USER MOD reduce.3.24.130724 H: found=0, std=0, add=481, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 477 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 36 ASN : amide:sc= -1.11 K(o=1,f=-0.96!) USER MOD Set 1.2: A 38 TYR OH : rot -150:sc= 0.986 USER MOD Set 1.3: A 57 THR OG1 : rot 131:sc= 1.16 USER MOD Single : A 1 GLY N :NH3+ -95:sc= 0.0606 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.0233 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 156:sc= 0 (180deg=-0.382) USER MOD Single : A 25 MET CE :methyl 162:sc= -0.903 (180deg=-1.6) USER MOD Single : A 26 THR OG1 : rot -80:sc= 0.515 USER MOD Single : A 37 SER OG : rot 160:sc= -2.32 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot -30:sc= 0.595 USER MOD Single : A 53 HIS : no HD1:sc= -0.306 X(o=-0.31,f=-0.072) USER MOD Single : A 54 THR OG1 : rot -70:sc= 0.00282 USER MOD Single : A 59 HIS : no HD1:sc= 0 X(o=0,f=-0.005) USER MOD Single : A 60 GLN : amide:sc= -0.965 K(o=-0.97,f=-1.9!) USER MOD Single : A 61 ASN : amide:sc= -1.03 X(o=-1,f=-0.67) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 16.482 -39.148 -8.402 1.00 0.00 N ATOM 2 CA GLY A 1 15.753 -37.902 -8.545 1.00 0.00 C ATOM 3 C GLY A 1 14.373 -38.102 -9.139 1.00 0.00 C ATOM 4 O GLY A 1 14.085 -39.152 -9.714 1.00 0.00 O ATOM 0 H1 GLY A 1 16.353 -39.517 -7.438 1.00 0.00 H new ATOM 0 H2 GLY A 1 16.123 -39.841 -9.089 1.00 0.00 H new ATOM 0 H3 GLY A 1 17.494 -38.980 -8.576 1.00 0.00 H new ATOM 0 HA2 GLY A 1 15.659 -37.425 -7.569 1.00 0.00 H new ATOM 0 HA3 GLY A 1 16.323 -37.222 -9.178 1.00 0.00 H new ATOM 8 N SER A 2 13.519 -37.094 -8.999 1.00 0.00 N ATOM 9 CA SER A 2 12.159 -37.168 -9.521 1.00 0.00 C ATOM 10 C SER A 2 11.848 -35.956 -10.396 1.00 0.00 C ATOM 11 O SER A 2 12.286 -34.842 -10.110 1.00 0.00 O ATOM 12 CB SER A 2 11.152 -37.253 -8.373 1.00 0.00 C ATOM 13 OG SER A 2 11.313 -38.457 -7.643 1.00 0.00 O ATOM 0 H SER A 2 13.744 -36.217 -8.529 1.00 0.00 H new ATOM 0 HA SER A 2 12.079 -38.067 -10.131 1.00 0.00 H new ATOM 0 HB2 SER A 2 11.282 -36.400 -7.707 1.00 0.00 H new ATOM 0 HB3 SER A 2 10.138 -37.197 -8.769 1.00 0.00 H new ATOM 0 HG SER A 2 10.659 -38.487 -6.914 1.00 0.00 H new ATOM 19 N SER A 3 11.089 -36.184 -11.463 1.00 0.00 N ATOM 20 CA SER A 3 10.721 -35.113 -12.382 1.00 0.00 C ATOM 21 C SER A 3 9.897 -34.045 -11.669 1.00 0.00 C ATOM 22 O SER A 3 10.209 -32.856 -11.739 1.00 0.00 O ATOM 23 CB SER A 3 9.932 -35.677 -13.565 1.00 0.00 C ATOM 24 OG SER A 3 8.825 -36.443 -13.122 1.00 0.00 O ATOM 0 H SER A 3 10.717 -37.100 -11.712 1.00 0.00 H new ATOM 0 HA SER A 3 11.638 -34.653 -12.752 1.00 0.00 H new ATOM 0 HB2 SER A 3 9.583 -34.860 -14.196 1.00 0.00 H new ATOM 0 HB3 SER A 3 10.585 -36.297 -14.179 1.00 0.00 H new ATOM 0 HG SER A 3 8.336 -36.791 -13.897 1.00 0.00 H new ATOM 30 N GLY A 4 8.842 -34.477 -10.984 1.00 0.00 N ATOM 31 CA GLY A 4 7.990 -33.546 -10.270 1.00 0.00 C ATOM 32 C GLY A 4 8.574 -33.134 -8.933 1.00 0.00 C ATOM 33 O GLY A 4 7.866 -33.077 -7.929 1.00 0.00 O ATOM 0 H GLY A 4 8.563 -35.455 -10.911 1.00 0.00 H new ATOM 0 HA2 GLY A 4 7.833 -32.659 -10.883 1.00 0.00 H new ATOM 0 HA3 GLY A 4 7.012 -34.001 -10.111 1.00 0.00 H new ATOM 37 N SER A 5 9.872 -32.846 -8.920 1.00 0.00 N ATOM 38 CA SER A 5 10.554 -32.442 -7.696 1.00 0.00 C ATOM 39 C SER A 5 9.988 -31.127 -7.169 1.00 0.00 C ATOM 40 O SER A 5 9.509 -31.053 -6.037 1.00 0.00 O ATOM 41 CB SER A 5 12.056 -32.300 -7.946 1.00 0.00 C ATOM 42 OG SER A 5 12.744 -31.979 -6.749 1.00 0.00 O ATOM 0 H SER A 5 10.472 -32.885 -9.744 1.00 0.00 H new ATOM 0 HA SER A 5 10.390 -33.216 -6.946 1.00 0.00 H new ATOM 0 HB2 SER A 5 12.449 -33.230 -8.357 1.00 0.00 H new ATOM 0 HB3 SER A 5 12.232 -31.523 -8.690 1.00 0.00 H new ATOM 0 HG SER A 5 13.703 -31.895 -6.935 1.00 0.00 H new ATOM 48 N SER A 6 10.048 -30.090 -7.997 1.00 0.00 N ATOM 49 CA SER A 6 9.546 -28.775 -7.615 1.00 0.00 C ATOM 50 C SER A 6 8.543 -28.257 -8.641 1.00 0.00 C ATOM 51 O SER A 6 8.921 -27.797 -9.717 1.00 0.00 O ATOM 52 CB SER A 6 10.704 -27.785 -7.472 1.00 0.00 C ATOM 53 OG SER A 6 11.470 -28.062 -6.312 1.00 0.00 O ATOM 0 H SER A 6 10.440 -30.134 -8.938 1.00 0.00 H new ATOM 0 HA SER A 6 9.040 -28.872 -6.655 1.00 0.00 H new ATOM 0 HB2 SER A 6 11.342 -27.837 -8.354 1.00 0.00 H new ATOM 0 HB3 SER A 6 10.314 -26.769 -7.420 1.00 0.00 H new ATOM 0 HG SER A 6 12.205 -27.417 -6.244 1.00 0.00 H new ATOM 59 N GLY A 7 7.261 -28.334 -8.298 1.00 0.00 N ATOM 60 CA GLY A 7 6.222 -27.871 -9.198 1.00 0.00 C ATOM 61 C GLY A 7 5.831 -26.429 -8.940 1.00 0.00 C ATOM 62 O GLY A 7 6.691 -25.552 -8.860 1.00 0.00 O ATOM 0 H GLY A 7 6.923 -28.709 -7.412 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.566 -27.972 -10.227 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.343 -28.507 -9.091 1.00 0.00 H new ATOM 66 N GLU A 8 4.531 -26.184 -8.812 1.00 0.00 N ATOM 67 CA GLU A 8 4.030 -24.837 -8.563 1.00 0.00 C ATOM 68 C GLU A 8 4.944 -24.085 -7.599 1.00 0.00 C ATOM 69 O GLU A 8 5.514 -24.674 -6.680 1.00 0.00 O ATOM 70 CB GLU A 8 2.610 -24.894 -7.996 1.00 0.00 C ATOM 71 CG GLU A 8 2.535 -25.494 -6.602 1.00 0.00 C ATOM 72 CD GLU A 8 2.613 -27.008 -6.613 1.00 0.00 C ATOM 73 OE1 GLU A 8 3.739 -27.542 -6.688 1.00 0.00 O ATOM 74 OE2 GLU A 8 1.549 -27.659 -6.548 1.00 0.00 O ATOM 0 H GLU A 8 3.807 -26.899 -8.876 1.00 0.00 H new ATOM 0 HA GLU A 8 4.014 -24.302 -9.513 1.00 0.00 H new ATOM 0 HB2 GLU A 8 2.197 -23.886 -7.971 1.00 0.00 H new ATOM 0 HB3 GLU A 8 1.982 -25.479 -8.668 1.00 0.00 H new ATOM 0 HG2 GLU A 8 3.349 -25.097 -5.995 1.00 0.00 H new ATOM 0 HG3 GLU A 8 1.603 -25.185 -6.127 1.00 0.00 H new ATOM 81 N ASP A 9 5.080 -22.782 -7.818 1.00 0.00 N ATOM 82 CA ASP A 9 5.924 -21.948 -6.969 1.00 0.00 C ATOM 83 C ASP A 9 5.548 -22.112 -5.500 1.00 0.00 C ATOM 84 O ASP A 9 4.411 -21.853 -5.107 1.00 0.00 O ATOM 85 CB ASP A 9 5.804 -20.480 -7.380 1.00 0.00 C ATOM 86 CG ASP A 9 6.129 -20.259 -8.844 1.00 0.00 C ATOM 87 OD1 ASP A 9 6.932 -21.038 -9.396 1.00 0.00 O ATOM 88 OD2 ASP A 9 5.583 -19.303 -9.436 1.00 0.00 O ATOM 0 H ASP A 9 4.617 -22.280 -8.576 1.00 0.00 H new ATOM 0 HA ASP A 9 6.958 -22.269 -7.098 1.00 0.00 H new ATOM 0 HB2 ASP A 9 4.791 -20.131 -7.179 1.00 0.00 H new ATOM 0 HB3 ASP A 9 6.475 -19.878 -6.767 1.00 0.00 H new ATOM 93 N ASP A 10 6.511 -22.545 -4.694 1.00 0.00 N ATOM 94 CA ASP A 10 6.281 -22.744 -3.267 1.00 0.00 C ATOM 95 C ASP A 10 6.072 -21.408 -2.559 1.00 0.00 C ATOM 96 O ASP A 10 5.031 -21.156 -1.952 1.00 0.00 O ATOM 97 CB ASP A 10 7.458 -23.489 -2.638 1.00 0.00 C ATOM 98 CG ASP A 10 7.238 -24.989 -2.594 1.00 0.00 C ATOM 99 OD1 ASP A 10 6.665 -25.533 -3.561 1.00 0.00 O ATOM 100 OD2 ASP A 10 7.637 -25.618 -1.591 1.00 0.00 O ATOM 0 H ASP A 10 7.458 -22.765 -5.004 1.00 0.00 H new ATOM 0 HA ASP A 10 5.378 -23.343 -3.150 1.00 0.00 H new ATOM 0 HB2 ASP A 10 8.364 -23.274 -3.204 1.00 0.00 H new ATOM 0 HB3 ASP A 10 7.619 -23.119 -1.626 1.00 0.00 H new ATOM 105 N PRO A 11 7.084 -20.532 -2.638 1.00 0.00 N ATOM 106 CA PRO A 11 7.036 -19.208 -2.010 1.00 0.00 C ATOM 107 C PRO A 11 6.045 -18.275 -2.699 1.00 0.00 C ATOM 108 O PRO A 11 5.681 -18.489 -3.857 1.00 0.00 O ATOM 109 CB PRO A 11 8.465 -18.685 -2.173 1.00 0.00 C ATOM 110 CG PRO A 11 8.999 -19.407 -3.361 1.00 0.00 C ATOM 111 CD PRO A 11 8.354 -20.765 -3.345 1.00 0.00 C ATOM 0 HA PRO A 11 6.703 -19.261 -0.973 1.00 0.00 H new