USER MOD reduce.3.24.130724 H: found=0, std=0, add=445, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 445 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 NoAdj-H: A 23 HIS HE2 : A 23 HIS NE2 : A 56 ZNZN :(H bumps) USER MOD NoAdj-H: A 44 HIS HE2 : A 44 HIS NE2 : A 57 ZNZN :(H bumps) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= -0.0641 X(o=-0.064,f=-0.37) USER MOD Single : A 5 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 ASN : amide:sc= -0.0106 K(o=-0.011,f=-0.51) USER MOD Single : A 9 GLN : amide:sc= -0.589 X(o=-0.59,f=-0.1) USER MOD Single : A 11 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.024) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= -0.282 X(o=-0.28,f=-0.006) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -0.252 K(o=-0.25,f=-2.1!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 174:sc= 0.165 (180deg=0.152) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= -0.0134 K(o=-0.013,f=-1.9!) USER MOD Single : A 46 MET CE :methyl 150:sc= -0.438 (180deg=-1.83!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot -41:sc= 0.854 USER MOD Single : A 53 GLN : amide:sc= -0.57 X(o=-0.57,f=-0.15) USER MOD Single : A 55 ASN : amide:sc= -0.14 K(o=-0.14,f=-1.7) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.382 -36.346 6.911 1.00 0.00 N ATOM 2 CA MET A 1 -3.271 -37.216 7.701 1.00 0.00 C ATOM 3 C MET A 1 -4.021 -38.164 6.779 1.00 0.00 C ATOM 4 O MET A 1 -5.195 -37.958 6.470 1.00 0.00 O ATOM 5 CB MET A 1 -4.210 -36.375 8.559 1.00 0.00 C ATOM 6 CG MET A 1 -4.243 -36.845 9.981 1.00 0.00 C ATOM 7 SD MET A 1 -5.304 -38.325 10.110 1.00 0.00 S ATOM 8 CE MET A 1 -6.901 -37.540 10.394 1.00 0.00 C ATOM 0 H1 MET A 1 -1.872 -35.701 7.548 1.00 0.00 H new ATOM 0 H2 MET A 1 -1.697 -36.931 6.390 1.00 0.00 H new ATOM 0 H3 MET A 1 -2.948 -35.792 6.237 1.00 0.00 H new ATOM 0 HA MET A 1 -2.677 -37.825 8.382 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.893 -35.333 8.529 1.00 0.00 H new ATOM 0 HB3 MET A 1 -5.216 -36.414 8.141 1.00 0.00 H new ATOM 0 HG2 MET A 1 -3.234 -37.077 10.322 1.00 0.00 H new ATOM 0 HG3 MET A 1 -4.624 -36.054 10.628 1.00 0.00 H new ATOM 0 HE1 MET A 1 -7.670 -38.306 10.497 1.00 0.00 H new ATOM 0 HE2 MET A 1 -6.857 -36.945 11.307 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.144 -36.893 9.551 1.00 0.00 H new ATOM 20 N GLN A 2 -3.288 -39.130 6.231 1.00 0.00 N ATOM 21 CA GLN A 2 -3.824 -39.992 5.186 1.00 0.00 C ATOM 22 C GLN A 2 -4.198 -39.172 3.959 1.00 0.00 C ATOM 23 O GLN A 2 -5.359 -38.833 3.743 1.00 0.00 O ATOM 24 CB GLN A 2 -5.008 -40.836 5.668 1.00 0.00 C ATOM 25 CG GLN A 2 -5.445 -41.897 4.677 1.00 0.00 C ATOM 26 CD GLN A 2 -6.933 -41.892 4.423 1.00 0.00 C ATOM 27 OE1 GLN A 2 -7.573 -40.849 4.325 1.00 0.00 O ATOM 28 NE2 GLN A 2 -7.482 -43.094 4.257 1.00 0.00 N ATOM 0 H GLN A 2 -2.324 -39.334 6.494 1.00 0.00 H new ATOM 0 HA GLN A 2 -3.036 -40.694 4.912 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -4.740 -41.318 6.608 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -5.851 -40.177 5.877 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -4.921 -41.743 3.734 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -5.149 -42.878 5.050 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -6.909 -43.933 4.348 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -8.475 -43.175 4.039 1.00 0.00 H new ATOM 