USER MOD reduce.3.24.130724 H: found=0, std=0, add=519, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 519 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 34 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 38 HIS : no HE2:sc= 1.57 K(o=1.6,f=-6.3!) USER MOD Single : A 5 THR OG1 : rot 110:sc= 0 USER MOD Single : A 6 CYS SG : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= 0.821 K(o=0.82,f=-0.57) USER MOD Single : A -2 GLN : amide:sc= -0.0499 X(o=-0.05,f=-0.058) USER MOD Single : A -9 SER OG : rot 131:sc= 1.12 USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.093 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 THR OG1 : rot -85:sc= -1.02 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc=-0.00114! C(o=-0.0011!,f=-10!) USER MOD Single : A 23 ASN : amide:sc=-0.00601 K(o=-0.006,f=-1.2) USER MOD Single : A 29 ASN : amide:sc= -4.81! C(o=-4.8!,f=-3.1!) USER MOD Single : A 35 TYR OH : rot 180:sc= -0.586 USER MOD Single : A 36 LYS NZ :NH3+ 170:sc=-0.000692 (180deg=-0.0808) USER MOD Single : A 39 ASN : amide:sc= -0.0107 K(o=-0.011,f=-1.2) USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl -165:sc= -0.0513 (180deg=-0.447) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 164:sc= 0.671 (180deg=0.258) USER MOD Single : A -10 SER OG : rot 180:sc= 0 USER MOD Single : A -11 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A -12 HIS : no HD1:sc= -0.0308 X(o=-0.031,f=0) USER MOD Single : A -13 HIS : no HD1:sc= -0.171 X(o=-0.17,f=-0.018) USER MOD Single : A -14 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A -15 HIS : no HD1:sc= -0.0288 X(o=-0.029,f=-0.034) USER MOD Single : A -16 HIS : no HD1:sc= -0.0232 X(o=-0.023,f=-0.023) USER MOD Single : A -18 MET CE :methyl 162:sc= -0.123 (180deg=-0.698) USER MOD Single : A -18 MET N :NH3+ -121:sc= 0 (180deg=-0.0613) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A -18 21.097 0.666 -10.706 1.00 16.77 N ATOM 2 CA MET A -18 19.822 0.013 -10.323 1.00 16.30 C ATOM 3 C MET A -18 19.680 -1.336 -11.017 1.00 15.80 C ATOM 4 O MET A -18 18.707 -1.578 -11.736 1.00 15.75 O ATOM 5 CB MET A -18 18.631 0.910 -10.677 1.00 16.41 C ATOM 6 CG MET A -18 18.529 2.160 -9.819 1.00 16.85 C ATOM 7 SD MET A -18 17.156 3.229 -10.301 1.00 17.18 S ATOM 8 CE MET A -18 15.762 2.117 -10.123 1.00 17.45 C ATOM 0 H1 MET A -18 21.668 0.839 -9.854 1.00 16.77 H new ATOM 0 H2 MET A -18 21.623 0.047 -11.355 1.00 16.77 H new ATOM 0 H3 MET A -18 20.896 1.571 -11.178 1.00 16.77 H new ATOM 0 HA MET A -18 19.834 -0.147 -9.245 1.00 16.30 H new ATOM 0 HB2 MET A -18 18.708 1.204 -11.724 1.00 16.41 H new ATOM 0 HB3 MET A -18 17.711 0.334 -10.575 1.00 16.41 H new ATOM 0 HG2 MET A -18 18.409 1.870 -8.775 1.00 16.85 H new ATOM 0 HG3 MET A -18 19.461 2.720 -9.889 1.00 16.85 H new ATOM 0 HE1 MET A -18 14.840 2.695 -10.071 1.00 17.45 H new ATOM 0 HE2 MET A -18 15.721 1.445 -10.980 1.00 17.45 H new ATOM 0 HE3 MET A -18 15.877 1.533 -9.210 1.00 17.45 H new ATOM 20 N ALA A -17 20.641 -2.222 -10.796 1.00 15.58 N ATOM 21 CA ALA A -17 20.629 -3.528 -11.440 1.00 15.28 C ATOM 22 C ALA A -17 20.028 -4.586 -10.520 1.00 14.65 C ATOM 23 O ALA A -17 20.604 -5.657 -10.325 1.00 14.54 O ATOM 24 CB ALA A -17 22.033 -3.922 -11.867 1.00 15.75 C ATOM 0 H ALA A -17 21.436 -2.061 -10.178 1.00 15.58 H new ATOM 0 HA ALA A -17 20.003 -3.463 -12.330 1.00 15.28 H new ATOM 0 HB1 ALA A -17 22.006 -4.900 -12.347 1.00 15.75 H new ATOM 0 HB2 ALA A -17 22.420 -3.184 -12.570 1.00 15.75 H new ATOM 0 HB3 ALA A -17 22.681 -3.965 -10.992 1.00 15.75 H new ATOM 30 N HIS A -16 18.877 -4.272 -9.942 1.00 14.40 N ATOM 31 CA HIS A -16 18.165 -5.214 -9.087 1.00 13.97 C ATOM 32 C HIS A -16 16.675 -5.149 -9.380 1.00 13.40 C ATOM 33 O HIS A -16 16.135 -4.078 -9.662 1.00 13.34 O ATOM 34 CB HIS A -16 18.417 -4.923 -7.601 1.00 14.30 C ATOM 35 CG HIS A -16 19.855 -5.022 -7.194 1.00 14.69 C ATOM 36 ND1 HIS A -16 20.483 -6.216 -6.916 1.00 15.06 N ATOM 37 CD2 HIS A -16 20.793 -4.061 -7.026 1.00 14.94 C ATOM 38 CE1 HIS A -16 21.742 -5.986 -6.598 1.00 15.50 C ATOM 39 NE2 HIS A -16 21.956 -4.686 -6.658 1.00 15.44 N ATOM 0 H HIS A -16 18.414 -3.369 -10.050 1.00 14.40 H new ATOM 0 HA HIS A -16 18.539 -6.215 -9.302 1.00 13.97 H new ATOM 0 HB2 HIS A -16 18.054 -3.921 -7.371 1.00 14.30 H new ATOM 0 HB3 HIS A -16 17.832 -5.620 -7.001 1.00 14.30 H new ATOM 0 HD2 HIS A -16 20.651 -2.998 -7.158 1.00 14.94 H new ATOM 0 HE1 HIS A -16 22.474 -6.735 -6.333 1.00 15.50 H new ATOM 0 HE2 HIS A -16 22.843 -4.221 -6.462 1.00 15.44 H new ATOM 48 N HIS A -15 16.013 -6.292 -9.314 1.00 13.18 N ATOM 49 CA HIS A -15 14.589 -6.362 -9.601 1.00 12.80 C ATOM 50 C HIS A -15 13.795 -6.718 -8.349 1.00 12.10 C ATOM 51 O HIS A -15 13.159 -7.768 -8.264 1.00 12.11 O ATOM 52 CB HIS A -15 14.296 -7.343 -10.750 1.00 13.32 C ATOM 53 CG HIS A -15 15.092 -8.613 -10.713 1.00 13.69 C ATOM 54 ND1 HIS A -15 16.297 -8.756 -11.366 1.00 14.05 N ATOM 55 CD2 HIS A -15 14.851 -9.801 -10.113 1.00 13.95 C ATOM 56 CE1 HIS A -15 16.761 -9.973 -11.172 1.00 14.50 C ATOM 57 NE2 HIS A -15 15.904 -10.629 -10.415 1.00 14.45 N ATOM 0 H HIS A -15 16.438 -7.185 -9.064 1.00 13.18 H new ATOM 0 HA HIS A -15 14.267 -5.373 -9.928 1.00 12.80 H new ATOM 0 HB2 HIS A -15 13.236 -7.595 -10.732 1.00 13.32 H new ATOM 0 HB3 HIS A -15 14.488 -6.839 -11.697 1.00 13.32 H new ATOM 0 HD2 HIS A -15 13.991 -10.052 -9.509 1.00 13.95 H new ATOM 0 HE1 HIS A -15 17.686 -10.367 -11.566 1.00 14.50 H new ATOM 0 HE2 HIS A -15 16.006 -11.595 -10.104 1.00 14.45 H new ATOM 66 N HIS A -14 13.854 -5.825 -7.371 1.00 11.67 N ATOM 67 CA HIS A -14 13.066 -5.947 -6.152 1.00 11.15 C ATOM 68 C HIS A -14 12.175 -4.725 -5.995 1.00 10.45 C ATOM 69 O HIS A -14 12.231 -4.025 -4.985 1.00 10.24 O ATOM 70 CB HIS A -14 13.965 -6.087 -4.921 1.00 11.34 C ATOM 71 CG HIS A -14 14.706 -7.383 -4.847 1.00 11.78 C ATOM 72 ND1 HIS A -14 16.057 -7.459 -4.600 1.00 12.06 N ATOM 73 CD2 HIS A -14 14.274 -8.661 -4.967 1.00 12.20 C ATOM 74 CE1 HIS A -14 16.424 -8.725 -4.571 1.00 12.61 C ATOM 75 NE2 HIS A -14 15.363 -9.474 -4.791 1.00 12.71 N ATOM 0 H HIS A -14 14.448 -4.997 -7.400 1.00 11.67 H new ATOM 0 HA HIS A -14 12.454 -6.845 -6.232 1.00 11.15 H new ATOM 0 HB2 HIS A -14 14.685 -5.269 -4.916 1.00 11.34 H new ATOM 0 HB3 HIS A -14 13.354 -5.979 -4.025 1.00 11.34 H new ATOM 0 HD2 HIS A -14 13.261 -8.980 -5.164 1.00 12.20 H new ATOM 0 HE1 HIS A -14 17.426 -9.087 -4.396 1.00 12.61 H new ATOM 0 HE2 HIS A -14 15.354 -10.493 -4.825 1.00 12.71 H new ATOM 84 N HIS A -13 11.371 -4.460 -7.012 1.00 10.29 N ATOM 85 CA HIS A -13 10.495 -3.295 -7.008 1.00 9.83 C ATOM 86 C HIS A -13 9.137 -3.660 -6.425 1.00 9.17 C ATOM 87 O HIS A -13 8.517 -2.865 -5.716 1.00 9.24 O ATOM 88 CB HIS A -13 10.331 -2.736 -8.426 1.00 10.33 C ATOM 89 CG HIS A -13 11.601 -2.210 -9.030 1.00 10.72 C ATOM 90 ND1 HIS A -13 11.739 -0.919 -9.492 1.00 11.23 N ATOM 91 CD2 HIS A -13 12.791 -2.814 -9.260 1.00 10.91 C ATOM 92 CE1 HIS A -13 12.953 -0.754 -9.980 1.00 11.69 C ATOM 93 NE2 HIS A -13 13.611 -1.889 -9.850 1.00 11.52 N ATOM 0 H HIS A -13 11.305 -5.035 -7.852 1.00 10.29 H new ATOM 0 HA HIS A -13 10.950 -2.524 -6.386 1.00 9.83 H new ATOM 0 HB2 HIS A -13 9.933 -3.520 -9.070 1.00 10.33 H new ATOM 0 HB3 HIS A -13 9.592 -1.935 -8.406 1.00 10.33 H new ATOM 0 HD2 HIS A -13 13.046 -3.836 -9.022 1.00 10.91 H new ATOM 0 HE1 HIS A -13 13.342 0.156 -10.413 1.00 11.69 H new ATOM 0 HE2 HIS A -13 14.575 -2.052 -10.142 1.00 11.52 H new ATOM 