13.290 -20.478 1.00 0.00 N ATOM 28 CD2 HIS A 3 -1.217 13.950 -22.298 1.00 0.00 C ATOM 29 CE1 HIS A 3 -3.073 14.097 -21.189 1.00 0.00 C ATOM 30 NE2 HIS A 3 -2.483 14.527 -22.308 1.00 0.00 N ATOM 0 H HIS A 3 -0.390 11.411 -23.247 1.00 0.00 H new ATOM 0 HA HIS A 3 0.592 10.229 -20.646 1.00 0.00 H new ATOM 0 HB2 HIS A 3 0.081 12.342 -19.574 1.00 0.00 H new ATOM 0 HB3 HIS A 3 1.023 12.785 -20.983 1.00 0.00 H new ATOM 0 HD1 HIS A 3 -2.493 12.841 -19.591 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -0.465 14.087 -23.061 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -4.076 14.365 -20.892 1.00 0.00 H new ATOM 38 N MET A 4 -1.995 9.749 -22.053 1.00 0.00 N ATOM 39 CA MET A 4 -3.390 9.228 -21.969 1.00 0.00 C ATOM 40 C MET A 4 -3.450 7.786 -22.479 1.00 0.00 C ATOM 41 O MET A 4 -3.872 7.528 -23.589 1.00 0.00 O ATOM 42 CB MET A 4 -4.213 10.149 -22.869 1.00 0.00 C ATOM 43 CG MET A 4 -5.685 10.081 -22.460 1.00 0.00 C ATOM 44 SD MET A 4 -6.684 11.022 -23.639 1.00 0.00 S ATOM 45 CE MET A 4 -7.872 11.689 -22.447 1.00 0.00 C ATOM 0 H MET A 4 -1.508 9.548 -22.927 1.00 0.00 H new ATOM 0 HA MET A 4 -3.764 9.218 -20.945 1.00 0.00 H new ATOM 0 HB2 MET A 4 -3.849 11.173 -22.789 1.00 0.00 H new ATOM 0 HB3 MET A 4 -4.100 9.852 -23.912 1.00 0.00 H new ATOM 0 HG2 MET A 4 -6.018 9.043 -22.432 1.00 0.00 H new ATOM 0 HG3 MET A 4 -5.813 10.484 -21.455 1.00 0.00 H new ATOM 0 HE1 MET A 4 -8.598 12.314 -22.967 1.00 0.00 H new ATOM 0 HE2 MET A 4 -8.390 10.868 -21.951 1.00 0.00 H new ATOM 0 HE3 MET A 4 -7.345 12.287 -21.704 1.00 0.00 H new ATOM 55 N GLU A 5 -3.033 6.845 -21.678 1.00 0.00 N ATOM 56 CA GLU A 5 -3.068 5.420 -22.117 1.00 0.00 C ATOM 57 C GLU A 5 -2.823 4.495 -20.923 1.00 0.00 C ATOM 58 O GLU A 5 -3.599 3.601 -20.648 1.00 0.00 O ATOM 59 CB GLU A 5 -1.937 5.293 -23.138 1.00 0.00 C ATOM 60 CG GLU A 5 -2.076 3.967 -23.889 1.00 0.00 C ATOM 61 CD GLU A 5 -0.788 3.678 -24.660 1.00 0.00 C ATOM 62 OE1 GLU A 5 0.273 3.977 -24.137 1.00 0.00 O ATOM 63 OE2 GLU A 5 -0.883 3.163 -25.762 1.00 0.00 O ATOM 0 H GLU A 5 -2.669 7.000 -20.738 1.00 0.00 H new ATOM 0 HA GLU A 5 -4.032 5.140 -22.542 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -1.971 6.126 -23.840 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -0.971 5.339 -22.635 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -2.280 3.159 -23.186 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -2.921 4.013 -24.576 1.00 0.00 H new ATOM 70 N GLN A 6 -1.751 4.703 -20.209 1.00 0.00 N ATOM 71 CA GLN A 6 -1.460 3.834 -19.032 1.00 0.00 C ATOM 72 C GLN A 6 -2.427 4.156 -17.889 1.00 0.00 C ATOM 73 O GLN A 6 -2.084 4.839 -16.946 1.00 0.00 O ATOM 74 CB GLN A 6 -0.024 4.174 -18.634 1.00 0.00 C ATOM 75 CG GLN A 6 0.948 3.271 -19.396 1.00 0.00 C ATOM 76 CD GLN A 6 2.317 3.303 -18.717 1.00 0.00 C ATOM 77 OE1 GLN A 6 2.442 2.958 -17.558 1.00 0.00 O ATOM 78 NE2 GLN A 6 3.358 3.708 -19.392 1.00 0.00 N ATOM 0 H GLN A 6 -1.065 5.436 -20.389 1.00 0.00 H new ATOM 0 HA GLN A 6 -1.578 2.774 -19.259 1.00 0.00 H new ATOM 0 HB2 GLN A 6 0.187 5.220 -18.855 1.00 0.00 H new ATOM 0 HB3 GLN A 6 0.107 4.042 -17.560 1.00 0.00 H new ATOM 0 HG2 GLN A 6 0.567 2.250 -19.422 1.00 0.00 H new ATOM 0 HG3 GLN A 6 1.036 3.605 -20.430 1.00 0.00 H new ATOM 0 HE21 GLN A 6 3.254 3.998 -20.364 1.00 0.00 H new ATOM 0 HE22 GLN A 6 4.275 3.735 -18.947 1.00 0.00 H new ATOM 87 N ASP A 7 -3.635 3.668 -17.968 1.00 0.00 N ATOM 88 CA ASP A 7 -4.624 3.946 -16.887 1.00 0.00 C ATOM 89 C ASP A 7 -4.268 3.155 -15.625 1.00 0.00 C ATOM 90 O ASP A 7 -3.282 2.445 -15.583 1.00 0.00 O ATOM 91 CB ASP A 7 -5.967 3.480 -17.453 1.00 0.00 C ATOM 92 CG ASP A 7 -6.696 4.668 -18.084 1.00 0.00 C ATOM 93 OD1 ASP A 7 -6.333 5.043 -19.187 1.00 0.00 O ATOM 94 OD2 ASP A 7 -7.604 5.183 -17.452 1.00 0.00 O ATOM 0 H ASP A 7 -3.980 3.089 -18.734 1.00 0.00 H new ATOM 0 HA ASP A 7 -4.643 4.999 -16.604 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -5.809 2.700 -18.198 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -6.576 3.045 -16.661 1.00 0.00 H new ATOM 99 N LEU A 8 -5.060 3.274 -14.595 1.00 0.00 N ATOM 100 CA LEU A 8 -4.765 2.531 -13.336 1.00 0.00 C ATOM 101 C LEU A 8 -5.990 1.722 -12.899 1.00 0.00 C ATOM 102 O LEU A 8 -6.408 1.783 -11.762 1.00 0.00 O ATOM 103 CB LEU A 8 -4.447 3.613 -12.304 1.00 0.00 C ATOM 104 CG LEU A 8 -3.231 4.417 -12.765 1.00 0.00 C ATOM 105 CD1 LEU A 8 -3.536 5.913 -12.653 1.00 0.00 C ATOM 106 CD2 LEU A 8 -2.031 4.073 -11.879 1.00 0.00 C ATOM 0 H LEU A 8 -5.899 3.854 -14.570 1.00 0.00 H new ATOM 0 HA LEU A 8 -3.943 1.825 -13.457 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -5.305 4.273 -12.177 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -4.249 3.158 -11.334 1.00 0.00 H new ATOM 0 HG LEU A 8 -3.002 4.171 -13.802 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -2.669 6.487 -12.982 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -4.393 6.158 -13.281 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -3.764 6.161 -11.616 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -1.162 4.645 -12.205 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -2.261 4.321 -10.843 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -1.814 3.008 -11.957 1.00 0.00 H new ATOM 118 N LYS A 9 -6.563 0.967 -13.801 1.00 0.00 N ATOM 119 CA LYS A 9 -7.768 0.144 -13.464 1.00 0.00 C ATOM 120 C LYS A 9 -8.675 0.866 -12.470 1.00 0.00 C ATOM 121 O LYS A 9 -9.369 0.247 -11.688 1.00 0.00 O ATOM 122 CB LYS A 9 -7.234 -1.142 -12.844 1.00 0.00 C ATOM 123 CG LYS A 9 -6.234 -0.821 -11.729 1.00 0.00 C ATOM 124 CD LYS A 9 -5.861 -2.111 -10.996 1.00 0.00 C ATOM 125 CE LYS A 9 -4.348 -2.323 -11.076 1.00 0.00 C ATOM 126 NZ LYS A 9 -4.181 -3.683 -11.659 1.00 0.00 N ATOM 0 H LYS A 9 -6.246 0.884 -14.767 1.00 0.00 H new ATOM 0 HA LYS A 9 -8.368 -0.047 -14.354 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -8.059 -1.730 -12.443 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -6.752 -1.750 -13.610 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -5.341 -0.357 -12.148 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -6.668 -0.105 -11.031 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -6.177 -2.054 -9.954 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -6.382 -2.959 -11.441 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -3.875 -1.565 -11.701 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -3.887 -2.257 -10.