37 N ARG A 3 -3.170 -38.735 3.233 1.00 0.00 N ATOM 38 CA ARG A 3 -3.380 -37.995 1.996 1.00 0.00 C ATOM 39 C ARG A 3 -4.115 -36.689 2.277 1.00 0.00 C ATOM 40 O ARG A 3 -4.739 -36.110 1.386 1.00 0.00 O ATOM 41 CB ARG A 3 -4.163 -38.821 0.967 1.00 0.00 C ATOM 42 CG ARG A 3 -3.871 -38.468 -0.484 1.00 0.00 C ATOM 43 CD ARG A 3 -4.570 -39.388 -1.427 1.00 0.00 C ATOM 44 NE ARG A 3 -4.083 -40.756 -1.320 1.00 0.00 N ATOM 45 CZ ARG A 3 -4.722 -41.803 -1.846 1.00 0.00 C ATOM 46 NH1 ARG A 3 -5.953 -41.692 -2.336 1.00 0.00 N ATOM 47 NH2 ARG A 3 -4.133 -42.999 -1.831 1.00 0.00 N ATOM 0 H ARG A 3 -2.191 -38.881 3.480 1.00 0.00 H new ATOM 0 HA ARG A 3 -2.398 -37.775 1.576 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -3.940 -39.877 1.122 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -5.229 -38.690 1.151 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -4.183 -37.442 -0.679 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -2.796 -38.514 -0.660 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -5.641 -39.368 -1.225 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -4.432 -39.033 -2.448 1.00 0.00 H new ATOM 0 HE ARG A 3 -3.211 -40.922 -0.818 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -6.431 -40.791 -2.315 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -6.419 -42.508 -2.733 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -3.205 -43.105 -1.421 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -4.610 -43.808 -2.230 1.00 0.00 H new ATOM 61 N GLY A 4 -3.857 -36.132 3.457 1.00 0.00 N ATOM 62 CA GLY A 4 -4.311 -34.787 3.781 1.00 0.00 C ATOM 63 C GLY A 4 -3.335 -33.750 3.236 1.00 0.00 C ATOM 64 O GLY A 4 -2.128 -33.834 3.466 1.00 0.00 O ATOM 0 H GLY A 4 -3.336 -36.593 4.203 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -5.302 -34.620 3.359 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -4.402 -34.678 4.862 1.00 0.00 H new ATOM 68 N ASN A 5 -3.844 -32.899 2.349 1.00 0.00 N ATOM 69 CA ASN A 5 -2.994 -31.996 1.584 1.00 0.00 C ATOM 70 C ASN A 5 -2.949 -30.622 2.245 1.00 0.00 C ATOM 71 O ASN A 5 -3.482 -30.429 3.338 1.00 0.00 O ATOM 72 CB ASN A 5 -3.386 -31.969 0.109 1.00 0.00 C ATOM 73 CG ASN A 5 -2.301 -32.498 -0.810 1.00 0.00 C ATOM 74 OD1 ASN A 5 -1.710 -31.741 -1.595 1.00 0.00 O ATOM 75 ND2 ASN A 5 -2.036 -33.801 -0.722 1.00 0.00 N ATOM 0 H ASN A 5 -4.840 -32.817 2.144 1.00 0.00 H new ATOM 0 HA ASN A 5 -1.971 -32.373 1.594 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -4.291 -32.561 -0.030 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -3.627 -30.945 -0.177 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -1.319 -34.217 -1.317 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -2.550 -34.382 -0.060 1.00 0.00 H new ATOM 82 N PHE A 6 -2.500 -29.635 1.475 1.00 0.00 N ATOM 83 CA PHE A 6 -2.609 -28.240 1.884 1.00 0.00 C ATOM 84 C PHE A 6 -4.019 -27.720 1.626 1.00 0.00 C ATOM 85 O PHE A 6 -4.911 -28.476 1.238 1.00 0.00 O ATOM 86 CB PHE A 6 -1.591 -27.307 1.178 1.00 0.00 C ATOM 87 CG PHE A 6 -0.176 -27.583 1.598 1.00 0.00 C ATOM 88 CD1 PHE A 6 0.621 -28.564 1.008 1.00 0.00 C ATOM 89 CD2 PHE A 6 0.362 -26.776 2.604 1.00 0.00 C ATOM 90 CE1 PHE A 6 1.925 -28.787 1.460 1.00 0.00 C ATOM 91 CE2 PHE A 6 1.652 -26.980 3.067 1.00 0.00 C ATOM 92 CZ PHE A 6 2.423 -28.007 2.518 1.00 0.00 C ATOM 0 H PHE A 6 -2.058 -29.776 0.566 1.00 0.00 H