102 N HIS A -12 8.687 -4.872 -6.728 1.00 8.78 N ATOM 103 CA HIS A -12 7.438 -5.388 -6.186 1.00 8.39 C ATOM 104 C HIS A -12 7.688 -5.996 -4.810 1.00 7.80 C ATOM 105 O HIS A -12 6.874 -5.860 -3.896 1.00 7.91 O ATOM 106 CB HIS A -12 6.843 -6.432 -7.142 1.00 8.72 C ATOM 107 CG HIS A -12 5.564 -7.062 -6.665 1.00 8.98 C ATOM 108 ND1 HIS A -12 4.316 -6.619 -7.042 1.00 9.31 N ATOM 109 CD2 HIS A -12 5.351 -8.124 -5.851 1.00 9.28 C ATOM 110 CE1 HIS A -12 3.393 -7.380 -6.482 1.00 9.77 C ATOM 111 NE2 HIS A -12 3.994 -8.302 -5.754 1.00 9.76 N ATOM 0 H HIS A -12 9.173 -5.518 -7.350 1.00 8.78 H new ATOM 0 HA HIS A -12 6.723 -4.572 -6.082 1.00 8.39 H new ATOM 0 HB2 HIS A -12 6.662 -5.959 -8.107 1.00 8.72 H new ATOM 0 HB3 HIS A -12 7.581 -7.218 -7.305 1.00 8.72 H new ATOM 0 HD2 HIS A -12 6.110 -8.721 -5.367 1.00 9.28 H new ATOM 0 HE1 HIS A -12 2.325 -7.267 -6.600 1.00 9.77 H new ATOM 0 HE2 HIS A -12 3.527 -9.027 -5.209 1.00 9.76 H new ATOM 120 N HIS A -11 8.822 -6.669 -4.675 1.00 7.48 N ATOM 121 CA HIS A -11 9.219 -7.253 -3.401 1.00 7.19 C ATOM 122 C HIS A -11 10.037 -6.251 -2.604 1.00 6.46 C ATOM 123 O HIS A -11 11.214 -6.029 -2.902 1.00 6.49 O ATOM 124 CB HIS A -11 10.034 -8.534 -3.607 1.00 7.84 C ATOM 125 CG HIS A -11 9.258 -9.670 -4.197 1.00 8.37 C ATOM 126 ND1 HIS A -11 8.251 -10.326 -3.525 1.00 8.98 N ATOM 127 CD2 HIS A -11 9.356 -10.277 -5.403 1.00 8.69 C ATOM 128 CE1 HIS A -11 7.765 -11.285 -4.289 1.00 9.59 C ATOM 129 NE2 HIS A -11 8.418 -11.278 -5.436 1.00 9.44 N ATOM 0 H HIS A -11 9.485 -6.825 -5.434 1.00 7.48 H new ATOM 0 HA HIS A -11 8.313 -7.508 -2.851 1.00 7.19 H new ATOM 0 HB2 HIS A -11 10.880 -8.312 -4.257 1.00 7.84 H new ATOM 0 HB3 HIS A -11 10.443 -8.849 -2.647 1.00 7.84 H new ATOM 0 HD2 HIS A -11 10.046 -10.021 -6.194 1.00 8.69 H new ATOM 0 HE1 HIS A -11 6.967 -11.962 -4.021 1.00 9.59 H new ATOM 0 HE2 HIS A -11 8.253 -11.912 -6.218 1.00 9.44 H new ATOM 138 N SER A -10 9.403 -5.652 -1.596 1.00 6.16 N ATOM 139 CA SER A -10 10.029 -4.626 -0.768 1.00 5.80 C ATOM 140 C SER A -10 10.306 -3.365 -1.591 1.00 5.14 C ATOM 141 O SER A -10 9.824 -3.242 -2.720 1.00 5.44 O ATOM 142 CB SER A -10 11.317 -5.161 -0.131 1.00 6.45 C ATOM 143 OG SER A -10 11.058 -6.342 0.613 1.00 7.05 O ATOM 0 H SER A -10 8.441 -5.866 -1.332 1.00 6.16 H new ATOM 0 HA SER A -10 9.340 -4.360 0.034 1.00 5.80 H new ATOM 0 HB2 SER A -10 12.053 -5.369 -0.908 1.00 6.45 H new ATOM 0 HB3 SER A -10 11.748 -4.402 0.522 1.00 6.45 H new ATOM 0 HG SER A -10 11.893 -6.668 1.010 1.00 7.05 H new ATOM 149 N SER A -9 11.045 -2.423 -1.000 1.00 4.65 N ATOM 150 CA SER A -9 11.421 -1.165 -1.654 1.00 4.40 C ATOM 151 C SER A -9 10.234 -0.202 -1.768 1.00 3.47 C ATOM 152 O SER A -9 10.318 0.945 -1.324 1.00 3.79 O ATOM 153 CB SER A -9 12.025 -1.426 -3.038 1.00 5.30 C ATOM 154 OG SER A -9 13.093 -2.358 -2.967 1.00 6.01 O ATOM 0 H SER A -9 11.402 -2.511 -0.049 1.00 4.65 H new ATOM 0 HA SER A -9 12.175 -0.692 -1.025 1.00 4.40 H new ATOM 0 HB2 SER A -9 11.253 -1.804 -3.708 1.00 5.30 H new ATOM 0 HB3 SER A -9 12.385 -0.489 -3.463 1.00 5.30 H new ATOM 0 HG SER A -9 12.968 -3.052 -3.648 1.00 6.01 H new ATOM 160 N GLY A -8 9.134 -0.675 -2.348 1.00 2.88 N ATOM 161 CA GLY A -8 7.977 0.173 -2.594 1.00 2.53 C ATOM 162 C GLY A -8 7.367 0.743 -1.327 1.00 2.03 C ATOM 163 O GLY A -8 6.723 1.795 -1.361 1.00 2.46 O ATOM 0 H GLY A -8 9.022 -1.641 -2.655 1.00 2.88 H new ATOM 0 HA2 GLY A -8 8.270 0.994 -3.248 1.00 2.53 H new ATOM 0 HA3 GLY A -8 7.220 -0.403 -3.125 1.00 2.53 H new ATOM 167 N LEU A -7 7.581 0.064 -0.204 1.00 1.44 N ATOM 168 CA LEU A -7 7.024 0.496 1.075 1.00 1.02 C ATOM 169 C LEU A -7 7.839 1.651 1.669 1.00 1.01 C ATOM 170 O LEU A -7 8.220 1.634 2.838 1.00 1.40 O ATOM 171 CB LEU A -7 6.934 -0.685 2.065 1.00 0.97 C ATOM 172 CG LEU A -7 8.260 -1.259 2.589 1.00 1.54 C ATOM 173 CD1 LEU A -7 8.015 -2.096 3.836 1.00 2.25 C ATOM 174 CD2 LEU A -7 8.947 -2.105 1.531 1.00 2.06 C ATOM 0 H LEU A -7 8.137 -0.789 -0.153 1.00 1.44 H new ATOM 0 HA LEU A -7 6.013 0.860 0.894 1.00 1.02 H new ATOM 0 HB2 LEU A -7 6.342 -0.364 2.922 1.00 0.97 H new ATOM 0 HB3 LEU A -7 6.383 -1.492 1.581 1.00 0.97 H new ATOM 0 HG LEU A -7 8.912 -0.422 2.838 1.00 1.54 H new ATOM 0 HD11 LEU A -7 8.962 -2.497 4.197 1.00 2.25 H new ATOM 0 HD12 LEU A -7 7.566 -1.473 4.610 1.00 2.25 H new ATOM 0 HD13 LEU A -7 7.341 -2.918 3.596 1.00 2.25 H new ATOM 0 HD21 LEU A -7 9.882 -2.498 1.930 1.00 2.06 H new ATOM 0 HD22 LEU A -7 8.297 -2.933 1.249 1.00 2.06 H new ATOM 0 HD23 LEU A -7 9.156 -1.492 0.654 1.00 2.06 H new ATOM 186 N GLU A -6 8.066 2.669 0.850 1.00 1.01 N ATOM 187 CA GLU A -6 8.898 3.804 1.220 1.00 1.15 C ATOM 188 C GLU A -6 8.123 4.799 2.094 1.00 1.03 C ATOM 189 O GLU A -6 8.709 5.703 2.695 1.00 1.77 O ATOM 190 CB GLU A -6 9.419 4.474 -0.059 1.00 1.65 C ATOM 191 CG GLU A -6 10.410 5.603 0.174 1.00 2.27 C ATOM 192 CD GLU A -6 11.051 6.085 -1.113 1.00 2.92 C ATOM 193 OE1 GLU A -6 12.287 5.942 -1.256 1.00 3.35 O ATOM 194 OE2 GLU A -6 10.325 6.592 -1.995 1.00 3.44 O ATOM 0 H GLU A -6 7.677 2.730 -0.091 1.00 1.01 H new ATOM 0 HA GLU A -6 9.743 3.455 1.813 1.00 1.15 H new ATOM 0 HB2 GLU A -6 9.893 3.716 -0.683 1.00 1.65 H new ATOM 0 HB3 GLU A -6 8.570 4.864 -0.620 1.00 1.65 H new ATOM 0 HG2 GLU A -6 9.900 6.437 0.657 1.00 2.27 H new ATOM 0 HG3 GLU A -6 11.187 5.265 0.859 1.00 2.27 H new ATOM 201 N VAL A -5 6.807 4.621 2.177 1.00 0.68 N ATOM 202 CA VAL A -5 5.974 5.483 3.009 1.00 0.59 C ATOM 203 C VAL A -5 6.134 5.116 4.491 1.00 0.89 C ATOM 204 O VAL A -5 5.367 4.337 5.058 1.00 1.67 O ATOM 205 CB VAL A -5 4.480 5.433 2.580 1.00 0.46 C ATOM 206 CG1 VAL A -5 3.926 4.017 2.621 1.00 0.71 C ATOM 207 CG2 VAL A -5 3.642 6.370 3.431 1.00 0.85 C ATOM 0 H VAL A -5 6.297 3.891 1.680 1.00 0.68 H new ATOM 0 HA VAL A -5 6.314 6.509 2.867 1.00 0.59 H new ATOM 0 HB VAL A -5 4.427 5.770 1.545 1.00 0.46 H new ATOM 0 HG11 VAL A -5 2.880 4.026 2.314 1.00 0.71 H new ATOM 0 HG12 VAL A -5 4.497 3.383 1.943 1.00 0.71 H new ATOM 0 HG13 VAL A -5 4.003 3.625 3.635 1.00 0.71 H new ATOM 0 HG21 VAL A -5 2.601 6.318 3.112 1.00 0.85 H new ATOM 0 HG22 VAL A -5 3.716 6.075 4.478 1.00 0.85 H new ATOM 0 HG23 VAL A -5 4.006 7.391 3.315 1.00 0.85 H new ATOM 217 N LEU A -4 7.155 5.677 5.113 1.00 0.83 N ATOM 218 CA LEU A -4 7.445 5.398 6.514 1.00 1.12 C ATOM 219 C LEU A -4 6.842 6.457 7.430 1.00 1.15 C ATOM 220 O LEU A -4 7.280 6.630 8.566 1.00 1.67 O ATOM 221 CB LEU A -4 8.964 5.282 6.729 1.00 1.58 C ATOM 222 CG LEU A -4 9.832 6.331 6.013 1.00 2.31 C ATOM 223 CD1 LEU A -4 9.672 7.712 6.633 1.00 3.12 C ATOM 224 CD2 LEU A -4 11.293 5.908 6.033 1.00 2.85 C ATOM 0 H LEU A -4 7.801 6.331 4.671 1.00 0.83 H new ATOM 0 HA LEU A -4 6.983 4.445 6.773 1.00 1.12 H new ATOM 0 HB2 LEU A -4 9.165 5.343 7.799 1.00 1.58 H new ATOM 0 HB3 LEU A -4 9.282 4.292 6.401 1.00 1.58 H new ATOM 0 HG LEU A -4 9.492 6.393 4.979 1.00 2.31 H new ATOM 0 HD11 LEU A -4 10.301 8.425 6.100 1.00 3.12 H new ATOM 0 HD12 LEU A -4 8.630 8.024 6.563 1.00 3.12 H new ATOM 0 HD13 LEU A -4 9.971 7.677 7.681 1.00 3.12 H new ATOM 0 HD21 LEU A -4 11.896 6.659 5.523 1.00 2.85 H new ATOM 0 HD22 LEU A -4 11.630 5.812 7.065 1.00 2.85 H new ATOM 0 HD23 LEU A -4 11.401 4.950 5.525 1.00 2.85 H new ATOM 236 N PHE A -3 5.828 7.156 6.938 1.00 1.03 N ATOM 237 CA PHE A -3 5.194 8.216 7.706 1.00 1.19 C ATOM 238 C PHE A -3 3.678 8.049 7.725 1.00 1.23 C ATOM 239 O PHE A -3 3.088 7.557 6.761 1.00 2.17 O ATOM 240 CB PHE A -3 5.571 9.590 7.134 1.00 1.32 