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -3.168 -3.902 -11.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -4.635 -4.384 -11.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -4.623 -3.714 -12.600 1.00 0.00 H new ATOM 140 N THR A 10 -8.680 2.161 -12.499 1.00 0.00 N ATOM 141 CA THR A 10 -9.548 2.926 -11.563 1.00 0.00 C ATOM 142 C THR A 10 -9.224 2.569 -10.108 1.00 0.00 C ATOM 143 O THR A 10 -8.759 1.486 -9.810 1.00 0.00 O ATOM 144 CB THR A 10 -10.990 2.520 -11.902 1.00 0.00 C ATOM 145 OG1 THR A 10 -11.338 1.360 -11.160 1.00 0.00 O ATOM 146 CG2 THR A 10 -11.123 2.226 -13.401 1.00 0.00 C ATOM 0 H THR A 10 -8.119 2.730 -13.133 1.00 0.00 H new ATOM 0 HA THR A 10 -9.395 4.000 -11.669 1.00 0.00 H new ATOM 0 HB THR A 10 -11.659 3.340 -11.643 1.00 0.00 H new ATOM 0 HG1 THR A 10 -10.829 0.593 -11.495 1.00 0.00 H new ATOM 0 HG21 THR A 10 -12.150 1.940 -13.626 1.00 0.00 H new ATOM 0 HG22 THR A 10 -10.862 3.117 -13.971 1.00 0.00 H new ATOM 0 HG23 THR A 10 -10.452 1.412 -13.673 1.00 0.00 H new ATOM 154 N LEU A 11 -9.476 3.475 -9.203 1.00 0.00 N ATOM 155 CA LEU A 11 -9.197 3.204 -7.762 1.00 0.00 C ATOM 156 C LEU A 11 -9.464 4.466 -6.930 1.00 0.00 C ATOM 157 O LEU A 11 -8.777 5.456 -7.087 1.00 0.00 O ATOM 158 CB LEU A 11 -7.716 2.835 -7.694 1.00 0.00 C ATOM 159 CG LEU A 11 -6.893 3.858 -8.475 1.00 0.00 C ATOM 160 CD1 LEU A 11 -5.876 4.508 -7.537 1.00 0.00 C ATOM 161 CD2 LEU A 11 -6.155 3.154 -9.614 1.00 0.00 C ATOM 0 H LEU A 11 -9.865 4.397 -9.400 1.00 0.00 H new ATOM 0 HA LEU A 11 -9.831 2.410 -7.367 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -7.386 2.805 -6.656 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -7.561 1.838 -8.106 1.00 0.00 H new ATOM 0 HG LEU A 11 -7.553 4.622 -8.887 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -5.286 5.239 -8.090 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -6.400 5.007 -6.722 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -5.216 3.742 -7.130 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -5.567 3.883 -10.172 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -5.493 2.392 -9.202 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -6.878 2.684 -10.281 1.00 0.00 H new ATOM 173 N PRO A 12 -10.450 4.402 -6.066 1.00 0.00 N ATOM 174 CA PRO A 12 -10.785 5.566 -5.213 1.00 0.00 C ATOM 175 C PRO A 12 -9.580 5.961 -4.357 1.00 0.00 C ATOM 176 O PRO A 12 -8.676 5.177 -4.143 1.00 0.00 O ATOM 177 CB PRO A 12 -11.934 5.034 -4.351 1.00 0.00 C ATOM 178 CG PRO A 12 -12.219 3.573 -4.751 1.00 0.00 C ATOM 179 CD PRO A 12 -11.272 3.181 -5.894 1.00 0.00 C ATOM 0 HA PRO A 12 -11.055 6.462 -5.772 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -11.672 5.092 -3.295 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -12.826 5.645 -4.492 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -12.073 2.912 -3.896 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -13.257 3.463 -5.066 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -10.662 2.315 -5.636 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -11.817 2.928 -6.803 1.00 0.00 H new ATOM 187 N THR A 13 -9.556 7.170 -3.868 1.00 0.00 N ATOM 188 CA THR A 13 -8.403 7.610 -3.032 1.00 0.00 C ATOM 189 C THR A 13 -8.752 7.517 -1.546 1.00 0.00 C ATOM 190 O THR A 13 -9.902 7.411 -1.170 1.00 0.00 O ATOM 191 CB THR A 13 -8.157 9.065 -3.428 1.00 0.00 C ATOM 192 OG1 THR A 13 -9.170 9.885 -2.862 1.00 0.00 O ATOM 193 CG2 THR A 13 -8.183 9.194 -4.950 1.00 0.00 C ATOM 0 H THR A 13 -10.283 7.871 -4.010 1.00 0.00 H new ATOM 0 HA THR A 13 -7.523 6.986 -3.191 1.00 0.00 H new ATOM 0 HB THR A 13 -7.182 9.383 -3.057 1.00 0.00 H new ATOM 0 HG1 THR A 13 -9.013 10.819 -3.113 1.00 0.00 H new ATOM 0 HG21 THR A 13 -8.007 10.233 -5.230 1.00 0.00 H new ATOM 0 HG22 THR A 13 -7.405 8.565 -5.382 1.00 0.00 H new ATOM 0 HG23 THR A 13 -9.156 8.876 -5.325 1.00 0.00 H new ATOM 201 N THR A 14 -7.761 7.565 -0.702 1.00 0.00 N ATOM 202 CA THR A 14 -8.018 7.490 0.762 1.00 0.00 C ATOM 203 C THR A 14 -7.317 8.652 1.464 1.00 0.00 C ATOM 204 O THR A 14 -6.353 9.199 0.964 1.00 0.00 O ATOM 205 CB THR A 14 -7.417 6.156 1.204 1.00 0.00 C ATOM 206 OG1 THR A 14 -7.704 5.941 2.578 1.00 0.00 O ATOM 207 CG2 THR A 14 -5.902 6.184 0.994 1.00 0.00 C ATOM 0 H THR A 14 -6.779 7.653 -0.964 1.00 0.00 H new ATOM 0 HA THR A 14 -9.079 7.554 1.005 1.00 0.00 H new ATOM 0 HB THR A 14 -7.848 5.348 0.613 1.00 0.00 H new ATOM 0 HG1 THR A 14 -7.321 5.085 2.862 1.00 0.00 H new ATOM 0 HG21 THR A 14 -5.473 5.233 1.309 1.00 0.00 H new ATOM 0 HG22 THR A 14 -5.684 6.348 -0.061 1.00 0.00 H new ATOM 0 HG23 THR A 14 -5.468 6.991 1.584 1.00 0.00 H new ATOM 215 N LYS A 15 -7.787 9.037 2.614 1.00 0.00 N ATOM 216 CA LYS A 15 -7.138 10.167 3.331 1.00 0.00 C ATOM 217 C LYS A 15 -5.883 9.679 4.052 1.00 0.00 C ATOM 218 O LYS A 15 -5.934 8.836 4.926 1.00 0.00 O ATOM 219 CB LYS A 15 -8.183 10.658 4.332 1.00 0.00 C ATOM 220 CG LYS A 15 -9.072 11.709 3.667 1.00 0.00 C ATOM 221 CD LYS A 15 -8.662 13.102 4.148 1.00 0.00 C ATOM 222 CE LYS A 15 -9.794 14.093 3.869 1.00 0.00 C ATOM 223 NZ LYS A 15 -9.273 14.973 2.785 1.00 0.00 N ATOM 0 H LYS A 15 -8.589 8.621 3.088 1.00 0.00 H new ATOM 0 HA LYS A 15 -6.825 10.962 2.654 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -8.789 9.822 4.681 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -7.692 11.083 5.207 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -8.980 11.645 2.583 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -10.118 11.522 3.910 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -8.440 13.079 5.215 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -7.752 13.421 3.639 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -10.703 13.578 3.557 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -10.044 14.669 4.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -9.993 15.681 2.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -8.412 15.455 3.