ATOM 0 HB2 PRO A 11 8.477 -17.606 -2.327 1.00 0.00 H new ATOM 0 HB3 PRO A 11 9.064 -18.886 -1.285 1.00 0.00 H new ATOM 0 HG2 PRO A 11 8.762 -18.873 -4.281 1.00 0.00 H new ATOM 0 HG3 PRO A 11 10.085 -19.490 -3.312 1.00 0.00 H new ATOM 0 HD2 PRO A 11 8.189 -21.143 -4.354 1.00 0.00 H new ATOM 0 HD3 PRO A 11 8.973 -21.498 -2.828 1.00 0.00 H new ATOM 119 N ILE A 12 5.614 -17.243 -1.983 1.00 0.00 N ATOM 120 CA ILE A 12 4.668 -16.278 -2.528 1.00 0.00 C ATOM 121 C ILE A 12 5.377 -15.240 -3.392 1.00 0.00 C ATOM 122 O ILE A 12 6.340 -14.599 -2.970 1.00 0.00 O ATOM 123 CB ILE A 12 3.893 -15.556 -1.409 1.00 0.00 C ATOM 124 CG1 ILE A 12 3.165 -16.571 -0.526 1.00 0.00 C ATOM 125 CG2 ILE A 12 2.909 -14.560 -2.004 1.00 0.00 C ATOM 126 CD1 ILE A 12 2.311 -17.546 -1.306 1.00 0.00 C ATOM 0 H ILE A 12 5.905 -17.053 -1.024 1.00 0.00 H new ATOM 0 HA ILE A 12 3.964 -16.839 -3.143 1.00 0.00 H new ATOM 0 HB ILE A 12 4.604 -15.009 -0.790 1.00 0.00 H new ATOM 0 HG12 ILE A 12 3.900 -17.128 0.055 1.00 0.00 H new ATOM 0 HG13 ILE A 12 2.535 -16.036 0.185 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.369 -14.058 -1.201 1.00 0.00 H new ATOM 0 HG22 ILE A 12 3.451 -13.821 -2.594 1.00 0.00 H new ATOM 0 HG23 ILE A 12 2.201 -15.086 -2.644 1.00 0.00 H new ATOM 0 HD11 ILE A 12 1.825 -18.236 -0.617 1.00 0.00 H new ATOM 0 HD12 ILE A 12 1.553 -16.998 -1.866 1.00 0.00 H new ATOM 0 HD13 ILE A 12 2.939 -18.107 -1.998 1.00 0.00 H new ATOM 138 N PRO A 13 4.890 -15.066 -4.629 1.00 0.00 N ATOM 139 CA PRO A 13 5.459 -14.105 -5.578 1.00 0.00 C ATOM 140 C PRO A 13 5.197 -12.661 -5.166 1.00 0.00 C ATOM 141 O PRO A 13 4.304 -12.386 -4.366 1.00 0.00 O ATOM 142 CB PRO A 13 4.737 -14.428 -6.888 1.00 0.00 C ATOM 143 CG PRO A 13 3.448 -15.046 -6.467 1.00 0.00 C ATOM 144 CD PRO A 13 3.743 -15.797 -5.198 1.00 0.00 C ATOM 0 HA PRO A 13 6.544 -14.190 -5.643 1.00 0.00 H new ATOM 0 HB2 PRO A 13 4.570 -13.528 -7.480 1.00 0.00 H new ATOM 0 HB3 PRO A 13 5.321 -15.111 -7.504 1.00 0.00 H new ATOM 0 HG2 PRO A 13 2.686 -14.284 -6.301 1.00 0.00 H new ATOM 0 HG3 PRO A 13 3.067 -15.716 -7.237 1.00 0.00 H new ATOM 0 HD2 PRO A 13 2.889 -15.794 -4.521 1.00 0.00 H new ATOM 0 HD3 PRO A 13 3.989 -16.840 -5.396 1.00 0.00 H new ATOM 152 N ASP A 14 5.981 -11.742 -5.720 1.00 0.00 N ATOM 153 CA ASP A 14 5.832 -10.324 -5.412 1.00 0.00 C ATOM 154 C ASP A 14 4.469 -9.809 -5.867 1.00 0.00 C ATOM 155 O ASP A 14 3.802 -9.072 -5.143 1.00 0.00 O ATOM 156 CB ASP A 14 6.945 -9.516 -6.079 1.00 0.00 C ATOM 157 CG ASP A 14 6.638 -9.195 -7.529 1.00 0.00 C ATOM 158 OD1 ASP A 14 5.932 -8.196 -7.778 1.00 0.00 O ATOM 159 OD2 ASP A 14 7.104 -9.942 -8.415 1.00 0.00 O ATOM 0 H ASP A 14 6.726 -11.953 -6.384 1.00 0.00 H new ATOM 0 HA ASP A 14 5.904 -10.203 -4.331 1.00 0.00 H new ATOM 0 HB2 ASP A 14 7.096 -8.587 -5.528 1.00 0.00 H new ATOM 0 HB3 ASP A 14 7.879 -10.075 -6.023 1.00 0.00 H new ATOM 164 N GLU A 15 4.065 -10.203 -7.071 1.00 0.00 N ATOM 165 CA GLU A 15 2.784 -9.780 -7.622 1.00 0.00 C ATOM 166 C GLU A 15 1.689 -9.837 -6.560 1.00 0.00 C ATOM 167 O GLU A 15 0.726 -9.072 -6.603 1.00 0.00 O ATOM 168 CB GLU A 15 2.400 -10.659 -8.813 1.00 0.00 C ATOM 169 CG GLU A 15 2.061 -12.090 -8.430 1.00 0.00 C ATOM 170 CD GLU A 15 1.822 -12.976 -9.637 1.00 0.00 C ATOM 171 OE1 GLU A 15 2.812 -13.494 -10.196 1.00 0.00 O ATOM 172 OE2 GLU A 15 0.648 -13.152 -10.021 1.00 0.00 O ATOM 0 H GLU A 15 4.606 -10.814 -7.682 1.00 0.00 H new ATOM 0 HA GLU A 15 2.886 -8.749 -7.959 1.00 0.00 H new ATOM 0 HB2 GLU A 15 1.543 -10.215 -9.320 1.00 0.00 H new ATOM 0 HB3 GLU A 15 3.223 -10.668 -9.527 1.00 0.00 H new ATOM 0 HG2 GLU A 15 2.874 -12.505 -7.835 1.00 0.00 H new ATOM 0 HG3 GLU A 15 1.171 -12.093 -7.800 1.00 0.00 H new ATOM 179 N LEU A 16 1.845 -10.750 -5.607 1.00 0.00 N ATOM 180 CA LEU A 16 0.870 -10.908 -4.534 1.00 0.00 C ATOM 181 C LEU A 16 1.224 -10.025 -3.341 1.00 0.00 C ATOM 182 O LEU A 16 0.346 -9.440 -2.705 1.00 0.00 O ATOM 183 CB LEU A 16 0.799 -12.372 -4.095 1.00 0.00 C ATOM 184 CG LEU A 16 -0.165 -13.262 -4.881 1.00 0.00 C ATOM 185 CD1 LEU A 16 0.055 -14.726 -4.531 1.00 0.00 C ATOM 186 CD2 LEU A 16 -1.606 -12.858 -4.610 1.00 0.00 C ATOM 0 H LEU A 16 2.637 -11.391 -5.556 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.104 -10.600 -4.914 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.798 -12.801 -4.167 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.514 -12.402 -3.043 1.00 0.00 H new ATOM 0 HG LEU A 16 0.034 -13.130 -5.944 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.640 -15.344 -5.100 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.078 -15.009 -4.777 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.116 -14.875 -3.465 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.277 -13.502 -5.178 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.819 -12.960 -3.546 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.756 -11.821 -4.912 1.00 0.00 H new ATOM 198 N LEU A 17 2.515 -9.931 -3.045 1.00 0.00 N ATOM 199 CA LEU A 17 2.987 -9.118 -1.930 1.00 0.00 C ATOM 200 C LEU A 17 3.130 -7.657 -2.344 1.00 0.00 C ATOM 201 O LEU A 17 3.226 -7.343 -3.532 1.00 0.00 O ATOM 202 CB LEU A 17 4.327 -9.647 -1.417 1.00 0.00 C ATOM 203 CG LEU A 17 4.348 -11.113 -0.982 1.00 0.00 C ATOM 204 CD1 LEU A 17 5.776 -11.582 -0.754 1.00 0.00 C ATOM 205 CD2 LEU A 17 3.514 -11.308 0.275 1.00 0.00 C ATOM 0 H LEU A 17 3.254 -10.408 -3.562 1.00 0.00 H new ATOM 0 HA LEU A 17 2.249 -9.180 -1.130 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.073 -9.511 -2.200 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.637 -9.033 -0.571 1.00 0.00 H new ATOM 0 HG LEU A 17 3.913 -11.715 -1.780 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.771 -12.627 -0.445 1.00 0.00 H new ATOM 0 HD12 LEU A 17 6.345 -11.480 -1.678 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.238 -10.976 0.025 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.540 -12.357 0.570 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.920 -10.694 1.080 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.484 -11.012 0.077 1.00 0.00 H new ATOM 217 N CYS A 18 3.146 -6.766 -1.358 1.00 0.00 N ATOM 218 CA CYS A 18 3.279 -5.338 -1.620 1.00 0.00 C ATOM 219 C CYS A 18 4.672 -5.008 -2.145 1.00 0.00 C ATOM 220 O CYS A 18 5.570 -5.851 -2.127 1.00 0.00 O ATOM 221 CB CYS A 18 3.000 -4.537 -0.346 1.00 0.00 C ATOM 222 SG CYS A 18 4.354 -4.582 0.872 1.00 0.00 S ATOM 0 H CYS A 18 3.068 -7.008 -0.370 1.00 0.00 H new ATOM 0 HA CYS A 18 2.549 -5.065 -2.382 1.00 0.00 H new ATOM 0 HB2 CYS A 18 2.804 -3.500 -0.617 1.00 0.00 H new ATOM 0 HB3 CYS A 18 2.093 -4.921 0.121 1.00 0.00 H new ATOM 227 N LEU A 19 4.847 -3.777 -2.614 1.00 0.00 N ATOM 228 CA LEU A 19 6.131 -3.336 -3.146 1.00 0.00 C ATOM 229 C LEU A 19 6.860 -2.451 -2.140 1.00 0.00 C ATOM 230 O LEU A 19 7.530 -1.488 -2.516 1.00 0.00 O ATOM 231 CB LEU A 19 5.928 -2.575 -4.458 1.00 0.00 C ATOM 232 CG LEU A 19 5.070 -3.275 -5.513 1.00 0.00 C ATOM 233 CD1 LEU A 19 4.736 -2.320 -6.648 1.00 0.00 C ATOM 234 CD2 LEU A 19 5.780 -4.511 -6.044 1.00 0.00 C ATOM 0 H LEU A 19 4.115 -3.067 -2.636 1.00 0.00 H new ATOM 0 HA LEU A 19 6.741 -4.219 -3.336 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.473 -1.611 -4.229 1.00 0.00 H new ATOM 0 HB3 LEU A 19 6.907 -2.371 -4.892 1.00 0.00 H new ATOM 0 HG LEU A 19 4.138 -3.590 -5.045 