C ATOM 241 CG PHE A -3 5.217 9.770 5.683 1.00 1.09 C ATOM 242 CD1 PHE A -3 6.111 9.409 4.686 1.00 1.05 C ATOM 243 CD2 PHE A -3 3.990 10.296 5.316 1.00 1.27 C ATOM 244 CE1 PHE A -3 5.788 9.574 3.353 1.00 1.10 C ATOM 245 CE2 PHE A -3 3.662 10.462 3.985 1.00 1.30 C ATOM 246 CZ PHE A -3 4.566 10.099 3.001 1.00 1.15 C ATOM 0 H PHE A -3 5.428 7.007 6.011 1.00 1.03 H new ATOM 0 HA PHE A -3 5.555 8.151 8.732 1.00 1.19 H new ATOM 0 HB2 PHE A -3 5.072 10.364 7.717 1.00 1.32 H new ATOM 0 HB3 PHE A -3 6.644 9.741 7.257 1.00 1.32 H new ATOM 0 HD1 PHE A -3 7.071 8.994 4.955 1.00 1.05 H new ATOM 0 HD2 PHE A -3 3.281 10.580 6.080 1.00 1.27 H new ATOM 0 HE1 PHE A -3 6.495 9.291 2.587 1.00 1.10 H new ATOM 0 HE2 PHE A -3 2.702 10.874 3.712 1.00 1.30 H new ATOM 0 HZ PHE A -3 4.312 10.228 1.959 1.00 1.15 H new ATOM 256 N GLN A -2 3.065 8.447 8.838 1.00 0.89 N ATOM 257 CA GLN A -2 1.609 8.435 8.993 1.00 0.86 C ATOM 258 C GLN A -2 1.014 7.059 8.689 1.00 1.00 C ATOM 259 O GLN A -2 0.323 6.884 7.684 1.00 1.69 O ATOM 260 CB GLN A -2 0.958 9.490 8.086 1.00 1.18 C ATOM 261 CG GLN A -2 1.435 10.912 8.343 1.00 1.89 C ATOM 262 CD GLN A -2 1.156 11.379 9.757 1.00 2.22 C ATOM 263 OE1 GLN A -2 1.988 11.222 10.650 1.00 2.74 O ATOM 264 NE2 GLN A -2 -0.014 11.955 9.973 1.00 2.71 N ATOM 0 H GLN A -2 3.563 8.788 9.660 1.00 0.89 H new ATOM 0 HA GLN A -2 1.398 8.673 10.035 1.00 0.86 H new ATOM 0 HB2 GLN A -2 1.160 9.233 7.046 1.00 1.18 H new ATOM 0 HB3 GLN A -2 -0.123 9.451 8.220 1.00 1.18 H new ATOM 0 HG2 GLN A -2 2.506 10.971 8.151 1.00 1.89 H new ATOM 0 HG3 GLN A -2 0.947 11.587 7.640 1.00 1.89 H new ATOM 0 HE21 GLN A -2 -0.677 12.067 9.206 1.00 2.71 H new ATOM 0 HE22 GLN A -2 -0.254 12.288 10.907 1.00 2.71 H new ATOM 273 N GLY A -1 1.286 6.082 9.545 1.00 0.85 N ATOM 274 CA GLY A -1 0.725 4.761 9.345 1.00 1.20 C ATOM 275 C GLY A -1 1.301 3.713 10.275 1.00 0.93 C ATOM 276 O GLY A -1 2.501 3.721 10.555 1.00 1.43 O ATOM 0 H GLY A -1 1.881 6.180 10.368 1.00 0.85 H new ATOM 0 HA2 GLY A -1 -0.355 4.808 9.488 1.00 1.20 H new ATOM 0 HA3 GLY A -1 0.897 4.454 8.313 1.00 1.20 H new ATOM 280 N PRO A 0 0.452 2.805 10.780 1.00 0.95 N ATOM 281 CA PRO A 0 0.880 1.674 11.606 1.00 1.19 C ATOM 282 C PRO A 0 1.295 0.469 10.758 1.00 1.08 C ATOM 283 O PRO A 0 1.642 0.613 9.584 1.00 1.62 O ATOM 284 CB PRO A 0 -0.383 1.360 12.403 1.00 1.86 C ATOM 285 CG PRO A 0 -1.504 1.701 11.481 1.00 2.08 C ATOM 286 CD PRO A 0 -1.013 2.822 10.598 1.00 1.60 C ATOM 0 HA PRO A 0 1.753 1.901 12.219 1.00 1.19 H new ATOM 0 HB2 PRO A 0 -0.416 0.311 12.696 1.00 1.86 H new ATOM 0 HB3 PRO A 0 -0.430 1.949 13.319 1.00 1.86 H new ATOM 0 HG2 PRO A 0 -1.791 0.835 10.884 1.00 2.08 H new ATOM 0 HG3 PRO A 0 -2.387 2.008 12.042 1.00 2.08 H new ATOM 0 HD2 PRO A 0 -1.288 2.659 9.556 1.00 1.60 H new ATOM 0 HD3 PRO A 0 -1.441 3.780 10.894 1.00 1.60 H new ATOM 294 N ARG A 1 1.264 -0.715 11.359 1.00 1.01 N ATOM 295 CA ARG A 1 1.605 -1.941 10.652 1.00 1.19 C ATOM 296 C ARG A 1 0.755 -3.101 11.183 1.00 0.86 C ATOM 297 O ARG A 1 0.081 -2.963 12.205 1.00 1.02 O ATOM 298 CB ARG A 1 3.102 -2.238 10.821 1.00 1.95 C ATOM 299 CG ARG A 1 3.637 -3.317 9.889 1.00 2.38 C ATOM 300 CD ARG A 1 5.123 -3.555 10.106 1.00 3.12 C ATOM 301 NE ARG A 1 5.415 -3.980 11.474 1.00 3.69 N ATOM 302 CZ ARG A 1 6.565 -4.533 11.856 1.00 4.54 C ATOM 303 NH1 ARG A 1 7.542 -4.722 10.980 1.00 4.90 N ATOM 304 NH2 ARG A 1 6.737 -4.890 13.120 1.00 5.35 N ATOM 0 H ARG A 1 1.005 -0.851 12.336 1.00 1.01 H new ATOM 0 HA ARG A 1 1.395 -1.819 9.589 1.00 1.19 H new ATOM 0 HB2 ARG A 1 3.664 -1.319 10.654 1.00 1.95 H new ATOM 0 HB3 ARG A 1 3.286 -2.541 11.852 1.00 1.95 H new ATOM 0 HG2 ARG A 1 3.091 -4.246 10.055 1.00 2.38 H new ATOM 0 HG3 ARG A 1 3.462 -3.024 8.854 1.00 2.38 H new ATOM 0 HD2 ARG A 1 5.474 -4.314 9.408 1.00 3.12 H new ATOM 0 HD3 ARG A 1 5.673 -2.640 9.885 1.00 3.12 H new ATOM 0 HE ARG A 1 4.692 -3.844 12.181 1.00 3.69 H new ATOM 0 HH11 ARG A 1 7.416 -4.443 10.007 1.00 4.90 H new ATOM 0 HH12 ARG A 1 8.420 -5.146 11.279 1.00 4.90 H new ATOM 0 HH21 ARG A 1 5.990 -4.741 13.798 1.00 5.35 H new ATOM 0 HH22 ARG A 1 7.617 -5.314 13.415 1.00 5.35 H new ATOM 318 N ARG A 2 0.776 -4.227 10.478 1.00 0.78 N ATOM 319 CA ARG A 2 0.033 -5.418 10.881 1.00 0.56 C ATOM 320 C ARG A 2 0.571 -6.611 10.087 1.00 0.65 C ATOM 321 O ARG A 2 1.478 -6.443 9.268 1.00 1.49 O ATOM 322 CB ARG A 2 -1.484 -5.232 10.632 1.00 0.50 C ATOM 323 CG ARG A 2 -2.362 -6.164 11.433 1.00 0.88 C ATOM 324 CD ARG A 2 -2.356 -5.820 12.917 1.00 1.32 C ATOM 325 NE ARG A 2 -3.278 -4.731 13.239 1.00 1.72 N ATOM 326 CZ ARG A 2 -3.114 -3.889 14.261 1.00 2.37 C ATOM 327 NH1 ARG A 2 -2.013 -3.941 15.003 1.00 2.94 N ATOM 328 NH2 ARG A 2 -4.049 -2.986 14.533 1.00 2.90 N ATOM 0 H ARG A 2 1.306 -4.341 9.614 1.00 0.78 H new ATOM 0 HA ARG A 2 0.166 -5.593 11.949 1.00 0.56 H new ATOM 0 HB2 ARG A 2 -1.756 -4.203 10.867 1.00 0.50 H new ATOM 0 HB3 ARG A 2 -1.688 -5.381 9.572 1.00 0.50 H new ATOM 0 HG2 ARG A 2 -3.383 -6.116 11.054 1.00 0.88 H new ATOM 0 HG3 ARG A 2 -2.020 -7.190 11.297 1.00 0.88 H new ATOM 0 HD2 ARG A 2 -2.627 -6.704 13.494 1.00 1.32 H new ATOM 0 HD3 ARG A 2 -1.347 -5.540 13.218 1.00 1.32 H new ATOM 0 HE ARG A 2 -4.098 -4.608 12.645 1.00 1.72 H new ATOM 0 HH11 ARG A 2 -1.288 -4.627 14.792 1.00 2.94 H new ATOM 0 HH12 ARG A 2 -1.893 -3.295 15.783 1.00 2.94 H new ATOM 0 HH21 ARG A 2 -4.892 -2.936 13.961 1.00 2.90 H new ATOM 0 HH22 ARG A 2 -3.924 -2.342 15.314 1.00 2.90 H new ATOM 342 N ALA A 3 0.054 -7.807 10.344 1.00 0.64 N ATOM 343 CA ALA A 3 0.368 -8.965 9.514 1.00 0.58 C ATOM 344 C ALA A 3 -0.872 -9.866 9.409 1.00 0.60 C ATOM 345 O ALA A 3 -1.804 -9.696 10.199 1.00 1.09 O ATOM 346 CB ALA A 3 1.560 -9.747 10.065 1.00 0.69 C ATOM 0 H ALA A 3 -0.582 -8.000 11.117 1.00 0.64 H new ATOM 0 HA ALA A 3 0.648 -8.614 8.521 1.00 0.58 H new ATOM 0 HB1 ALA A 3 1.764 -10.602 9.420 1.00 0.69 H new ATOM 0 HB2 ALA A 3 2.436 -9.100 10.097 1.00 0.69 H new ATOM 0 HB3 ALA A 3 1.331 -10.098 11.071 1.00 0.69 H new ATOM 352 N GLY A 4 -0.892 -10.828 8.467 1.00 0.44 N ATOM 353 CA GLY A 4 -2.093 -11.621 8.243 1.00 0.52 C ATOM 354 C GLY A 4 -3.330 -10.757 8.046 1.00 0.39 C ATOM 355 O GLY A 4 -4.386 -11.039 8.615 1.00 0.54 O ATOM 0 H GLY A 4 -0.103 -11.064 7.865 1.00 0.44 H new ATOM 0 HA2 GLY A 4 -1.950 -12.252 7.366 1.00 0.52 H new ATOM 0 HA3 GLY A 4 -2.249 -12.286 9.092 1.00 0.52 H new ATOM 359 N THR A 5 -3.201 -9.695 7.260 1.00 0.26 N ATOM 360 CA THR A 5 -4.284 -8.740 7.081 1.00 0.18 C ATOM 361 C THR A 5 -4.682 -8.647 5.609 1.00 0.14 C ATOM 362 O THR A 5 -4.090 -9.316 4.764 1.00 0.15 O ATOM 363 CB THR A 5 -3.853 -7.352 7.605 1.00 0.25 C ATOM 364 OG1 THR A 5 -2.833 -7.521 8.596 1.00 0.38 O ATOM 365 CG2 THR A 5 -5.027 -6.594 8.234 1.00 0.34 C ATOM 0 H THR A 5 -2.354 -9.474 6.736 1.00 0.26 H new ATOM 0 HA THR A 5 -5.149 -9.083 7.649 1.00 0.18 H new ATOM 0 HB THR A 5 -3.484 -6.773 6.758 1.00 0.25 H new ATOM 0 HG1 THR A 5 -1.976 -7.203 8.241 1.00 0.38 H new ATOM 0 HG21 THR A 5 -4.684 -5.623 8.591 1.00 0.34 H new ATOM 0 HG22 THR A 5 -5.809 -6.451 7.488 1.00 0.34 H new ATOM 0 HG23 THR A 5 -5.424 -7.168 9.071 1.00 0.34 H new ATOM 373 N CYS A 6 -5.695 -7.840 5.307 1.00 0.15 N ATOM 374 CA CYS A 6 -6.149 -7.656 3.933 1.00 0.14 C ATOM 375 C CYS A 6 -6.347 -6.186 3.611 1.00 0.13 C ATOM 376 O CYS A 6 -6.661 -5.383 4.492 1.00 0.15 O ATOM 377 CB CYS A 6 -7.449 -8.419 3.702 1.00 0.17 C ATOM 378 SG CYS A 6 -8.362 -8.801 5.217 1.00 0.86 S ATOM 0 H CYS A 6 -6.218 -7.302 5.998 1.00 0.15 H new ATOM 0 HA CYS A 6 -5.378 -8.048 3.270 1.00 0.14 H new ATOM 0 HB2 CYS A 6 -8.089 -7.833 3.043 1.00 0.17 H new ATOM 0 HB3 CYS A 6 -7.224 -9.350 3.182 1.00 0.17 H new ATOM 0 HG CYS A 6 -9.450 -9.447 4.917 1.00 0.86 H new ATOM 384 N CYS A 7 -6.166 -5.838 2.341 1.00 0.12 N ATOM 385 CA CYS A 7 -6.170 -4.441 1.947 1.00 0.11 C ATOM 386 C CYS A 7 -7.592 -3.939 1.687 1.00 0.10 C ATOM 387 O CYS A 7 -8.303 -4.492 0.852 1.00 0.10 O ATOM 388 CB CYS A 7 -5.263 -4.207 0.733 1.00 0.14 C ATOM 389 SG CYS A 7 -5.073 -2.465 0.331 1.00 0.21 S ATOM 0 H CYS A 7 -6.017 -6.498 1.578 1.00 0.12 H new ATOM 0 HA CYS A 7 -5.767 -3.861 2.777 1.00 0.11 H new ATOM 0 HB2 CYS A 7 -4.282 -4.639 0.930 1.00 0.14 H new ATOM 0 HB3 CYS A 7 -5.675 -4.731 -0.129 1.00 0.14 H new ATOM 394 N ALA A 8 -7.984 -2.883 2.419 1.00 0.13 N ATOM 395 CA ALA A 8 -9.293 -2.223 2.295 1.00 0.17 C ATOM 396 C ALA A 8 -9.520 -1.582 0.934 1.00 0.21 C ATOM 397 O ALA A 8 -10.309 -0.648 0.798 1.00 0.31 O ATOM 398 CB ALA A 8 -9.430 -1.144 3.354 1.00 0.18 C ATOM 0 H ALA A 8 -7.387 -2.456 3.128 1.00 0.13 H new ATOM 0 HA ALA A 8 -10.039 -3.007 2.424 1.00 0.17 H new ATOM 0 HB1 ALA A 8 -10.402 -0.660 3.256 1.00 0.18 H new ATOM 0 HB2 ALA A 8 -9.346 -1.593 4.344 1.00 0.18 H new ATOM 0 HB3 ALA A 8 -8.641 -0.404 3.223 1.00 0.18 H new ATOM 404 N ASN A 9 -8.828 -2.065 -0.060 1.00 0.18 N ATOM 405 CA ASN A 9 -8.943 -1.511 -1.391 1.00 0.23 C ATOM 406 C ASN A 9 -8.663 -2.559 -2.454 1.00 0.24 C ATOM 407 O ASN A 9 -9.450 -2.726 -3.381 1.00 0.32 O ATOM 408 CB ASN A 9 -7.996 -0.326 -1.572 1.00 0.26 C ATOM 409 CG ASN A 9 -8.127 0.283 -2.951 1.00 0.38 C ATOM 410 OD1 ASN A 9 -9.232 0.493 -3.448 1.00 0.53 O ATOM 411 ND2 ASN A 9 -7.002 0.518 -3.601 1.00 0.57 N ATOM 0 H ASN A 9 -8.175 -2.844 0.021 1.00 0.18 H new ATOM 0 HA ASN A 9 -9.970 -1.165 -1.509 1.00 0.23 H new ATOM 0 HB2 ASN A 9 -8.210 0.431 -0.817 1.00 0.26 H new ATOM 0 HB3 ASN A 9 -6.968 -0.653 -1.414 1.00 0.26 H new ATOM 0 HD21 ASN A 9 -7.030 0.887 -4.551 1.00 0.57 H new ATOM 0 HD22 ASN A 9 -6.105 0.330 -3.153 1.00 0.57 H new ATOM 418 N CYS A 10 -7.554 -3.286 -2.325 1.00 0.21 N ATOM 419 CA CYS A 10 -7.151 -4.182 -3.402 1.00 0.28 C ATOM 420 C CYS A 10 -7.047 -5.645 -2.921 1.00 0.22 C ATOM 421 O CYS A 10 -6.580 -6.518 -3.648 1.00 0.31 O ATOM 422 CB CYS A 10 -5.840 -3.665 -4.020 1.00 0.52 C ATOM 423 SG CYS A 10 -4.361 -3.957 -3.033 1.00 0.76 S ATOM 0 H CYS A 10 -6.937 -3.274 -1.513 1.00 0.21 H new ATOM 0 HA CYS A 10 -7.918 -4.185 -4.176 1.00 0.28 H new ATOM 0 HB2 CYS A 10 -5.706 -4.135 -4.994 1.00 0.52 H new ATOM 0 HB3 CYS A 10 -5.936 -2.593 -4.193 1.00 0.52 H new ATOM 428 N GLN A 11 -7.518 -5.875 -1.689 1.00 0.18 N ATOM 429 CA GLN A 11 -7.569 -7.203 -1.025 1.00 0.21 C ATOM 430 C GLN A 11 -6.272 -8.028 -1.119 1.00 0.26 C ATOM 431 O GLN A 11 -6.286 -9.220 -0.812 1.00 0.34 O ATOM 432 CB GLN A 11 -8.746 -8.055 -1.548 1.00 0.24 C ATOM 433 CG GLN A 11 -9.264 -9.051 -0.524 1.00 0.74 C ATOM 434 CD GLN A 11 -10.461 -9.833 -1.019 1.00 1.26 C ATOM 435 OE1 GLN A 11 -11.605 -9.418 -0.844 1.00 1.77 O ATOM 436 NE2 GLN A 11 -10.207 -10.976 -1.633 1.00 1.90 N ATOM 0 H GLN A 11 -7.887 -5.127 -1.102 1.00 0.18 H new ATOM 0 HA GLN A 11 -7.711 -6.962 0.029 1.00 0.21 H new ATOM 0 HB2 GLN A 11 -9.560 -7.394 -1.847 1.00 0.24 H new ATOM 0 HB3 GLN A 11 -8.428 -8.593 -2.441 1.00 0.24 H new ATOM 0 HG2 GLN A 11 -8.465 -9.745 -0.263 1.00 0.74 H new ATOM 0 HG3 GLN A 11 -9.535 -8.519 0.388 1.00 0.74 H new ATOM 0 HE21 GLN A 11 -9.243 -11.285 -1.758 1.00 1.90 H new ATOM 0 HE22 GLN A 11 -10.975 -11.549 -1.982 1.00 1.90 H new ATOM 445 N THR A 12 -5.161 -7.436 -1.537 1.00 0.25 N ATOM 446 CA THR A 12 -3.890 -8.123 -1.452 1.00 0.26 C ATOM 447 C THR A 12 -3.593 -8.441 0.004 1.00 0.21 C ATOM 448 O THR A 12 -4.002 -7.711 0.911 1.00 0.19 O ATOM 449 CB THR A 12 -2.714 -7.310 -2.046 1.00 0.28 C ATOM 450 OG1 THR A 12 -1.573 -8.162 -2.210 1.00 0.33 O ATOM 451 CG2 THR A 12 -2.332 -6.144 -1.140 1.00 0.24 C ATOM 0 H THR A 12 -5.118 -6.496 -1.932 1.00 0.25 H new ATOM 0 HA THR A 12 -3.978 -9.033 -2.046 1.00 0.26 H new ATOM 0 HB THR A 12 -3.034 -6.914 -3.010 1.00 0.28 H new ATOM 0 HG1 THR A 12 -0.831 -7.646 -2.588 1.00 0.33 H new ATOM 0 HG21 THR A 12 -1.503 -5.593 -1.585 1.00 0.24 H new ATOM 0 HG22 THR A 12 -3.188 -5.479 -1.022 1.00 0.24 H new ATOM 0 HG23 THR A 12 -2.031 -6.525 -0.164 1.00 0.24 H new ATOM 459 N THR A 13 -2.922 -9.544 0.212 1.00 0.22 N ATOM 460 CA THR A 13 -2.548 -9.967 1.547 1.00 0.23 C ATOM 461 C THR A 13 -1.057 -10.236 1.612 1.00 0.26 C ATOM 462 O THR A 13 -0.535 -10.742 2.607 1.00 0.42 O ATOM 463 CB THR A 13 -3.337 -11.212 1.980 1.00 0.28 C ATOM 464 OG1 THR A 13 -3.229 -12.241 0.984 1.00 0.33 O ATOM 465 CG2 THR A 13 -4.794 -10.851 2.194 1.00 0.28 C ATOM 0 H THR A 13 -2.619 -10.174 -0.530 1.00 0.22 H new ATOM 0 HA THR A 13 -2.793 -9.160 2.238 1.00 0.23 H new ATOM 0 HB THR A 13 -2.920 -11.584 2.916 1.00 0.28 H new ATOM 0 HG1 THR A 13 -3.734 -13.030 1.272 1.00 0.33 H new ATOM 0 HG21 THR A 13 -5.347 -11.738 2.501 1.00 0.28 H new ATOM 0 HG22 THR A 13 -4.870 -10.090 2.970 1.00 0.28 H new ATOM 0 HG23 THR A 13 -5.213 -10.465 1.265 1.00 0.28 H new ATOM 473 N THR A 14 -0.377 -9.863 0.543 1.00 0.22 N ATOM 474 CA THR A 14 1.065 -10.003 0.475 1.00 0.26 C ATOM 475 C THR A 14 1.705 -8.619 0.595 1.00 0.23 C ATOM 476 O THR A 14 2.265 -8.057 -0.346 1.00 0.36 O ATOM 477 CB THR A 14 1.549 -10.777 -0.795 1.00 0.38 C ATOM 478 OG1 THR A 14 2.952 -11.047 -0.693 1.00 1.26 O ATOM 479 CG2 THR A 14 1.281 -10.038 -2.109 1.00 1.04 C ATOM 0 H THR A 14 -0.802 -9.460 -0.292 1.00 0.22 H new ATOM 0 HA THR A 14 1.390 -10.621 1.312 1.00 0.26 H new ATOM 0 HB THR A 14 0.970 -11.700 -0.824 1.00 0.38 H new ATOM 0 HG1 THR A 14 3.250 -11.533 -1.490 1.00 1.26 H new ATOM 0 HG21 THR A 14 1.644 -10.637 -2.944 1.00 1.04 H new ATOM 0 HG22 THR A 14 0.210 -9.872 -2.221 1.00 1.04 H new ATOM 0 HG23 THR A 14 1.798 -9.079 -2.099 1.00 1.04 H new ATOM 487 N THR A 15 1.605 -8.072 1.789 1.00 0.17 N ATOM 488 CA THR A 15 2.056 -6.711 2.051 1.00 0.17 C ATOM 489 C THR A 15 2.680 -6.623 3.442 1.00 0.20 C ATOM 490 O THR A 15 2.205 -7.256 4.385 1.00 0.26 O ATOM 491 CB THR A 15 0.912 -5.672 1.921 1.00 0.20 C ATOM 492 OG1 THR A 15 0.162 -5.927 0.730 1.00 0.40 O ATOM 493 CG2 THR A 15 1.496 -4.277 1.849 1.00 0.29 C ATOM 0 H THR A 15 1.213 -8.549 2.601 1.00 0.17 H new ATOM 0 HA THR A 15 2.802 -6.470 1.294 1.00 0.17 H new ATOM 0 HB THR A 15 0.259 -5.752 2.790 1.00 0.20 H new ATOM 0 HG1 THR A 15 0.597 -5.489 -0.031 1.00 0.40 H new ATOM 0 HG21 THR A 15 0.690 -3.549 1.758 1.00 0.29 H new ATOM 0 HG22 THR A 15 2.067 -4.074 2.755 1.00 0.29 H new ATOM 0 HG23 THR A 15 2.153 -4.202 0.982 1.00 0.29 H new ATOM 501 N THR A 16 3.760 -5.864 3.557 1.00 0.25 N ATOM 502 CA THR A 16 4.479 -5.742 4.816 1.00 0.31 C ATOM 503 C THR A 16 4.151 -4.416 5.509 1.00 0.25 C ATOM 504 O THR A 16 4.503 -4.198 6.668 1.00 0.30 O ATOM 505 CB THR A 16 6.001 -5.832 4.571 1.00 0.43 C ATOM 506 OG1 THR A 16 6.276 -6.881 3.629 1.00 0.51 O ATOM 507 CG2 THR A 16 6.753 -6.104 5.863 1.00 0.54 C ATOM 0 H THR A 16 4.159 -5.322 2.791 1.00 0.25 H new ATOM 0 HA THR A 16 4.165 -6.561 5.463 1.00 0.31 H new ATOM 0 HB THR A 16 6.338 -4.874 4.174 1.00 0.43 H new ATOM 0 HG1 THR A 16 7.242 -6.936 3.473 1.00 0.51 H new ATOM 0 HG21 THR A 16 7.822 -6.162 5.657 1.00 0.54 H new ATOM 0 HG22 THR A 16 6.563 -5.297 6.571 1.00 0.54 H new ATOM 0 HG23 THR A 16 6.414 -7.048 6.289 1.00 0.54 H new ATOM 515 