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -9.050 14.398 1.948 1.00 0.00 H new ATOM 237 N ILE A 16 -4.756 10.210 3.683 1.00 0.00 N ATOM 238 CA ILE A 16 -3.478 9.800 4.321 1.00 0.00 C ATOM 239 C ILE A 16 -2.450 10.907 4.091 1.00 0.00 C ATOM 240 O ILE A 16 -2.748 11.905 3.473 1.00 0.00 O ATOM 241 CB ILE A 16 -3.085 8.500 3.607 1.00 0.00 C ATOM 242 CG1 ILE A 16 -2.100 7.712 4.473 1.00 0.00 C ATOM 243 CG2 ILE A 16 -2.433 8.818 2.259 1.00 0.00 C ATOM 244 CD1 ILE A 16 -2.245 6.216 4.173 1.00 0.00 C ATOM 0 H ILE A 16 -4.664 10.920 2.957 1.00 0.00 H new ATOM 0 HA ILE A 16 -3.549 9.642 5.397 1.00 0.00 H new ATOM 0 HB ILE A 16 -3.983 7.904 3.441 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -1.080 8.038 4.271 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -2.293 7.903 5.529 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -2.158 7.889 1.760 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -3.137 9.370 1.636 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -1.540 9.422 2.420 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -1.544 5.652 4.789 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -3.263 5.897 4.397 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.031 6.034 3.120 1.00 0.00 H new ATOM 256 N THR A 17 -1.251 10.764 4.571 1.00 0.00 N ATOM 257 CA THR A 17 -0.263 11.852 4.342 1.00 0.00 C ATOM 258 C THR A 17 0.897 11.368 3.475 1.00 0.00 C ATOM 259 O THR A 17 1.025 10.197 3.179 1.00 0.00 O ATOM 260 CB THR A 17 0.225 12.266 5.724 1.00 0.00 C ATOM 261 OG1 THR A 17 -0.685 11.796 6.710 1.00 0.00 O ATOM 262 CG2 THR A 17 0.303 13.790 5.774 1.00 0.00 C ATOM 0 H THR A 17 -0.915 9.960 5.101 1.00 0.00 H new ATOM 0 HA THR A 17 -0.712 12.690 3.809 1.00 0.00 H new ATOM 0 HB THR A 17 1.208 11.838 5.920 1.00 0.00 H new ATOM 0 HG1 THR A 17 -0.370 12.061 7.599 1.00 0.00 H new ATOM 0 HG21 THR A 17 0.651 14.104 6.758 1.00 0.00 H new ATOM 0 HG22 THR A 17 0.998 14.144 5.013 1.00 0.00 H new ATOM 0 HG23 THR A 17 -0.685 14.211 5.587 1.00 0.00 H new ATOM 270 N CYS A 18 1.727 12.278 3.047 1.00 0.00 N ATOM 271 CA CYS A 18 2.872 11.900 2.175 1.00 0.00 C ATOM 272 C CYS A 18 4.191 12.457 2.731 1.00 0.00 C ATOM 273 O CYS A 18 4.391 13.656 2.745 1.00 0.00 O ATOM 274 CB CYS A 18 2.539 12.561 0.845 1.00 0.00 C ATOM 275 SG CYS A 18 3.922 12.368 -0.303 1.00 0.00 S ATOM 0 H CYS A 18 1.660 13.272 3.265 1.00 0.00 H new ATOM 0 HA CYS A 18 3.005 10.821 2.099 1.00 0.00 H new ATOM 0 HB2 CYS A 18 1.639 12.114 0.422 1.00 0.00 H new ATOM 0 HB3 CYS A 18 2.327 13.619 0.998 1.00 0.00 H new ATOM 280 N PRO A 19 5.059 11.574 3.169 1.00 0.00 N ATOM 281 CA PRO A 19 6.370 11.998 3.720 1.00 0.00 C ATOM 282 C PRO A 19 7.253 12.621 2.630 1.00 0.00 C ATOM 283 O PRO A 19 8.344 13.083 2.898 1.00 0.00 O ATOM 284 CB PRO A 19 6.971 10.676 4.208 1.00 0.00 C ATOM 285 CG PRO A 19 5.979 9.537 3.906 1.00 0.00 C ATOM 286 CD PRO A 19 4.780 10.119 3.147 1.00 0.00 C ATOM 0 HA PRO A 19 6.284 12.756 4.499 1.00 0.00 H new ATOM 0 HB2 PRO A 19 7.923 10.488 3.712 1.00 0.00 H new ATOM 0 HB3 PRO A 19 7.174 10.726 5.278 1.00 0.00 H new ATOM 0 HG2 PRO A 19 6.463 8.762 3.311 1.00 0.00 H new ATOM 0 HG3 PRO A 19 5.648 9.068 4.833 1.00 0.00 H new ATOM 0 HD2 PRO A 19 4.718 9.733 2.129 1.00 0.00 H new ATOM 0 HD3 PRO A 19 3.836 9.880 3.636 1.00 0.00 H new ATOM 294 N LYS A 20 6.801 12.629 1.405 1.00 0.00 N ATOM 295 CA LYS A 20 7.631 13.213 0.311 1.00 0.00 C ATOM 296 C LYS A 20 7.342 14.709 0.146 1.00 0.00 C ATOM 297 O LYS A 20 8.196 15.542 0.376 1.00 0.00 O ATOM 298 CB LYS A 20 7.221 12.449 -0.948 1.00 0.00 C ATOM 299 CG LYS A 20 8.445 11.752 -1.546 1.00 0.00 C ATOM 300 CD LYS A 20 9.500 12.798 -1.912 1.00 0.00 C ATOM 301 CE LYS A 20 9.869 12.656 -3.390 1.00 0.00 C ATOM 302 NZ LYS A 20 8.596 12.889 -4.126 1.00 0.00 N ATOM 0 H LYS A 20 5.896 12.258 1.115 1.00 0.00 H new ATOM 0 HA LYS A 20 8.697 13.124 0.520 1.00 0.00 H new ATOM 0 HB2 LYS A 20 6.453 11.714 -0.706 1.00 0.00 H new ATOM 0 HB3 LYS A 20 6.788 13.134 -1.677 1.00 0.00 H new ATOM 0 HG2 LYS A 20 8.857 11.040 -0.831 1.00 0.00 H new ATOM 0 HG3 LYS A 20 8.157 11.185 -2.431 1.00 0.00 H new ATOM 0 HD2 LYS A 20 9.117 13.800 -1.717 1.00 0.00 H new ATOM 0 HD3 LYS A 20 10.386 12.669 -1.291 1.00 0.00 H new ATOM 0 HE2 LYS A 20 10.631 13.380 -3.679 1.00 0.00 H new ATOM 0 HE3 LYS A 20 10.273 11.666 -3.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 8.783 13.471 -4.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 8.192 11.976 -4.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 7.922 13.383 -3.507 1.00 0.00 H new ATOM 316 N CYS A 21 6.151 15.058 -0.259 1.00 0.00 N ATOM 317 CA CYS A 21 5.827 16.503 -0.444 1.00 0.00 C ATOM 318 C CYS A 21 4.999 17.026 0.735 1.00 0.00 C ATOM 319 O CYS A 21 4.952 18.212 0.992 1.00 0.00 O ATOM 320 CB CYS A 21 5.027 16.572 -1.747 1.00 0.00 C ATOM 321 SG CYS A 21 3.374 15.883 -1.493 1.00 0.00 S ATOM 0 H CYS A 21 5.392 14.410 -0.469 1.00 0.00 H new ATOM 0 HA CYS A 21 6.724 17.120 -0.488 1.00 0.00 H new ATOM 0 HB2 CYS A 21 4.952 17.606 -2.083 1.00 0.00 H new ATOM 0 HB3 CYS A 21 5.544 16.019 -2.531 1.00 0.00 H new ATOM 326 N GLY A 22 4.353 16.152 1.459 1.00 0.00 N ATOM 327 CA GLY A 22 3.540 16.609 2.622 1.00 0.00 C ATOM 328 C GLY A 22 2.064 16.693 2.228 1.00 0.00 C ATOM 329 O GLY A 22 1.286 17.388 2.850 1.00 0.00 O ATOM 0 H GLY A 22 4.353 15.145 1.296 1.00 0.00 H new ATOM 0 HA2 GLY A 22 3.663 15.918 3.456 1.00 0.00 H new ATOM 0 HA3 GLY A 22 3.891 17.584 2.961 1.00 0.00 H new ATOM 333 N ASN A 23 1.669 15.988 1.203 1.00 0.00 N ATOM 334 CA ASN A 23 0.241 16.030 0.780 1.00 0.00 C ATOM 335 C ASN A 23 -0.649 15.475 1.894 1.00 0.00 C ATOM 336 O ASN A 23 -0.170 14.959 2.885 1.00 0.00 O ATOM 337 CB ASN A 23 0.166 15.140 -0.461 1.00 0.00 C ATOM 338 CG ASN A 23 -1.217 15.270 -1.102 1.00 0.00 C ATOM 339 OD1 ASN A 23 -1.802 16.335 -1.100 1.00 0.00 O ATOM 340 ND2 ASN A 23 -1.769 14.223 -1.654 1.00 0.00 N ATOM 0 H ASN A 23 2.272 15.386 0.642 1.00 0.00 H new ATOM 0 HA ASN A 23 -0.100 17.044 0.571 1.00 0.00 H new ATOM 0 HB2 ASN A 23 0.938 15.428 -1.175 1.00 0.00 H new ATOM 0 HB3 ASN A 23 0.356 14.102 -0.189 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -2.691 14.299 -2.083 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -1.278 13.329 -1.656 1.00 0.00 H new ATOM 347 N ASP A 24 -1.940 15.578 1.745 1.00 0.00 N ATOM 348 CA ASP A 24 -2.852 15.056 2.802 1.00 0.00 C ATOM 349 C ASP A 24 -3.708 13.914 2.251 1.00 