1.00 0.00 H new ATOM 0 HD11 LEU A 19 4.125 -2.835 -7.389 1.00 0.00 H new ATOM 0 HD12 LEU A 19 4.185 -1.466 -6.254 1.00 0.00 H new ATOM 0 HD13 LEU A 19 5.658 -1.973 -7.115 1.00 0.00 H new ATOM 0 HD21 LEU A 19 5.155 -4.996 -6.793 1.00 0.00 H new ATOM 0 HD22 LEU A 19 6.728 -4.220 -6.496 1.00 0.00 H new ATOM 0 HD23 LEU A 19 5.967 -5.204 -5.224 1.00 0.00 H new ATOM 246 N ILE A 20 6.728 -2.785 -0.861 1.00 0.00 N ATOM 247 CA ILE A 20 7.379 -2.023 0.198 1.00 0.00 C ATOM 248 C ILE A 20 8.102 -2.944 1.174 1.00 0.00 C ATOM 249 O ILE A 20 9.332 -3.007 1.190 1.00 0.00 O ATOM 250 CB ILE A 20 6.364 -1.164 0.977 1.00 0.00 C ATOM 251 CG1 ILE A 20 5.954 0.055 0.149 1.00 0.00 C ATOM 252 CG2 ILE A 20 6.952 -0.730 2.311 1.00 0.00 C ATOM 253 CD1 ILE A 20 4.797 0.828 0.743 1.00 0.00 C ATOM 0 H ILE A 20 6.177 -3.578 -0.533 1.00 0.00 H new ATOM 0 HA ILE A 20 8.105 -1.368 -0.284 1.00 0.00 H new ATOM 0 HB ILE A 20 5.475 -1.764 1.171 1.00 0.00 H new ATOM 0 HG12 ILE A 20 6.811 0.721 0.048 1.00 0.00 H new ATOM 0 HG13 ILE A 20 5.684 -0.272 -0.855 1.00 0.00 H new ATOM 0 HG21 ILE A 20 6.224 -0.124 2.850 1.00 0.00 H new ATOM 0 HG22 ILE A 20 7.200 -1.611 2.903 1.00 0.00 H new ATOM 0 HG23 ILE A 20 7.854 -0.144 2.137 1.00 0.00 H new ATOM 0 HD11 ILE A 20 4.561 1.678 0.103 1.00 0.00 H new ATOM 0 HD12 ILE A 20 3.926 0.178 0.819 1.00 0.00 H new ATOM 0 HD13 ILE A 20 5.070 1.186 1.736 1.00 0.00 H new ATOM 265 N CYS A 21 7.332 -3.660 1.986 1.00 0.00 N ATOM 266 CA CYS A 21 7.897 -4.580 2.965 1.00 0.00 C ATOM 267 C CYS A 21 7.854 -6.016 2.450 1.00 0.00 C ATOM 268 O CYS A 21 8.468 -6.913 3.028 1.00 0.00 O ATOM 269 CB CYS A 21 7.139 -4.478 4.290 1.00 0.00 C ATOM 270 SG CYS A 21 5.428 -5.099 4.216 1.00 0.00 S ATOM 0 H CYS A 21 6.313 -3.620 1.985 1.00 0.00 H new ATOM 0 HA CYS A 21 8.938 -4.302 3.129 1.00 0.00 H new ATOM 0 HB2 CYS A 21 7.684 -5.035 5.052 1.00 0.00 H new ATOM 0 HB3 CYS A 21 7.123 -3.436 4.608 1.00 0.00 H new ATOM 275 N LYS A 22 7.125 -6.225 1.360 1.00 0.00 N ATOM 276 CA LYS A 22 7.001 -7.551 0.764 1.00 0.00 C ATOM 277 C LYS A 22 6.293 -8.511 1.715 1.00 0.00 C ATOM 278 O LYS A 22 6.816 -9.576 2.039 1.00 0.00 O ATOM 279 CB LYS A 22 8.383 -8.101 0.403 1.00 0.00 C ATOM 280 CG LYS A 22 9.165 -7.209 -0.544 1.00 0.00 C ATOM 281 CD LYS A 22 8.584 -7.242 -1.948 1.00 0.00 C ATOM 282 CE LYS A 22 9.254 -8.304 -2.805 1.00 0.00 C ATOM 283 NZ LYS A 22 8.518 -9.597 -2.762 1.00 0.00 N ATOM 0 H LYS A 22 6.610 -5.493 0.870 1.00 0.00 H new ATOM 0 HA LYS A 22 6.404 -7.460 -0.143 1.00 0.00 H new ATOM 0 HB2 LYS A 22 8.960 -8.239 1.318 1.00 0.00 H new ATOM 0 HB3 LYS A 22 8.266 -9.085 -0.052 1.00 0.00 H new ATOM 0 HG2 LYS A 22 9.158 -6.185 -0.170 1.00 0.00 H new ATOM 0 HG3 LYS A 22 10.206 -7.531 -0.572 1.00 0.00 H new ATOM 0 HD2 LYS A 22 7.513 -7.438 -1.895 1.00 0.00 H new ATOM 0 HD3 LYS A 22 8.706 -6.265 -2.416 1.00 0.00 H new ATOM 0 HE2 LYS A 22 9.314 -7.954 -3.836 1.00 0.00 H new ATOM 0 HE3 LYS A 22 10.277 -8.457 -2.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 8.730 -10.146 -3.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 8.813 -10.137 -1.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 7.496 -9.413 -2.713 1.00 0.00 H new ATOM 297 N ASP A 23 5.101 -8.126 2.157 1.00 0.00 N ATOM 298 CA ASP A 23 4.319 -8.953 3.067 1.00 0.00 C ATOM 299 C ASP A 23 2.877 -9.078 2.586 1.00 0.00 C ATOM 300 O ASP A 23 2.325 -8.147 2.000 1.00 0.00 O ATOM 301 CB ASP A 23 4.349 -8.364 4.479 1.00 0.00 C ATOM 302 CG ASP A 23 5.689 -8.560 5.159 1.00 0.00 C ATOM 303 OD1 ASP A 23 6.346 -9.589 4.893 1.00 0.00 O ATOM 304 OD2 ASP A 23 6.084 -7.682 5.956 1.00 0.00 O ATOM 0 H ASP A 23 4.655 -7.246 1.899 1.00 0.00 H new ATOM 0 HA ASP A 23 4.764 -9.948 3.087 1.00 0.00 H new ATOM 0 HB2 ASP A 23 4.122 -7.299 4.430 1.00 0.00 H new ATOM 0 HB3 ASP A 23 3.568 -8.829 5.080 1.00 0.00 H new ATOM 309 N ILE A 24 2.274 -10.236 2.837 1.00 0.00 N ATOM 310 CA ILE A 24 0.895 -10.482 2.429 1.00 0.00 C ATOM 311 C ILE A 24 -0.011 -9.321 2.824 1.00 0.00 C ATOM 312 O ILE A 24 -0.077 -8.943 3.993 1.00 0.00 O ATOM 313 CB ILE A 24 0.348 -11.780 3.050 1.00 0.00 C ATOM 314 CG1 ILE A 24 1.214 -12.973 2.639 1.00 0.00 C ATOM 315 CG2 ILE A 24 -1.098 -12.000 2.632 1.00 0.00 C ATOM 316 CD1 ILE A 24 1.127 -14.141 3.595 1.00 0.00 C ATOM 0 H ILE A 24 2.717 -11.017 3.320 1.00 0.00 H new ATOM 0 HA ILE A 24 0.900 -10.582 1.344 1.00 0.00 H new ATOM 0 HB ILE A 24 0.382 -11.687 4.136 1.00 0.00 H new ATOM 0 HG12 ILE A 24 0.913 -13.304 1.645 1.00 0.00 H new ATOM 0 HG13 ILE A 24 2.252 -12.650 2.567 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -1.470 -12.922 3.079 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -1.706 -11.161 2.971 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -1.155 -12.075 1.546 1.00 0.00 H new ATOM 0 HD11 ILE A 24 1.766 -14.950 3.241 1.00 0.00 H new ATOM 0 HD12 ILE A 24 1.456 -13.826 4.585 1.00 0.00 H new ATOM 0 HD13 ILE A 24 0.096 -14.491 3.649 1.00 0.00 H new ATOM 328 N MET A 25 -0.708 -8.762 1.841 1.00 0.00 N ATOM 329 CA MET A 25 -1.614 -7.645 2.087 1.00 0.00 C ATOM 330 C MET A 25 -3.003 -8.146 2.471 1.00 0.00 C ATOM 331 O MET A 25 -3.876 -8.306 1.617 1.00 0.00 O ATOM 332 CB MET A 25 -1.706 -6.753 0.848 1.00 0.00 C ATOM 333 CG MET A 25 -0.357 -6.252 0.358 1.00 0.00 C ATOM 334 SD MET A 25 0.418 -7.379 -0.817 1.00 0.00 S ATOM 335 CE MET A 25 -0.172 -6.709 -2.369 1.00 0.00 C ATOM 0 H MET A 25 -0.664 -9.063 0.867 1.00 0.00 H new ATOM 0 HA MET A 25 -1.215 -7.062 2.917 1.00 0.00 H new ATOM 0 HB2 MET A 25 -2.191 -7.309 0.046 1.00 0.00 H new ATOM 0 HB3 MET A 25 -2.342 -5.897 1.073 1.00 0.00 H new ATOM 0 HG2 MET A 25 -0.485 -5.276 -0.111 1.00 0.00 H new ATOM 0 HG3 MET A 25 0.306 -6.111 1.212 1.00 0.00 H new ATOM 0 HE1 MET A 25 0.452 -7.075 -3.184 1.00 0.00 H new ATOM 0 HE2 MET A 25 -1.203 -7.023 -2.532 1.00 0.00 H new ATOM 0 HE3 MET A 25 -0.125 -5.621 -2.337 1.00 0.00 H new ATOM 345 N THR A 26 -3.202 -8.393 3.762 1.00 0.00 N ATOM 346 CA THR A 26 -4.484 -8.878 4.258 1.00 0.00 C ATOM 347 C THR A 26 -5.644 -8.158 3.580 1.00 0.00 C ATOM 348 O THR A 26 -6.675 -8.763 3.287 1.00 0.00 O ATOM 349 CB THR A 26 -4.601 -8.694 5.784 1.00 0.00 C ATOM 350 OG1 THR A 26 -5.864 -9.190 6.241 1.00 0.00 O ATOM 351 CG2 THR A 26 -4.460 -7.227 6.164 1.00 0.00 C ATOM 0 H THR A 26 -2.492 -8.265 4.483 1.00 0.00 H new ATOM 0 HA THR A 26 -4.533 -9.941 4.022 1.00 0.00 H new ATOM 0 HB THR A 26 -3.796 -9.256 6.259 1.00 0.00 H new ATOM 0 HG1 THR A 26 -6.560 -8.522 6.067 1.00 0.00 H new ATOM 0 HG21 THR A 26 -4.546 -7.121 7.245 1.00 0.00 H new ATOM 0 HG22 THR A 26 -3.487 -6.859 5.840 1.00 0.00 H new ATOM 0 HG23 THR A 26 -5.246 -6.648 5.679 1.00 0.00 H new ATOM 359 N ASP A 27 -5.468 -6.865 3.333 1.00 0.00 N ATOM 360 CA ASP A 27 -6.501 -6.063 2.687 1.00 0.00 C ATOM 361 C ASP A 27 -5.918 -5.257 1.530 1.00 0.00 C ATOM 362 O ASP A 27 -6.160 -4.056 1.412 1.00 0.00 O ATOM 363 CB ASP A 27 -7.154 -5.122 3.701 1.00 0.00 C ATOM 364 CG ASP A 27 -7.925 -5.870 4.771 1.00 0.00 C ATOM 365 OD1 ASP A 27 -7.392 -6.870 5.297 1.00 0.00 O ATOM 366 OD2 ASP A 27 -9.061 -5.456 5.082 1.00 0.00 O ATOM 0 H ASP A 27 -4.620 -6.350 3.570 1.00 0.00 H new ATOM 0 HA ASP A 27 -7.258 -6.740 2.291 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -6.385 -4.510 4.172 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -7.828 -4.442 3.180 1.00 0.00 H new ATOM 