USER MOD reduce.3.24.130724 H: found=0, std=0, add=461, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 459 hydrogens (18 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 23 HIS HE2 : A 23 HIS NE2 : A 101 ZNZN :(H bumps) USER MOD NoAdj-H: A 44 HIS HE2 : A 44 HIS NE2 : A 102 ZNZN :(H bumps) USER MOD Single : A 1 ILE N :NH3+ -117:sc= 0.0454 (180deg=-0.158) USER MOD Single : A 2 GLN : amide:sc= 0.989 K(o=0.99,f=0) USER MOD Single : A 3 LYS NZ :NH3+ -167:sc= 0.85 (180deg=0.739) USER MOD Single : A 5 ASN : amide:sc= -0.0491 X(o=-0.049,f=-0.049) USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 9 GLN : amide:sc= 1.11 K(o=1.1,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -160:sc= 0.628 USER MOD Single : A 14 LYS NZ :NH3+ -159:sc= 1.28 (180deg=0.956) USER MOD Single : A 17 ASN : amide:sc= 0.323 K(o=0.32,f=-2.6!) USER MOD Single : A 20 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0218) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 174:sc= 1.04 (180deg=1.02) USER MOD Single : A 41 LYS NZ :NH3+ 156:sc= 1.18 (180deg=0.8) USER MOD Single : A 45 GLN : amide:sc= 0.0147 K(o=0.015,f=-1.7) USER MOD Single : A 46 MET CE :methyl -172:sc= 0 (180deg=-0.0821) USER MOD Single : A 47 LYS NZ :NH3+ -160:sc= 0.281 (180deg=0.144) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0.239 USER MOD Single : A 53 GLN : amide:sc= 1.37 K(o=1.4,f=-0.064) USER MOD Single : A 55 ASN : amide:sc= 0.147 X(o=0.15,f=-0.00067) USER MOD Single : A 103 1HF O4 : rot 180:sc= 0 USER MOD Single : A 104 1HF O4 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 -7.951 -15.615 23.460 1.00 0.00 N ATOM 2 CA ILE A 1 -7.929 -15.004 24.822 1.00 0.00 C ATOM 3 C ILE A 1 -7.021 -13.765 24.863 1.00 0.00 C ATOM 4 O ILE A 1 -6.137 -13.639 24.015 1.00 0.00 O ATOM 5 CB ILE A 1 -7.558 -16.012 25.942 1.00 0.00 C ATOM 6 CG1 ILE A 1 -6.141 -16.610 25.792 1.00 0.00 C ATOM 7 CG2 ILE A 1 -8.634 -17.111 26.043 1.00 0.00 C ATOM 8 CD1 ILE A 1 -5.664 -17.480 26.967 1.00 0.00 C ATOM 0 H1 ILE A 1 -8.915 -15.566 23.073 1.00 0.00 H new ATOM 0 H2 ILE A 1 -7.301 -15.096 22.836 1.00 0.00 H new ATOM 0 H3 ILE A 1 -7.652 -16.609 23.521 1.00 0.00 H new ATOM 0 HA ILE A 1 -8.952 -14.687 25.028 1.00 0.00 H new ATOM 0 HB ILE A 1 -7.533 -15.453 26.877 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -6.113 -17.210 24.883 1.00 0.00 H new ATOM 0 HG13 ILE A 1 -5.433 -15.793 25.656 1.00 0.00 H new ATOM 0 HG21 ILE A 1 -8.364 -17.813 26.832 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -9.597 -16.657 26.275 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -8.703 -17.641 25.093 1.00 0.00 H new ATOM 0 HD11 ILE A 1 -4.659 -17.850 26.762 1.00 0.00 H new ATOM 0 HD12 ILE A 1 -5.652 -16.884 27.880 1.00 0.00 H new ATOM 0 HD13 ILE A 1 -6.342 -18.324 27.094 1.00 0.00 H new ATOM 22 N GLN A 2 -7.238 -12.872 25.842 1.00 0.00 N ATOM 23 CA GLN A 2 -6.488 -11.627 26.111 1.00 0.00 C ATOM 24 C GLN A 2 -6.900 -10.488 25.149 1.00 0.00 C ATOM 25 O GLN A 2 -7.457 -10.724 24.075 1.00 0.00 O ATOM 26 CB GLN A 2 -4.959 -11.886 26.127 1.00 0.00 C ATOM 27 CG GLN A 2 -4.148 -10.808 26.868 1.00 0.00 C ATOM 28 CD GLN A 2 -2.672 -11.181 27.024 1.00 0.00 C ATOM 29 OE1 GLN A 2 -2.181 -11.436 28.116 1.00 0.00 O ATOM 30 NE2 GLN A 2 -1.905 -11.196 25.955 1.00 0.00 N ATOM 0 H GLN A 2 -7.993 -13.007 26.514 1.00 0.00 H new ATOM 0 HA GLN A 2 -6.755 -11.283 27.110 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -4.770 -12.853 26.593 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -4.602 -11.952 25.099 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -4.225 -9.865 26.326 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -4.583 -10.645 27.854 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -2.302 -10.985 25.039 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -0.913 -11.418 26.042 1.00 0.00 H new ATOM 39 N LYS A 3 -6.613 -9.232 25.519 1.00 0.00 N ATOM 40 CA LYS A 3 -6.856 -8.032 24.695 1.00 0.00 C ATOM 41 C LYS A 3 -6.130 -8.064 23.327 1.00 0.00 C ATOM 42 O LYS A 3 -6.599 -7.458 22.359 1.00 0.00 O ATOM 43 CB LYS A 3 -6.439 -6.815 25.552 1.00 0.00 C ATOM 44 CG LYS A 3 -6.608 -5.429 24.907 1.00 0.00 C ATOM 45 CD LYS A 3 -8.062 -5.074 24.560 1.00 0.00 C ATOM 46 CE LYS A 3 -8.114 -3.647 23.997 1.00 0.00 C ATOM 47 NZ LYS A 3 -9.484 -3.264 23.566 1.00 0.00 N ATOM 0 H LYS A 3 -6.194 -9.013 26.423 1.00 0.00 H new ATOM 0 HA LYS A 3 -7.911 -7.978 24.427 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -7.018 -6.834 26.475 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -5.392 -6.936 25.830 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -6.212 -4.673 25.586 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -6.008 -5.387 23.998 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -8.457 -5.780 23.830 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -8.689 -5.150 25.448 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -7.764 -2.946 24.755 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -7.433 -3.567 23.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -9.439 -2.394 22.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -9.895 -4.030 22.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -10.078 -3.100 24.404 1.00 0.00 H new ATOM 61 N GLY A 4 -5.004 -8.783 23.240 1.00 0.00 N ATOM 62 CA GLY A 4 -4.222 -9.027 22.019 1.00 0.00 C ATOM 63 C GLY A 4 -3.101 -10.045 22.229 1.00 0.00 C ATOM 64 O GLY A 4 -2.880 -10.512 23.347 1.00 0.00 O ATOM 0 H GLY A 4 -4.593 -9.233 24.058 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -4.887 -9.382 21.232 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -3.793 -8.086 21.673 1.00 0.00 H new ATOM 68 N ASN A 5 -2.370 -10.367 21.159 1.00 0.00 N ATOM 69 CA ASN A 5 -1.266 -11.346 21.162 1.00 0.00 C ATOM 70 C ASN A 5 0.030 -10.840 21.851 1.00 0.00 C ATOM 71 O ASN A 5 0.977 -11.602 22.053 1.00 0.00 O ATOM 72 CB ASN A 5 -1.012 -11.755 19.699 1.00 0.00 C ATOM 73 CG ASN A 5 -0.063 -12.946 19.565 1.00 0.00 C ATOM 74 OD1 ASN A 5 -0.309 -14.024 20.096 1.00 0.00 O ATOM 75 ND2 ASN A 5 1.040 -12.794 18.852 1.00 0.00 N ATOM 0 H ASN A 5 -2.528 -9.948 20.243 1.00 0.00 H new ATOM 0 HA ASN A 5 -1.564 -12.204 21.764 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -1.963 -12.001 19.227 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -0.597 -10.905 19.157 1.00 0.00 H new ATOM 0 HD21 ASN A 5 1.688 -13.574 18.743 1.00 0.00 H new ATOM 0 HD22 ASN A 5 1.243 -11.897 18.411 1.00 0.00 H new ATOM 82 N PHE A 6 0.076 -9.549 22.203 1.00 0.00 N ATOM 83 CA PHE A 6 1.199 -8.860 22.849 1.00 0.00 C ATOM 84 C PHE A 6 1.451 -9.332 24.297 1.00 0.00 C ATOM 85 O PHE A 6 0.662 -10.085 24.870 1.00 0.00 O ATOM 86 CB PHE A 6 0.909 -7.347 22.814 1.00 0.00 C ATOM 87 CG PHE A 6 0.659 -6.780 21.428 1.00 0.00 C ATOM 88 CD1 PHE A 6 1.741 -6.349 20.637 1.00 0.00 C ATOM 89 CD2 PHE A 6 -0.654 -6.676 20.927 1.00 0.00 C ATOM 90 CE1 PHE A 6 1.512 -5.812 19.358 1.00 0.00 C ATOM 91 CE2 PHE A 6 -0.883 -6.143 19.647 1.00 0.00 C ATOM 92 CZ PHE A 6 0.199 -5.709 18.862 1.00 0.00 C ATOM 0 H PHE A 6 -0.712 -8.924 22.035 1.00 0.00 H new ATOM 0 HA PHE A 6 2.111 -9.098 22.301 1.00 0.00 H new ATOM 0 HB2 PHE A 6 0.038 -7.143 23.437 1.00 0.00 H new ATOM 0 HB3 PHE A 6 1.751 -6.819 23.261 1.00 0.00 H new ATOM 0 HD1 PHE A 6 2.750 -6.431 21.014 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -1.487 -7.007 21.529 1.00 0.00 H new ATOM 0 HE1 PHE A 6 2.344 -5.478 