0.00 C ATOM 350 O ASP A 24 -4.650 13.470 2.881 1.00 0.00 O ATOM 351 CB ASP A 24 -3.730 16.245 3.191 1.00 0.00 C ATOM 352 CG ASP A 24 -4.440 16.787 1.948 1.00 0.00 C ATOM 353 OD1 ASP A 24 -5.331 16.112 1.459 1.00 0.00 O ATOM 354 OD2 ASP A 24 -4.081 17.866 1.508 1.00 0.00 O ATOM 0 H ASP A 24 -2.403 16.000 0.940 1.00 0.00 H new ATOM 0 HA ASP A 24 -2.305 14.656 3.656 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -4.464 15.940 3.937 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -3.121 17.027 3.644 1.00 0.00 H new ATOM 359 N THR A 25 -3.388 13.420 1.085 1.00 0.00 N ATOM 360 CA THR A 25 -4.193 12.299 0.520 1.00 0.00 C ATOM 361 C THR A 25 -3.366 11.465 -0.457 1.00 0.00 C ATOM 362 O THR A 25 -2.308 11.863 -0.901 1.00 0.00 O ATOM 363 CB THR A 25 -5.348 12.958 -0.225 1.00 0.00 C ATOM 364 OG1 THR A 25 -5.975 13.916 0.616 1.00 0.00 O ATOM 365 CG2 THR A 25 -6.356 11.887 -0.636 1.00 0.00 C ATOM 0 H THR A 25 -2.613 13.740 0.505 1.00 0.00 H new ATOM 0 HA THR A 25 -4.533 11.628 1.308 1.00 0.00 H new ATOM 0 HB THR A 25 -4.971 13.462 -1.115 1.00 0.00 H new ATOM 0 HG1 THR A 25 -5.582 14.799 0.455 1.00 0.00 H new ATOM 0 HG21 THR A 25 -7.185 12.353 -1.169 1.00 0.00 H new ATOM 0 HG22 THR A 25 -5.869 11.160 -1.286 1.00 0.00 H new ATOM 0 HG23 THR A 25 -6.735 11.383 0.253 1.00 0.00 H new ATOM 373 N ALA A 26 -3.858 10.308 -0.796 1.00 0.00 N ATOM 374 CA ALA A 26 -3.127 9.426 -1.754 1.00 0.00 C ATOM 375 C ALA A 26 -4.073 8.364 -2.326 1.00 0.00 C ATOM 376 O ALA A 26 -5.066 8.014 -1.717 1.00 0.00 O ATOM 377 CB ALA A 26 -2.029 8.766 -0.919 1.00 0.00 C ATOM 0 H ALA A 26 -4.740 9.931 -0.450 1.00 0.00 H new ATOM 0 HA ALA A 26 -2.723 9.981 -2.601 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -1.443 8.099 -1.551 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -1.378 9.534 -0.501 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -2.482 8.194 -0.109 1.00 0.00 H new ATOM 383 N TYR A 27 -3.760 7.821 -3.471 1.00 0.00 N ATOM 384 CA TYR A 27 -4.627 6.755 -4.047 1.00 0.00 C ATOM 385 C TYR A 27 -4.309 5.456 -3.314 1.00 0.00 C ATOM 386 O TYR A 27 -3.264 5.332 -2.709 1.00 0.00 O ATOM 387 CB TYR A 27 -4.227 6.655 -5.520 1.00 0.00 C ATOM 388 CG TYR A 27 -4.316 8.014 -6.170 1.00 0.00 C ATOM 389 CD1 TYR A 27 -5.558 8.524 -6.567 1.00 0.00 C ATOM 390 CD2 TYR A 27 -3.155 8.762 -6.384 1.00 0.00 C ATOM 391 CE1 TYR A 27 -5.635 9.783 -7.175 1.00 0.00 C ATOM 392 CE2 TYR A 27 -3.229 10.017 -6.991 1.00 0.00 C ATOM 393 CZ TYR A 27 -4.469 10.531 -7.389 1.00 0.00 C ATOM 394 OH TYR A 27 -4.543 11.771 -7.989 1.00 0.00 O ATOM 0 H TYR A 27 -2.944 8.069 -4.031 1.00 0.00 H new ATOM 0 HA TYR A 27 -5.693 6.959 -3.950 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -3.212 6.268 -5.605 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -4.880 5.952 -6.036 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -6.456 7.947 -6.404 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -2.197 8.368 -6.079 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -6.593 10.178 -7.479 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -2.329 10.592 -7.154 1.00 0.00 H new ATOM 0 HH TYR A 27 -3.644 12.154 -8.060 1.00 0.00 H new ATOM 404 N TRP A 28 -5.184 4.494 -3.322 1.00 0.00 N ATOM 405 CA TRP A 28 -4.865 3.249 -2.573 1.00 0.00 C ATOM 406 C TRP A 28 -5.411 1.999 -3.256 1.00 0.00 C ATOM 407 O TRP A 28 -6.492 1.986 -3.812 1.00 0.00 O ATOM 408 CB TRP A 28 -5.542 3.424 -1.219 1.00 0.00 C ATOM 409 CG TRP A 28 -7.018 3.533 -1.416 1.00 0.00 C ATOM 410 CD1 TRP A 28 -7.694 4.685 -1.620 1.00 0.00 C ATOM 411 CD2 TRP A 28 -8.010 2.466 -1.438 1.00 0.00 C ATOM 412 NE1 TRP A 28 -9.039 4.395 -1.763 1.00 0.00 N ATOM 413 CE2 TRP A 28 -9.283 3.041 -1.659 1.00 0.00 C ATOM 414 CE3 TRP A 28 -7.927 1.070 -1.289 1.00 0.00 C ATOM 415 CZ2 TRP A 28 -10.436 2.257 -1.729 1.00 0.00 C ATOM 416 CZ3 TRP A 28 -9.084 0.278 -1.359 1.00 0.00 C ATOM 417 CH2 TRP A 28 -10.337 0.871 -1.578 1.00 0.00 C ATOM 0 H TRP A 28 -6.084 4.511 -3.801 1.00 0.00 H new ATOM 0 HA TRP A 28 -3.786 3.109 -2.506 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -5.311 2.578 -0.572 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -5.163 4.317 -0.723 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -7.256 5.671 -1.664 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -9.762 5.096 -1.925 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -6.967 0.604 -1.120 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -11.398 2.718 -1.899 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -9.009 -0.793 -1.244 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -11.224 0.257 -1.630 1.00 0.00 H new ATOM 428 N TRP A 29 -4.666 0.935 -3.170 1.00 0.00 N ATOM 429 CA TRP A 29 -5.103 -0.360 -3.753 1.00 0.00 C ATOM 430 C TRP A 29 -4.351 -1.481 -3.035 1.00 0.00 C ATOM 431 O TRP A 29 -3.464 -1.225 -2.247 1.00 0.00 O ATOM 432 CB TRP A 29 -4.742 -0.295 -5.238 1.00 0.00 C ATOM 433 CG TRP A 29 -3.269 -0.128 -5.393 1.00 0.00 C ATOM 434 CD1 TRP A 29 -2.399 -1.122 -5.679 1.00 0.00 C ATOM 435 CD2 TRP A 29 -2.482 1.087 -5.278 1.00 0.00 C ATOM 436 NE1 TRP A 29 -1.123 -0.589 -5.753 1.00 0.00 N ATOM 437 CE2 TRP A 29 -1.125 0.771 -5.510 1.00 0.00 C ATOM 438 CE3 TRP A 29 -2.816 2.423 -4.997 1.00 0.00 C ATOM 439 CZ2 TRP A 29 -0.130 1.751 -5.465 1.00 0.00 C ATOM 440 CZ3 TRP A 29 -1.820 3.410 -4.950 1.00 0.00 C ATOM 441 CH2 TRP A 29 -0.481 3.075 -5.183 1.00 0.00 C ATOM 0 H TRP A 29 -3.755 0.909 -2.711 1.00 0.00 H new ATOM 0 HA TRP A 29 -6.170 -0.549 -3.639 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -5.069 -1.205 -5.741 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -5.263 0.536 -5.712 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -2.656 -2.161 -5.826 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -0.286 -1.133 -5.961 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -3.846 2.692 -4.816 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 0.902 1.488 -5.647 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -2.088 4.434 -4.733 1.00 0.00 H new ATOM 0 HH2 TRP A 29 0.281 3.839 -5.145 1.00 0.00 H new ATOM 452 N GLU A 30 -4.695 -2.711 -3.272 1.00 0.00 N ATOM 453 CA GLU A 30 -3.985 -3.812 -2.560 1.00 0.00 C ATOM 454 C GLU A 30 -3.236 -4.708 -3.551 1.00 0.00 C ATOM 455 