new ATOM 0 HA PHE A 6 -2.381 -28.223 2.950 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -1.677 -27.430 0.098 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -1.838 -26.269 1.401 1.00 0.00 H new ATOM 0 HD1 PHE A 6 0.227 -29.156 0.195 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -0.236 -25.982 3.027 1.00 0.00 H new ATOM 0 HE1 PHE A 6 2.541 -29.547 1.003 1.00 0.00 H new ATOM 0 HE2 PHE A 6 2.058 -26.351 3.845 1.00 0.00 H new ATOM 0 HZ PHE A 6 3.410 -28.204 2.910 1.00 0.00 H new ATOM 102 N ARG A 7 -4.254 -26.480 2.046 1.00 0.00 N ATOM 103 CA ARG A 7 -5.602 -25.926 2.067 1.00 0.00 C ATOM 104 C ARG A 7 -5.714 -24.765 1.085 1.00 0.00 C ATOM 105 O ARG A 7 -6.812 -24.385 0.677 1.00 0.00 O ATOM 106 CB ARG A 7 -5.999 -25.457 3.474 1.00 0.00 C ATOM 107 CG ARG A 7 -7.471 -25.644 3.811 1.00 0.00 C ATOM 108 CD ARG A 7 -8.181 -24.338 3.927 1.00 0.00 C ATOM 109 NE ARG A 7 -9.313 -24.408 4.839 1.00 0.00 N ATOM 110 CZ ARG A 7 -10.442 -25.061 4.555 1.00 0.00 C ATOM 111 NH1 ARG A 7 -10.687 -25.527 3.334 1.00 0.00 N ATOM 112 NH2 ARG A 7 -11.369 -25.201 5.503 1.00 0.00 N ATOM 0 H ARG A 7 -3.530 -25.842 2.375 1.00 0.00 H new ATOM 0 HA ARG A 7 -6.287 -26.720 1.769 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -5.400 -25.999 4.206 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -5.748 -24.401 3.575 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -7.947 -26.249 3.040 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -7.563 -26.193 4.748 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -7.483 -23.576 4.274 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -8.529 -24.026 2.942 1.00 0.00 H new ATOM 0 HE ARG A 7 -9.240 -23.935 5.740 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -10.004 -25.389 2.589 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -11.558 -26.023 3.143 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -11.211 -24.811 6.432 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -12.236 -25.698 5.299 1.00 0.00 H new ATOM 126 N ASN A 8 -4.590 -24.084 0.878 1.00 0.00 N ATOM 127 CA ASN A 8 -4.585 -22.830 0.136 1.00 0.00 C ATOM 128 C ASN A 8 -3.421 -22.803 -0.851 1.00 0.00 C ATOM 129 O ASN A 8 -3.631 -22.736 -2.066 1.00 0.00 O ATOM 130 CB ASN A 8 -4.642 -21.623 1.069 1.00 0.00 C ATOM 131 CG ASN A 8 -5.990 -21.449 1.743 1.00 0.00 C ATOM 132 OD1 ASN A 8 -6.191 -21.895 2.882 1.00 0.00 O ATOM 133 ND2 ASN A 8 -6.913 -20.779 1.053 1.00 0.00 N ATOM 0 H ASN A 8 -3.673 -24.380 1.214 1.00 0.00 H new ATOM 0 HA ASN A 8 -5.495 -22.764 -0.461 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -3.872 -21.727 1.833 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -4.408 -20.722 0.501 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -7.834 -20.613 1.460 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -6.699 -20.432 0.118 1.00 0.00 H new ATOM 140 N GLN A 9 -2.244 -22.463 -0.321 1.00 0.00 N ATOM 141 CA GLN A 9 -1.037 -22.408 -1.129 1.00 0.00 C ATOM 142 C GLN A 9 -1.178 -21.404 -2.263 1.00 0.00 C ATOM 143 O GLN A 9 -2.120 -20.613 -2.305 1.00 0.00 O ATOM 144 CB GLN A 9 -0.587 -23.777 -1.637 1.00 0.00 C ATOM 145 CG GLN A 9 -1.449 -24.351 -2.743 1.00 0.00 C ATOM 146 CD GLN A 9 -0.843 -25.570 -3.395 1.00 0.00 C ATOM 147 OE1 GLN A 9 -0.885 -25.745 -4.610 1.00 0.00 O ATOM 148 NE2 GLN A 9 -0.192 -26.387 -2.571 1.00 0.00 N ATOM 0 H GLN A 9 -2.107 -22.224 