N LEU A 17 3.448 -3.543 4.803 1.00 0.21 N ATOM 516 CA LEU A 17 3.189 -2.192 5.314 1.00 0.21 C ATOM 517 C LEU A 17 1.698 -1.897 5.316 1.00 0.18 C ATOM 518 O LEU A 17 1.163 -1.329 4.364 1.00 0.29 O ATOM 519 CB LEU A 17 3.935 -1.160 4.461 1.00 0.35 C ATOM 520 CG LEU A 17 3.947 0.269 5.014 1.00 0.45 C ATOM 521 CD1 LEU A 17 4.280 0.258 6.491 1.00 0.79 C ATOM 522 CD2 LEU A 17 4.960 1.122 4.271 1.00 0.76 C ATOM 0 H LEU A 17 3.048 -3.736 3.885 1.00 0.21 H new ATOM 0 HA LEU A 17 3.550 -2.132 6.341 1.00 0.21 H new ATOM 0 HB2 LEU A 17 4.966 -1.492 4.339 1.00 0.35 H new ATOM 0 HB3 LEU A 17 3.486 -1.143 3.468 1.00 0.35 H new ATOM 0 HG LEU A 17 2.954 0.696 4.873 1.00 0.45 H new ATOM 0 HD11 LEU A 17 4.285 1.280 6.870 1.00 0.79 H new ATOM 0 HD12 LEU A 17 3.532 -0.325 7.028 1.00 0.79 H new ATOM 0 HD13 LEU A 17 5.263 -0.189 6.639 1.00 0.79 H new ATOM 0 HD21 LEU A 17 4.953 2.133 4.679 1.00 0.76 H new ATOM 0 HD22 LEU A 17 5.954 0.691 4.387 1.00 0.76 H new ATOM 0 HD23 LEU A 17 4.701 1.156 3.213 1.00 0.76 H new ATOM 534 N TRP A 18 1.028 -2.300 6.385 1.00 0.13 N ATOM 535 CA TRP A 18 -0.400 -2.089 6.497 1.00 0.11 C ATOM 536 C TRP A 18 -0.722 -0.730 7.137 1.00 0.12 C ATOM 537 O TRP A 18 -0.734 -0.590 8.358 1.00 0.18 O ATOM 538 CB TRP A 18 -1.063 -3.246 7.291 1.00 0.11 C ATOM 539 CG TRP A 18 -0.920 -4.581 6.616 1.00 0.10 C ATOM 540 CD1 TRP A 18 -0.006 -5.543 6.907 1.00 0.12 C ATOM 541 CD2 TRP A 18 -1.710 -5.103 5.541 1.00 0.08 C ATOM 542 NE1 TRP A 18 -0.183 -6.632 6.097 1.00 0.12 N ATOM 543 CE2 TRP A 18 -1.226 -6.389 5.253 1.00 0.09 C ATOM 544 CE3 TRP A 18 -2.780 -4.611 4.806 1.00 0.09 C ATOM 545 CZ2 TRP A 18 -1.776 -7.190 4.266 1.00 0.09 C ATOM 546 CZ3 TRP A 18 -3.340 -5.400 3.822 1.00 0.09 C ATOM 547 CH2 TRP A 18 -2.849 -6.677 3.559 1.00 0.08 C ATOM 0 H TRP A 18 1.452 -2.773 7.183 1.00 0.13 H new ATOM 0 HA TRP A 18 -0.814 -2.081 5.489 1.00 0.11 H new ATOM 0 HB2 TRP A 18 -0.618 -3.298 8.285 1.00 0.11 H new ATOM 0 HB3 TRP A 18 -2.122 -3.026 7.427 1.00 0.11 H new ATOM 0 HD1 TRP A 18 0.754 -5.460 7.670 1.00 0.12 H new ATOM 0 HE1 TRP A 18 0.374 -7.486 6.121 1.00 0.12 H new ATOM 0 HE3 TRP A 18 -3.169 -3.623 5.002 1.00 0.09 H new ATOM 0 HZ2 TRP A 18 -1.384 -8.174 4.057 1.00 0.09 H new ATOM 0 HZ3 TRP A 18 -4.172 -5.022 3.247 1.00 0.09 H new ATOM 0 HH2 TRP A 18 -3.314 -7.277 2.790 1.00 0.08 H new ATOM 558 N ARG A 19 -1.002 0.252 6.282 1.00 0.12 N ATOM 559 CA ARG A 19 -1.406 1.612 6.710 1.00 0.13 C ATOM 560 C ARG A 19 -2.925 1.672 6.880 1.00 0.13 C ATOM 561 O ARG A 19 -3.613 0.691 6.614 1.00 0.15 O ATOM 562 CB ARG A 19 -0.940 2.646 5.665 1.00 0.19 C ATOM 563 CG ARG A 19 -0.057 2.037 4.586 1.00 0.28 C ATOM 564 CD ARG A 19 0.931 3.044 4.019 1.00 0.29 C ATOM 565 NE ARG A 19 1.924 3.424 5.023 1.00 0.61 N ATOM 566 CZ ARG A 19 1.941 4.595 5.658 1.00 1.00 C ATOM 567 NH1 ARG A 19 1.027 5.520 5.388 1.00 2.03 N ATOM 568 NH2 ARG A 19 2.878 4.841 6.560 1.00 1.09 N ATOM 0 H ARG A 19 -0.958 0.138 5.269 1.00 0.12 H new ATOM 0 HA ARG A 19 -0.938 1.845 7.667 1.00 0.13 H new ATOM 0 HB2 ARG A 19 -1.813 3.103 5.199 1.00 0.19 H new ATOM 0 HB3 ARG A 19 -0.393 3.443 6.168 1.00 0.19 H new ATOM 0 HG2 ARG A 19 0.488 1.189 5.000 1.00 0.28 H new ATOM 0 HG3 ARG A 19 -0.683 1.651 3.781 1.00 0.28 H new ATOM 0 HD2 ARG A 19 1.432 2.618 3.150 1.00 0.29 H new ATOM 0 HD3 ARG A 19 0.397 3.930 3.677 1.00 0.29 H new ATOM 0 HE ARG A 19 2.652 2.747 5.252 1.00 0.61 H new ATOM 0 HH11 ARG A 19 0.306 5.336 4.691 1.00 2.03 H new ATOM 0 HH12 ARG A 19 1.046 6.414 5.878 1.00 2.03 H new ATOM 0 HH21 ARG A 19 3.584 4.135 6.767 1.00 1.09 H new ATOM 0 HH22 ARG A 19 2.894 5.737 7.048 1.00 1.09 H new ATOM 582 N ARG A 20 -3.441 2.788 7.386 1.00 0.15 N ATOM 583 CA ARG A 20 -4.877 2.978 7.508 1.00 0.17 C ATOM 584 C ARG A 20 -5.405 3.922 6.440 1.00 0.19 C ATOM 585 O ARG A 20 -4.701 4.828 5.993 1.00 0.25 O ATOM 586 CB ARG A 20 -5.236 3.549 8.879 1.00 0.28 C ATOM 587 CG ARG A 20 -5.066 2.583 10.028 1.00 1.13 C ATOM 588 CD ARG A 20 -5.184 1.129 9.600 1.00 1.98 C ATOM 589 NE ARG A 20 -4.838 0.217 10.689 1.00 2.63 N ATOM 590 CZ ARG A 20 -3.934 -0.757 10.588 1.00 3.24 C ATOM 591 NH1 ARG A 20 -3.334 -0.996 9.427 1.00 3.59 N ATOM 592 NH2 ARG A 20 -3.634 -1.492 11.651 1.00 3.90 N ATOM 0 H ARG A 20 -2.882 3.574 7.718 1.00 0.15 H new ATOM 0 HA ARG A 20 -5.337 1.998 7.382 1.00 0.17 H new ATOM 0 HB2 ARG A 20 -4.617 4.427 9.065 1.00 0.28 H new ATOM 0 HB3 ARG A 20 -6.272 3.888 8.857 1.00 0.28 H new ATOM 0 HG2 ARG A 20 -4.092 2.743 10.489 1.00 1.13 H new ATOM 0 HG3 ARG A 20 -5.817 2.795 10.789 1.00 1.13 H new ATOM 0 HD2 ARG A 20 -6.202 0.929 9.267 1.00 1.98 H new ATOM 0 HD3 ARG A 20 -4.528 0.945 8.749 1.00 1.98 H new ATOM 0 HE ARG A 20 -5.318 0.333 11.581 1.00 2.63 H new ATOM 0 HH11 ARG A 20 -3.565 -0.433 8.608 1.00 3.59 H new ATOM 0 HH12 ARG A 20 -2.643 -1.742 9.354 1.00 3.59 H new ATOM 0 HH21 ARG A 20 -4.095 -1.311 12.543 1.00 3.90 H new ATOM 0 HH22 ARG A 20 -2.943 -2.238 11.576 1.00 3.90 H new ATOM 606 N ASN A 21 -6.647 3.696 6.038 1.00 0.18 N ATOM 607 CA ASN A 21 -7.344 4.625 5.157 1.00 0.18 C ATOM 608 C ASN A 21 -8.160 5.603 6.012 1.00 0.17 C ATOM 609 O ASN A 21 -8.046 5.552 7.236 1.00 0.17 O ATOM 610 CB ASN A 21 -8.260 3.909 4.143 1.00 0.19 C ATOM 611 CG ASN A 21 -9.539 3.329 4.747 1.00 0.17 C ATOM 612 OD1 ASN A 21 -9.859 3.530 5.922 1.00 0.18 O ATOM 613 ND2 ASN A 21 -10.295 2.612 3.941 1.00 0.20 N ATOM 0 H ASN A 21 -7.194 2.878 6.307 1.00 0.18 H new ATOM 0 HA ASN A 21 -6.595 5.161 4.574 1.00 0.18 H new ATOM 0 HB2 ASN A 21 -8.531 4.613 3.356 1.00 0.19 H new ATOM 0 HB3 ASN A 21 -7.698 3.103 3.670 1.00 0.19 H new ATOM 0 HD21 ASN A 21 -11.167 2.209 4.284 1.00 0.20 H new ATOM 0 HD22 ASN A 21 -10.009 2.460 2.974 1.00 0.20 H new ATOM 620 N ALA A 22 -9.048 6.403 5.393 1.00 0.19 N ATOM 621 CA ALA A 22 -9.707 7.520 6.078 1.00 0.24 C ATOM 622 C ALA A 22 -10.426 7.118 7.370 1.00 0.26 C ATOM 623 O ALA A 22 -10.526 7.917 8.302 1.00 0.36 O ATOM 624 CB ALA A 22 -10.693 8.196 5.139 1.00 0.29 C ATOM 0 H ALA A 22 -9.323 6.292 4.417 1.00 0.19 H new ATOM 0 HA ALA A 22 -8.912 8.209 6.365 1.00 0.24 H new ATOM 0 HB1 ALA A 22 -11.178 9.024 5.656 1.00 0.29 H new ATOM 0 HB2 ALA A 22 -10.162 8.574 4.265 1.00 0.29 H new ATOM 0 HB3 ALA A 22 -11.447 7.475 4.822 1.00 0.29 H new ATOM 630 N ASN A 23 -10.903 5.885 7.450 1.00 0.25 N ATOM 631 CA ASN A 23 -11.719 5.474 8.577 1.00 0.33 C ATOM 632 C ASN A 23 -10.911 4.541 9.460 1.00 0.24 C ATOM 633 O ASN A 23 -11.418 3.951 10.416 1.00 0.35 O ATOM 634 CB ASN A 23 -12.999 4.801 8.094 1.00 0.51 C ATOM 635 CG ASN A 23 -14.122 4.843 9.126 1.00 0.85 C ATOM 636 OD1 ASN A 23 -13.911 5.230 10.275 1.00 1.16 O ATOM 637 ND2 ASN A 23 -15.320 4.414 8.737 1.00 1.61 N ATOM 0 H ASN A 23 -10.740 5.158 6.753 1.00 0.25 H new ATOM 0 HA ASN A 23 -12.008 6.350 9.157 1.00 0.33 H new ATOM 0 HB2 ASN A 23 -13.336 5.288 7.179 1.00 0.51 H new ATOM 0 HB3 ASN A 23 -12.784 3.763 7.842 1.00 0.51 H new ATOM 0 HD21 ASN A 23 -16.096 4.399 9.399 1.00 1.61 H new ATOM 0 HD22 ASN A 23 -15.462 4.100 7.777 1.00 1.61 H new ATOM 644 N GLY A 24 -9.632 4.420 9.129 1.00 0.17 N ATOM 645 CA GLY A 24 -8.743 3.601 9.908 1.00 0.20 C ATOM 646 C GLY A 24 -8.703 2.171 9.430 1.00 0.18 C ATOM 647 O GLY A 24 -8.398 1.263 10.201 1.00 0.22 O ATOM 0 H GLY A 24 -9.198 4.880 8.329 1.00 0.17 H new ATOM 0 HA2 GLY A 24 -7.738 4.022 9.868 1.00 0.20 H new ATOM 0 HA3 GLY A 24 -9.056 3.623 10.952 1.00 0.20 H new ATOM 651 N ASP A 25 -9.003 1.960 8.157 1.00 0.15 N ATOM 652 CA ASP A 25 -9.024 