O GLU A 30 -3.723 -5.009 -4.623 1.00 0.00 O ATOM 456 CB GLU A 30 -5.085 -4.601 -1.848 1.00 0.00 C ATOM 457 CG GLU A 30 -6.063 -5.169 -2.878 1.00 0.00 C ATOM 458 CD GLU A 30 -7.497 -4.872 -2.437 1.00 0.00 C ATOM 459 OE1 GLU A 30 -7.889 -5.370 -1.394 1.00 0.00 O ATOM 460 OE2 GLU A 30 -8.178 -4.152 -3.147 1.00 0.00 O ATOM 0 H GLU A 30 -5.427 -3.004 -3.919 1.00 0.00 H new ATOM 0 HA GLU A 30 -3.239 -3.429 -1.864 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -4.646 -5.410 -1.265 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -5.614 -3.955 -1.148 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -5.874 -4.728 -3.857 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -5.918 -6.245 -2.979 1.00 0.00 H new ATOM 467 N MET A 31 -2.057 -5.142 -3.194 1.00 0.00 N ATOM 468 CA MET A 31 -1.278 -6.026 -4.108 1.00 0.00 C ATOM 469 C MET A 31 -1.277 -7.459 -3.570 1.00 0.00 C ATOM 470 O MET A 31 -1.731 -7.720 -2.474 1.00 0.00 O ATOM 471 CB MET A 31 0.141 -5.454 -4.107 1.00 0.00 C ATOM 472 CG MET A 31 0.136 -4.071 -4.762 1.00 0.00 C ATOM 473 SD MET A 31 0.853 -4.188 -6.420 1.00 0.00 S ATOM 474 CE MET A 31 2.590 -4.103 -5.921 1.00 0.00 C ATOM 0 H MET A 31 -1.600 -4.923 -2.309 1.00 0.00 H new ATOM 0 HA MET A 31 -1.700 -6.058 -5.112 1.00 0.00 H new ATOM 0 HB2 MET A 31 0.515 -5.383 -3.086 1.00 0.00 H new ATOM 0 HB3 MET A 31 0.813 -6.121 -4.647 1.00 0.00 H new ATOM 0 HG2 MET A 31 -0.883 -3.688 -4.821 1.00 0.00 H new ATOM 0 HG3 MET A 31 0.707 -3.367 -4.156 1.00 0.00 H new ATOM 0 HE1 MET A 31 3.226 -4.159 -6.805 1.00 0.00 H new ATOM 0 HE2 MET A 31 2.774 -3.163 -5.401 1.00 0.00 H new ATOM 0 HE3 MET A 31 2.819 -4.936 -5.256 1.00 0.00 H new ATOM 484 N GLN A 32 -0.770 -8.391 -4.327 1.00 0.00 N ATOM 485 CA GLN A 32 -0.744 -9.804 -3.849 1.00 0.00 C ATOM 486 C GLN A 32 0.674 -10.195 -3.426 1.00 0.00 C ATOM 487 O GLN A 32 1.643 -9.574 -3.815 1.00 0.00 O ATOM 488 CB GLN A 32 -1.201 -10.638 -5.046 1.00 0.00 C ATOM 489 CG GLN A 32 -0.276 -10.378 -6.238 1.00 0.00 C ATOM 490 CD GLN A 32 -0.302 -11.586 -7.176 1.00 0.00 C ATOM 491 OE1 GLN A 32 -0.835 -11.513 -8.265 1.00 0.00 O ATOM 492 NE2 GLN A 32 0.256 -12.704 -6.796 1.00 0.00 N ATOM 0 H GLN A 32 -0.373 -8.238 -5.254 1.00 0.00 H new ATOM 0 HA GLN A 32 -1.385 -9.957 -2.981 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -1.190 -11.697 -4.789 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -2.228 -10.384 -5.308 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -0.595 -9.483 -6.772 1.00 0.00 H new ATOM 0 HG3 GLN A 32 0.741 -10.196 -5.890 1.00 0.00 H new ATOM 0 HE21 GLN A 32 0.704 -12.766 -5.882 1.00 0.00 H new ATOM 0 HE22 GLN A 32 0.244 -13.516 -7.414 1.00 0.00 H new ATOM 501 N THR A 33 0.803 -11.222 -2.631 1.00 0.00 N ATOM 502 CA THR A 33 2.158 -11.654 -2.182 1.00 0.00 C ATOM 503 C THR A 33 2.192 -13.172 -1.996 1.00 0.00 C ATOM 504 O THR A 33 2.804 -13.889 -2.765 1.00 0.00 O ATOM 505 CB THR A 33 2.377 -10.948 -0.842 1.00 0.00 C ATOM 506 OG1 THR A 33 1.120 -10.542 -0.314 1.00 0.00 O ATOM 507 CG2 THR A 33 3.268 -9.721 -1.049 1.00 0.00 C ATOM 0 H THR A 33 0.029 -11.781 -2.273 1.00 0.00 H new ATOM 0 HA THR A 33 2.932 -11.403 -2.907 1.00 0.00 H new ATOM 0 HB THR A 33 2.862 -11.631 -0.144 1.00 0.00 H new ATOM 0 HG1 THR A 33 1.200 -10.404 0.653 1.00 0.00 H new ATOM 0 HG21 THR A 33 3.423 -9.219 -0.094 1.00 0.00 H new ATOM 0 HG22 THR A 33 4.230 -10.034 -1.455 1.00 0.00 H new ATOM 0 HG23 THR A 33 2.786 -9.035 -1.746 1.00 0.00 H new ATOM 515 N ARG A 34 1.539 -13.670 -0.982 1.00 0.00 N ATOM 516 CA ARG A 34 1.534 -15.142 -0.747 1.00 0.00 C ATOM 517 C ARG A 34 0.220 -15.748 -1.248 1.00 0.00 C ATOM 518 O ARG A 34 0.117 -16.185 -2.377 1.00 0.00 O ATOM 519 CB ARG A 34 1.657 -15.301 0.768 1.00 0.00 C ATOM 520 CG ARG A 34 3.126 -15.499 1.143 1.00 0.00 C ATOM 521 CD ARG A 34 3.309 -15.262 2.644 1.00 0.00 C ATOM 522 NE ARG A 34 4.513 -14.395 2.750 1.00 0.00 N ATOM 523 CZ ARG A 34 5.605 -14.857 3.296 1.00 0.00 C ATOM 524 NH1 ARG A 34 6.013 -16.064 3.014 1.00 0.00 N ATOM 525 NH2 ARG A 34 6.285 -14.113 4.124 1.00 0.00 N ATOM 0 H ARG A 34 1.008 -13.121 -0.306 1.00 0.00 H new ATOM 0 HA ARG A 34 2.341 -15.650 -1.275 1.00 0.00 H new ATOM 0 HB2 ARG A 34 1.258 -14.420 1.270 1.00 0.00 H new ATOM 0 HB3 ARG A 34 1.067 -16.154 1.104 1.00 0.00 H new ATOM 0 HG2 ARG A 34 3.446 -16.508 0.882 1.00 0.00 H new ATOM 0 HG3 ARG A 34 3.752 -14.810 0.577 1.00 0.00 H new ATOM 0 HD2 ARG A 34 2.434 -14.778 3.077 1.00 0.00 H new ATOM 0 HD3 ARG A 34 3.450 -16.202 3.178 1.00 0.00 H new ATOM 0 HE ARG A 34 4.485 -13.439 2.396 1.00 0.00 H new ATOM 0 HH11 ARG A 34 5.479 -16.645 2.368 1.00 0.00 H new ATOM 0 HH12 ARG A 34 6.866 -16.426 3.440 1.00 0.00 H new ATOM 0 HH21 ARG A 34 5.963 -13.171 4.345 1.00 0.00 H new ATOM 0 HH22 ARG A 34 7.138 -14.474 4.551 1.00 0.00 H new ATOM 539 N ALA A 35 -0.784 -15.777 -0.416 1.00 0.00 N ATOM 540 CA ALA A 35 -2.091 -16.352 -0.844 1.00 0.00 C ATOM 541 C ALA A 35 -2.740 -15.454 -1.902 1.00 0.00 C ATOM 542 O ALA A 35 -2.715 -14.243 -1.802 1.00 0.00 O ATOM 543 CB ALA A 35 -2.942 -16.387 0.425 1.00 0.00 C ATOM 0 H ALA A 35 -0.756 -15.428 0.542 1.00 0.00 H new ATOM 0 HA ALA A 35 -1.983 -17.341 -1.289 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -3.924 -16.799 0.193 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -2.454 -17.011 1.173 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -3.056 -15.375 0.815 1.00 0.00 H new ATOM 549 N GLY A 36 -3.323 -16.038 -2.915 1.00 0.00 N ATOM 550 CA GLY A 36 -3.973 -15.216 -3.976 1.00 0.00 C ATOM 551 C GLY A 36 -5.411 -14.898 -3.565 1.00 0.00 C ATOM 552 O GLY A 36 -6.324 -15.652 -3.833 1.00 0.00 O ATOM 0 H GLY A 36 -3.377 -17.047 -3.053 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -3.414 -14.293 -4.129 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -3.965 -15.754 -4.924 1.00 0.00 H new ATOM 556 N ASP A 37 -5.620 -13.787 -2.912 1.00 0.00 N ATOM 557 CA ASP A 37 -7.001 -13.425 -2.484 1.00 0.00 C ATOM 558 C ASP A 37 -7.160 -11.904 -2.430 1.00 0.00 C ATOM 559 O ASP A 37 -7.965 -11.328 -3.137 1.00 0.00 O ATOM 560 CB ASP A 37 -7.153 -14.027 -1.087 1.00 0.00 C ATOM 561 CG ASP A 37 -8.637 -14.118 -0.729 1.00 0.00 C ATOM 562 OD1 ASP A 37 -9.452 -13.998 -1.630 1.00 0.00 O ATOM 563 OD2 ASP A 37 -8.935 -14.304 0.440 1.00 0.00 O ATOM 0 H ASP A 37 -4.896 -13.116 -2.657 1.00 0.00 H new ATOM 0 HA ASP A 37 -7.756 -13.798 -3.175 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -6.699 -15.017 -1.055 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -6.629 -13.412 -0.356 1.00 0.00 H new ATOM 568 N GLU A 38 -6.403 -11.246 -1.593 1.00 0.00 N ATOM 569 CA GLU A 38 -6.518 -9.762 -1.495 1.00 0.00 C ATOM 570 C GLU A 38 -5.662 -9.228 -0.330 1.00 0.00 C ATOM 571 O GLU A 38 -4.797 -8.402 -0.541 1.00 0.00 O ATOM 572 CB GLU A 38 -8.017 -9.494 -1.279 1.00 0.00 C ATOM 573 CG GLU A 38 -8.218 -8.223 -0.447 1.00 0.00 C ATOM 574 CD GLU A 38 -9.645 -7.707 -0.639 1.00 0.00 C ATOM 575 OE1 GLU A 38 -10.542 -8.526 -0.745 1.00 0.00 O ATOM 576 OE2 GLU A 38 -9.817 -6.499 -0.678 1.00 0.00 O ATOM 0 H GLU A 38 -5.712 -11.671 -0.975 1.00 0.00 H new ATOM 0 HA GLU A 38 -6.151 -9.253 -2.386 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -8.517 -9.389 -2.242 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -8.476 -10.344 -0.773 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -8.035 -8.433 0.607 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -7.500 -7.460 -0.750 1.00 0.00 H new ATOM 583 N PRO A 39 -5.923 -9.706 0.866 1.00 0.00 N ATOM 584 CA PRO A 39 -5.154 -9.250 2.049 1.00 0.00 C ATOM 585 C PRO A 39 -3.652 -9.469 1.847 1.00 0.00 C ATOM 586 O PRO A 39 -3.211 -10.545 1.496 1.00 0.00 O ATOM 587 CB PRO A 39 -5.699 -10.139 3.171 1.00 0.00 C ATOM 588 CG PRO A 39 -6.772 -11.074 2.582 1.00 0.00 C ATOM 589 CD PRO A 39 -6.981 -10.716 1.104 1.00 0.00 C ATOM 0 HA PRO A 39 -5.264 -8.185 2.253 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -4.893 -10.722 3.617 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -6.126 -9.526 3.965 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -6.461 -12.114 2.678 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -7.707 -10.969 3.132 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -6.866 -11.585 0.456 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -7.977 -10.312 0.921 1.00 0.00 H new ATOM 597 N SER A 40 -2.865 -8.452 2.070 1.00 0.00 N ATOM 598 CA SER A 40 -1.390 -8.589 1.896 1.00 0.00 C ATOM 599 C SER A 40 -0.707 -7.241 2.146 1.00 0.00 C ATOM 600 O SER A 40 -0.179 -6.991 3.212 1.00 0.00 O ATOM 601 CB SER A 40 -1.205 -9.026 0.444 1.00 0.00 C ATOM 602 OG SER A 40 0.018 -8.498 -0.052 1.00 0.00 O ATOM 0 H SER A 40 -3.181 -7.529 2.366 1.00 0.00 H new ATOM 0 HA SER A 40 -0.951 -9.302 2.594 1.00 0.00 H new ATOM 0 HB2 SER A 40 -1.199 -10.114 0.377 1.00 0.00 H new ATOM 0 HB3 SER A 40 -2.039 -8.674 -0.163 1.00 0.00 H new ATOM 0 HG SER A 40 0.588 -9.231 -0.364 1.00 0.00 H new ATOM 608 N THR A 41 -0.719 -6.370 1.174 1.00 0.00 N ATOM 609 CA THR A 41 -0.075 -5.036 1.357 1.00 0.00 C ATOM 610 C THR A 41 -0.767 -3.993 0.470 1.00 0.00 C ATOM 611 O THR A 41 -1.011 -4.223 -0.698 1.00 0.00 O ATOM 612 CB THR A 41 1.379 -5.232 0.923 1.00 0.00 C ATOM 613 OG1 THR A 41 1.984 -6.227 1.738 1.00 0.00 O ATOM 614 CG2 THR A 41 2.140 -3.914 1.073 1.00 0.00 C ATOM 0 H THR A 41 -1.147 -6.524 0.261 1.00 0.00 H new ATOM 0 HA THR A 41 -0.146 -4.679 2.384 1.00 0.00 H new ATOM 0 HB THR A 41 1.409 -5.548 -0.120 1.00 0.00 H new ATOM 0 HG1 THR A 41 2.915 -6.355 1.461 1.00 0.00 H new ATOM 0 HG21 THR A 41 3.176 -4.055 0.764 1.00 0.00 H new ATOM 0 HG22 THR A 41 1.675 -3.152 0.448 1.00 0.00 H new ATOM 0 HG23 THR A 41 2.113 -3.595 2.115 1.00 0.00 H new ATOM 622 N ILE A 42 -1.092 -2.850 1.016 1.00 0.00 N ATOM 623 CA ILE A 42 -1.774 -1.802 0.200 1.00 0.00 C ATOM 624 C ILE A 42 -0.819 -0.645 -0.098 1.00 0.00 C ATOM 625 O ILE A 42 -0.265 -0.038 0.798 1.00 0.00 O ATOM 626 CB ILE A 42 -2.944 -1.326 1.066 1.00 0.00 C ATOM 627 CG1 ILE A 42 -4.092 -2.339 0.948 1.00 0.00 C ATOM 628 CG2 ILE A 42 -3.412 0.063 0.598 1.00 0.00 C ATOM 629 CD1 ILE A 42 -5.429 -1.674 1.285 1.00 0.00 C ATOM 0 H ILE A 42 -0.915 -2.598 1.988 1.00 0.00 H new ATOM 0 HA ILE A 42 -2.107 -2.186 -0.764 1.00 0.00 H new ATOM 0 HB ILE A 42 -2.628 -1.252 2.106 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -4.125 -2.744 -0.063 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -3.916 -3.178 1.622 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -4.244 0.395 1.219 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -2.589 0.773 0.685 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -3.735 0.007 -0.442 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -6.232 -2.406 1.196 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -5.398 -1.291 2.305 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -5.610 -0.851 0.594 1.00 0.00 H new ATOM 641 N PHE A 43 -0.638 -0.320 -1.348 1.00 0.00 N ATOM 642 CA PHE A 43 0.263 0.813 -1.696 1.00 0.00 C ATOM 643 C PHE A 43 -0.551 2.102 -1.786 1.00 0.00 C ATOM 644 O PHE A 43 -1.629 2.131 -2.352 1.00 0.00 O ATOM 645 CB PHE A 43 0.857 0.465 -3.060 1.00 0.00 C ATOM 646 CG PHE A 43 1.979 -0.529 -2.885 1.00 0.00 C ATOM 647 CD1 PHE A 43 1.706 -1.819 -2.417 1.00 0.00 C ATOM 648 CD2 PHE A 43 3.293 -0.160 -3.195 1.00 0.00 C ATOM 649 CE1 PHE A 43 2.748 -2.741 -2.257 1.00 0.00 C ATOM 650 CE2 PHE A 43 4.335 -1.080 -3.035 1.00 0.00 C ATOM 651 CZ PHE A 43 4.062 -2.370 -2.566 1.00 0.00 C ATOM 0 H PHE A 43 -1.074 -0.789 -2.142 1.00 0.00 H new ATOM 0 HA PHE A 43 1.043 0.964 -0.949 1.00 0.00 H new ATOM 0 HB2 PHE A 43 0.086 0.048 -3.708 1.00 0.00 H new ATOM 0 HB3 PHE A 43 1.229 1.367 -3.547 1.00 0.00 H new ATOM 0 HD1 PHE A 43 0.692 -2.104 -2.179 1.00 0.00 H new ATOM 0 HD2 PHE A 43 3.503 0.835 -3.558 1.00 0.00 H new ATOM 0 HE1 PHE A 43 2.538 -3.737 -1.896 1.00 0.00 H new ATOM 0 HE2 PHE A 43 5.349 -0.795 -3.273 1.00 0.00 H new ATOM 0 HZ PHE A 43 4.866 -3.080 -2.442 1.00 0.00 H new ATOM 661 N TYR A 44 -0.046 3.166 -1.233 1.00 0.00 N ATOM 662 CA TYR A 44 -0.790 4.456 -1.285 1.00 0.00 C ATOM 663 C TYR A 44 -0.055 5.451 -2.179 1.00 0.00 C ATOM 664 O TYR A 44 1.083 5.794 -1.928 1.00 0.00 O ATOM 665 CB TYR A 44 -0.789 4.978 0.146 1.00 0.00 C ATOM 666 CG TYR A 44 -1.666 4.129 1.030 1.00 0.00 C ATOM 667 CD1 TYR A 44 -2.817 3.511 0.524 1.00 0.00 C ATOM 668 CD2 TYR A 44 -1.328 3.981 2.376 1.00 0.00 C ATOM 669 CE1 TYR A 44 -3.624 2.744 1.375 1.00 0.00 C ATOM 670 CE2 TYR A 44 -2.134 3.221 3.226 1.00 0.00 C ATOM 