18.756 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -1.891 -6.067 19.266 1.00 0.00 H new ATOM 0 HZ PHE A 6 0.023 -5.297 17.879 1.00 0.00 H new ATOM 102 N ARG A 7 2.525 -8.819 24.916 1.00 0.00 N ATOM 103 CA ARG A 7 2.838 -8.999 26.345 1.00 0.00 C ATOM 104 C ARG A 7 1.655 -8.633 27.254 1.00 0.00 C ATOM 105 O ARG A 7 1.249 -9.455 28.075 1.00 0.00 O ATOM 106 CB ARG A 7 4.078 -8.163 26.706 1.00 0.00 C ATOM 107 CG ARG A 7 5.384 -8.898 26.368 1.00 0.00 C ATOM 108 CD ARG A 7 6.595 -8.078 26.821 1.00 0.00 C ATOM 109 NE ARG A 7 7.857 -8.809 26.627 1.00 0.00 N ATOM 110 CZ ARG A 7 9.060 -8.391 27.005 1.00 0.00 C ATOM 111 NH1 ARG A 7 9.242 -7.229 27.596 1.00 0.00 N ATOM 112 NH2 ARG A 7 10.112 -9.149 26.787 1.00 0.00 N ATOM 0 H ARG A 7 3.218 -8.253 24.426 1.00 0.00 H new ATOM 0 HA ARG A 7 3.044 -10.056 26.512 1.00 0.00 H new ATOM 0 HB2 ARG A 7 4.046 -7.215 26.169 1.00 0.00 H new ATOM 0 HB3 ARG A 7 4.059 -7.927 27.770 1.00 0.00 H new ATOM 0 HG2 ARG A 7 5.395 -9.873 26.855 1.00 0.00 H new ATOM 0 HG3 ARG A 7 5.440 -9.077 25.294 1.00 0.00 H new ATOM 0 HD2 ARG A 7 6.628 -7.142 26.264 1.00 0.00 H new ATOM 0 HD3 ARG A 7 6.484 -7.818 27.874 1.00 0.00 H new ATOM 0 HE ARG A 7 7.804 -9.715 26.162 1.00 0.00 H new ATOM 0 HH11 ARG A 7 8.445 -6.618 27.777 1.00 0.00 H new ATOM 0 HH12 ARG A 7 10.180 -6.939 27.873 1.00 0.00 H new ATOM 0 HH21 ARG A 7 10.003 -10.054 26.329 1.00 0.00 H new ATOM 0 HH22 ARG A 7 11.038 -8.832 27.076 1.00 0.00 H new ATOM 126 N ASN A 8 1.107 -7.420 27.100 1.00 0.00 N ATOM 127 CA ASN A 8 -0.148 -6.889 27.680 1.00 0.00 C ATOM 128 C ASN A 8 -0.172 -6.710 29.219 1.00 0.00 C ATOM 129 O ASN A 8 -0.704 -5.718 29.717 1.00 0.00 O ATOM 130 CB ASN A 8 -1.331 -7.747 27.194 1.00 0.00 C ATOM 131 CG ASN A 8 -2.677 -7.093 27.489 1.00 0.00 C ATOM 132 OD1 ASN A 8 -3.009 -6.052 26.939 1.00 0.00 O ATOM 133 ND2 ASN A 8 -3.483 -7.678 28.357 1.00 0.00 N ATOM 0 H ASN A 8 1.565 -6.720 26.517 1.00 0.00 H new ATOM 0 HA ASN A 8 -0.230 -5.865 27.314 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -1.238 -7.916 26.121 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -1.291 -8.724 27.675 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -4.389 -7.262 28.572 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -3.199 -8.546 28.812 1.00 0.00 H new ATOM 140 N GLN A 9 0.386 -7.666 29.963 1.00 0.00 N ATOM 141 CA GLN A 9 0.552 -7.686 31.420 1.00 0.00 C ATOM 142 C GLN A 9 1.934 -8.253 31.802 1.00 0.00 C ATOM 143 O GLN A 9 2.581 -7.732 32.711 1.00 0.00 O ATOM 144 CB GLN A 9 -0.534 -8.586 32.047 1.00 0.00 C ATOM 145 CG GLN A 9 -1.967 -8.051 31.893 1.00 0.00 C ATOM 146 CD GLN A 9 -3.002 -9.027 32.461 1.00 0.00 C ATOM 147 OE1 GLN A 9 -3.227 -10.111 31.936 1.00 0.00 O ATOM 148 NE2 GLN A 9 -3.669 -8.698 33.547 1.00 0.00 N ATOM 0 H GLN A 9 0.762 -8.510 29.532 1.00 0.00 H new ATOM 0 HA GLN A 9 0.465 -6.664 31.790 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -0.477 -9.575 31.592 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -0.318 -8.711 33.108 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -2.054 -7.092 32.403 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -2.177 -7.872 30.839 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -3.496 -7.800 33.999 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -4.358 -9.341 33.936 1.00 0.00 H new ATOM 157 N ARG A 10 2.392 -9.317 31.119 1.00 0.00 N ATOM 158 CA ARG A 10 3.630 -10.040 31.440 1.00 0.00 C ATOM 159 C ARG A 10 4.858 -9.256 30.963 1.00 0.00 C ATOM 160 O ARG A 10 5.036 -9.060 29.763 1.00 0.00 O ATOM 161 CB ARG A 10 3.558 -11.445 30.814 1.00 0.00 C ATOM 162 CG ARG A 10 4.722 -12.348 31.248 1.00 0.00 C ATOM 163 CD ARG A 10 4.569 -13.754 30.651 1.00 0.00 C ATOM 164 NE ARG A 10 5.641 -14.651 31.116 1.00 0.00 N ATOM 165 CZ ARG A 10 5.865 -15.892 30.697 1.00 0.00 C ATOM 166 NH1 ARG A 10 5.120 -16.463 29.771 1.00 0.00 N ATOM 167 NH2 ARG A 10 6.854 -16.589 31.213 1.00 0.00 N ATOM 0 H ARG A 10 1.901 -9.704 30.313 1.00 0.00 H new ATOM 0 HA ARG A 10 3.732 -10.145 32.520 1.00 0.00 H new ATOM 0 HB2 ARG A 10 2.615 -11.915 31.094 1.00 0.00 H new ATOM 0 HB3 ARG A 10 3.559 -11.355 29.728 1.00 0.00 H new ATOM 0 HG2 ARG A 10 5.667 -11.911 30.926 1.00 0.00 H new ATOM 0 HG3 ARG A 10 4.754 -12.411 32.336 1.00 0.00 H new ATOM 0 HD2 ARG A 10 3.600 -14.167 30.930 1.00 0.00 H new ATOM 0 HD3 ARG A 10 4.588 -13.694 29.563 1.00 0.00 H new ATOM 0 HE ARG A 10 6.272 -14.284 31.828 1.00 0.00 H new ATOM 0 HH11 ARG A 10 4.344 -15.950 29.353 1.00 0.00 H new ATOM 0 HH12 ARG A 10 5.320 -17.418 29.473 1.00 0.00 H new ATOM 0 HH21 ARG A 10 7.447 -16.177 31.933 1.00 0.00 H new ATOM 0 HH22 ARG A 10 7.028 -17.542 30.893 1.00 0.00 H new ATOM 181 N LYS A 11 5.688 -8.776 31.895 1.00 0.00 N ATOM 182 CA LYS A 11 6.921 -7.974 31.699 1.00 0.00 C ATOM 183 C LYS A 11 6.694 -6.540 31.159 1.00 0.00 C ATOM 184 O LYS A 11 7.440 -5.629 31.534 1.00 0.00 O ATOM 185 CB LYS A 11 7.956 -8.727 30.832 1.00 0.00 C ATOM 186 CG LYS A 11 8.440 -10.033 31.482 1.00 0.00 C ATOM 187 CD LYS A 11 9.505 -10.715 30.612 1.00 0.00 C ATOM 188 CE LYS A 11 9.996 -11.999 31.293 1.00 0.00 C ATOM 189 NZ LYS A 11 11.053 -12.678 30.498 1.00 0.00 N ATOM 0 H LYS A 11 5.510 -8.946 32.885 1.00 0.00 H new ATOM 0 HA LYS A 11 7.320 -7.842 32.705 1.00 0.00 H new ATOM 0 HB2 LYS A 11 7.515 -8.952 29.861 1.00 0.00 H new ATOM 0 HB3 LYS A 11 8.812 -8.078 30.651 1.00 0.00 H new ATOM 0 HG2 LYS A 11 8.851 -9.822 32.469 1.00 0.00 H new ATOM 0 HG3 LYS A 11 7.596 -10.707 31.626 1.00 0.00 H new ATOM 0 HD2 LYS A 11 9.090 -10.949 29.632 1.00 0.00 H new ATOM 0 HD3 LYS A 11 10.343 -10.037 30.450 1.00 0.00 H new ATOM 0 HE2 LYS A 11 10.384 -11.759 32.283 1.00 0.00 H new ATOM 0 HE3 LYS A 11 9.156 -12.679 31.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 11.358 -13.541 30.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 10.676 -12.930 29.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 11.866 -12.039 30.383 1.00 0.00 H new ATOM 203 N THR A 12 5.669 -6.324 30.320 1.00 0.00 N ATOM 204 CA THR A 12 5.290 -5.032 29.713 1.00 0.00 C ATOM 205 C THR A 12 3.769 -4.900 29.724 1.00 0.00 C ATOM 206 O THR A 12 3.066 -5.851 29.386 1.00 0.00 O ATOM 207 CB THR A 12 5.816 -4.937 28.273 1.00 0.00 C ATOM 208 OG1 THR A 12 7.199 -5.214 28.263 1.00 0.00 O ATOM 209 CG2 THR A 12 5.613 -3.559 27.644 1.00 0.00 C ATOM 0 H THR A 12 5.050 -7.081 30.030 1.00 0.00 H new ATOM 0 HA THR A 12 5.733 -4.222 30.292 1.00 0.00 H new ATOM 0 HB THR A 12 5.248 -5.661 27.689 1.00 0.00 H new ATOM 0 HG1 THR A 12 7.598 -4.856 27.443 1.00 0.00 H new ATOM 0 HG21 THR A 12 6.007 -3.561 26.628 1.00 0.00 H new ATOM 0 HG22 THR A 12 4.549 -3.323 27.620 1.00 0.00 H new ATOM 0 HG23 THR A 12 6.138 -2.808 28.235 1.00 0.00 H new ATOM 217 N VAL A 13 3.276 -3.717 30.091 1.00 0.00 N ATOM 218 CA VAL A 13 1.845 -3.364 30.128 1.00 0.00 C ATOM 219 C VAL A 13 1.438 -2.622 28.843 1.00 0.00 C ATOM 220 O VAL A 13 2.272 -1.943 28.245 1.00 0.00 O ATOM 221 CB VAL A 13 1.525 -2.561 31.413 1.00 0.00 C ATOM 222 CG1 VAL A 13 2.062 -1.120 31.395 1.00 0.00 C ATOM 223 CG2 VAL A 13 0.025 -2.560 31.719 1.00 0.00 C ATOM 0 H VAL A 13 3.878 -2.947 30.382 1.00 0.00 H new ATOM 0 HA VAL A 13 1.247 -4.275 30.165 1.00 0.00 H new ATOM 0 HB VAL A 13 2.053 -3.083 32.211 1.00 0.00 H new ATOM 0 HG11 VAL A 13 1.799 -0.622 32.328 1.00 0.00 H new ATOM 0 HG12 VAL A 13 3.146 -1.137 31.286 1.00 0.00 H new ATOM 0 HG13 VAL A 13 1.622 -0.578 30.558 