371 N ALA A 28 -5.147 -5.926 0.678 1.00 0.00 N ATOM 372 CA ALA A 28 -4.531 -5.273 -0.469 1.00 0.00 C ATOM 373 C ALA A 28 -5.413 -4.148 -0.999 1.00 0.00 C ATOM 374 O ALA A 28 -6.575 -4.365 -1.343 1.00 0.00 O ATOM 375 CB ALA A 28 -4.251 -6.289 -1.567 1.00 0.00 C ATOM 0 H ALA A 28 -4.935 -6.920 0.762 1.00 0.00 H new ATOM 0 HA ALA A 28 -3.587 -4.836 -0.144 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -3.791 -5.787 -2.418 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -3.575 -7.056 -1.189 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -5.186 -6.752 -1.881 1.00 0.00 H new ATOM 381 N VAL A 29 -4.853 -2.943 -1.062 1.00 0.00 N ATOM 382 CA VAL A 29 -5.590 -1.783 -1.551 1.00 0.00 C ATOM 383 C VAL A 29 -4.963 -1.233 -2.828 1.00 0.00 C ATOM 384 O VAL A 29 -3.783 -0.880 -2.852 1.00 0.00 O ATOM 385 CB VAL A 29 -5.639 -0.664 -0.494 1.00 0.00 C ATOM 386 CG1 VAL A 29 -6.542 -1.064 0.663 1.00 0.00 C ATOM 387 CG2 VAL A 29 -4.239 -0.335 0.001 1.00 0.00 C ATOM 0 H VAL A 29 -3.893 -2.745 -0.781 1.00 0.00 H new ATOM 0 HA VAL A 29 -6.605 -2.118 -1.763 1.00 0.00 H new ATOM 0 HB VAL A 29 -6.054 0.231 -0.957 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -6.565 -0.262 1.401 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -7.551 -1.245 0.292 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -6.158 -1.973 1.127 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -4.294 0.458 0.747 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -3.793 -1.224 0.448 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -3.626 -0.003 -0.837 1.00 0.00 H new ATOM 397 N VAL A 30 -5.761 -1.162 -3.889 1.00 0.00 N ATOM 398 CA VAL A 30 -5.286 -0.653 -5.170 1.00 0.00 C ATOM 399 C VAL A 30 -5.308 0.871 -5.198 1.00 0.00 C ATOM 400 O VAL A 30 -6.314 1.493 -4.856 1.00 0.00 O ATOM 401 CB VAL A 30 -6.134 -1.190 -6.337 1.00 0.00 C ATOM 402 CG1 VAL A 30 -5.673 -0.588 -7.656 1.00 0.00 C ATOM 403 CG2 VAL A 30 -6.074 -2.709 -6.386 1.00 0.00 C ATOM 0 H VAL A 30 -6.739 -1.451 -3.886 1.00 0.00 H new ATOM 0 HA VAL A 30 -4.260 -1.001 -5.288 1.00 0.00 H new ATOM 0 HB VAL A 30 -7.171 -0.895 -6.173 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.285 -0.980 -8.468 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -5.774 0.497 -7.616 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.629 -0.849 -7.830 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.679 -3.070 -7.217 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -5.041 -3.028 -6.524 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -6.459 -3.119 -5.452 1.00 0.00 H new ATOM 413 N ILE A 31 -4.194 1.466 -5.610 1.00 0.00 N ATOM 414 CA ILE A 31 -4.086 2.917 -5.684 1.00 0.00 C ATOM 415 C ILE A 31 -4.443 3.424 -7.077 1.00 0.00 C ATOM 416 O ILE A 31 -4.042 2.856 -8.094 1.00 0.00 O ATOM 417 CB ILE A 31 -2.668 3.396 -5.324 1.00 0.00 C ATOM 418 CG1 ILE A 31 -2.723 4.779 -4.669 1.00 0.00 C ATOM 419 CG2 ILE A 31 -1.788 3.427 -6.565 1.00 0.00 C ATOM 420 CD1 ILE A 31 -1.461 5.143 -3.920 1.00 0.00 C ATOM 0 H ILE A 31 -3.353 0.965 -5.898 1.00 0.00 H new ATOM 0 HA ILE A 31 -4.792 3.323 -4.959 1.00 0.00 H new ATOM 0 HB ILE A 31 -2.234 2.694 -4.612 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -2.909 5.529 -5.438 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.567 4.813 -3.980 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -0.789 3.768 -6.294 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -1.727 2.426 -6.993 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -2.217 4.109 -7.299 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -1.571 6.135 -3.482 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -1.285 4.415 -3.129 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -0.616 5.142 -4.609 1.00 0.00 H new ATOM 432 N PRO A 32 -5.215 4.521 -7.129 1.00 0.00 N ATOM 433 CA PRO A 32 -5.641 5.130 -8.393 1.00 0.00 C ATOM 434 C PRO A 32 -4.485 5.789 -9.137 1.00 0.00 C ATOM 435 O PRO A 32 -4.255 5.513 -10.315 1.00 0.00 O ATOM 436 CB PRO A 32 -6.662 6.181 -7.952 1.00 0.00 C ATOM 437 CG PRO A 32 -6.281 6.516 -6.551 1.00 0.00 C ATOM 438 CD PRO A 32 -5.730 5.249 -5.958 1.00 0.00 C ATOM 0 HA PRO A 32 -6.041 4.392 -9.088 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -6.626 7.062 -8.593 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -7.679 5.791 -8.003 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -5.538 7.313 -6.529 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -7.144 6.869 -5.986 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -4.942 5.454 -5.234 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -6.501 4.680 -5.438 1.00 0.00 H new ATOM 446 N CYS A 33 -3.760 6.660 -8.443 1.00 0.00 N ATOM 447 CA CYS A 33 -2.628 7.358 -9.039 1.00 0.00 C ATOM 448 C CYS A 33 -1.979 6.513 -10.130 1.00 0.00 C ATOM 449 O CYS A 33 -1.695 7.002 -11.224 1.00 0.00 O ATOM 450 CB CYS A 33 -1.595 7.706 -7.965 1.00 0.00 C ATOM 451 SG CYS A 33 -1.042 6.278 -6.976 1.00 0.00 S ATOM 0 H CYS A 33 -3.937 6.899 -7.467 1.00 0.00 H new ATOM 0 HA CYS A 33 -2.998 8.278 -9.491 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -0.728 8.161 -8.444 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -2.020 8.455 -7.297 1.00 0.00 H new ATOM 456 N CYS A 34 -1.748 5.240 -9.826 1.00 0.00 N ATOM 457 CA CYS A 34 -1.133 4.324 -10.780 1.00 0.00 C ATOM 458 C CYS A 34 -1.876 2.992 -10.810 1.00 0.00 C ATOM 459 O CYS A 34 -2.353 2.559 -11.858 1.00 0.00 O ATOM 460 CB CYS A 34 0.337 4.093 -10.422 1.00 0.00 C ATOM 461 SG CYS A 34 0.620 3.685 -8.670 1.00 0.00 S ATOM 0 H CYS A 34 -1.978 4.819 -8.926 1.00 0.00 H new ATOM 0 HA CYS A 34 -1.192 4.776 -11.770 1.00 0.00 H new ATOM 0 HB2 CYS A 34 0.728 3.285 -11.040 1.00 0.00 H new ATOM 0 HB3 CYS A 34 0.906 4.989 -10.672 1.00 0.00 H new ATOM 466 N GLY A 35 -1.969 2.345 -9.651 1.00 0.00 N ATOM 467 CA GLY A 35 -2.654 1.069 -9.567 1.00 0.00 C ATOM 468 C GLY A 35 -2.040 0.148 -8.530 1.00 0.00 C ATOM 469 O GLY A 35 -2.754 -0.519 -7.783 1.00 0.00 O ATOM 0 H GLY A 35 -1.582 2.682 -8.770 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -3.703 1.238 -9.322 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -2.629 0.582 -10.542 1.00 0.00 H new ATOM 473 N ASN A 36 -0.712 0.112 -8.486 1.00 0.00 N ATOM 474 CA ASN A 36 -0.003 -0.735 -7.534 1.00 0.00 C ATOM 475 C ASN A 36 -0.737 -0.785 -6.197 1.00 0.00 C ATOM 476 O ASN A 36 -1.369 0.188 -5.788 1.00 0.00 O ATOM 477 CB ASN A 36 1.423 -0.221 -7.326 1.00 0.00 C ATOM 478 CG ASN A 36 2.061 0.252 -8.618 1.00 0.00 C ATOM 479 OD1 ASN A 36 1.630 -0.121 -9.709 1.00 0.00 O ATOM 480 ND2 ASN A 36 3.094 1.079 -8.500 1.00 0.00 N ATOM 0 H ASN A 36 -0.106 0.659 -9.098 1.00 0.00 H new ATOM 0 HA ASN A 36 0.037 -1.744 -7.944 1.00 0.00 H new ATOM 0 HB2 ASN A 36 1.410 0.600 -6.609 1.00 0.00 H new ATOM 0 HB3 ASN A 36 2.032 -1.014 -6.892 1.00 0.00 H new ATOM 0 HD21 ASN A 36 3.563 1.431 -9.334 1.00 0.00 H new ATOM 0 HD22 ASN A 36 3.418 1.362 -7.575 1.00 0.00 H new ATOM 487 N SER A 37 -0.648 -1.927 -5.523 1.00 0.00 N ATOM 488 CA SER A 37 -1.306 -2.105 -4.233 1.00 0.00 C ATOM 489 C SER A 37 -0.280 -2.215 -3.110 1.00 0.00 C ATOM 490 O SER A 37 0.870 -2.590 -3.338 1.00 0.00 O ATOM 491 CB SER A 37 -2.189 -3.355 -4.257 1.00 0.00 C ATOM 492 OG SER A 37 -3.201 -3.283 -3.266 1.00 0.00 O ATOM 0 H SER A 37 -0.128 -2.742 -5.848 1.00 0.00 H new ATOM 0 HA SER