0.602 7.615 1.00 0.16 C ATOM 653 C ASP A 25 -7.670 0.267 7.025 1.00 0.16 C ATOM 654 O ASP A 25 -7.030 1.100 6.395 1.00 0.26 O ATOM 655 CB ASP A 25 -10.106 0.396 6.553 1.00 0.20 C ATOM 656 CG ASP A 25 -10.861 -0.913 6.714 1.00 0.63 C ATOM 657 OD1 ASP A 25 -10.436 -1.942 6.147 1.00 1.27 O ATOM 658 OD2 ASP A 25 -11.906 -0.917 7.398 1.00 0.71 O ATOM 0 H ASP A 25 -9.232 2.694 7.487 1.00 0.15 H new ATOM 0 HA ASP A 25 -9.258 -0.065 8.445 1.00 0.16 H new ATOM 0 HB2 ASP A 25 -10.813 1.224 6.599 1.00 0.20 H new ATOM 0 HB3 ASP A 25 -9.646 0.424 5.565 1.00 0.20 H new ATOM 663 N PRO A 26 -7.227 -0.958 7.241 1.00 0.11 N ATOM 664 CA PRO A 26 -5.924 -1.433 6.789 1.00 0.10 C ATOM 665 C PRO A 26 -5.794 -1.462 5.264 1.00 0.08 C ATOM 666 O PRO A 26 -6.618 -2.053 4.567 1.00 0.11 O ATOM 667 CB PRO A 26 -5.828 -2.852 7.364 1.00 0.14 C ATOM 668 CG PRO A 26 -7.233 -3.251 7.674 1.00 0.21 C ATOM 669 CD PRO A 26 -7.983 -1.970 7.965 1.00 0.21 C ATOM 0 HA PRO A 26 -5.125 -0.771 7.123 1.00 0.10 H new ATOM 0 HB2 PRO A 26 -5.374 -3.536 6.647 1.00 0.14 H new ATOM 0 HB3 PRO A 26 -5.207 -2.872 8.260 1.00 0.14 H new ATOM 0 HG2 PRO A 26 -7.681 -3.782 6.834 1.00 0.21 H new ATOM 0 HG3 PRO A 26 -7.266 -3.924 8.531 1.00 0.21 H new ATOM 0 HD2 PRO A 26 -9.015 -2.023 7.619 1.00 0.21 H new ATOM 0 HD3 PRO A 26 -8.015 -1.758 9.034 1.00 0.21 H new ATOM 677 N VAL A 27 -4.738 -0.840 4.765 1.00 0.07 N ATOM 678 CA VAL A 27 -4.443 -0.825 3.330 1.00 0.08 C ATOM 679 C VAL A 27 -2.987 -1.194 3.119 1.00 0.10 C ATOM 680 O VAL A 27 -2.135 -0.902 3.958 1.00 0.11 O ATOM 681 CB VAL A 27 -4.725 0.529 2.592 1.00 0.10 C ATOM 682 CG1 VAL A 27 -6.149 0.614 2.076 1.00 0.12 C ATOM 683 CG2 VAL A 27 -4.458 1.755 3.448 1.00 0.12 C ATOM 0 H VAL A 27 -4.061 -0.332 5.334 1.00 0.07 H new ATOM 0 HA VAL A 27 -5.130 -1.549 2.891 1.00 0.08 H new ATOM 0 HB VAL A 27 -4.024 0.530 1.757 1.00 0.10 H new ATOM 0 HG11 VAL A 27 -6.297 1.569 1.572 1.00 0.12 H new ATOM 0 HG12 VAL A 27 -6.330 -0.199 1.373 1.00 0.12 H new ATOM 0 HG13 VAL A 27 -6.844 0.533 2.912 1.00 0.12 H new ATOM 0 HG21 VAL A 27 -4.675 2.655 2.872 1.00 0.12 H new ATOM 0 HG22 VAL A 27 -5.095 1.727 4.332 1.00 0.12 H new ATOM 0 HG23 VAL A 27 -3.412 1.764 3.755 1.00 0.12 H new ATOM 693 N CYS A 28 -2.715 -1.848 2.003 1.00 0.12 N ATOM 694 CA CYS A 28 -1.373 -2.252 1.649 1.00 0.15 C ATOM 695 C CYS A 28 -0.558 -0.983 1.325 1.00 0.13 C ATOM 696 O CYS A 28 -1.154 0.093 1.184 1.00 0.15 O ATOM 697 CB CYS A 28 -1.500 -3.187 0.446 1.00 0.19 C ATOM 698 SG CYS A 28 -1.650 -2.325 -1.117 1.00 0.22 S ATOM 0 H CYS A 28 -3.423 -2.113 1.318 1.00 0.12 H new ATOM 0 HA CYS A 28 -0.857 -2.776 2.453 1.00 0.15 H new ATOM 0 HB2 CYS A 28 -0.628 -3.840 0.410 1.00 0.19 H new ATOM 0 HB3 CYS A 28 -2.371 -3.827 0.584 1.00 0.19 H new ATOM 703 N ASN A 29 0.773 -1.080 1.192 1.00 0.13 N ATOM 704 CA ASN A 29 1.616 0.103 1.080 1.00 0.17 C ATOM 705 C ASN A 29 1.164 1.036 -0.025 1.00 0.15 C ATOM 706 O ASN A 29 0.959 2.199 0.243 1.00 0.16 O ATOM 707 CB ASN A 29 3.108 -0.311 0.927 1.00 0.27 C ATOM 708 CG ASN A 29 3.873 0.417 -0.176 1.00 0.70 C ATOM 709 OD1 ASN A 29 4.477 -0.228 -1.029 1.00 1.52 O ATOM 710 ND2 ASN A 29 3.887 1.751 -0.165 1.00 0.40 N ATOM 0 H ASN A 29 1.280 -1.964 1.160 1.00 0.13 H new ATOM 0 HA ASN A 29 1.515 0.672 2.004 1.00 0.17 H new ATOM 0 HB2 ASN A 29 3.616 -0.137 1.876 1.00 0.27 H new ATOM 0 HB3 ASN A 29 3.153 -1.383 0.733 1.00 0.27 H new ATOM 0 HD21 ASN A 29 4.409 2.261 -0.877 1.00 0.40 H new ATOM 0 HD22 ASN A 29 3.376 2.260 0.556 1.00 0.40 H new ATOM 717 N ALA A 30 1.016 0.549 -1.237 1.00 0.17 N ATOM 718 CA ALA A 30 0.583 1.418 -2.344 1.00 0.18 C ATOM 719 C ALA A 30 -0.692 2.198 -2.015 1.00 0.20 C ATOM 720 O ALA A 30 -0.740 3.414 -2.174 1.00 0.19 O ATOM 721 CB ALA A 30 0.370 0.651 -3.624 1.00 0.21 C ATOM 0 H ALA A 30 1.182 -0.424 -1.493 1.00 0.17 H new ATOM 0 HA ALA A 30 1.400 2.126 -2.485 1.00 0.18 H new ATOM 0 HB1 ALA A 30 0.052 1.336 -4.410 1.00 0.21 H new ATOM 0 HB2 ALA A 30 1.302 0.169 -3.919 1.00 0.21 H new ATOM 0 HB3 ALA A 30 -0.398 -0.107 -3.470 1.00 0.21 H new ATOM 727 N CYS A 31 -1.716 1.498 -1.545 1.00 0.26 N ATOM 728 CA CYS A 31 -3.009 2.118 -1.275 1.00 0.30 C ATOM 729 C CYS A 31 -2.918 3.129 -0.124 1.00 0.32 C ATOM 730 O CYS A 31 -3.539 4.187 -0.178 1.00 0.41 O ATOM 731 CB CYS A 31 -4.053 1.039 -1.006 1.00 0.34 C ATOM 732 SG CYS A 31 -4.322 -0.118 -2.392 1.00 0.39 S ATOM 0 H CYS A 31 -1.677 0.499 -1.342 1.00 0.26 H new ATOM 0 HA CYS A 31 -3.319 2.681 -2.156 1.00 0.30 H new ATOM 0 HB2 CYS A 31 -3.750 0.469 -0.128 1.00 0.34 H new ATOM 0 HB3 CYS A 31 -5.000 1.521 -0.762 1.00 0.34 H new ATOM 737 N GLY A 32 -2.124 2.815 0.898 1.00 0.28 N ATOM 738 CA GLY A 32 -1.895 3.776 1.979 1.00 0.29 C ATOM 739 C GLY A 32 -0.918 4.870 1.590 1.00 0.30 C ATOM 740 O GLY A 32 -1.085 6.016 1.980 1.00 0.46 O ATOM 0 H GLY A 32 -1.638 1.924 1.002 1.00 0.28 H new ATOM 0 HA2 GLY A 32 -2.845 4.227 2.266 1.00 0.29 H new ATOM 0 HA3 GLY A 32 -1.515 3.249 2.854 1.00 0.29 H new ATOM 744 N LEU A 33 0.098 4.519 0.818 1.00 0.19 N ATOM 745 CA LEU A 33 1.123 5.474 0.401 1.00 0.16 C ATOM 746 C LEU A 33 0.498 6.500 -0.493 1.00 0.14 C ATOM 747 O LEU A 33 0.701 7.699 -0.315 1.00 0.15 O ATOM 748 CB LEU A 33 2.275 4.774 -0.338 1.00 0.16 C ATOM 749 CG LEU A 33 3.464 5.642 -0.748 1.00 0.19 C ATOM 750 CD1 LEU A 33 4.766 4.855 -0.665 1.00 0.48 C ATOM 751 CD2 LEU A 33 3.279 6.108 -2.168 1.00 0.54 C ATOM 0 H LEU A 33 0.239 3.573 0.463 1.00 0.19 H new ATOM 0 HA LEU A 33 1.537 5.949 1.290 1.00 0.16 H new ATOM 0 HB2 LEU A 33 2.646 3.969 0.297 1.00 0.16 H new ATOM 0 HB3 LEU A 33 1.869 4.309 -1.236 1.00 0.16 H new ATOM 0 HG LEU A 33 3.515 6.492 -0.068 1.00 0.19 H new ATOM 0 HD11 LEU A 33 5.597 5.495 -0.962 1.00 0.48 H new ATOM 0 HD12 LEU A 33 4.919 4.512 0.358 1.00 0.48 H new ATOM 0 HD13 LEU A 33 4.714 3.995 -1.332 1.00 0.48 H new ATOM 0 HD21 LEU A 33 4.127 6.727 -2.461 1.00 0.54 H new ATOM 0 HD22 LEU A 33 3.215 5.244 -2.829 1.00 0.54 H new ATOM 0 HD23 LEU A 33 2.361 6.691 -2.243 1.00 0.54 H new ATOM 763 N TYR A 34 -0.303 6.034 -1.441 1.00 0.14 N ATOM 764 CA TYR A 34 -0.812 6.919 -2.430 1.00 0.16 C ATOM 765 C TYR A 34 -1.865 7.835 -1.838 1.00 0.13 C ATOM 766 O TYR A 34 -1.918 9.027 -2.153 1.00 0.15 O ATOM 767 CB TYR A 34 -1.363 6.120 -3.605 1.00 0.24 C ATOM 768 CG TYR A 34 -2.020 6.937 -4.678 1.00 0.25 C ATOM 769 CD1 TYR A 34 -3.313 7.398 -4.526 1.00 0.26 C ATOM 770 CD2 TYR A 34 -1.331 7.268 -5.832 1.00 0.30 C ATOM 771 CE1 TYR A 34 -3.907 8.169 -5.498 1.00 0.32 C ATOM 772 CE2 TYR A 34 -1.913 8.034 -6.806 1.00 0.35 C ATOM 773 CZ TYR A 34 -3.264 8.395 -6.668 1.00 0.36 C ATOM 774 OH TYR A 34 -3.787 9.240 -7.621 1.00 0.44 O ATOM 0 H TYR A 34 -0.600 5.062 -1.530 1.00 0.14 H new ATOM 0 HA TYR A 34 -0.001 7.549 -2.796 1.00 0.16 H new ATOM 0 HB2 TYR A 34 -0.548 5.551 -4.051 1.00 0.24 H new ATOM 0 HB3 TYR A 34 -2.086 5.398 -3.226 1.00 0.24 H new ATOM 0 HD1 TYR A 34 -3.865 7.150 -3.632 1.00 0.26 H new ATOM 0 HD2 TYR A 34 -0.319 6.917 -5.966 1.00 0.30 H new ATOM 0 HE1 TYR A 34 -4.885 8.594 -5.328 1.00 0.32 H new ATOM 0 HE2 TYR A 34 -1.344 8.355 -7.666 1.00 0.35 H new ATOM 0 HH TYR A 34 -3.183 9.277 -8.392 1.00 0.44 H new ATOM 784 N TYR A 35 -2.699 7.274 -0.976 1.00 0.14 N ATOM 785 CA TYR A 35 -3.718 8.049 -0.291 1.00 0.17 C ATOM 786 C TYR A 35 -3.099 9.164 0.538 1.00 0.16 C ATOM 787 O TYR A 35 -3.718 10.202 0.752 1.00 0.20 O ATOM 788 CB TYR A 35 -4.567 7.144 0.605 1.00 0.24 C ATOM 789 CG TYR A 35 -5.661 7.878 1.314 1.00 0.30 