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -0.161 -1.987 32.627 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -0.516 -2.108 30.888 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -0.318 -3.585 31.860 1.00 0.00 H new ATOM 233 N LYS A 14 0.179 -2.745 28.404 1.00 0.00 N ATOM 234 CA LYS A 14 -0.321 -2.147 27.153 1.00 0.00 C ATOM 235 C LYS A 14 -1.698 -1.475 27.312 1.00 0.00 C ATOM 236 O LYS A 14 -2.626 -2.075 27.852 1.00 0.00 O ATOM 237 CB LYS A 14 -0.348 -3.264 26.093 1.00 0.00 C ATOM 238 CG LYS A 14 -0.614 -2.791 24.656 1.00 0.00 C ATOM 239 CD LYS A 14 -0.693 -4.011 23.722 1.00 0.00 C ATOM 240 CE LYS A 14 -1.029 -3.622 22.275 1.00 0.00 C ATOM 241 NZ LYS A 14 0.170 -3.250 21.478 1.00 0.00 N ATOM 0 H LYS A 14 -0.533 -3.269 28.912 1.00 0.00 H new ATOM 0 HA LYS A 14 0.344 -1.340 26.847 1.00 0.00 H new ATOM 0 HB2 LYS A 14 0.607 -3.788 26.116 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -1.115 -3.987 26.369 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -1.545 -2.226 24.614 1.00 0.00 H new ATOM 0 HG3 LYS A 14 0.181 -2.120 24.329 1.00 0.00 H new ATOM 0 HD2 LYS A 14 0.259 -4.541 23.741 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -1.450 -4.701 24.094 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -1.536 -4.456 21.789 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -1.727 -2.785 22.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -0.120 -2.674 20.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 0.826 -2.704 22.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 0.644 -4.112 21.141 1.00 0.00 H new ATOM 255 N CYS A 15 -1.852 -0.243 26.817 1.00 0.00 N ATOM 256 CA CYS A 15 -3.090 0.549 26.892 1.00 0.00 C ATOM 257 C CYS A 15 -4.248 -0.064 26.097 1.00 0.00 C ATOM 258 O CYS A 15 -4.048 -0.592 25.000 1.00 0.00 O ATOM 259 CB CYS A 15 -2.786 1.956 26.386 1.00 0.00 C ATOM 260 SG CYS A 15 -4.175 3.123 26.343 1.00 0.00 S ATOM 0 H CYS A 15 -1.097 0.248 26.338 1.00 0.00 H new ATOM 0 HA CYS A 15 -3.418 0.568 27.931 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -2.003 2.382 27.013 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -2.378 1.875 25.378 1.00 0.00 H new ATOM 265 N PHE A 16 -5.468 0.021 26.636 1.00 0.00 N ATOM 266 CA PHE A 16 -6.691 -0.426 25.966 1.00 0.00 C ATOM 267 C PHE A 16 -7.321 0.672 25.081 1.00 0.00 C ATOM 268 O PHE A 16 -8.094 0.342 24.178 1.00 0.00 O ATOM 269 CB PHE A 16 -7.721 -0.892 27.010 1.00 0.00 C ATOM 270 CG PHE A 16 -7.356 -1.974 28.015 1.00 0.00 C ATOM 271 CD1 PHE A 16 -6.248 -2.833 27.855 1.00 0.00 C ATOM 272 CD2 PHE A 16 -8.197 -2.141 29.133 1.00 0.00 C ATOM 273 CE1 PHE A 16 -5.982 -3.826 28.817 1.00 0.00 C ATOM 274 CE2 PHE A 16 -7.938 -3.139 30.086 1.00 0.00 C ATOM 275 CZ PHE A 16 -6.828 -3.984 29.929 1.00 0.00 C ATOM 0 H PHE A 16 -5.635 0.408 27.565 1.00 0.00 H new ATOM 0 HA PHE A 16 -6.410 -1.253 25.313 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -8.026 -0.013 27.578 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -8.599 -1.240 26.465 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -5.604 -2.729 26.994 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -9.052 -1.493 29.259 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -5.123 -4.470 28.700 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -8.591 -3.256 30.938 1.00 0.00 H new ATOM 0 HZ PHE A 16 -6.625 -4.753 30.660 1.00 0.00 H new ATOM 285 N ASN A 17 -7.012 1.955 25.321 1.00 0.00 N ATOM 286 CA ASN A 17 -7.578 3.087 24.575 1.00 0.00 C ATOM 287 C ASN A 17 -6.815 3.346 23.264 1.00 0.00 C ATOM 288 O ASN A 17 -7.383 3.181 22.184 1.00 0.00 O ATOM 289 CB ASN A 17 -7.619 4.346 25.463 1.00 0.00 C ATOM 290 CG ASN A 17 -8.255 5.534 24.734 1.00 0.00 C ATOM 291 OD1 ASN A 17 -9.306 5.425 24.114 1.00 0.00 O ATOM 292 ND2 ASN A 17 -7.634 6.698 24.766 1.00 0.00 N ATOM 0 H ASN A 17 -6.354 2.238 26.047 1.00 0.00 H new ATOM 0 HA ASN A 17 -8.600 2.830 24.297 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -8.183 4.132 26.371 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -6.606 4.608 25.770 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -8.029 7.501 24.276 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -6.759 6.795 25.281 1.00 0.00 H new ATOM 299 N CYS A 18 -5.535 3.736 23.340 1.00 0.00 N ATOM 300 CA CYS A 18 -4.721 4.057 22.149 1.00 0.00 C ATOM 301 C CYS A 18 -3.946 2.854 21.588 1.00 0.00 C ATOM 302 O CYS A 18 -3.544 2.866 20.421 1.00 0.00 O ATOM 303 CB CYS A 18 -3.781 5.241 22.422 1.00 0.00 C ATOM 304 SG CYS A 18 -2.277 4.906 23.382 1.00 0.00 S ATOM 0 H CYS A 18 -5.033 3.839 24.222 1.00 0.00 H new ATOM 0 HA CYS A 18 -5.430 4.344 21.373 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -3.482 5.662 21.462 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -4.350 6.010 22.944 1.00 0.00 H new ATOM 309 N GLY A 19 -3.778 1.793 22.390 1.00 0.00 N ATOM 310 CA GLY A 19 -3.172 0.517 21.985 1.00 0.00 C ATOM 311 C GLY A 19 -1.663 0.418 22.210 1.00 0.00 C ATOM 312 O GLY A 19 -1.087 -0.618 21.891 1.00 0.00 O ATOM 0 H GLY A 19 -4.069 1.799 23.368 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -3.659 -0.290 22.533 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -3.378 0.354 20.927 1.00 0.00 H new ATOM 316 N LYS A 20 -0.994 1.456 22.721 1.00 0.00 N ATOM 317 CA LYS A 20 0.468 1.472 22.880 1.00 0.00 C ATOM 318 C LYS A 20 0.941 0.896 24.232 1.00 0.00 C ATOM 319 O LYS A 20 0.289 1.042 25.270 1.00 0.00 O ATOM 320 CB LYS A 20 0.988 2.911 22.684 1.00 0.00 C ATOM 321 CG LYS A 20 1.124 3.379 21.225 1.00 0.00 C ATOM 322 CD LYS A 20 -0.182 3.383 20.414 1.00 0.00 C ATOM 323 CE LYS A 20 -0.030 4.052 19.040 1.00 0.00 C ATOM 324 NZ LYS A 20 0.132 5.527 19.140 1.00 0.00 N ATOM 0 H LYS A 20 -1.450 2.312 23.037 1.00 0.00 H new ATOM 0 HA LYS A 20 0.886 0.817 22.116 1.00 0.00 H new ATOM 0 HB2 LYS A 20 0.317 3.594 23.204 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.963 2.994 23.165 1.00 0.00 H new ATOM 0 HG2 LYS A 20 1.538 4.387 21.221 1.00 0.00 H new ATOM 0 HG3 LYS A 20 1.845 2.736 20.720 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.522 2.356 20.277 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.955 3.902 20.982 1.00 0.00 H new ATOM 0 HE2 LYS A 20 0.834 3.629 18.527 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -0.905 3.826 18.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 0.129 5.942 18.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -0.653 5.926 19.