A 37 -1.930 -1.231 -4.047 1.00 0.00 H new ATOM 0 HB2 SER A 37 -2.646 -3.463 -5.241 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.576 -4.241 -4.092 1.00 0.00 H new ATOM 0 HG SER A 37 -3.926 -3.901 -3.494 1.00 0.00 H new ATOM 498 N TYR A 38 -0.704 -1.884 -1.896 1.00 0.00 N ATOM 499 CA TYR A 38 0.177 -1.942 -0.736 1.00 0.00 C ATOM 500 C TYR A 38 -0.601 -2.315 0.522 1.00 0.00 C ATOM 501 O TYR A 38 -1.829 -2.226 0.556 1.00 0.00 O ATOM 502 CB TYR A 38 0.880 -0.599 -0.534 1.00 0.00 C ATOM 503 CG TYR A 38 1.693 -0.156 -1.730 1.00 0.00 C ATOM 504 CD1 TYR A 38 1.100 0.531 -2.782 1.00 0.00 C ATOM 505 CD2 TYR A 38 3.053 -0.426 -1.809 1.00 0.00 C ATOM 506 CE1 TYR A 38 1.839 0.938 -3.877 1.00 0.00 C ATOM 507 CE2 TYR A 38 3.800 -0.022 -2.898 1.00 0.00 C ATOM 508 CZ TYR A 38 3.188 0.658 -3.930 1.00 0.00 C ATOM 509 OH TYR A 38 3.928 1.062 -5.018 1.00 0.00 O ATOM 0 H TYR A 38 -1.653 -1.572 -1.689 1.00 0.00 H new ATOM 0 HA TYR A 38 0.926 -2.712 -0.920 1.00 0.00 H new ATOM 0 HB2 TYR A 38 0.133 0.163 -0.310 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.535 -0.668 0.335 1.00 0.00 H new ATOM 0 HD1 TYR A 38 0.043 0.751 -2.744 1.00 0.00 H new ATOM 0 HD2 TYR A 38 3.535 -0.961 -1.004 1.00 0.00 H new ATOM 0 HE1 TYR A 38 1.363 1.472 -4.686 1.00 0.00 H new ATOM 0 HE2 TYR A 38 4.857 -0.237 -2.941 1.00 0.00 H new ATOM 0 HH TYR A 38 4.669 0.436 -5.160 1.00 0.00 H new ATOM 519 N CYS A 39 0.122 -2.731 1.556 1.00 0.00 N ATOM 520 CA CYS A 39 -0.498 -3.118 2.818 1.00 0.00 C ATOM 521 C CYS A 39 -1.299 -1.962 3.407 1.00 0.00 C ATOM 522 O CYS A 39 -0.828 -0.825 3.452 1.00 0.00 O ATOM 523 CB CYS A 39 0.568 -3.574 3.816 1.00 0.00 C ATOM 524 SG CYS A 39 1.674 -4.875 3.180 1.00 0.00 S ATOM 0 H CYS A 39 1.139 -2.809 1.545 1.00 0.00 H new ATOM 0 HA CYS A 39 -1.179 -3.946 2.620 1.00 0.00 H new ATOM 0 HB2 CYS A 39 1.168 -2.713 4.109 1.00 0.00 H new ATOM 0 HB3 CYS A 39 0.075 -3.940 4.717 1.00 0.00 H new ATOM 529 N ASP A 40 -2.513 -2.258 3.858 1.00 0.00 N ATOM 530 CA ASP A 40 -3.381 -1.244 4.446 1.00 0.00 C ATOM 531 C ASP A 40 -2.582 -0.296 5.334 1.00 0.00 C ATOM 532 O ASP A 40 -2.975 0.852 5.543 1.00 0.00 O ATOM 533 CB ASP A 40 -4.497 -1.905 5.256 1.00 0.00 C ATOM 534 CG ASP A 40 -4.981 -1.029 6.395 1.00 0.00 C ATOM 535 OD1 ASP A 40 -5.673 -0.026 6.121 1.00 0.00 O ATOM 536 OD2 ASP A 40 -4.669 -1.347 7.561 1.00 0.00 O ATOM 0 H ASP A 40 -2.919 -3.193 3.828 1.00 0.00 H new ATOM 0 HA ASP A 40 -3.826 -0.666 3.636 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -5.334 -2.134 4.597 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -4.138 -2.853 5.657 1.00 0.00 H new ATOM 541 N GLU A 41 -1.461 -0.784 5.854 1.00 0.00 N ATOM 542 CA GLU A 41 -0.609 0.021 6.723 1.00 0.00 C ATOM 543 C GLU A 41 0.526 0.663 5.929 1.00 0.00 C ATOM 544 O GLU A 41 0.735 1.874 5.992 1.00 0.00 O ATOM 545 CB GLU A 41 -0.034 -0.839 7.850 1.00 0.00 C ATOM 546 CG GLU A 41 0.719 -0.042 8.902 1.00 0.00 C ATOM 547 CD GLU A 41 -0.205 0.604 9.916 1.00 0.00 C ATOM 548 OE1 GLU A 41 -1.293 1.071 9.517 1.00 0.00 O ATOM 549 OE2 GLU A 41 0.159 0.642 11.110 1.00 0.00 O ATOM 0 H GLU A 41 -1.121 -1.732 5.689 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.220 0.813 7.156 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -0.847 -1.383 8.331 1.00 0.00 H new ATOM 0 HB3 GLU A 41 0.637 -1.583 7.421 1.00 0.00 H new ATOM 0 HG2 GLU A 41 1.418 -0.699 9.420 1.00 0.00 H new ATOM 0 HG3 GLU A 41 1.312 0.731 8.412 1.00 0.00 H new ATOM 556 N CYS A 42 1.255 -0.159 5.181 1.00 0.00 N ATOM 557 CA CYS A 42 2.369 0.326 4.376 1.00 0.00 C ATOM 558 C CYS A 42 2.053 1.694 3.777 1.00 0.00 C ATOM 559 O CYS A 42 2.604 2.710 4.200 1.00 0.00 O ATOM 560 CB CYS A 42 2.690 -0.670 3.260 1.00 0.00 C ATOM 561 SG CYS A 42 3.955 -1.902 3.703 1.00 0.00 S ATOM 0 H CYS A 42 1.094 -1.164 5.116 1.00 0.00 H new ATOM 0 HA CYS A 42 3.238 0.426 5.026 1.00 0.00 H new ATOM 0 HB2 CYS A 42 1.775 -1.190 2.978 1.00 0.00 H new ATOM 0 HB3 CYS A 42 3.027 -0.119 2.382 1.00 0.00 H new ATOM 566 N ILE A 43 1.162 1.709 2.791 1.00 0.00 N ATOM 567 CA ILE A 43 0.772 2.952 2.136 1.00 0.00 C ATOM 568 C ILE A 43 0.307 3.988 3.153 1.00 0.00 C ATOM 569 O ILE A 43 0.689 5.156 3.082 1.00 0.00 O ATOM 570 CB ILE A 43 -0.352 2.717 1.109 1.00 0.00 C ATOM 571 CG1 ILE A 43 -0.689 4.021 0.382 1.00 0.00 C ATOM 572 CG2 ILE A 43 -1.587 2.152 1.795 1.00 0.00 C ATOM 573 CD1 ILE A 43 0.400 4.487 -0.559 1.00 0.00 C ATOM 0 H ILE A 43 0.697 0.876 2.429 1.00 0.00 H new ATOM 0 HA ILE A 43 1.655 3.327 1.618 1.00 0.00 H new ATOM 0 HB ILE A 43 -0.006 1.992 0.373 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -1.612 3.885 -0.182 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -0.878 4.800 1.120 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -2.372 1.991 1.056 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.337 1.204 2.271 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -1.938 2.856 2.550 1.00 0.00 H new ATOM 0 HD11 ILE A 43 0.093 5.416 -1.039 1.00 0.00 H new ATOM 0 HD12 ILE A 43 1.319 4.655 0.003 1.00 0.00 H new ATOM 0 HD13 ILE A 43 0.574 3.726 -1.319 1.00 0.00 H new ATOM 585 N ARG A 44 -0.515 3.552 4.100 1.00 0.00 N ATOM 586 CA ARG A 44 -1.031 4.441 5.135 1.00 0.00 C ATOM 587 C ARG A 44 0.082 5.314 5.705 1.00 0.00 C ATOM 588 O ARG A 44 -0.085 6.522 5.874 1.00 0.00 O ATOM 589 CB ARG A 44 -1.685 3.630 6.255 1.00 0.00 C ATOM 590 CG ARG A 44 -2.414 4.485 7.279 1.00 0.00 C ATOM 591 CD ARG A 44 -2.661 3.719 8.569 1.00 0.00 C ATOM 592 NE ARG A 44 -3.621 2.634 8.386 1.00 0.00 N ATOM 593 CZ ARG A 44 -4.268 2.049 9.387 1.00 0.00 C ATOM 594 NH1 ARG A 44 -4.058 2.440 10.637 1.00 0.00 N ATOM 595 NH2 ARG A 44 -5.127 1.067 9.141 1.00 0.00 N ATOM 0 H ARG A 44 -0.839 2.588 4.173 1.00 0.00 H new ATOM 0 HA ARG A 44 -1.781 5.089 4.682 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -2.389 2.923 5.817 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -0.919 3.044 6.763 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -1.828 5.379 7.492 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -3.365 4.819 6.865 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -1.719 3.311 8.935 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -3.029 4.404 9.333 1.00 0.00 H new ATOM 0 HE ARG A 44 -3.805 2.308 7.437 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -3.398 3.193 10.832 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -4.557 1.988 11.403 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -5.291 0.761 8.182 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -5.623 0.619 9.911 1.00 0.00 H new ATOM 609 N THR A 45 1.220 4.693 6.003 1.00 0.00 N ATOM 610 CA THR A 45 2.360 5.412 6.557 1.00 0.00 C ATOM 611 C THR A 45 3.155 6.111 5.460 1.00 0.00 C ATOM 612 O THR A 45 3.475 7.294 5.569 1.00 0.00 O ATOM 613 CB THR A 45 3.297 4.467 7.332 1.00 0.00 C ATOM 614 OG1 THR A 45 2.585 3.846 8.409 1.00 0.00 O ATOM 615 CG2 THR A 45 4.497 5.225 7.881 1.00 0.00 C ATOM 0 H THR A 45 1.376 3.694 5.870 1.00 0.00 H new ATOM 0 HA THR A 45 1.960 6.158 7.243 1.00 0.00 H new ATOM 0 HB THR A 45 3.655 3.701 6.644 1.00 0.00 H new ATOM 0 HG1 THR A 45 3.187 3.245 8.896 1.00 0.00 H new ATOM 0 HG21 THR A 45 5.144 4.537 8.424 1.00 0.00 H new ATOM 0 HG22 THR A 45 5.053 5.672 7.057 1.00 0.00 H new ATOM 0 HG23 THR A 45 4.154 6.010 8.555 1.00 0.00 H new ATOM 623 N ALA A 46 3.473 5.370 