671 CZ TYR A 44 -3.283 2.600 2.725 1.00 0.00 C ATOM 672 OH TYR A 44 -4.080 1.846 3.562 1.00 0.00 O ATOM 0 H TYR A 44 0.850 3.200 -0.747 1.00 0.00 H new ATOM 0 HA TYR A 44 -1.796 4.324 -1.683 1.00 0.00 H new ATOM 0 HB2 TYR A 44 0.229 4.983 0.535 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -1.141 6.010 0.161 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -3.081 3.625 -0.517 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -0.439 4.457 2.762 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -4.511 2.263 0.989 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -1.871 3.113 4.268 1.00 0.00 H new ATOM 0 HH TYR A 44 -3.700 1.848 4.465 1.00 0.00 H new ATOM 682 N LYS A 45 -0.692 5.938 -3.206 1.00 0.00 N ATOM 683 CA LYS A 45 -0.006 6.928 -4.079 1.00 0.00 C ATOM 684 C LYS A 45 -0.501 8.339 -3.778 1.00 0.00 C ATOM 685 O LYS A 45 -1.612 8.708 -4.094 1.00 0.00 O ATOM 686 CB LYS A 45 -0.332 6.535 -5.513 1.00 0.00 C ATOM 687 CG LYS A 45 0.933 6.018 -6.189 1.00 0.00 C ATOM 688 CD LYS A 45 0.566 5.393 -7.529 1.00 0.00 C ATOM 689 CE LYS A 45 1.516 5.904 -8.614 1.00 0.00 C ATOM 690 NZ LYS A 45 2.859 5.392 -8.223 1.00 0.00 N ATOM 0 H LYS A 45 -1.646 5.697 -3.476 1.00 0.00 H new ATOM 0 HA LYS A 45 1.071 6.927 -3.909 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -1.106 5.767 -5.526 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -0.726 7.393 -6.058 1.00 0.00 H new ATOM 0 HG2 LYS A 45 1.640 6.834 -6.337 1.00 0.00 H new ATOM 0 HG3 LYS A 45 1.424 5.282 -5.553 1.00 0.00 H new ATOM 0 HD2 LYS A 45 0.625 4.307 -7.463 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -0.463 5.641 -7.787 1.00 0.00 H new ATOM 0 HE2 LYS A 45 1.225 5.537 -9.598 1.00 0.00 H new ATOM 0 HE3 LYS A 45 1.508 6.993 -8.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 3.536 5.569 -8.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 3.179 5.879 -7.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 2.801 4.370 -8.041 1.00 0.00 H new ATOM 704 N CYS A 46 0.331 9.126 -3.170 1.00 0.00 N ATOM 705 CA CYS A 46 -0.059 10.524 -2.832 1.00 0.00 C ATOM 706 C CYS A 46 -0.654 11.215 -4.065 1.00 0.00 C ATOM 707 O CYS A 46 -0.135 11.115 -5.158 1.00 0.00 O ATOM 708 CB CYS A 46 1.256 11.180 -2.391 1.00 0.00 C ATOM 709 SG CYS A 46 1.196 12.977 -2.623 1.00 0.00 S ATOM 0 H CYS A 46 1.275 8.863 -2.888 1.00 0.00 H new ATOM 0 HA CYS A 46 -0.822 10.587 -2.056 1.00 0.00 H new ATOM 0 HB2 CYS A 46 1.447 10.951 -1.342 1.00 0.00 H new ATOM 0 HB3 CYS A 46 2.084 10.763 -2.964 1.00 0.00 H new ATOM 715 N THR A 47 -1.747 11.910 -3.892 1.00 0.00 N ATOM 716 CA THR A 47 -2.385 12.601 -5.047 1.00 0.00 C ATOM 717 C THR A 47 -1.780 13.996 -5.240 1.00 0.00 C ATOM 718 O THR A 47 -2.483 14.956 -5.486 1.00 0.00 O ATOM 719 CB THR A 47 -3.867 12.707 -4.675 1.00 0.00 C ATOM 720 OG1 THR A 47 -4.042 13.751 -3.728 1.00 0.00 O ATOM 721 CG2 THR A 47 -4.344 11.383 -4.073 1.00 0.00 C ATOM 0 H THR A 47 -2.225 12.028 -2.999 1.00 0.00 H new ATOM 0 HA THR A 47 -2.234 12.061 -5.982 1.00 0.00 H new ATOM 0 HB THR A 47 -4.450 12.925 -5.570 1.00 0.00 H new ATOM 0 HG1 THR A 47 -3.881 14.615 -4.161 1.00 0.00 H new ATOM 0 HG21 THR A 47 -5.399 11.462 -3.810 1.00 0.00 H new ATOM 0 HG22 THR A 47 -4.211 10.583 -4.802 1.00 0.00 H new ATOM 0 HG23 THR A 47 -3.762 11.160 -3.179 1.00 0.00 H new ATOM 729 N LYS A 48 -0.485 14.117 -5.136 1.00 0.00 N ATOM 730 CA LYS A 48 0.153 15.453 -5.322 1.00 0.00 C ATOM 731 C LYS A 48 1.495 15.305 -6.042 1.00 0.00 C ATOM 732 O LYS A 48 1.630 15.657 -7.197 1.00 0.00 O ATOM 733 CB LYS A 48 0.356 16.003 -3.908 1.00 0.00 C ATOM 734 CG LYS A 48 0.961 17.406 -3.986 1.00 0.00 C ATOM 735 CD LYS A 48 -0.148 18.429 -4.231 1.00 0.00 C ATOM 736 CE LYS A 48 0.091 19.127 -5.571 1.00 0.00 C ATOM 737 NZ LYS A 48 -0.768 20.343 -5.527 1.00 0.00 N ATOM 0 H LYS A 48 0.158 13.352 -4.931 1.00 0.00 H new ATOM 0 HA LYS A 48 -0.459 16.119 -5.930 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -0.597 16.035 -3.379 1.00 0.00 H new ATOM 0 HB3 LYS A 48 1.013 15.343 -3.341 1.00 0.00 H new ATOM 0 HG2 LYS A 48 1.486 17.639 -3.060 1.00 0.00 H new ATOM 0 HG3 LYS A 48 1.696 17.452 -4.789 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -1.119 17.935 -4.234 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -0.166 19.162 -3.425 1.00 0.00 H new ATOM 0 HE2 LYS A 48 1.141 19.389 -5.698 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -0.180 18.482 -6.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -0.660 20.877 -6.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -1.763 20.062 -5.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -0.482 20.941 -4.725 1.00 0.00 H new ATOM 751 N CYS A 49 2.489 14.788 -5.374 1.00 0.00 N ATOM 752 CA CYS A 49 3.818 14.623 -6.031 1.00 0.00 C ATOM 753 C CYS A 49 3.911 13.252 -6.701 1.00 0.00 C ATOM 754 O CYS A 49 4.679 13.050 -7.621 1.00 0.00 O ATOM 755 CB CYS A 49 4.842 14.741 -4.902 1.00 0.00 C ATOM 756 SG CYS A 49 4.760 13.270 -3.851 1.00 0.00 S ATOM 0 H CYS A 49 2.440 14.473 -4.405 1.00 0.00 H new ATOM 0 HA CYS A 49 3.986 15.368 -6.809 1.00 0.00 H new ATOM 0 HB2 CYS A 49 5.844 14.849 -5.316 1.00 0.00 H new ATOM 0 HB3 CYS A 49 4.644 15.635 -4.310 1.00 0.00 H new ATOM 762 N GLY A 50 3.132 12.312 -6.252 1.00 0.00 N ATOM 763 CA GLY A 50 3.174 10.958 -6.866 1.00 0.00 C ATOM 764 C GLY A 50 4.044 10.026 -6.020 1.00 0.00 C ATOM 765 O GLY A 50 4.769 9.202 -6.542 1.00 0.00 O ATOM 0 H GLY A 50 2.467 12.422 -5.486 1.00 0.00 H new ATOM 0 HA2 GLY A 50 2.165 10.554 -6.945 1.00 0.00 H new ATOM 0 HA3 GLY A 50 3.572 11.021 -7.879 1.00 0.00 H new ATOM 769 N HIS A 51 3.971 10.130 -4.719 1.00 0.00 N ATOM 770 CA HIS A 51 4.787 9.225 -3.861 1.00 0.00 C ATOM 771 C HIS A 51 4.004 7.938 -3.622 1.00 0.00 C ATOM 772 O HIS A 51 2.793 7.944 -3.597 1.00 0.00 O ATOM 773 CB HIS A 51 4.994 9.986 -2.550 1.00 0.00 C ATOM 774 CG HIS A 51 5.989 9.251 -1.695 1.00 0.00 C ATOM 775 ND1 HIS A 51 6.958 8.419 -2.236 1.00 0.00 N ATOM 776 CD2 HIS A 51 6.180 9.212 -0.336 1.00 0.00 C ATOM 777 CE1 HIS A 51 7.679 7.918 -1.216 1.00 0.00 C ATOM 778 NE2 HIS A 51 7.246 8.369 -0.036 1.00 0.00 N ATOM 0 H HIS A 51 3.386 10.798 -4.217 1.00 0.00 H new ATOM 0 HA HIS A 51 5.742 8.956 -4.313 1.00 0.00 H new ATOM 0 HB2 HIS A 51 5.351 10.995 -2.755 1.00 0.00 H