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 1.034 5.746 19.610 1.00 0.00 H new ATOM 338 N GLU A 21 2.106 0.250 24.216 1.00 0.00 N ATOM 339 CA GLU A 21 2.858 -0.226 25.373 1.00 0.00 C ATOM 340 C GLU A 21 3.326 0.876 26.339 1.00 0.00 C ATOM 341 O GLU A 21 3.359 2.067 26.018 1.00 0.00 O ATOM 342 CB GLU A 21 4.042 -1.042 24.867 1.00 0.00 C ATOM 343 CG GLU A 21 3.501 -2.336 24.259 1.00 0.00 C ATOM 344 CD GLU A 21 3.370 -2.281 22.732 1.00 0.00 C ATOM 345 OE1 GLU A 21 2.359 -1.717 22.251 1.00 0.00 O ATOM 346 OE2 GLU A 21 4.258 -2.800 22.019 1.00 0.00 O ATOM 0 H GLU A 21 2.578 0.032 23.339 1.00 0.00 H new ATOM 0 HA GLU A 21 2.179 -0.835 25.969 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.603 -0.477 24.123 1.00 0.00 H new ATOM 0 HB3 GLU A 21 4.729 -1.263 25.684 1.00 0.00 H new ATOM 0 HG2 GLU A 21 4.161 -3.160 24.531 1.00 0.00 H new ATOM 0 HG3 GLU A 21 2.525 -2.553 24.693 1.00 0.00 H new ATOM 353 N GLY A 22 3.726 0.437 27.536 1.00 0.00 N ATOM 354 CA GLY A 22 4.411 1.243 28.557 1.00 0.00 C ATOM 355 C GLY A 22 3.489 1.999 29.516 1.00 0.00 C ATOM 356 O GLY A 22 3.990 2.691 30.402 1.00 0.00 O ATOM 0 H GLY A 22 3.577 -0.527 27.834 1.00 0.00 H new ATOM 0 HA2 GLY A 22 5.058 0.588 29.141 1.00 0.00 H new ATOM 0 HA3 GLY A 22 5.057 1.964 28.055 1.00 0.00 H new ATOM 360 N HIS A 23 2.168 1.877 29.370 1.00 0.00 N ATOM 361 CA HIS A 23 1.172 2.575 30.182 1.00 0.00 C ATOM 362 C HIS A 23 -0.224 1.900 30.145 1.00 0.00 C ATOM 363 O HIS A 23 -0.458 0.932 29.416 1.00 0.00 O ATOM 364 CB HIS A 23 1.130 4.057 29.744 1.00 0.00 C ATOM 365 CG HIS A 23 0.487 4.290 28.407 1.00 0.00 C ATOM 366 ND1 HIS A 23 1.103 4.226 27.183 1.00 0.00 N ATOM 367 CD2 HIS A 23 -0.827 4.589 28.181 1.00 0.00 C ATOM 368 CE1 HIS A 23 0.178 4.485 26.242 1.00 0.00 C ATOM 369 NE2 HIS A 23 -1.019 4.716 26.802 1.00 0.00 N ATOM 0 H HIS A 23 1.751 1.272 28.663 1.00 0.00 H new ATOM 0 HA HIS A 23 1.471 2.519 31.229 1.00 0.00 H new ATOM 0 HB2 HIS A 23 0.591 4.631 30.498 1.00 0.00 H new ATOM 0 HB3 HIS A 23 2.149 4.444 29.716 1.00 0.00 H new ATOM 0 HD1 HIS A 23 2.088 4.019 27.016 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -1.588 4.707 28.939 1.00 0.00 H new ATOM 0 HE1 HIS A 23 0.372 4.504 25.180 1.00 0.00 H new ATOM 377 N ILE A 24 -1.153 2.444 30.938 1.00 0.00 N ATOM 378 CA ILE A 24 -2.571 2.054 31.045 1.00 0.00 C ATOM 379 C ILE A 24 -3.469 3.263 30.757 1.00 0.00 C ATOM 380 O ILE A 24 -3.030 4.398 30.943 1.00 0.00 O ATOM 381 CB ILE A 24 -2.863 1.476 32.454 1.00 0.00 C ATOM 382 CG1 ILE A 24 -2.602 2.496 33.594 1.00 0.00 C ATOM 383 CG2 ILE A 24 -2.056 0.183 32.662 1.00 0.00 C ATOM 384 CD1 ILE A 24 -3.016 1.989 34.980 1.00 0.00 C ATOM 0 H ILE A 24 -0.925 3.217 31.563 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.785 1.280 30.308 1.00 0.00 H new ATOM 0 HB ILE A 24 -3.928 1.247 32.501 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -1.541 2.746 33.610 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -3.143 3.417 33.377 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -2.264 -0.220 33.653 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -2.340 -0.549 31.906 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -0.991 0.400 32.575 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -2.804 2.755 35.726 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -4.083 1.766 34.982 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -2.456 1.085 35.219 1.00 0.00 H new ATOM 396 N ALA A 25 -4.731 3.063 30.375 1.00 0.00 N ATOM 397 CA ALA A 25 -5.638 4.151 29.992 1.00 0.00 C ATOM 398 C ALA A 25 -5.871 5.212 31.090 1.00 0.00 C ATOM 399 O ALA A 25 -6.121 6.376 30.773 1.00 0.00 O ATOM 400 CB ALA A 25 -6.964 3.527 29.538 1.00 0.00 C ATOM 0 H ALA A 25 -5.157 2.138 30.322 1.00 0.00 H new ATOM 0 HA ALA A 25 -5.162 4.704 29.182 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.657 4.317 29.247 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -6.784 2.870 28.687 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -7.394 2.950 30.357 1.00 0.00 H new ATOM 406 N LYS A 26 -5.740 4.849 32.372 1.00 0.00 N ATOM 407 CA LYS A 26 -5.784 5.783 33.513 1.00 0.00 C ATOM 408 C LYS A 26 -4.600 6.773 33.516 1.00 0.00 C ATOM 409 O LYS A 26 -4.738 7.936 33.903 1.00 0.00 O ATOM 410 CB LYS A 26 -5.811 4.936 34.799 1.00 0.00 C ATOM 411 CG LYS A 26 -6.271 5.731 36.029 1.00 0.00 C ATOM 412 CD LYS A 26 -6.362 4.818 37.259 1.00 0.00 C ATOM 413 CE LYS A 26 -6.961 5.582 38.447 1.00 0.00 C ATOM 414 NZ LYS A 26 -7.027 4.738 39.669 1.00 0.00 N ATOM 0 H LYS A 26 -5.597 3.879 32.655 1.00 0.00 H new ATOM 0 HA LYS A 26 -6.677 6.404 33.440 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -6.476 4.085 34.653 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -4.815 4.534 34.984 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -5.573 6.545 36.224 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -7.243 6.184 35.833 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -6.978 3.948 37.030 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -5.371 4.447 37.519 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -6.360 6.468 38.649 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -7.962 5.928 38.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -7.437 5.289 40.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -7.621 3.905 39.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -6.069 4.429 39.930 1.00 0.00 H new ATOM 428 N ASN A 27 -3.439 6.310 33.050 1.00 0.00 N ATOM 429 CA ASN A 27 -2.191 7.063 32.901 1.00 0.00 C ATOM 430 C ASN A 27 -2.088 7.735 31.509 1.00 0.00 C ATOM 431 O ASN A 27 -1.437 8.768 31.352 1.00 0.00 O ATOM 432 CB ASN A 27 -1.059 6.052 33.156 1.00 0.00 C ATOM 433 CG ASN A 27 0.329 6.645 33.372 1.00 0.00 C ATOM 434 OD1 ASN A 27 0.537 7.848 33.466 1.00 0.00 O ATOM 435 ND2 ASN A 27 1.326 5.784 33.484 1.00 0.00 N ATOM 0 H ASN A 27 -3.338 5.341 32.748 1.00 0.00 H new ATOM 0 HA ASN A 27 -2.135 7.890 33.609 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -1.319 5.458 34.032 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -1.012 5.367 32.309 1.00 0.00 H new ATOM 0 HD21 ASN A 27 2.274 6.121 33.650 1.00 0.00 H new ATOM 0 HD22 ASN A 27 1.147 4.783 33.405 1.00 0.00 H new ATOM 442 N CYS A 28 -2.779 7.181 30.504 1.00 0.00 N ATOM 443 CA CYS A 28 -2.906 7.730 29.148 1.00 0.00 C ATOM 444 C CYS A 28 -3.531 9.130 29.116 1.00 0.00 C ATOM 445 O CYS A 28 -4.383 9.465 29.947 1.00 0.00 O ATOM 446 CB CYS A 28 -3.750 6.795 28.285 1.00 0.00 C ATOM 447 SG CYS A 28 -3.698 7.177 26.517 1.00 0.00 S ATOM 0 H CYS A 28 -3.285 6.303 30.618 1.00 0.00 H new ATOM 0 HA CYS A 28 -1.892 7.815 28.757 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -3.408 5.771 28.435 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -4.785 6.838 28.625 1.00 0.00 H new ATOM 452 N ARG A 29 -3.119 9.936 28.132 1.00 0.00 N ATOM 453 CA ARG A 29 -3.630 11.288 27.860 1.00 0.00 C ATOM 454 C ARG A 29 -4.047 11.478 26.384 1.00 0.00 C ATOM 455 O ARG A 29 -4.322 12.604 25.962 1.00 0.00 O ATOM 456 CB ARG A 29 -2.580 12.332 28.306 1.00 0.00 C ATOM 457 CG ARG A 29 -2.200 12.268 29.800 1.00 0.00 C ATOM 458 CD ARG A 29 -3.371 12.592 30.742 1.00 0.00 C ATOM 459 NE ARG A 29 -2.987 12.435 32.159 1.00 0.00 N ATOM 460 CZ ARG A 29 -3.342 11.454 32.985 1.00 0.00 C ATOM 461 NH1 ARG A 29 -4.052 10.418 32.594 1.00 0.00 N ATOM 462 NH2 ARG A 29 -2.983 11.505 34.249 1.00 0.00 N ATOM 0 H ARG A 29 -2.391 9.655 27.475 1.00 0.00 H new ATOM 0 HA ARG A 29 -4.541 11.434 28.440 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -1.678 12.197 27.710 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -2.962 13.329 28.085 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -1.824 11.271 30.029 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -1.386 12.967 29.991 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -3.708 13.614 30.567 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -4.212 11.936 30.517 1.00 0.00 H new ATOM 0 HE ARG A 29 -2.383 13.159 32.548 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -4.353 10.344 31.622 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -4.301 9.689 33.262 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -2.435 12.294 34.592 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -3.253 10.756 34.886 1.00 0.00 H new ATOM 476 N ALA A 30 -4.114 10.400 25.591 1.00 0.00 N ATOM 477 CA ALA A 30 -4.683 10.413 24.237 