4.403 1.00 0.00 N ATOM 624 CA ALA A 46 4.229 5.919 3.285 1.00 0.00 C ATOM 625 C ALA A 46 3.758 7.329 2.944 1.00 0.00 C ATOM 626 O ALA A 46 4.552 8.270 2.918 1.00 0.00 O ATOM 627 CB ALA A 46 4.107 5.012 2.069 1.00 0.00 C ATOM 0 H ALA A 46 3.218 4.388 4.298 1.00 0.00 H new ATOM 0 HA ALA A 46 5.277 5.975 3.580 1.00 0.00 H new ATOM 0 HB1 ALA A 46 4.677 5.434 1.241 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.498 4.024 2.311 1.00 0.00 H new ATOM 0 HB3 ALA A 46 3.059 4.927 1.782 1.00 0.00 H new ATOM 633 N LEU A 47 2.463 7.468 2.682 1.00 0.00 N ATOM 634 CA LEU A 47 1.887 8.765 2.341 1.00 0.00 C ATOM 635 C LEU A 47 2.288 9.824 3.363 1.00 0.00 C ATOM 636 O LEU A 47 2.606 10.958 3.003 1.00 0.00 O ATOM 637 CB LEU A 47 0.362 8.662 2.267 1.00 0.00 C ATOM 638 CG LEU A 47 -0.199 7.816 1.124 1.00 0.00 C ATOM 639 CD1 LEU A 47 -1.680 7.542 1.340 1.00 0.00 C ATOM 640 CD2 LEU A 47 0.027 8.508 -0.212 1.00 0.00 C ATOM 0 H LEU A 47 1.792 6.700 2.699 1.00 0.00 H new ATOM 0 HA LEU A 47 2.273 9.063 1.366 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -0.000 8.250 3.209 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -0.046 9.669 2.181 1.00 0.00 H new ATOM 0 HG LEU A 47 0.328 6.862 1.111 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -2.062 6.939 0.517 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.818 7.004 2.278 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -2.223 8.486 1.380 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -0.379 7.892 -1.014 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.474 9.476 -0.210 1.00 0.00 H new ATOM 0 HD23 LEU A 47 1.096 8.653 -0.371 1.00 0.00 H new ATOM 652 N LEU A 48 2.272 9.448 4.636 1.00 0.00 N ATOM 653 CA LEU A 48 2.637 10.365 5.709 1.00 0.00 C ATOM 654 C LEU A 48 4.115 10.734 5.632 1.00 0.00 C ATOM 655 O LEU A 48 4.466 11.908 5.529 1.00 0.00 O ATOM 656 CB LEU A 48 2.327 9.738 7.070 1.00 0.00 C ATOM 657 CG LEU A 48 0.903 9.211 7.258 1.00 0.00 C ATOM 658 CD1 LEU A 48 0.764 8.519 8.605 1.00 0.00 C ATOM 659 CD2 LEU A 48 -0.105 10.343 7.129 1.00 0.00 C ATOM 0 H LEU A 48 2.010 8.514 4.951 1.00 0.00 H new ATOM 0 HA LEU A 48 2.048 11.275 5.591 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.022 8.915 7.235 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.523 10.481 7.843 1.00 0.00 H new ATOM 0 HG LEU A 48 0.699 8.480 6.476 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -0.255 8.151 8.721 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.461 7.682 8.658 1.00 0.00 H new ATOM 0 HD13 LEU A 48 0.987 9.228 9.403 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -1.113 9.950 7.265 1.00 0.00 H new ATOM 0 HD22 LEU A 48 0.096 11.098 7.889 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.022 10.793 6.140 1.00 0.00 H new ATOM 671 N GLU A 49 4.976 9.722 5.681 1.00 0.00 N ATOM 672 CA GLU A 49 6.416 9.941 5.615 1.00 0.00 C ATOM 673 C GLU A 49 6.748 11.082 4.659 1.00 0.00 C ATOM 674 O GLU A 49 7.416 12.046 5.033 1.00 0.00 O ATOM 675 CB GLU A 49 7.129 8.663 5.170 1.00 0.00 C ATOM 676 CG GLU A 49 7.322 7.653 6.288 1.00 0.00 C ATOM 677 CD GLU A 49 7.717 8.303 7.600 1.00 0.00 C ATOM 678 OE1 GLU A 49 6.813 8.757 8.332 1.00 0.00 O ATOM 679 OE2 GLU A 49 8.929 8.358 7.895 1.00 0.00 O ATOM 0 H GLU A 49 4.701 8.743 5.766 1.00 0.00 H new ATOM 0 HA GLU A 49 6.763 10.212 6.612 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.557 8.199 4.367 1.00 0.00 H new ATOM 0 HB3 GLU A 49 8.103 8.925 4.757 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.398 7.091 6.429 1.00 0.00 H new ATOM 0 HG3 GLU A 49 8.090 6.936 5.996 1.00 0.00 H new ATOM 686 N SER A 50 6.280 10.964 3.420 1.00 0.00 N ATOM 687 CA SER A 50 6.530 11.983 2.408 1.00 0.00 C ATOM 688 C SER A 50 5.947 13.328 2.833 1.00 0.00 C ATOM 689 O SER A 50 5.441 13.473 3.946 1.00 0.00 O ATOM 690 CB SER A 50 5.933 11.557 1.066 1.00 0.00 C ATOM 691 OG SER A 50 4.520 11.470 1.140 1.00 0.00 O ATOM 0 H SER A 50 5.726 10.173 3.093 1.00 0.00 H new ATOM 0 HA SER A 50 7.609 12.093 2.299 1.00 0.00 H new ATOM 0 HB2 SER A 50 6.216 12.273 0.295 1.00 0.00 H new ATOM 0 HB3 SER A 50 6.345 10.592 0.771 1.00 0.00 H new ATOM 0 HG SER A 50 4.255 11.219 2.049 1.00 0.00 H new ATOM 697 N ASP A 51 6.022 14.307 1.939 1.00 0.00 N ATOM 698 CA ASP A 51 5.500 15.640 2.219 1.00 0.00 C ATOM 699 C ASP A 51 4.122 15.826 1.592 1.00 0.00 C ATOM 700 O ASP A 51 3.192 16.296 2.246 1.00 0.00 O ATOM 701 CB ASP A 51 6.462 16.707 1.694 1.00 0.00 C ATOM 702 CG ASP A 51 6.290 18.038 2.399 1.00 0.00 C ATOM 703 OD1 ASP A 51 5.130 18.451 2.611 1.00 0.00 O ATOM 704 OD2 ASP A 51 7.313 18.668 2.739 1.00 0.00 O ATOM 0 H ASP A 51 6.439 14.203 1.014 1.00 0.00 H new ATOM 0 HA ASP A 51 5.405 15.748 3.299 1.00 0.00 H new ATOM 0 HB2 ASP A 51 7.488 16.362 1.821 1.00 0.00 H new ATOM 0 HB3 ASP A 51 6.302 16.842 0.624 1.00 0.00 H new ATOM 709 N GLU A 52 4.001 15.458 0.320 1.00 0.00 N ATOM 710 CA GLU A 52 2.736 15.588 -0.393 1.00 0.00 C ATOM 711 C GLU A 52 2.199 14.219 -0.803 1.00 0.00 C ATOM 712 O GLU A 52 1.827 14.005 -1.957 1.00 0.00 O ATOM 713 CB GLU A 52 2.913 16.469 -1.632 1.00 0.00 C ATOM 714 CG GLU A 52 3.127 17.938 -1.308 1.00 0.00 C ATOM 715 CD GLU A 52 4.589 18.282 -1.102 1.00 0.00 C ATOM 716 OE1 GLU A 52 5.417 17.897 -1.955 1.00 0.00 O ATOM 717 OE2 GLU A 52 4.907 18.936 -0.087 1.00 0.00 O ATOM 0 H GLU A 52 4.762 15.068 -0.236 1.00 0.00 H new ATOM 0 HA GLU A 52 2.016 16.056 0.278 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.764 16.105 -2.208 1.00 0.00 H new ATOM 0 HB3 GLU A 52 2.032 16.370 -2.267 1.00 0.00 H new ATOM 0 HG2 GLU A 52 2.725 18.547 -2.117 1.00 0.00 H new ATOM 0 HG3 GLU A 52 2.567 18.193 -0.408 1.00 0.00 H new ATOM 724 N HIS A 53 2.163 13.295 0.152 1.00 0.00 N ATOM 725 CA HIS A 53 1.671 11.946 -0.108 1.00 0.00 C ATOM 726 C HIS A 53 2.076 11.480 -1.503 1.00 0.00 C ATOM 727 O HIS A 53 1.298 10.831 -2.202 1.00 0.00 O ATOM 728 CB HIS A 53 0.150 11.897 0.039 1.00 0.00 C ATOM 729 CG HIS A 53 -0.366 12.694 1.197 1.00 0.00 C ATOM 730 ND1 HIS A 53 -0.892 13.962 1.063 1.00 0.00 N ATOM 731 CD2 HIS A 53 -0.437 12.397 2.515 1.00 0.00 C ATOM 732 CE1 HIS A 53 -1.262 14.410 2.249 1.00 0.00 C ATOM 733 NE2 HIS A 53 -0.996 13.480 3.148 1.00 0.00 N ATOM 0 H HIS A 53 2.468 13.455 1.112 1.00 0.00 H new ATOM 0 HA HIS A 53 2.120 11.275 0.624 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -0.307 12.267 -0.879 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -0.162 10.859 0.155 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -0.114 11.479 2.983 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -1.707 15.374 2.450 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -1.176 13.554 4.149 1.00 0.00 H new ATOM 741 N THR A 54 3.298 11.816 -1.903 1.00 0.00 N ATOM 742 CA THR A 54 3.805 11.435 -3.216 1.00 0.00 C ATOM 743 C THR A 54 4.051 9.933 -3.294 1.00 0.00 C ATOM 744 O THR A 54 4.943 9.404 -2.631 1.00 0.00 O ATOM 745 CB THR A 54 5.113 12.176 -3.550 1.00 0.00 C ATOM 746 OG1 THR A 54 4.891 13.591 -3.537 1.00 0.00 O ATOM 747 CG2 THR A 54 5.642 11.752 -4.912 1.00 0.00 C ATOM 0 H THR A 54 3.956 12.352 -1.336 1.00 0.00 H new ATOM 0 HA THR A 54 3.043 11.715 -3.943 1.00 0.00 H new ATOM 0 HB THR A 54 5.855 11.918 -2.794 1.00 0.00 H new ATOM 0 HG1 THR A 54 4.335 13.842 -4.304 1.00 0.00 H new ATOM 0 HG21 THR A 54 6.566 12.288 -5.126 1.00 0.00 H new ATOM 0 HG22 