new ATOM 0 HB3 HIS A 51 4.046 10.084 -2.021 1.00 0.00 H new ATOM 0 HD2 HIS A 51 5.592 9.753 0.390 1.00 0.00 H new ATOM 0 HE1 HIS A 51 8.507 7.235 -1.337 1.00 0.00 H new ATOM 0 HE2 HIS A 51 7.617 8.144 0.887 1.00 0.00 H new ATOM 786 N THR A 52 4.671 6.832 -3.460 1.00 0.00 N ATOM 787 CA THR A 52 3.924 5.562 -3.240 1.00 0.00 C ATOM 788 C THR A 52 4.635 4.682 -2.208 1.00 0.00 C ATOM 789 O THR A 52 5.768 4.284 -2.395 1.00 0.00 O ATOM 790 CB THR A 52 3.913 4.873 -4.605 1.00 0.00 C ATOM 791 OG1 THR A 52 3.437 5.780 -5.589 1.00 0.00 O ATOM 792 CG2 THR A 52 3.002 3.646 -4.551 1.00 0.00 C ATOM 0 H THR A 52 5.688 6.750 -3.470 1.00 0.00 H new ATOM 0 HA THR A 52 2.920 5.743 -2.856 1.00 0.00 H new ATOM 0 HB THR A 52 4.924 4.559 -4.863 1.00 0.00 H new ATOM 0 HG1 THR A 52 4.182 6.323 -5.921 1.00 0.00 H new ATOM 0 HG21 THR A 52 2.995 3.155 -5.524 1.00 0.00 H new ATOM 0 HG22 THR A 52 3.372 2.951 -3.797 1.00 0.00 H new ATOM 0 HG23 THR A 52 1.989 3.956 -4.293 1.00 0.00 H new ATOM 800 N TRP A 53 3.975 4.357 -1.129 1.00 0.00 N ATOM 801 CA TRP A 53 4.615 3.482 -0.105 1.00 0.00 C ATOM 802 C TRP A 53 3.702 2.288 0.190 1.00 0.00 C ATOM 803 O TRP A 53 2.924 1.878 -0.648 1.00 0.00 O ATOM 804 CB TRP A 53 4.813 4.363 1.134 1.00 0.00 C ATOM 805 CG TRP A 53 3.532 5.040 1.502 1.00 0.00 C ATOM 806 CD1 TRP A 53 2.770 4.724 2.573 1.00 0.00 C ATOM 807 CD2 TRP A 53 2.860 6.147 0.832 1.00 0.00 C ATOM 808 NE1 TRP A 53 1.670 5.562 2.602 1.00 0.00 N ATOM 809 CE2 TRP A 53 1.680 6.455 1.550 1.00 0.00 C ATOM 810 CE3 TRP A 53 3.154 6.903 -0.316 1.00 0.00 C ATOM 811 CZ2 TRP A 53 0.823 7.477 1.141 1.00 0.00 C ATOM 812 CZ3 TRP A 53 2.291 7.933 -0.728 1.00 0.00 C ATOM 813 CH2 TRP A 53 1.128 8.216 0.000 1.00 0.00 C ATOM 0 H TRP A 53 3.025 4.658 -0.913 1.00 0.00 H new ATOM 0 HA TRP A 53 5.569 3.075 -0.439 1.00 0.00 H new ATOM 0 HB2 TRP A 53 5.163 3.755 1.968 1.00 0.00 H new ATOM 0 HB3 TRP A 53 5.583 5.109 0.938 1.00 0.00 H new ATOM 0 HD1 TRP A 53 2.985 3.945 3.289 1.00 0.00 H new ATOM 0 HE1 TRP A 53 0.941 5.524 3.314 1.00 0.00 H new ATOM 0 HE3 TRP A 53 4.048 6.691 -0.884 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -0.072 7.694 1.706 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 2.526 8.509 -1.611 1.00 0.00 H new ATOM 0 HH2 TRP A 53 0.468 9.007 -0.323 1.00 0.00 H new ATOM 824 N ARG A 54 3.792 1.710 1.357 1.00 0.00 N ATOM 825 CA ARG A 54 2.924 0.533 1.658 1.00 0.00 C ATOM 826 C ARG A 54 2.180 0.715 2.983 1.00 0.00 C ATOM 827 O ARG A 54 2.545 1.526 3.812 1.00 0.00 O ATOM 828 CB ARG A 54 3.888 -0.650 1.748 1.00 0.00 C ATOM 829 CG ARG A 54 4.310 -1.074 0.341 1.00 0.00 C ATOM 830 CD ARG A 54 5.447 -2.092 0.438 1.00 0.00 C ATOM 831 NE ARG A 54 6.466 -1.449 1.311 1.00 0.00 N ATOM 832 CZ ARG A 54 7.548 -0.941 0.788 1.00 0.00 C ATOM 833 NH1 ARG A 54 8.161 -1.567 -0.178 1.00 0.00 N ATOM 834 NH2 ARG A 54 8.017 0.192 1.232 1.00 0.00 N ATOM 0 H ARG A 54 4.420 1.996 2.108 1.00 0.00 H new ATOM 0 HA ARG A 54 2.158 0.392 0.895 1.00 0.00 H new ATOM 0 HB2 ARG A 54 4.765 -0.374 2.334 1.00 0.00 H new ATOM 0 HB3 ARG A 54 3.410 -1.484 2.262 1.00 0.00 H new ATOM 0 HG2 ARG A 54 3.463 -1.508 -0.190 1.00 0.00 H new ATOM 0 HG3 ARG A 54 4.633 -0.205 -0.231 1.00 0.00 H new ATOM 0 HD2 ARG A 54 5.099 -3.033 0.864 1.00 0.00 H new ATOM 0 HD3 ARG A 54 5.857 -2.320 -0.546 1.00 0.00 H new ATOM 0 HE ARG A 54 6.319 -1.405 2.319 1.00 0.00 H new ATOM 0 HH11 ARG A 54 7.795 -2.454 -0.525 1.00 0.00 H new ATOM 0 HH12 ARG A 54 9.007 -1.170 -0.587 1.00 0.00 H new ATOM 0 HH21 ARG A 54 7.538 0.681 1.988 1.00 0.00 H new ATOM 0 HH22 ARG A 54 8.863 0.589 0.823 1.00 0.00 H new ATOM 848 N SER A 55 1.135 -0.043 3.183 1.00 0.00 N ATOM 849 CA SER A 55 0.352 0.064 4.448 1.00 0.00 C ATOM 850 C SER A 55 0.610 -1.160 5.332 1.00 0.00 C ATOM 851 O SER A 55 -0.098 -1.409 6.288 1.00 0.00 O ATOM 852 CB SER A 55 -1.109 0.098 4.000 1.00 0.00 C ATOM 853 OG SER A 55 -1.214 0.870 2.813 1.00 0.00 O ATOM 0 H SER A 55 0.788 -0.736 2.520 1.00 0.00 H new ATOM 0 HA SER A 55 0.624 0.943 5.032 1.00 0.00 H new ATOM 0 HB2 SER A 55 -1.472 -0.915 3.823 1.00 0.00 H new ATOM 0 HB3 SER A 55 -1.733 0.527 4.784 1.00 0.00 H new ATOM 0 HG SER A 55 -1.795 1.642 2.975 1.00 0.00 H new ATOM 859 N TYR A 56 1.616 -1.927 5.016 1.00 0.00 N ATOM 860 CA TYR A 56 1.919 -3.138 5.832 1.00 0.00 C ATOM 861 C TYR A 56 2.535 -2.734 7.175 1.00 0.00 C ATOM 862 O TYR A 56 3.575 -2.108 7.229 1.00 0.00 O ATOM 863 CB TYR A 56 2.924 -3.929 4.994 1.00 0.00 C ATOM 864 CG TYR A 56 3.418 -5.120 5.778 1.00 0.00 C ATOM 865 CD1 TYR A 56 2.546 -6.174 6.074 1.00 0.00 C ATOM 866 CD2 TYR A 56 4.749 -5.173 6.205 1.00 0.00 C ATOM 867 CE1 TYR A 56 3.006 -7.281 6.796 1.00 0.00 C ATOM 868 CE2 TYR A 56 5.210 -6.279 6.928 1.00 0.00 C ATOM 869 CZ TYR A 56 4.338 -7.333 7.224 1.00 0.00 C ATOM 870 OH TYR A 56 4.792 -8.425 7.935 1.00 0.00 O ATOM 0 H TYR A 56 2.243 -1.768 4.227 1.00 0.00 H new ATOM 0 HA TYR A 56 1.026 -3.720 6.060 1.00 0.00 H new ATOM 0 HB2 TYR A 56 2.457 -4.261 4.067 1.00 0.00 H new ATOM 0 HB3 TYR A 56 3.763 -3.291 4.718 1.00 0.00 H new ATOM 0 HD1 TYR A 56 1.518 -6.133 5.745 1.00 0.00 H new ATOM 0 HD2 TYR A 56 5.422 -4.360 5.976 1.00 0.00 H new ATOM 0 HE1 TYR A 56 2.334 -8.095 7.023 1.00 0.00 H new ATOM 0 HE2 TYR A 56 6.238 -6.319 7.257 1.00 0.00 H new ATOM 0 HH TYR A 56 5.739 -8.302 8.154 1.00 0.00 H new ATOM 880 N GLU A 57 1.901 -3.090 8.260 1.00 0.00 N ATOM 881 CA GLU A 57 2.452 -2.727 9.598 1.00 0.00 C ATOM 882 C GLU A 57 2.829 -3.991 10.374 1.00 0.00 C ATOM 883 O GLU A 57 3.213 -3.864 11.525 1.00 0.00 O ATOM 884 CB GLU A 57 1.320 -1.980 10.306 1.00 0.00 C ATOM 885 CG GLU A 57 1.894 -1.173 11.473 1.00 0.00 C ATOM 886 CD GLU A 57 1.292 -1.677 12.787 1.00 0.00 C ATOM 887 OE1 GLU A 57 0.184 -2.186 12.751 1.00 0.00 O ATOM 888 OE2 GLU A 57 1.949 -1.546 13.806 1.00 0.00 O ATOM 889 OXT GLU A 57 2.726 -5.064 9.804 1.00 0.00 O ATOM 0 H GLU A 57 1.027 -3.616 8.278 1.00 0.00 H new ATOM 0 HA GLU A 57 3.354 -2.120 9.522 1.00 0.00 H new ATOM 0 HB2 GLU A 57 0.813 -1.316 9.605 1.00 0.00 H new ATOM 0 HB3 GLU A 57 0.575 -2.687 10.670 1.00 0.00 H new ATOM 0 HG2 GLU A 57 2.979 -1.270 11.497 1.00 0.00 H new ATOM 0 HG3 GLU A 57 1.671 -0.114 11.341 1.00 0.00 H new TER 896 GLU A 57 HETATM 897 ZN ZN A 58 3.326 13.664 -2.099 1.00 0.00 ZN