1.00 0.00 C ATOM 478 C ALA A 30 -6.219 10.624 24.277 1.00 0.00 C ATOM 479 O ALA A 30 -6.837 10.334 25.312 1.00 0.00 O ATOM 480 CB ALA A 30 -4.304 9.088 23.553 1.00 0.00 C ATOM 0 H ALA A 30 -3.770 9.483 25.876 1.00 0.00 H new ATOM 0 HA ALA A 30 -4.278 11.248 23.665 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -4.714 9.069 22.543 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -3.219 9.001 23.505 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -4.710 8.254 24.125 1.00 0.00 H new ATOM 486 N PRO A 31 -6.854 11.091 23.181 1.00 0.00 N ATOM 487 CA PRO A 31 -8.308 11.222 23.107 1.00 0.00 C ATOM 488 C PRO A 31 -8.987 9.855 23.257 1.00 0.00 C ATOM 489 O PRO A 31 -8.491 8.839 22.766 1.00 0.00 O ATOM 490 CB PRO A 31 -8.610 11.887 21.759 1.00 0.00 C ATOM 491 CG PRO A 31 -7.391 11.537 20.907 1.00 0.00 C ATOM 492 CD PRO A 31 -6.253 11.523 21.926 1.00 0.00 C ATOM 0 HA PRO A 31 -8.703 11.831 23.920 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -9.530 11.503 21.319 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -8.732 12.965 21.862 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -7.505 10.570 20.416 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -7.221 12.275 20.123 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -5.459 10.843 21.617 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -5.805 12.511 22.026 1.00 0.00 H new ATOM 500 N ARG A 32 -10.117 9.836 23.972 1.00 0.00 N ATOM 501 CA ARG A 32 -10.822 8.613 24.369 1.00 0.00 C ATOM 502 C ARG A 32 -11.997 8.306 23.434 1.00 0.00 C ATOM 503 O ARG A 32 -12.720 9.202 22.990 1.00 0.00 O ATOM 504 CB ARG A 32 -11.245 8.685 25.842 1.00 0.00 C ATOM 505 CG ARG A 32 -10.072 9.014 26.784 1.00 0.00 C ATOM 506 CD ARG A 32 -10.493 8.966 28.259 1.00 0.00 C ATOM 507 NE ARG A 32 -9.387 9.346 29.159 1.00 0.00 N ATOM 508 CZ ARG A 32 -8.321 8.621 29.483 1.00 0.00 C ATOM 509 NH1 ARG A 32 -8.090 7.426 28.986 1.00 0.00 N ATOM 510 NH2 ARG A 32 -7.442 9.086 30.340 1.00 0.00 N ATOM 0 H ARG A 32 -10.576 10.687 24.297 1.00 0.00 H new ATOM 0 HA ARG A 32 -10.131 7.776 24.271 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -12.020 9.443 25.956 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -11.685 7.732 26.136 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -9.261 8.306 26.615 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -9.684 10.005 26.549 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -11.337 9.637 28.418 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -10.834 7.961 28.507 1.00 0.00 H new ATOM 0 HE ARG A 32 -9.448 10.272 29.581 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -8.744 7.016 28.320 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -7.257 6.909 29.267 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -7.576 10.006 30.759 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -6.625 8.527 30.587 1.00 0.00 H new ATOM 524 N LYS A 33 -12.163 7.019 23.126 1.00 0.00 N ATOM 525 CA LYS A 33 -13.152 6.488 22.173 1.00 0.00 C ATOM 526 C LYS A 33 -14.620 6.792 22.550 1.00 0.00 C ATOM 527 O LYS A 33 -14.940 7.118 23.693 1.00 0.00 O ATOM 528 CB LYS A 33 -12.907 4.972 22.008 1.00 0.00 C ATOM 529 CG LYS A 33 -11.564 4.701 21.310 1.00 0.00 C ATOM 530 CD LYS A 33 -11.260 3.203 21.185 1.00 0.00 C ATOM 531 CE LYS A 33 -9.975 3.022 20.368 1.00 0.00 C ATOM 532 NZ LYS A 33 -9.500 1.615 20.380 1.00 0.00 N ATOM 0 H LYS A 33 -11.593 6.286 23.547 1.00 0.00 H new ATOM 0 HA LYS A 33 -13.007 7.002 21.223 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -12.916 4.491 22.986 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -13.717 4.531 21.428 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -11.577 5.150 20.317 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -10.763 5.186 21.869 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -11.144 2.758 22.173 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -12.090 2.689 20.700 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -10.153 3.336 19.339 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -9.196 3.671 20.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -8.630 1.538 19.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -9.305 1.323 21.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -10.232 0.998 19.973 1.00 0.00 H new ATOM 546 N LYS A 34 -15.544 6.619 21.598 1.00 0.00 N ATOM 547 CA LYS A 34 -16.996 6.833 21.783 1.00 0.00 C ATOM 548 C LYS A 34 -17.721 5.645 22.465 1.00 0.00 C ATOM 549 O LYS A 34 -18.928 5.450 22.294 1.00 0.00 O ATOM 550 CB LYS A 34 -17.621 7.220 20.423 1.00 0.00 C ATOM 551 CG LYS A 34 -17.054 8.539 19.863 1.00 0.00 C ATOM 552 CD LYS A 34 -17.679 8.939 18.517 1.00 0.00 C ATOM 553 CE LYS A 34 -19.172 9.280 18.644 1.00 0.00 C ATOM 554 NZ LYS A 34 -19.743 9.736 17.350 1.00 0.00 N ATOM 0 H LYS A 34 -15.304 6.319 20.653 1.00 0.00 H new ATOM 0 HA LYS A 34 -17.132 7.655 22.486 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -17.444 6.419 19.705 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -18.701 7.313 20.537 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -17.223 9.337 20.587 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -15.975 8.442 19.742 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -17.145 9.799 18.113 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -17.554 8.123 17.805 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -19.717 8.403 18.994 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -19.305 10.059 19.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -20.752 9.957 17.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -19.239 10.587 17.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -19.639 8.983 16.640 1.00 0.00 H new ATOM 568 N GLY A 35 -16.984 4.825 23.223 1.00 0.00 N ATOM 569 CA GLY A 35 -17.476 3.613 23.881 1.00 0.00 C ATOM 570 C GLY A 35 -16.429 2.869 24.711 1.00 0.00 C ATOM 571 O GLY A 35 -15.281 3.296 24.843 1.00 0.00 O ATOM 0 H GLY A 35 -15.994 4.995 23.400 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -18.311 3.881 24.529 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -17.866 2.936 23.121 1.00 0.00 H new ATOM 575 N CYS A 36 -16.865 1.743 25.267 1.00 0.00 N ATOM 576 CA CYS A 36 -16.114 0.828 26.126 1.00 0.00 C ATOM 577 C CYS A 36 -14.862 0.250 25.460 1.00 0.00 C ATOM 578 O CYS A 36 -14.903 -0.179 24.304 1.00 0.00 O ATOM 579 CB CYS A 36 -17.074 -0.290 26.515 1.00 0.00 C ATOM 580 SG CYS A 36 -16.411 -1.680 27.466 1.00 0.00 S ATOM 0 H CYS A 36 -17.822 1.421 25.120 1.00 0.00 H new ATOM 0 HA CYS A 36 -15.746 1.377 26.993 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -17.887 0.152 27.091 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -17.512 -0.689 25.600 1.00 0.00 H new ATOM 585 N TRP A 37 -13.750 0.191 26.194 1.00 0.00 N ATOM 586 CA TRP A 37 -12.509 -0.444 25.742 1.00 0.00 C ATOM 587 C TRP A 37 -12.494 -1.975 25.947 1.00 0.00 C ATOM 588 O TRP A 37 -11.618 -2.649 25.401 1.00 0.00 O ATOM 589 CB TRP A 37 -11.320 0.202 26.468 1.00 0.00 C ATOM 590 CG TRP A 37 -11.188 1.694 26.401 1.00 0.00 C ATOM 591 CD1 TRP A 37 -11.314 2.455 25.290 1.00 0.00 C ATOM 592 CD2 TRP A 37 -10.892 2.628 27.487 1.00 0.00 C ATOM 593 NE1 TRP A 37 -11.121 3.783 25.611 1.00 0.00 N ATOM 594 CE2 TRP A 37 -10.870 3.948 26.953 1.00 0.00 C ATOM 595 CE3 TRP A 37 -10.669 2.502 28.876 1.00 0.00 C ATOM 596 CZ2 TRP A 37 -10.652 5.080 27.747 1.00 0.00 C ATOM 597 CZ3 TRP A 37 -10.478 3.633 29.692 1.00 0.00 C ATOM 598 CH2 TRP A 37 -10.483 4.923 29.131 1.00 0.00 C ATOM 0 H TRP A 37 -13.684 0.588 27.131 1.00 0.00 H new ATOM 0 HA TRP A 37 -12.435 -0.283 24.667 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -11.374 -0.083 27.519 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -10.405 -0.234 26.066 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -11.533 2.080 24.301 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -11.160 4.547 24.937 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -10.645 1.518 29.321 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -10.614 6.062 27.300 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -10.327 3.510 30.754 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -10.357 5.789 29.763 1.00 0.00 H new ATOM 609 N LYS A 38 -13.428 -2.532 26.730 1.00 0.00 N ATOM 610 CA LYS A 38 -13.453 -3.951 27.127 1.00 0.00 C ATOM 611 C LYS A 38 -14.418 -4.817 26.286 1.00 0.00 C ATOM 612 O LYS A 38 -14.115 -5.989 26.049 1.00 0.00 O ATOM 613 CB LYS A 38 -13.720 -4.004 28.644 1.00 0.00 C ATOM 614 CG LYS A 38 -13.478 -5.385 29.270 1.00 0.00 C ATOM 615 CD LYS A 38 -13.710 -5.336 30.790 1.00 0.00 C ATOM 616 CE LYS A 38 -13.211 -6.600 31.509 1.00 0.00 C ATOM 617 NZ LYS A 38 -13.968 -7.821 31.129 1.00 0.00 N ATOM 0 H LYS A 38 -14.207 -1.998 27.115 1.00 0.00 H new ATOM 0 HA LYS A 38 -12.486 -4.407 26.916 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -13.082 -3.274 29.141 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -14.752 -3.706 28.832 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -14.146 -6.118 28.818 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -12.459 -5.712 29.062 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -13.202 -4.464 31.203 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -14.774 -5.208 30.987 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -12.155 -6.748 31.281 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -13.287 -6.453 32.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -13.524 -8.654 31.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -14.950 -7.738 31.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -13.960 -7.926 30.094 1.00 0.00 H new ATOM 631 N CYS A 39 -15.524 -4.257 25.772 1.00 0.00 N ATOM 632 CA CYS A 39 -16.395 -4.925 24.769 1.00 0.00 C ATOM 633 C CYS A 39 -16.524 -4.198 23.420 1.00 0.00 C ATOM 634 O CYS A 39 -16.815 -4.845 22.410 1.00 0.00 O ATOM 635 CB CYS A 39 -17.798 -5.200 25.326 1.00 0.00 C ATOM 636 SG CYS A 39 -18.954 -3.806 25.379 1.00 0.00 S ATOM 0 H CYS A 39 -15.848 -3.326 26.035 1.00 0.00 H new ATOM 0 HA CYS A 39 -15.875 -5.861 24.567 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -18.250 -5.991 24.728 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -17.690 -5.588 26.339 1.00 0.00 H new ATOM 641 N GLY A 40 -16.280 -2.881 23.375 1.00 0.00 N ATOM 642 CA GLY A 40 -16.323 -2.054 22.159 1.00 0.00 C ATOM 643 C GLY A 40 -17.602 -1.229 21.980 1.00 0.00 C ATOM 644 O GLY A 40 -17.590 -0.279 21.196 1.00 0.00 O ATOM 0 H GLY A 40 -16.040 -2.345 24.209 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -15.470 -1.376 22.169 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -16.204 -2.704 21.292 1.00 0.00 H new ATOM 648 N LYS A 41 -18.704 -1.554 22.671 1.00 0.00 N ATOM 649 CA LYS A 41 -19.985 -0.850 22.504 1.00 0.00 C ATOM 650 C LYS A 41 -20.060 0.521 23.205 1.00 0.00 C ATOM 651 O LYS A 41 -19.292 0.842 24.113 1.00 0.00 O ATOM 652 CB LYS A 41 -21.151 -1.767 22.908 1.00 0.00 C ATOM 653 CG LYS A 41 -21.436 -2.796 21.803 1.00 0.00 C ATOM 654 CD LYS A 41 -22.689 -3.634 22.090 1.00 0.00 C ATOM 655 CE LYS A 41 -23.993 -2.834 22.263 1.00 0.00 C ATOM 656 NZ LYS A 41 -24.298 -1.945 21.107 1.00 0.00 N ATOM 0 H LYS A 41 -18.734 -2.308 23.358 1.00 0.00 H new ATOM 0 HA LYS A 41 -20.066 -0.613 21.443 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -20.911 -2.281 23.839 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -22.043 -1.169 23.095 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -21.559 -2.278 20.852 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -20.577 -3.458 21.697 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -22.824 -4.345 21.275 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -22.517 -4.216 22.995 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -24.821 -3.529 22.406 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -23.923 -2.230 23.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -25.320 -1.757 21.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -23.784 -1.047 21.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -24.003 -2.409 20.225 1.00 0.00 H new ATOM 670 N GLU A 42 -21.009 1.335 22.752 1.00 0.00 N ATOM 671 CA GLU A 42 -21.241 2.723 23.149 1.00 0.00 C ATOM 672 C GLU A 42 -22.042 2.864 24.461 1.00 0.00 C ATOM 673 O GLU A 42 -22.593 1.895 24.992 1.00 0.00 O ATOM 674 CB GLU A 42 -21.931 3.468 21.984 1.00 0.00 C ATOM 675 CG GLU A 42 -23.313 2.929 21.559 1.00 0.00 C ATOM 676 CD GLU A 42 -23.231 1.748 20.575 1.00 0.00 C ATOM 677 OE1 GLU A 42 -23.064 0.590 21.028 1.00 0.00 O ATOM 678 OE2 GLU A 42 -23.330 1.971 19.347 1.00 0.00 O ATOM 0 H GLU A 42 -21.682 1.023 22.051 1.00 0.00 H new ATOM 0 HA GLU A 42 -20.272 3.175 23.360 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -22.042 4.515 22.264 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -21.270 3.438 21.118 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -23.861 2.615 22.447 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -23.884 3.736 21.100 1.00 0.00 H new ATOM 685 N GLY A 43 -22.113 4.095 24.986 1.00 0.00 N ATOM 686 CA GLY A 43 -23.023 4.489 26.074 1.00 0.00 C ATOM 687 C GLY A 43 -22.613 4.108 27.500 1.00 0.00 C ATOM 688 O GLY A 43 -23.405 4.326 28.416 1.00 0.00 O ATOM 0 H GLY A 43 -21.527 4.863 24.660 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -23.147 5.571 26.036 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -24.000 4.049 25.874 1.00 0.00 H new ATOM 692 N HIS A 44 -21.417 3.555 27.717 1.00 0.00 N ATOM 693 CA HIS A 44 -20.960 3.082 29.027 1.00 0.00 C ATOM 694 C HIS A 44 -19.415 3.054 29.165 1.00 0.00 C ATOM 695 O HIS A 44 -18.681 3.106 28.174 1.00 0.00 O ATOM 696 CB HIS A 44 -21.612 1.710 29.304 1.00 0.00 C ATOM 697 CG HIS A 44 -21.090 0.582 28.459 1.00 0.00 C ATOM 698 ND1 HIS A 44 -21.371 0.343 27.138 1.00 0.00 N ATOM 699 CD2 HIS A 44 -20.209 -0.381 28.862 1.00 0.00 C ATOM 700 CE1 HIS A 44 -20.655 -0.727 26.751 1.00 0.00 C ATOM 701 NE2 HIS A 44 -19.934 -1.216 27.772 1.00 0.00 N ATOM 0 H HIS A 44 -20.728 3.421 26.977 1.00 0.00 H new ATOM 0 HA HIS A 44 -21.279 3.793 29.789 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -21.463 1.458 30.354 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -22.687 1.796 29.146 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -22.010 0.882 26.553 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -19.794 -0.481 29.854 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -20.659 -1.138 25.752 1.00 0.00 H new ATOM 709 N GLN A 45 -18.933 2.962 30.410 1.00 0.00 N ATOM 710 CA GLN A 45 -17.520 2.770 30.765 1.00 0.00 C ATOM 711 C GLN A 45 -17.271 1.304 31.157 1.00 0.00 C ATOM 712 O GLN A 45 -18.167 0.632 31.673 1.00 0.00 O ATOM 713 CB GLN A 45 -17.146 3.686 31.945 1.00 0.00 C ATOM 714 CG GLN A 45 -17.103 5.182 31.575 1.00 0.00 C ATOM 715 CD GLN A 45 -16.629 6.074 