THR A 54 5.837 10.680 -4.909 1.00 0.00 H new ATOM 0 HG23 THR A 54 4.902 11.984 -5.678 1.00 0.00 H new ATOM 755 N CYS A 55 3.255 9.248 -4.109 1.00 0.00 N ATOM 756 CA CYS A 55 3.386 7.806 -4.275 1.00 0.00 C ATOM 757 C CYS A 55 4.855 7.392 -4.297 1.00 0.00 C ATOM 758 O CYS A 55 5.688 8.004 -4.966 1.00 0.00 O ATOM 759 CB CYS A 55 2.699 7.356 -5.566 1.00 0.00 C ATOM 760 SG CYS A 55 2.148 5.619 -5.547 1.00 0.00 S ATOM 0 H CYS A 55 2.511 9.670 -4.665 1.00 0.00 H new ATOM 0 HA CYS A 55 2.903 7.322 -3.426 1.00 0.00 H new ATOM 0 HB2 CYS A 55 1.837 7.998 -5.749 1.00 0.00 H new ATOM 0 HB3 CYS A 55 3.386 7.499 -6.400 1.00 0.00 H new ATOM 765 N PRO A 56 5.181 6.328 -3.549 1.00 0.00 N ATOM 766 CA PRO A 56 6.549 5.808 -3.466 1.00 0.00 C ATOM 767 C PRO A 56 7.000 5.155 -4.768 1.00 0.00 C ATOM 768 O PRO A 56 8.080 4.566 -4.838 1.00 0.00 O ATOM 769 CB PRO A 56 6.466 4.767 -2.347 1.00 0.00 C ATOM 770 CG PRO A 56 5.039 4.339 -2.334 1.00 0.00 C ATOM 771 CD PRO A 56 4.239 5.550 -2.727 1.00 0.00 C ATOM 0 HA PRO A 56 7.275 6.599 -3.278 1.00 0.00 H new ATOM 0 HB2 PRO A 56 7.130 3.925 -2.540 1.00 0.00 H new ATOM 0 HB3 PRO A 56 6.761 5.192 -1.388 1.00 0.00 H new ATOM 0 HG2 PRO A 56 4.872 3.518 -3.031 1.00 0.00 H new ATOM 0 HG3 PRO A 56 4.748 3.983 -1.346 1.00 0.00 H new ATOM 0 HD2 PRO A 56 3.346 5.277 -3.289 1.00 0.00 H new ATOM 0 HD3 PRO A 56 3.907 6.113 -1.855 1.00 0.00 H new ATOM 779 N THR A 57 6.167 5.262 -5.799 1.00 0.00 N ATOM 780 CA THR A 57 6.482 4.682 -7.099 1.00 0.00 C ATOM 781 C THR A 57 6.258 5.690 -8.219 1.00 0.00 C ATOM 782 O THR A 57 7.194 6.066 -8.925 1.00 0.00 O ATOM 783 CB THR A 57 5.629 3.428 -7.374 1.00 0.00 C ATOM 784 OG1 THR A 57 5.844 2.454 -6.346 1.00 0.00 O ATOM 785 CG2 THR A 57 5.973 2.827 -8.728 1.00 0.00 C ATOM 0 H THR A 57 5.269 5.745 -5.759 1.00 0.00 H new ATOM 0 HA THR A 57 7.534 4.400 -7.074 1.00 0.00 H new ATOM 0 HB THR A 57 4.580 3.723 -7.381 1.00 0.00 H new ATOM 0 HG1 THR A 57 4.980 2.131 -6.015 1.00 0.00 H new ATOM 0 HG21 THR A 57 5.359 1.943 -8.900 1.00 0.00 H new ATOM 0 HG22 THR A 57 5.781 3.561 -9.511 1.00 0.00 H new ATOM 0 HG23 THR A 57 7.026 2.546 -8.744 1.00 0.00 H new ATOM 793 N CYS A 58 5.012 6.125 -8.379 1.00 0.00 N ATOM 794 CA CYS A 58 4.665 7.091 -9.414 1.00 0.00 C ATOM 795 C CYS A 58 4.782 8.518 -8.888 1.00 0.00 C ATOM 796 O CYS A 58 4.541 8.778 -7.709 1.00 0.00 O ATOM 797 CB CYS A 58 3.244 6.837 -9.922 1.00 0.00 C ATOM 798 SG CYS A 58 1.942 7.231 -8.711 1.00 0.00 S ATOM 0 H CYS A 58 4.225 5.823 -7.804 1.00 0.00 H new ATOM 0 HA CYS A 58 5.366 6.969 -10.240 1.00 0.00 H new ATOM 0 HB2 CYS A 58 3.080 7.429 -10.822 1.00 0.00 H new ATOM 0 HB3 CYS A 58 3.154 5.789 -10.209 1.00 0.00 H new ATOM 803 N HIS A 59 5.154 9.440 -9.771 1.00 0.00 N ATOM 804 CA HIS A 59 5.301 10.842 -9.396 1.00 0.00 C ATOM 805 C HIS A 59 3.939 11.514 -9.257 1.00 0.00 C ATOM 806 O HIS A 59 3.467 12.175 -10.181 1.00 0.00 O ATOM 807 CB HIS A 59 6.145 11.582 -10.433 1.00 0.00 C ATOM 808 CG HIS A 59 7.549 11.069 -10.541 1.00 0.00 C ATOM 809 ND1 HIS A 59 8.122 10.689 -11.736 1.00 0.00 N ATOM 810 CD2 HIS A 59 8.496 10.877 -9.593 1.00 0.00 C ATOM 811 CE1 HIS A 59 9.360 10.283 -11.518 1.00 0.00 C ATOM 812 NE2 HIS A 59 9.612 10.387 -10.226 1.00 0.00 N ATOM 0 H HIS A 59 5.359 9.241 -10.750 1.00 0.00 H new ATOM 0 HA HIS A 59 5.806 10.883 -8.431 1.00 0.00 H new ATOM 0 HB2 HIS A 59 5.662 11.501 -11.407 1.00 0.00 H new ATOM 0 HB3 HIS A 59 6.173 12.641 -10.178 1.00 0.00 H new ATOM 0 HD2 HIS A 59 8.393 11.073 -8.536 1.00 0.00 H new ATOM 0 HE1 HIS A 59 10.049 9.926 -12.269 1.00 0.00 H new ATOM 0 HE2 HIS A 59 10.492 10.143 -9.772 1.00 0.00 H new ATOM 820 N GLN A 60 3.314 11.339 -8.098 1.00 0.00 N ATOM 821 CA GLN A 60 2.005 11.929 -7.840 1.00 0.00 C ATOM 822 C GLN A 60 2.116 13.098 -6.868 1.00 0.00 C ATOM 823 O GLN A 60 3.187 13.367 -6.327 1.00 0.00 O ATOM 824 CB GLN A 60 1.050 10.874 -7.279 1.00 0.00 C ATOM 825 CG GLN A 60 -0.407 11.119 -7.640 1.00 0.00 C ATOM 826 CD GLN A 60 -0.585 11.564 -9.079 1.00 0.00 C ATOM 827 OE1 GLN A 60 0.132 11.113 -9.973 1.00 0.00 O ATOM 828 NE2 GLN A 60 -1.544 12.452 -9.309 1.00 0.00 N ATOM 0 H GLN A 60 3.692 10.794 -7.323 1.00 0.00 H new ATOM 0 HA GLN A 60 1.610 12.303 -8.785 1.00 0.00 H new ATOM 0 HB2 GLN A 60 1.347 9.893 -7.649 1.00 0.00 H new ATOM 0 HB3 GLN A 60 1.147 10.848 -6.194 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -0.977 10.205 -7.473 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -0.819 11.878 -6.975 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -2.114 12.798 -8.537 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -1.711 12.788 -10.257 1.00 0.00 H new ATOM 837 N ASN A 61 1.002 13.791 -6.653 1.00 0.00 N ATOM 838 CA ASN A 61 0.976 14.934 -5.747 1.00 0.00 C ATOM 839 C ASN A 61 -0.372 15.033 -5.037 1.00 0.00 C ATOM 840 O ASN A 61 -1.375 15.412 -5.639 1.00 0.00 O ATOM 841 CB ASN A 61 1.256 16.227 -6.515 1.00 0.00 C ATOM 842 CG ASN A 61 2.224 16.018 -7.665 1.00 0.00 C ATOM 843 OD1 ASN A 61 3.417 16.299 -7.547 1.00 0.00 O ATOM 844 ND2 ASN A 61 1.712 15.522 -8.785 1.00 0.00 N ATOM 0 H ASN A 61 0.106 13.581 -7.093 1.00 0.00 H new ATOM 0 HA ASN A 61 1.754 14.790 -4.997 1.00 0.00 H new ATOM 0 HB2 ASN A 61 0.319 16.628 -6.901 1.00 0.00 H new ATOM 0 HB3 ASN A 61 1.663 16.972 -5.831 1.00 0.00 H new ATOM 0 HD21 ASN A 61 2.314 15.359 -9.592 1.00 0.00 H new ATOM 0 HD22 ASN A 61 0.717 15.304 -8.838 1.00 0.00 H new ATOM 851 N ASP A 62 -0.384 14.691 -3.754 1.00 0.00 N ATOM 852 CA ASP A 62 -1.606 14.744 -2.961 1.00 0.00 C ATOM 853 C ASP A 62 -2.559 13.620 -3.356 1.00 0.00 C ATOM 854 O ASP A 62 -3.739 13.857 -3.618 1.00 0.00 O ATOM 855 CB ASP A 62 -2.294 16.099 -3.133 1.00 0.00 C ATOM 856 CG ASP A 62 -3.342 16.355 -2.069 1.00 0.00 C ATOM 857 OD1 ASP A 62 -3.018 16.218 -0.871 1.00 0.00 O ATOM 858 OD2 ASP A 62 -4.487 16.694 -2.434 1.00 0.00 O ATOM 0 H ASP A 62 0.439 14.374 -3.241 1.00 0.00 H new ATOM 0 HA ASP A 62 -1.336 14.615 -1.913 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -1.545 16.890 -3.099 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -2.761 16.144 -4.117 1.00 0.00 H new ATOM 863 N VAL A 63 -2.040 12.398 -3.401 1.00 0.00 N ATOM 864 CA VAL A 63 -2.844 11.238 -3.765 1.00 0.00 C ATOM 865 C VAL A 63 -4.107 11.155 -2.914 1.00 0.00 C ATOM 866 O VAL A 63 -4.124 11.600 -1.766 1.00 0.00 O ATOM 867 CB VAL A 63 -2.047 9.930 -3.611 1.00 0.00 C ATOM 868 CG1 VAL A 63 -2.921 8.729 -3.938 1.00 0.00 C ATOM 869 CG2 VAL A 63 -0.808 9.955 -4.493 1.00 0.00 C ATOM 0 H VAL A 63 -1.065 12.185 -3.190 1.00 0.00 H new ATOM 0 HA VAL A 63 -3.122 11.363 -4.812 1.00 0.00 H new ATOM 0 HB VAL A 63 -1.725 9.841 -2.573 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -2.340 7.814 -3.823 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -3.774 8.704 -3.260 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -3.276 8.807 -4.965 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -0.256 9.023 -4.372 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -1.106 10.068 -5.535 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -0.173 10.793 -4.205 1.00 0.00 H new ATOM 879 N SER A 64 -5.161 10.581 -3.483 1.00 0.00 N ATOM 880 CA SER A 64 -6.430 10.442 -2.777 1.00 0.00 C ATOM 881 C SER A 64 -6.519 9.086 -2.082 1.00 0.00 C ATOM 882 O SER A 64 -6.692 8.046 -2.715 1.00 0.00 O ATOM 883 CB SER A 64 -7.600 