C ATOM 790 CD1 TYR A 35 -6.821 8.204 0.656 1.00 0.35 C ATOM 791 CD2 TYR A 35 -5.515 8.272 2.628 1.00 0.50 C ATOM 792 CE1 TYR A 35 -7.819 8.904 1.274 1.00 0.42 C ATOM 793 CE2 TYR A 35 -6.506 8.971 3.267 1.00 0.57 C ATOM 794 CZ TYR A 35 -7.665 9.290 2.586 1.00 0.45 C ATOM 795 OH TYR A 35 -8.666 9.992 3.213 1.00 0.57 O ATOM 0 H TYR A 35 -2.689 6.283 -0.735 1.00 0.14 H new ATOM 0 HA TYR A 35 -4.357 8.501 -1.050 1.00 0.17 H new ATOM 0 HB2 TYR A 35 -5.004 6.350 -0.001 1.00 0.24 H new ATOM 0 HB3 TYR A 35 -3.922 6.665 1.342 1.00 0.24 H new ATOM 0 HD1 TYR A 35 -6.948 7.901 -0.373 1.00 0.35 H new ATOM 0 HD2 TYR A 35 -4.608 8.026 3.160 1.00 0.50 H new ATOM 0 HE1 TYR A 35 -8.722 9.153 0.737 1.00 0.42 H new ATOM 0 HE2 TYR A 35 -6.381 9.271 4.297 1.00 0.57 H new ATOM 0 HH TYR A 35 -8.400 10.187 4.136 1.00 0.57 H new ATOM 805 N LYS A 36 -1.873 8.969 0.984 1.00 0.15 N ATOM 806 CA LYS A 36 -1.222 9.966 1.807 1.00 0.21 C ATOM 807 C LYS A 36 -0.809 11.146 0.973 1.00 0.22 C ATOM 808 O LYS A 36 -0.849 12.295 1.414 1.00 0.32 O ATOM 809 CB LYS A 36 -0.001 9.385 2.485 1.00 0.28 C ATOM 810 CG LYS A 36 -0.288 8.912 3.894 1.00 0.38 C ATOM 811 CD LYS A 36 -1.504 8.001 3.975 1.00 0.50 C ATOM 812 CE LYS A 36 -1.907 7.721 5.414 1.00 0.84 C ATOM 813 NZ LYS A 36 -2.506 8.911 6.075 1.00 1.23 N ATOM 0 H LYS A 36 -1.314 8.138 0.792 1.00 0.15 H new ATOM 0 HA LYS A 36 -1.933 10.290 2.567 1.00 0.21 H new ATOM 0 HB2 LYS A 36 0.375 8.549 1.895 1.00 0.28 H new ATOM 0 HB3 LYS A 36 0.788 10.137 2.512 1.00 0.28 H new ATOM 0 HG2 LYS A 36 0.583 8.382 4.279 1.00 0.38 H new ATOM 0 HG3 LYS A 36 -0.445 9.777 4.538 1.00 0.38 H new ATOM 0 HD2 LYS A 36 -2.339 8.462 3.447 1.00 0.50 H new ATOM 0 HD3 LYS A 36 -1.287 7.060 3.469 1.00 0.50 H new ATOM 0 HE2 LYS A 36 -2.622 6.898 5.435 1.00 0.84 H new ATOM 0 HE3 LYS A 36 -1.032 7.397 5.977 1.00 0.84 H new ATOM 0 HZ1 LYS A 36 -2.917 8.631 6.988 1.00 1.23 H new ATOM 0 HZ2 LYS A 36 -1.769 9.628 6.232 1.00 1.23 H new ATOM 0 HZ3 LYS A 36 -3.251 9.308 5.467 1.00 1.23 H new ATOM 827 N LEU A 37 -0.404 10.842 -0.234 1.00 0.20 N ATOM 828 CA LEU A 37 0.057 11.854 -1.153 1.00 0.24 C ATOM 829 C LEU A 37 -1.125 12.630 -1.714 1.00 0.25 C ATOM 830 O LEU A 37 -1.078 13.849 -1.866 1.00 0.31 O ATOM 831 CB LEU A 37 0.809 11.211 -2.324 1.00 0.29 C ATOM 832 CG LEU A 37 1.639 9.981 -1.978 1.00 0.49 C ATOM 833 CD1 LEU A 37 2.038 9.236 -3.237 1.00 1.19 C ATOM 834 CD2 LEU A 37 2.882 10.352 -1.195 1.00 0.67 C ATOM 0 H LEU A 37 -0.384 9.893 -0.607 1.00 0.20 H new ATOM 0 HA LEU A 37 0.722 12.524 -0.609 1.00 0.24 H new ATOM 0 HB2 LEU A 37 0.084 10.934 -3.090 1.00 0.29 H new ATOM 0 HB3 LEU A 37 1.468 11.960 -2.764 1.00 0.29 H new ATOM 0 HG LEU A 37 1.019 9.336 -1.356 1.00 0.49 H new ATOM 0 HD11 LEU A 37 2.630 8.361 -2.970 1.00 1.19 H new ATOM 0 HD12 LEU A 37 1.142 8.919 -3.771 1.00 1.19 H new ATOM 0 HD13 LEU A 37 2.629 9.892 -3.876 1.00 1.19 H new ATOM 0 HD21 LEU A 37 3.450 9.450 -0.965 1.00 0.67 H new ATOM 0 HD22 LEU A 37 3.498 11.028 -1.789 1.00 0.67 H new ATOM 0 HD23 LEU A 37 2.594 10.845 -0.267 1.00 0.67 H new ATOM 846 N HIS A 38 -2.185 11.897 -2.028 1.00 0.23 N ATOM 847 CA HIS A 38 -3.224 12.412 -2.908 1.00 0.28 C ATOM 848 C HIS A 38 -4.619 12.437 -2.281 1.00 0.30 C ATOM 849 O HIS A 38 -5.576 12.863 -2.928 1.00 0.37 O ATOM 850 CB HIS A 38 -3.216 11.581 -4.190 1.00 0.29 C ATOM 851 CG HIS A 38 -1.981 11.816 -5.017 1.00 0.35 C ATOM 852 ND1 HIS A 38 -1.559 10.971 -6.018 1.00 1.00 N ATOM 853 CD2 HIS A 38 -1.036 12.784 -4.930 1.00 1.02 C ATOM 854 CE1 HIS A 38 -0.406 11.402 -6.499 1.00 0.77 C ATOM 855 NE2 HIS A 38 -0.071 12.501 -5.859 1.00 0.69 N ATOM 0 H HIS A 38 -2.347 10.949 -1.688 1.00 0.23 H new ATOM 0 HA HIS A 38 -2.995 13.457 -3.116 1.00 0.28 H new ATOM 0 HB2 HIS A 38 -3.284 10.523 -3.935 1.00 0.29 H new ATOM 0 HB3 HIS A 38 -4.098 11.823 -4.782 1.00 0.29 H new ATOM 0 HD1 HIS A 38 -2.058 10.141 -6.339 1.00 1.00 H new ATOM 0 HD2 HIS A 38 -1.043 13.625 -4.252 1.00 1.02 H new ATOM 0 HE1 HIS A 38 0.165 10.931 -7.285 1.00 0.77 H new ATOM 864 N ASN A 39 -4.729 11.992 -1.031 1.00 0.26 N ATOM 865 CA ASN A 39 -6.013 11.965 -0.305 1.00 0.30 C ATOM 866 C ASN A 39 -7.032 11.073 -0.987 1.00 0.32 C ATOM 867 O ASN A 39 -8.240 11.227 -0.777 1.00 0.40 O ATOM 868 CB ASN A 39 -6.626 13.345 -0.205 1.00 0.39 C ATOM 869 CG ASN A 39 -5.703 14.371 0.469 1.00 1.01 C ATOM 870 OD1 ASN A 39 -4.682 13.995 1.049 1.00 1.57 O ATOM 871 ND2 ASN A 39 -6.062 15.663 0.470 1.00 1.87 N ATOM 0 H ASN A 39 -3.940 11.640 -0.489 1.00 0.26 H new ATOM 0 HA ASN A 39 -5.779 11.578 0.687 1.00 0.30 H new ATOM 0 HB2 ASN A 39 -6.879 13.696 -1.205 1.00 0.39 H new ATOM 0 HB3 ASN A 39 -7.558 13.281 0.356 1.00 0.39 H new ATOM 0 HD21 ASN A 39 -5.487 16.352 0.956 1.00 1.87 H new ATOM 0 HD22 ASN A 39 -6.910 15.957 -0.015 1.00 1.87 H new ATOM 878 N VAL A 40 -6.562 10.148 -1.793 1.00 0.30 N ATOM 879 CA VAL A 40 -7.462 9.235 -2.479 1.00 0.38 C ATOM 880 C VAL A 40 -6.835 7.869 -2.611 1.00 0.37 C ATOM 881 O VAL A 40 -5.616 7.732 -2.528 1.00 0.30 O ATOM 882 CB VAL A 40 -7.915 9.713 -3.878 1.00 0.45 C ATOM 883 CG1 VAL A 40 -9.213 10.472 -3.779 1.00 0.59 C ATOM 884 CG2 VAL A 40 -6.875 10.581 -4.557 1.00 0.42 C ATOM 0 H VAL A 40 -5.572 10.005 -1.992 1.00 0.30 H new ATOM 0 HA VAL A 40 -8.354 9.197 -1.853 1.00 0.38 H new ATOM 0 HB VAL A 40 -8.052 8.819 -4.486 1.00 0.45 H new ATOM 0 HG11 VAL A 40 -9.518 10.802 -4.772 1.00 0.59 H new ATOM 0 HG12 VAL A 40 -9.982 9.824 -3.359 1.00 0.59 H new ATOM 0 HG13 VAL A 40 -9.078 11.340 -3.134 1.00 0.59 H new ATOM 0 HG21 VAL A 40 -7.242 10.890 -5.536 1.00 0.42 H new ATOM 0 HG22 VAL A 40 -6.682 11.463 -3.946 1.00 0.42 H new ATOM 0 HG23 VAL A 40 -5.951 10.015 -4.678 1.00 0.42 H new ATOM 894 N ASN A 41 -7.670 6.868 -2.822 1.00 0.50 N ATOM 895 CA ASN A 41 -7.193 5.498 -2.919 1.00 0.55 C ATOM 896 C ASN A 41 -6.352 5.327 -4.172 1.00 0.44 C ATOM 897 O ASN A 41 -6.531 6.058 -5.146 1.00 0.43 O ATOM 898 CB ASN A 41 -8.347 4.491 -2.927 1.00 0.78 C ATOM 899 CG ASN A 41 -8.719 4.028 -1.533 1.00 1.16 C ATOM 900 OD1 ASN A 41 -8.237 3.000 -1.055 1.00 1.73 O ATOM 901 ND2 ASN A 41 -9.563 4.791 -0.866 1.00 1.16 N ATOM 0 H ASN A 41 -8.679 6.976 -2.929 1.00 0.50 H new ATOM 0 HA ASN A 41 -6.584 5.299 -2.037 1.00 0.55 H new ATOM 0 HB2 ASN A 41 -9.218 4.944 -3.401 1.00 0.78 H new ATOM 0 HB3 ASN A 41 -8.068 3.628 -3.531 1.00 0.78 H new ATOM 0 HD21 ASN A 41 -9.839 4.538 0.083 1.00 1.16 H new ATOM 0 HD22 ASN A 41 -9.939 5.635 -1.299 1.00 1.16 H new ATOM 908 N ARG A 42 -5.453 4.353 -4.158 1.00 0.46 N ATOM 909 CA ARG A 42 -4.505 4.174 -5.243 1.00 0.39 C ATOM 910 C ARG A 42 -5.185 3.432 -6.384 1.00 0.45 C ATOM 911 O ARG A 42 -5.537 2.268 -6.224 1.00 0.51 O ATOM 912 CB ARG A 42 -3.289 3.388 -4.728 1.00 0.48 C ATOM 913 CG ARG A 42 -1.995 3.574 -5.524 1.00 1.13 C ATOM 914 CD ARG A 42 -2.050 3.007 -6.934 1.00 1.57 C ATOM 915 NE ARG A 42 -0.745 3.111 -7.594 1.00 2.08 N ATOM 916 CZ ARG A 42 -0.442 2.568 -8.774 1.00 2.71 C ATOM 917 NH1 ARG A 42 -1.361 1.923 -9.476 1.00 3.32 N ATOM 918 NH2 ARG A 42 0.783 2.695 -9.259 1.00 3.14 N ATOM 0 H ARG A 42 -5.362 3.673 -3.403 1.00 0.46 H new ATOM 0 HA ARG A 42 -4.164 5.142 -5.610 1.00 0.39 H new ATOM 0 HB2 ARG A 42 -3.103 3.678 -3.694 1.00 0.48 H new ATOM 0 HB3 ARG A 42 -3.541 2.328 -4.721 1.00 0.48 H new ATOM 0 HG2 ARG A 42 -1.764 4.638 -5.580 1.00 1.13 H new ATOM 0 HG3 ARG A 42 -1.176 3.098 -4.984 1.00 1.13 H new ATOM 0 HD2 ARG A 42 -2.361 1.963 -6.898 1.00 1.57 H new ATOM 0 HD3 ARG A 42 -2.800 