32.731 1.00 0.00 C ATOM 716 OE1 GLN A 45 -16.503 5.660 33.879 1.00 0.00 O ATOM 717 NE2 GLN A 45 -16.346 7.341 32.501 1.00 0.00 N ATOM 0 H GLN A 45 -19.538 3.021 31.229 1.00 0.00 H new ATOM 0 HA GLN A 45 -16.904 3.022 29.902 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -17.866 3.540 32.750 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -16.171 3.388 32.331 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -16.439 5.320 30.721 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -18.097 5.501 31.261 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -16.439 7.721 31.559 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -16.034 7.941 33.265 1.00 0.00 H new ATOM 726 N MET A 46 -16.046 0.802 30.966 1.00 0.00 N ATOM 727 CA MET A 46 -15.740 -0.622 31.150 1.00 0.00 C ATOM 728 C MET A 46 -15.849 -1.153 32.598 1.00 0.00 C ATOM 729 O MET A 46 -15.878 -2.367 32.792 1.00 0.00 O ATOM 730 CB MET A 46 -14.397 -0.960 30.491 1.00 0.00 C ATOM 731 CG MET A 46 -13.185 -0.244 31.083 1.00 0.00 C ATOM 732 SD MET A 46 -11.612 -0.941 30.520 1.00 0.00 S ATOM 733 CE MET A 46 -10.488 -0.065 31.635 1.00 0.00 C ATOM 0 H MET A 46 -15.245 1.365 30.682 1.00 0.00 H new ATOM 0 HA MET A 46 -16.537 -1.164 30.641 1.00 0.00 H new ATOM 0 HB2 MET A 46 -14.235 -2.035 30.564 1.00 0.00 H new ATOM 0 HB3 MET A 46 -14.460 -0.718 29.430 1.00 0.00 H new ATOM 0 HG2 MET A 46 -13.226 0.812 30.815 1.00 0.00 H new ATOM 0 HG3 MET A 46 -13.232 -0.298 32.171 1.00 0.00 H new ATOM 0 HE1 MET A 46 -9.457 -0.261 31.340 1.00 0.00 H new ATOM 0 HE2 MET A 46 -10.684 1.006 31.581 1.00 0.00 H new ATOM 0 HE3 MET A 46 -10.645 -0.412 32.656 1.00 0.00 H new ATOM 743 N LYS A 47 -15.959 -0.284 33.614 1.00 0.00 N ATOM 744 CA LYS A 47 -16.305 -0.682 34.995 1.00 0.00 C ATOM 745 C LYS A 47 -17.816 -0.891 35.230 1.00 0.00 C ATOM 746 O LYS A 47 -18.194 -1.616 36.152 1.00 0.00 O ATOM 747 CB LYS A 47 -15.733 0.305 36.028 1.00 0.00 C ATOM 748 CG LYS A 47 -16.012 1.787 35.742 1.00 0.00 C ATOM 749 CD LYS A 47 -15.646 2.670 36.941 1.00 0.00 C ATOM 750 CE LYS A 47 -15.939 4.140 36.621 1.00 0.00 C ATOM 751 NZ LYS A 47 -15.353 5.060 37.631 1.00 0.00 N ATOM 0 H LYS A 47 -15.811 0.719 33.505 1.00 0.00 H new ATOM 0 HA LYS A 47 -15.836 -1.656 35.134 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -16.142 0.058 37.008 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -14.654 0.160 36.087 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -15.442 2.103 34.868 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -17.066 1.920 35.500 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -16.215 2.360 37.818 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -14.591 2.546 37.185 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -15.540 4.382 35.636 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -17.017 4.293 36.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -15.836 5.980 37.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -15.472 4.654 38.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -14.340 5.191 37.435 1.00 0.00 H new ATOM 765 N ASP A 48 -18.683 -0.282 34.413 1.00 0.00 N ATOM 766 CA ASP A 48 -20.126 -0.575 34.391 1.00 0.00 C ATOM 767 C ASP A 48 -20.411 -1.865 33.595 1.00 0.00 C ATOM 768 O ASP A 48 -21.399 -2.559 33.842 1.00 0.00 O ATOM 769 CB ASP A 48 -20.871 0.628 33.793 1.00 0.00 C ATOM 770 CG ASP A 48 -22.398 0.464 33.875 1.00 0.00 C ATOM 771 OD1 ASP A 48 -22.944 0.484 35.005 1.00 0.00 O ATOM 772 OD2 ASP A 48 -23.049 0.351 32.809 1.00 0.00 O ATOM 0 H ASP A 48 -18.404 0.434 33.742 1.00 0.00 H new ATOM 0 HA ASP A 48 -20.480 -0.741 35.408 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -20.576 1.535 34.320 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -20.576 0.755 32.751 1.00 0.00 H new ATOM 777 N CYS A 49 -19.505 -2.207 32.673 1.00 0.00 N ATOM 778 CA CYS A 49 -19.474 -3.463 31.921 1.00 0.00 C ATOM 779 C CYS A 49 -19.021 -4.683 32.750 1.00 0.00 C ATOM 780 O CYS A 49 -18.622 -4.558 33.917 1.00 0.00 O ATOM 781 CB CYS A 49 -18.561 -3.265 30.711 1.00 0.00 C ATOM 782 SG CYS A 49 -18.893 -4.397 29.348 1.00 0.00 S ATOM 0 H CYS A 49 -18.737 -1.585 32.420 1.00 0.00 H new ATOM 0 HA CYS A 49 -20.495 -3.694 31.617 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -18.667 -2.241 30.353 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -17.525 -3.387 31.027 1.00 0.00 H new ATOM 787 N THR A 50 -19.071 -5.869 32.131 1.00 0.00 N ATOM 788 CA THR A 50 -18.734 -7.179 32.720 1.00 0.00 C ATOM 789 C THR A 50 -17.963 -8.024 31.711 1.00 0.00 C ATOM 790 O THR A 50 -16.733 -8.064 31.765 1.00 0.00 O ATOM 791 CB THR A 50 -19.986 -7.902 33.259 1.00 0.00 C ATOM 792 OG1 THR A 50 -21.002 -7.929 32.275 1.00 0.00 O ATOM 793 CG2 THR A 50 -20.552 -7.222 34.506 1.00 0.00 C ATOM 0 H THR A 50 -19.362 -5.949 31.157 1.00 0.00 H new ATOM 0 HA THR A 50 -18.087 -7.016 33.582 1.00 0.00 H new ATOM 0 HB THR A 50 -19.673 -8.913 33.518 1.00 0.00 H new ATOM 0 HG1 THR A 50 -21.789 -8.392 32.630 1.00 0.00 H new ATOM 0 HG21 THR A 50 -21.432 -7.766 34.849 1.00 0.00 H new ATOM 0 HG22 THR A 50 -19.798 -7.219 35.293 1.00 0.00 H new ATOM 0 HG23 THR A 50 -20.830 -6.196 34.266 1.00 0.00 H new ATOM 801 N GLU A 51 -18.666 -8.678 30.791 1.00 0.00 N ATOM 802 CA GLU A 51 -18.137 -9.540 29.729 1.00 0.00 C ATOM 803 C GLU A 51 -18.523 -9.029 28.329 1.00 0.00 C ATOM 804 O GLU A 51 -19.480 -8.265 28.175 1.00 0.00 O ATOM 805 CB GLU A 51 -18.610 -10.987 29.959 1.00 0.00 C ATOM 806 CG GLU A 51 -20.125 -11.198 29.811 1.00 0.00 C ATOM 807 CD GLU A 51 -20.507 -12.650 30.135 1.00 0.00 C ATOM 808 OE1 GLU A 51 -20.464 -13.511 29.222 1.00 0.00 O ATOM 809 OE2 GLU A 51 -20.855 -12.946 31.303 1.00 0.00 O ATOM 0 H GLU A 51 -19.684 -8.619 30.762 1.00 0.00 H new ATOM 0 HA GLU A 51 -17.048 -9.516 29.771 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -18.095 -11.640 29.254 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -18.309 -11.299 30.959 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -20.658 -10.520 30.477 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -20.433 -10.954 28.794 1.00 0.00 H new ATOM 816 N ARG A 52 -17.780 -9.459 27.297 1.00 0.00 N ATOM 817 CA ARG A 52 -17.958 -8.982 25.917 1.00 0.00 C ATOM 818 C ARG A 52 -19.382 -9.214 25.380 1.00 0.00 C ATOM 819 O ARG A 52 -19.968 -10.286 25.555 1.00 0.00 O ATOM 820 CB ARG A 52 -16.870 -9.546 24.984 1.00 0.00 C ATOM 821 CG ARG A 52 -16.905 -11.076 24.798 1.00 0.00 C ATOM 822 CD ARG A 52 -15.770 -11.570 23.890 1.00 0.00 C ATOM 823 NE ARG A 52 -15.929 -11.081 22.509 1.00 0.00 N ATOM 824 CZ ARG A 52 -15.021 -11.099 21.544 1.00 0.00 C ATOM 825 NH1 ARG A 52 -13.821 -11.618 21.703 1.00 0.00 N ATOM 826 NH2 ARG A 52 -15.340 -10.580 20.383 1.00 0.00 N ATOM 0 H ARG A 52 -17.036 -10.150 27.397 1.00 0.00 H new ATOM 0 HA ARG A 52 -17.832 -7.899 25.938 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -16.969 -9.073 24.007 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -15.893 -9.264 25.377 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -16.829 -11.562 25.771 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -17.864 -11.368 24.371 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -14.812 -11.234 24.288 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -15.751 -12.660 23.891 1.00 0.00 H new ATOM 0 HE ARG A 52 -16.838 -10.685 22.270 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -13.558 -12.029 22.599 