10.607 -3.750 1.00 0.00 C ATOM 884 OG SER A 64 -7.505 11.831 -4.457 1.00 0.00 O ATOM 0 H SER A 64 -5.162 10.204 -4.431 1.00 0.00 H new ATOM 0 HA SER A 64 -6.484 11.224 -2.019 1.00 0.00 H new ATOM 0 HB2 SER A 64 -7.611 9.776 -4.455 1.00 0.00 H new ATOM 0 HB3 SER A 64 -8.541 10.572 -3.201 1.00 0.00 H new ATOM 0 HG SER A 64 -8.263 11.912 -5.073 1.00 0.00 H new ATOM 890 N PRO A 65 -6.397 9.099 -0.746 1.00 0.00 N ATOM 891 CA PRO A 65 -6.461 7.880 0.066 1.00 0.00 C ATOM 892 C PRO A 65 -7.863 7.279 0.100 1.00 0.00 C ATOM 893 O PRO A 65 -8.024 6.060 0.165 1.00 0.00 O ATOM 894 CB PRO A 65 -6.050 8.360 1.460 1.00 0.00 C ATOM 895 CG PRO A 65 -6.399 9.809 1.479 1.00 0.00 C ATOM 896 CD PRO A 65 -6.189 10.304 0.074 1.00 0.00 C ATOM 0 HA PRO A 65 -5.824 7.091 -0.332 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -6.582 7.814 2.240 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -4.985 8.207 1.634 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -7.432 9.958 1.795 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -5.769 10.353 2.183 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -6.896 11.093 -0.184 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -5.189 10.715 -0.062 1.00 0.00 H new ATOM 904 N ASP A 66 -8.872 8.141 0.057 1.00 0.00 N ATOM 905 CA ASP A 66 -10.260 7.696 0.081 1.00 0.00 C ATOM 906 C ASP A 66 -10.532 6.700 -1.042 1.00 0.00 C ATOM 907 O ASP A 66 -11.129 5.647 -0.821 1.00 0.00 O ATOM 908 CB ASP A 66 -11.205 8.892 -0.042 1.00 0.00 C ATOM 909 CG ASP A 66 -12.521 8.667 0.675 1.00 0.00 C ATOM 910 OD1 ASP A 66 -12.555 8.814 1.914 1.00 0.00 O ATOM 911 OD2 ASP A 66 -13.518 8.344 -0.004 1.00 0.00 O ATOM 0 H ASP A 66 -8.755 9.153 0.005 1.00 0.00 H new ATOM 0 HA ASP A 66 -10.438 7.199 1.034 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -10.719 9.778 0.366 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -11.398 9.091 -1.096 1.00 0.00 H new ATOM 916 N ALA A 67 -10.089 7.041 -2.248 1.00 0.00 N ATOM 917 CA ALA A 67 -10.282 6.177 -3.405 1.00 0.00 C ATOM 918 C ALA A 67 -9.839 4.749 -3.105 1.00 0.00 C ATOM 919 O ALA A 67 -10.533 3.789 -3.442 1.00 0.00 O ATOM 920 CB ALA A 67 -9.525 6.725 -4.606 1.00 0.00 C ATOM 0 H ALA A 67 -9.594 7.910 -2.448 1.00 0.00 H new ATOM 0 HA ALA A 67 -11.347 6.158 -3.638 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -9.678 6.069 -5.463 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -9.892 7.724 -4.843 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -8.461 6.775 -4.374 1.00 0.00 H new ATOM 926 N LEU A 68 -8.680 4.616 -2.471 1.00 0.00 N ATOM 927 CA LEU A 68 -8.143 3.304 -2.125 1.00 0.00 C ATOM 928 C LEU A 68 -9.264 2.331 -1.776 1.00 0.00 C ATOM 929 O LEU A 68 -10.324 2.737 -1.298 1.00 0.00 O ATOM 930 CB LEU A 68 -7.170 3.423 -0.951 1.00 0.00 C ATOM 931 CG LEU A 68 -6.029 4.426 -1.122 1.00 0.00 C ATOM 932 CD1 LEU A 68 -5.226 4.545 0.163 1.00 0.00 C ATOM 933 CD2 LEU A 68 -5.130 4.019 -2.280 1.00 0.00 C ATOM 0 H LEU A 68 -8.093 5.400 -2.186 1.00 0.00 H new ATOM 0 HA LEU A 68 -7.609 2.917 -2.993 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -7.737 3.697 -0.062 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -6.738 2.440 -0.763 1.00 0.00 H new ATOM 0 HG LEU A 68 -6.459 5.402 -1.348 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.418 5.263 0.022 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -5.877 4.884 0.969 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.806 3.573 0.421 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -4.323 4.744 -2.387 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.708 3.033 -2.084 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -5.714 3.987 -3.200 1.00 0.00 H new ATOM 945 N SER A 69 -9.023 1.046 -2.015 1.00 0.00 N ATOM 946 CA SER A 69 -10.014 0.016 -1.726 1.00 0.00 C ATOM 947 C SER A 69 -10.011 -0.340 -0.243 1.00 0.00 C ATOM 948 O SER A 69 -10.069 -1.513 0.126 1.00 0.00 O ATOM 949 CB SER A 69 -9.737 -1.235 -2.563 1.00 0.00 C ATOM 950 OG SER A 69 -10.054 -1.016 -3.927 1.00 0.00 O ATOM 0 H SER A 69 -8.150 0.693 -2.408 1.00 0.00 H new ATOM 0 HA SER A 69 -10.997 0.409 -1.985 1.00 0.00 H new ATOM 0 HB2 SER A 69 -8.687 -1.513 -2.470 1.00 0.00 H new ATOM 0 HB3 SER A 69 -10.323 -2.070 -2.180 1.00 0.00 H new ATOM 0 HG SER A 69 -9.867 -1.829 -4.441 1.00 0.00 H new ATOM 956 N GLY A 70 -9.943 0.682 0.604 1.00 0.00 N ATOM 957 CA GLY A 70 -9.933 0.457 2.039 1.00 0.00 C ATOM 958 C GLY A 70 -9.668 1.728 2.822 1.00 0.00 C ATOM 959 O GLY A 70 -8.529 2.052 3.152 1.00 0.00 O ATOM 0 H GLY A 70 -9.895 1.661 0.323 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -10.892 0.038 2.345 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -9.170 -0.282 2.283 1.00 0.00 H new ATOM 963 N PRO A 71 -10.742 2.471 3.131 1.00 0.00 N ATOM 964 CA PRO A 71 -10.645 3.725 3.884 1.00 0.00 C ATOM 965 C PRO A 71 -10.260 3.498 5.342 1.00 0.00 C ATOM 966 O PRO A 71 -10.197 2.360 5.807 1.00 0.00 O ATOM 967 CB PRO A 71 -12.059 4.305 3.788 1.00 0.00 C ATOM 968 CG PRO A 71 -12.940 3.124 3.575 1.00 0.00 C ATOM 969 CD PRO A 71 -12.132 2.144 2.770 1.00 0.00 C ATOM 0 HA PRO A 71 -9.871 4.381 3.485 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -12.329 4.841 4.698 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -12.141 5.014 2.964 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -13.246 2.689 4.526 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -13.850 3.407 3.046 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -12.381 1.114 3.023 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -12.308 2.261 1.701 1.00 0.00 H new ATOM 977 N SER A 72 -10.006 4.588 6.059 1.00 0.00 N ATOM 978 CA SER A 72 -9.624 4.507 7.463 1.00 0.00 C ATOM 979 C SER A 72 -10.812 4.088 8.326 1.00 0.00 C ATOM 980 O SER A 72 -11.936 4.543 8.117 1.00 0.00 O ATOM 981 CB SER A 72 -9.081 5.854 7.944 1.00 0.00 C ATOM 982 OG SER A 72 -8.175 5.683 9.022 1.00 0.00 O ATOM 0 H SER A 72 -10.058 5.538 5.690 1.00 0.00 H new ATOM 0 HA SER A 72 -8.843 3.753 7.559 1.00 0.00 H new ATOM 0 HB2 SER A 72 -8.580 6.363 7.121 1.00 0.00 H new ATOM 0 HB3 SER A 72 -9.907 6.492 8.257 1.00 0.00 H new ATOM 0 HG SER A 72 -7.841 6.558 9.310 1.00 0.00 H new ATOM 988 N SER A 73 -10.551 3.217 9.296 1.00 0.00 N ATOM 989 CA SER A 73 -11.597 2.733 10.189 1.00 0.00 C ATOM 990 C SER A 73 -12.452 3.888 10.701 1.00 0.00 C ATOM 991 O SER A 73 -11.935 4.866 11.240 1.00 0.00 O ATOM 992 CB SER A 73 -10.982 1.976 11.367 1.00 0.00 C ATOM 993 OG SER A 73 -11.985 1.371 12.165 1.00 0.00 O ATOM 0 H SER A 73 -9.625 2.833 9.483 1.00 0.00 H new ATOM 0 HA SER A 73 -12.236 2.054 9.625 1.00 0.00 H new ATOM 0 HB2 SER A 73 -10.299 1.212 10.995 1.00 0.00 H new ATOM 0 HB3 SER A 73 -10.393 2.662 11.976 1.00 0.00 H new ATOM 0 HG SER A 73 -11.566 0.892 12.910 1.00 0.00 H new ATOM 999 N GLY A 74 -13.765 3.766 10.530 1.00 0.00 N ATOM 1000 CA GLY A 74 -14.672 4.806 10.980 1.00 0.00 C ATOM 1001 C GLY A 74 -16.118 4.500 10.643 1.00 0.00 C ATOM 1002 O GLY A 74 -16.446 3.337 10.413 1.00 0.00 O ATOM 0 H GLY A 74 -14.217 2.965 10.088 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -14.572 4.930 12.058 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -14.388 5.754 10.523 1.00 0.00 H new TER 1006 GLY A 74 HETATM 1007 ZN ZN A 201 3.892 -3.972 3.008 1.00 0.00 ZN HETATM 1008 ZN ZN A 401 0.929 5.570 -7.602 1.00 0.00 ZN