3.543 -7.516 1.00 1.57 H new ATOM 0 HE ARG A 42 -0.014 3.638 -7.115 1.00 2.08 H new ATOM 0 HH11 ARG A 42 -2.311 1.838 -9.115 1.00 3.32 H new ATOM 0 HH12 ARG A 42 -1.119 1.512 -10.377 1.00 3.32 H new ATOM 0 HH21 ARG A 42 1.490 3.206 -8.731 1.00 3.14 H new ATOM 0 HH22 ARG A 42 1.020 2.282 -10.161 1.00 3.14 H new ATOM 932 N PRO A 43 -5.436 4.103 -7.527 1.00 0.53 N ATOM 933 CA PRO A 43 -5.969 3.435 -8.717 1.00 0.67 C ATOM 934 C PRO A 43 -5.096 2.266 -9.122 1.00 0.66 C ATOM 935 O PRO A 43 -3.922 2.434 -9.433 1.00 0.68 O ATOM 936 CB PRO A 43 -5.935 4.526 -9.782 1.00 0.80 C ATOM 937 CG PRO A 43 -6.064 5.780 -9.003 1.00 0.73 C ATOM 938 CD PRO A 43 -5.268 5.552 -7.752 1.00 0.55 C ATOM 0 HA PRO A 43 -6.965 3.022 -8.558 1.00 0.67 H new ATOM 0 HB2 PRO A 43 -5.006 4.502 -10.351 1.00 0.80 H new ATOM 0 HB3 PRO A 43 -6.750 4.413 -10.497 1.00 0.80 H new ATOM 0 HG2 PRO A 43 -5.680 6.633 -9.563 1.00 0.73 H new ATOM 0 HG3 PRO A 43 -7.107 5.994 -8.772 1.00 0.73 H new ATOM 0 HD2 PRO A 43 -4.220 5.824 -7.882 1.00 0.55 H new ATOM 0 HD3 PRO A 43 -5.648 6.139 -6.916 1.00 0.55 H new ATOM 946 N LEU A 44 -5.672 1.088 -9.115 1.00 0.72 N ATOM 947 CA LEU A 44 -4.922 -0.126 -9.347 1.00 0.73 C ATOM 948 C LEU A 44 -5.544 -0.904 -10.497 1.00 1.12 C ATOM 949 O LEU A 44 -6.022 -0.318 -11.469 1.00 1.52 O ATOM 950 CB LEU A 44 -4.897 -0.990 -8.074 1.00 0.81 C ATOM 951 CG LEU A 44 -4.366 -0.309 -6.810 1.00 0.88 C ATOM 952 CD1 LEU A 44 -5.006 -0.923 -5.586 1.00 1.80 C ATOM 953 CD2 LEU A 44 -2.860 -0.453 -6.700 1.00 0.84 C ATOM 0 H LEU A 44 -6.668 0.942 -8.949 1.00 0.72 H new ATOM 0 HA LEU A 44 -3.897 0.136 -9.608 1.00 0.73 H new ATOM 0 HB2 LEU A 44 -5.910 -1.339 -7.876 1.00 0.81 H new ATOM 0 HB3 LEU A 44 -4.288 -1.873 -8.270 1.00 0.81 H new ATOM 0 HG LEU A 44 -4.615 0.750 -6.873 1.00 0.88 H new ATOM 0 HD11 LEU A 44 -4.623 -0.433 -4.691 1.00 1.80 H new ATOM 0 HD12 LEU A 44 -6.087 -0.793 -5.637 1.00 1.80 H new ATOM 0 HD13 LEU A 44 -4.770 -1.986 -5.547 1.00 1.80 H new ATOM 0 HD21 LEU A 44 -2.513 0.041 -5.792 1.00 0.84 H new ATOM 0 HD22 LEU A 44 -2.597 -1.510 -6.661 1.00 0.84 H new ATOM 0 HD23 LEU A 44 -2.386 0.007 -7.567 1.00 0.84 H new ATOM 965 N THR A 45 -5.529 -2.213 -10.381 1.00 1.43 N ATOM 966 CA THR A 45 -6.144 -3.091 -11.350 1.00 1.89 C ATOM 967 C THR A 45 -7.000 -4.117 -10.607 1.00 2.49 C ATOM 968 O THR A 45 -7.702 -3.756 -9.657 1.00 3.12 O ATOM 969 CB THR A 45 -5.064 -3.778 -12.210 1.00 2.47 C ATOM 970 OG1 THR A 45 -3.957 -4.160 -11.382 1.00 2.85 O ATOM 971 CG2 THR A 45 -4.579 -2.855 -13.319 1.00 3.21 C ATOM 0 H THR A 45 -5.085 -2.702 -9.604 1.00 1.43 H new ATOM 0 HA THR A 45 -6.781 -2.518 -12.024 1.00 1.89 H new ATOM 0 HB THR A 45 -5.504 -4.664 -12.668 1.00 2.47 H new ATOM 0 HG1 THR A 45 -3.273 -4.598 -11.931 1.00 2.85 H new ATOM 0 HG21 THR A 45 -3.818 -3.365 -13.910 1.00 3.21 H new ATOM 0 HG22 THR A 45 -5.418 -2.586 -13.961 1.00 3.21 H new ATOM 0 HG23 THR A 45 -4.154 -1.952 -12.881 1.00 3.21 H new ATOM 979 N MET A 46 -6.966 -5.372 -11.021 1.00 3.01 N ATOM 980 CA MET A 46 -7.661 -6.422 -10.296 1.00 4.06 C ATOM 981 C MET A 46 -6.740 -7.051 -9.263 1.00 4.82 C ATOM 982 O MET A 46 -5.583 -6.644 -9.132 1.00 5.29 O ATOM 983 CB MET A 46 -8.179 -7.497 -11.253 1.00 4.43 C ATOM 984 CG MET A 46 -9.445 -7.097 -11.992 1.00 5.26 C ATOM 985 SD MET A 46 -10.112 -8.425 -13.016 1.00 5.98 S ATOM 986 CE MET A 46 -8.781 -8.643 -14.192 1.00 6.47 C ATOM 0 H MET A 46 -6.467 -5.688 -11.852 1.00 3.01 H new ATOM 0 HA MET A 46 -8.513 -5.972 -9.787 1.00 4.06 H new ATOM 0 HB2 MET A 46 -7.401 -7.728 -11.981 1.00 4.43 H new ATOM 0 HB3 MET A 46 -8.371 -8.411 -10.690 1.00 4.43 H new ATOM 0 HG2 MET A 46 -10.200 -6.789 -11.268 1.00 5.26 H new ATOM 0 HG3 MET A 46 -9.234 -6.232 -12.620 1.00 5.26 H new ATOM 0 HE1 MET A 46 -9.137 -9.228 -15.040 1.00 6.47 H new ATOM 0 HE2 MET A 46 -8.440 -7.668 -14.541 1.00 6.47 H new ATOM 0 HE3 MET A 46 -7.954 -9.166 -13.712 1.00 6.47 H new ATOM 996 N LYS A 47 -7.246 -8.034 -8.531 1.00 5.35 N ATOM 997 CA LYS A 47 -6.429 -8.761 -7.569 1.00 6.39 C ATOM 998 C LYS A 47 -5.241 -9.392 -8.289 1.00 6.45 C ATOM 999 O LYS A 47 -4.114 -9.386 -7.788 1.00 7.14 O ATOM 1000 CB LYS A 47 -7.267 -9.832 -6.864 1.00 7.52 C ATOM 1001 CG LYS A 47 -6.502 -10.636 -5.825 1.00 8.31 C ATOM 1002 CD LYS A 47 -7.386 -11.700 -5.198 1.00 9.24 C ATOM 1003 CE LYS A 47 -6.611 -12.566 -4.220 1.00 10.03 C ATOM 1004 NZ LYS A 47 -7.456 -13.648 -3.648 1.00 10.60 N ATOM 0 H LYS A 47 -8.216 -8.346 -8.585 1.00 5.35 H new ATOM 0 HA LYS A 47 -6.058 -8.070 -6.812 1.00 6.39 H new ATOM 0 HB2 LYS A 47 -8.118 -9.352 -6.381 1.00 7.52 H new ATOM 0 HB3 LYS A 47 -7.668 -10.515 -7.613 1.00 7.52 H new ATOM 0 HG2 LYS A 47 -5.636 -11.106 -6.290 1.00 8.31 H new ATOM 0 HG3 LYS A 47 -6.125 -9.969 -5.050 1.00 8.31 H new ATOM 0 HD2 LYS A 47 -8.219 -11.223 -4.682 1.00 9.24 H new ATOM 0 HD3 LYS A 47 -7.813 -12.327 -5.981 1.00 9.24 H new ATOM 0 HE2 LYS A 47 -5.752 -13.006 -4.726 1.00 10.03 H new ATOM 0 HE3 LYS A 47 -6.222 -11.944 -3.414 1.00 10.03 H new ATOM 0 HZ1 LYS A 47 -6.891 -14.217 -2.986 1.00 10.60 H new ATOM 0 HZ2 LYS A 47 -8.263 -13.228 -3.143 1.00 10.60 H new ATOM 0 HZ3 LYS A 47 -7.807 -14.257 -4.415 1.00 10.60 H new ATOM 1018 N LYS A 48 -5.506 -9.926 -9.473 1.00 6.06 N ATOM 1019 CA LYS A 48 -4.454 -10.438 -10.330 1.00 6.40 C ATOM 1020 C LYS A 48 -4.481 -9.739 -11.691 1.00 6.04 C ATOM 1021 O LYS A 48 -4.880 -10.338 -12.693 1.00 6.58 O ATOM 1022 CB LYS A 48 -4.597 -11.949 -10.528 1.00 7.59 C ATOM 1023 CG LYS A 48 -3.414 -12.573 -11.255 1.00 8.29 C ATOM 1024 CD LYS A 48 -3.747 -13.943 -11.823 1.00 9.18 C ATOM 1025 CE LYS A 48 -4.795 -13.859 -12.927 1.00 9.92 C ATOM 1026 NZ LYS A 48 -4.398 -12.915 -14.011 1.00 10.22 N ATOM 0 H LYS A 48 -6.445 -10.015 -9.860 1.00 6.06 H new ATOM 0 HA LYS A 48 -3.500 -10.236 -9.842 1.00 6.40 H new ATOM 0 HB2 LYS A 48 -4.711 -12.427 -9.555 1.00 7.59 H new ATOM 0 HB3 LYS A 48 -5.508 -12.151 -11.091 1.00 7.59 H new ATOM 0 HG2 LYS A 48 -3.097 -11.914 -12.063 1.00 8.29 H new ATOM 0 HG3 LYS A 48 -2.573 -12.661 -10.568 1.00 8.29 H new ATOM 0 HD2 LYS A 48 -2.841 -14.403 -12.216 1.00 9.18 H new ATOM 0 HD3 LYS A 48 -4.112 -14.589 -11.024 1.00 9.18 H new ATOM 0 HE2 LYS A 48 -4.953 -14.850 -13.351 1.00 9.92 H new ATOM 0 HE3 LYS A 48 -5.745 -13.540 -12.500 1.00 9.92 H new ATOM 0 HZ1 LYS A 48 -4.986 -13.085 -14.852 1.00 10.22 H new ATOM 0 HZ2 LYS A 48 -4.533 -11.936 -13.686 1.00 10.22 H new ATOM 0 HZ3 LYS A 48 -3.397 -13.064 -14.252 1.00 10.22 H new ATOM 1040 N GLU A 49 -4.090 -8.466 -11.704 1.00 5.38 N ATOM 1041 CA GLU A 49 -3.889 -7.712 -12.949 1.00 5.42 C ATOM 1042 C GLU A 49 -5.216 -7.434 -13.656 1.00 5.55 C ATOM 1043 O GLU A 49 -5.533 -8.141 -14.640 1.00 5.89 O ATOM 1044 CB GLU A 49 -2.942 -8.476 -13.888 1.00 5.41 C ATOM 1045 CG GLU A 49 -1.616 -8.854 -13.251 1.00 5.86 C ATOM 1046 CD GLU A 49 -0.850 -9.868 -14.071 1.00 6.53 C ATOM 1047 OE1 GLU A 49 -1.208 -11.064 -14.024 1.00 7.00 O ATOM 1048 OE2 GLU A 49 0.120 -9.481 -14.760 1.00 6.85 O ATOM 1049 OXT GLU A 49 -5.934 -6.510 -13.225 1.00 5.74 O ATOM 0 H GLU A 49 -3.903 -7.927 -10.859 1.00 5.38 H new ATOM 0 HA GLU A 49 -3.440 -6.754 -12.688 1.00 5.42 H new ATOM 0 HB2 GLU A 49 -3.440 -9.383 -14.232 1.00 5.41 H new ATOM 0 HB3 GLU A 49 -2.749 -7.865 -14.770 1.00 5.41 H new ATOM 0 HG2 GLU A 49 -1.008 -7.958 -13.126 1.00 5.86 H new ATOM 0 HG3 GLU A 49 -1.797 -9.258 -12.255 1.00 5.86 H new TER 1056 GLU A 49 HETATM 1057 ZN ZN A 101 -3.871 -2.221 -1.601 1.00 0.29 ZN