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -13.155 -11.609 20.931 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -16.266 -10.177 20.242 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -14.662 -10.579 19.621 1.00 0.00 H new ATOM 840 N GLN A 53 -19.931 -8.198 24.710 1.00 0.00 N ATOM 841 CA GLN A 53 -21.325 -8.163 24.245 1.00 0.00 C ATOM 842 C GLN A 53 -21.497 -8.601 22.776 1.00 0.00 C ATOM 843 O GLN A 53 -22.633 -8.751 22.318 1.00 0.00 O ATOM 844 CB GLN A 53 -21.878 -6.743 24.462 1.00 0.00 C ATOM 845 CG GLN A 53 -21.940 -6.351 25.949 1.00 0.00 C ATOM 846 CD GLN A 53 -22.673 -5.026 26.158 1.00 0.00 C ATOM 847 OE1 GLN A 53 -23.849 -4.980 26.502 1.00 0.00 O ATOM 848 NE2 GLN A 53 -22.029 -3.900 25.936 1.00 0.00 N ATOM 0 H GLN A 53 -19.409 -7.356 24.469 1.00 0.00 H new ATOM 0 HA GLN A 53 -21.889 -8.889 24.830 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -21.252 -6.028 23.928 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -22.877 -6.677 24.031 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -22.444 -7.137 26.511 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -20.928 -6.273 26.347 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -21.050 -3.920 25.649 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -22.508 -3.007 26.051 1.00 0.00 H new ATOM 857 N ALA A 54 -20.404 -8.824 22.034 1.00 0.00 N ATOM 858 CA ALA A 54 -20.412 -9.219 20.620 1.00 0.00 C ATOM 859 C ALA A 54 -19.185 -10.077 20.250 1.00 0.00 C ATOM 860 O ALA A 54 -18.137 -10.001 20.901 1.00 0.00 O ATOM 861 CB ALA A 54 -20.492 -7.950 19.758 1.00 0.00 C ATOM 0 H ALA A 54 -19.462 -8.732 22.413 1.00 0.00 H new ATOM 0 HA ALA A 54 -21.283 -9.846 20.431 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -20.499 -8.226 18.704 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -21.406 -7.405 19.996 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -19.628 -7.317 19.962 1.00 0.00 H new ATOM 867 N ASN A 55 -19.320 -10.885 19.190 1.00 0.00 N ATOM 868 CA ASN A 55 -18.264 -11.738 18.619 1.00 0.00 C ATOM 869 C ASN A 55 -17.432 -10.995 17.550 1.00 0.00 C ATOM 870 O ASN A 55 -18.003 -10.209 16.761 1.00 0.00 O ATOM 871 CB ASN A 55 -18.923 -13.028 18.065 1.00 0.00 C ATOM 872 CG ASN A 55 -17.988 -14.215 17.832 1.00 0.00 C ATOM 873 OD1 ASN A 55 -18.385 -15.366 17.951 1.00 0.00 O ATOM 874 ND2 ASN A 55 -16.732 -14.004 17.507 1.00 0.00 N ATOM 875 OXT ASN A 55 -16.207 -11.244 17.495 1.00 0.00 O ATOM 0 H ASN A 55 -20.202 -10.967 18.685 1.00 0.00 H new ATOM 0 HA ASN A 55 -17.552 -12.007 19.399 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -19.705 -13.338 18.758 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -19.411 -12.786 17.121 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -16.104 -14.794 17.358 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -16.385 -13.050 17.404 1.00 0.00 H new TER 882 ASN A 55 HETATM 883 ZN ZN A 101 -2.956 5.065 25.661 1.00 0.00 ZN HETATM 884 ZN ZN A 102 -18.441 -2.927 27.524 1.00 0.00 ZN HETATM 885 C9 1HF A 103 -8.870 2.629 34.845 1.00 0.00 C HETATM 886 C10 1HF A 103 -9.348 3.905 35.033 1.00 0.00 C HETATM 887 C13 1HF A 103 -9.237 6.143 32.390 1.00 0.00 C HETATM 888 C6 1HF A 103 -5.784 -0.886 31.568 1.00 0.00 C HETATM 889 C4 1HF A 103 -5.157 -2.820 33.185 1.00 0.00 C HETATM 890 C3 1HF A 103 -4.242 -3.869 33.355 1.00 0.00 C HETATM 891 N1 1HF A 103 -7.160 -0.453 33.502 1.00 0.00 N HETATM 892 C2 1HF A 103 -3.263 -4.130 32.380 1.00 0.00 C HETATM 893 C 1HF A 103 -4.099 -2.320 31.091 1.00 0.00 C HETATM 894 C1 1HF A 103 -3.196 -3.358 31.218 1.00 0.00 C HETATM 895 C5 1HF A 103 -5.048 -2.037 32.039 1.00 0.00 C HETATM 896 N 1HF A 103 -6.719 -0.169 32.108 1.00 0.00 N HETATM 897 C7 1HF A 103 -7.812 0.525 34.024 1.00 0.00 C HETATM 898 C8 1HF A 103 -5.191 -0.504 30.256 1.00 0.00 C HETATM 899 O 1HF A 103 -5.415 0.420 29.492 1.00 0.00 O HETATM 900 N2 1HF A 103 -4.206 -1.386 30.052 1.00 0.00 N HETATM 901 S 1HF A 103 -8.233 2.079 33.323 1.00 0.00 S HETATM 902 C11 1HF A 103 -9.412 4.915 34.140 1.00 0.00 C HETATM 903 C12 1HF A 103 -8.798 1.586 35.860 1.00 0.00 C HETATM 904 O1 1HF A 103 -9.145 1.631 37.023 1.00 0.00 O HETATM 905 N3 1HF A 103 -8.242 0.513 35.322 1.00 0.00 N HETATM 906 O2 1HF A 103 -9.001 4.863 32.830 1.00 0.00 O HETATM 907 C14 1HF A 103 -9.780 6.957 33.346 1.00 0.00 C HETATM 908 C15 1HF A 103 -9.897 6.141 34.508 1.00 0.00 C HETATM 909 S1 1HF A 103 -4.324 -4.857 34.847 1.00 0.00 S HETATM 910 O3 1HF A 103 -3.545 -6.073 34.562 1.00 0.00 O HETATM 911 O4 1HF A 103 -3.724 -3.993 35.877 1.00 0.00 O HETATM 912 O5 1HF A 103 -5.761 -5.082 35.073 1.00 0.00 O HETATM 0 H9 1HF A 103 -9.723 4.129 36.031 1.00 0.00 H new HETATM 0 H8 1HF A 103 -8.133 -0.333 35.882 1.00 0.00 H new HETATM 0 H7 1HF A 103 -2.460 -3.566 30.442 1.00 0.00 H new HETATM 0 H6 1HF A 103 -2.551 -4.941 32.532 1.00 0.00 H new HETATM 0 H4 1HF A 103 -5.930 -2.624 33.928 1.00 0.00 H new HETATM 0 H2 1HF A 103 -3.728 -4.460 36.739 1.00 0.00 H new HETATM 0 H12 1HF A 103 -9.013 6.478 31.377 1.00 0.00 H new HETATM 0 H11 1HF A 103 -10.062 8.005 33.241 1.00 0.00 H new HETATM 0 H10 1HF A 103 -10.289 6.431 35.483 1.00 0.00 H new HETATM 0 H1 1HF A 103 -3.600 -1.379 29.231 1.00 0.00 H new HETATM 922 C9 1HF A 104 -12.550 2.846 34.936 1.00 0.00 C HETATM 923 C10 1HF A 104 -12.226 1.846 35.824 1.00 0.00 C HETATM 924 C13 1HF A 104 -12.480 -1.433 34.723 1.00 0.00 C HETATM 925 C6 1HF A 104 -13.912 4.199 29.571 1.00 0.00 C HETATM 926 C4 1HF A 104 -14.058 6.781 29.595 1.00 0.00 C HETATM 927 C3 1HF A 104 -14.171 7.889 28.752 1.00 0.00 C HETATM 928 N1 1HF A 104 -13.657 4.771 31.893 1.00 0.00 N HETATM 929 C2 1HF A 104 -14.094 7.740 27.357 1.00 0.00 C HETATM 930 C 1HF A 104 -13.951 5.381 27.642 1.00 0.00 C HETATM 931 C1 1HF A 104 -13.935 6.471 26.790 1.00 0.00 C HETATM 932 C5 1HF A 104 -13.962 5.523 29.007 1.00 0.00 C HETATM 933 N 1HF A 104 -13.861 3.786 30.795 1.00 0.00 N HETATM 934 C7 1HF A 104 -13.245 4.214 32.973 1.00 0.00 C HETATM 935 C8 1HF A 104 -13.963 3.237 28.439 1.00 0.00 C HETATM 936 O 1HF A 104 -14.023 2.019 28.426 1.00 0.00 O HETATM 937 N2 1HF A 104 -13.966 4.005 27.335 1.00 0.00 N HETATM 938 S 1HF A 104 -12.878 2.527 33.261 1.00 0.00 S HETATM 939 C11 1HF A 104 -12.181 0.518 35.591 1.00 0.00 C HETATM 940 C12 1HF A 104 -12.700 4.261 35.245 1.00 0.00 C HETATM 941 O1 1HF A 104 -12.591 4.823 36.315 1.00 0.00 O HETATM 942 N3 1HF A 104 -13.057 4.898 34.142 1.00 0.00 N HETATM 943 O2 1HF A 104 -12.494 -0.098 34.404 1.00 0.00 O HETATM 944 C14 1HF A 104 -12.125 -1.661 36.026 1.00 0.00 C HETATM 945 C15 1HF A 104 -11.931 -0.369 36.602 1.00 0.00 C HETATM 946 S1 1HF A 104 -14.484 9.479 29.508 1.00 0.00 S HETATM 947 O3 1HF A 104 -15.668 9.211 30.342 1.00 0.00 O HETATM 948 O4 1HF A 104 -13.272 9.731 30.304 1.00 0.00 O HETATM 949 O5 1HF A 104 -14.693 10.432 28.405 1.00 0.00 O HETATM 0 H9 1HF A 104 -11.976 2.165 36.836 1.00 0.00 H new HETATM 0 H8 1HF A 104 -13.193 5.909 34.164 1.00 0.00 H new HETATM 0 H7 1HF A 104 -13.803 6.345 25.715 1.00 0.00 H new HETATM 0 H6 1HF A 104 -14.158 8.617 26.713 1.00 0.00 H new HETATM 0 H4 1HF A 104 -14.045 6.898 30.679 1.00 0.00 H new HETATM 0 H2 1HF A 104 -13.354 10.594 30.760 1.00 0.00 H new HETATM 0 H12 1HF A 104 -12.725 -2.226 34.016 1.00 0.00 H new HETATM 0 H11 1HF A 104 -12.014 -2.626 36.520 1.00 0.00 H new HETATM 0 H10 1HF A 104 -11.645 -0.139 37.628 1.00 0.00 H new HETATM 0 H1 1HF A 104 -13.978 3.635 26.385 1.00 0.00 H new