0.661 1.00 0.00 H new ATOM 0 HA GLN A 9 -0.242 -22.062 -0.469 1.00 0.00 H new ATOM 0 HB2 GLN A 9 0.439 -23.698 -1.997 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -0.578 -24.476 -0.801 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -2.426 -24.612 -2.336 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -1.614 -23.585 -3.501 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -0.185 -26.201 -1.568 1.00 0.00 H new ATOM 0 HE22 GLN A 9 0.300 -27.200 -2.942 1.00 0.00 H new ATOM 157 N ARG A 10 -0.186 -21.393 -3.151 1.00 0.00 N ATOM 158 CA ARG A 10 -0.059 -20.323 -4.134 1.00 0.00 C ATOM 159 C ARG A 10 0.223 -18.995 -3.438 1.00 0.00 C ATOM 160 O ARG A 10 -0.395 -18.672 -2.422 1.00 0.00 O ATOM 161 CB ARG A 10 -1.314 -20.198 -5.006 1.00 0.00 C ATOM 162 CG ARG A 10 -1.072 -19.602 -6.385 1.00 0.00 C ATOM 163 CD ARG A 10 -0.022 -20.353 -7.133 1.00 0.00 C ATOM 164 NE ARG A 10 -0.188 -21.794 -7.012 1.00 0.00 N ATOM 165 CZ ARG A 10 0.838 -22.643 -6.922 1.00 0.00 C ATOM 166 NH1 ARG A 10 2.088 -22.248 -7.141 1.00 0.00 N ATOM 167 NH2 ARG A 10 0.598 -23.929 -6.662 1.00 0.00 N ATOM 0 H ARG A 10 0.537 -22.110 -3.209 1.00 0.00 H new ATOM 0 HA ARG A 10 0.777 -20.576 -4.786 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -1.757 -21.187 -5.125 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -2.045 -19.582 -4.482 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -2.002 -19.612 -6.954 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -0.771 -18.559 -6.283 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -0.056 -20.072 -8.186 1.00 0.00 H new ATOM 0 HD3 ARG A 10 0.962 -20.069 -6.759 1.00 0.00 H new ATOM 0 HE ARG A 10 -1.135 -22.174 -6.995 1.00 0.00 H new ATOM 0 HH11 ARG A 10 2.281 -21.276 -7.384 1.00 0.00 H new ATOM 0 HH12 ARG A 10 2.855 -22.917 -7.066 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -0.361 -24.253 -6.535 1.00 0.00 H new ATOM 0 HH22 ARG A 10 1.373 -24.588 -6.591 1.00 0.00 H new ATOM 181 N LYS A 11 1.311 -18.352 -3.855 1.00 0.00 N ATOM 182 CA LYS A 11 1.874 -17.238 -3.101 1.00 0.00 C ATOM 183 C LYS A 11 2.257 -16.100 -4.040 1.00 0.00 C ATOM 184 O LYS A 11 1.749 -16.003 -5.158 1.00 0.00 O ATOM 185 CB LYS A 11 3.107 -17.662 -2.300 1.00 0.00 C ATOM 186 CG LYS A 11 3.188 -17.034 -0.908 1.00 0.00 C ATOM 187 CD LYS A 11 2.636 -17.930 0.183 1.00 0.00 C ATOM 188 CE LYS A 11 1.237 -17.653 0.562 1.00 0.00 C ATOM 189 NZ LYS A 11 1.112 -16.416 1.344 1.00 0.00 N ATOM 0 H LYS A 11 1.818 -18.583 -4.709 1.00 0.00 H new ATOM 0 HA LYS A 11 1.107 -16.901 -2.404 1.00 0.00 H new ATOM 0 HB2 LYS A 11 3.107 -18.747 -2.199 1.00 0.00 H new ATOM 0 HB3 LYS A 11 4.002 -17.394 -2.861 1.00 0.00 H new ATOM 0 HG2 LYS A 11 4.228 -16.797 -0.683 1.00 0.00 H new ATOM 0 HG3 LYS A 11 2.639 -16.092 -0.909 1.00 0.00 H new ATOM 0 HD2 LYS A 11 2.710 -18.967 -0.145 1.00 0.00 H new ATOM 0 HD3 LYS A 11 3.264 -17.830 1.068 1.00 0.00 H new ATOM 0 HE2 LYS A 11 0.626 -17.576 -0.338 1.00 0.00 H new ATOM 0 HE3 LYS A 11 0.846 -18.489 1.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 0.145 -16.338 1.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 1.788 -16.435 2.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 1.315 -15.598 0.735 1.00 0.00 H new ATOM 203 N ILE A 12 2.896 -15.084 -3.455 1.00 0.00 N ATOM 204 CA ILE A 12 3.282 -13.900 -4.207 1.00 0.00 C ATOM 205 C ILE A 12 2.063 -13.205 -4.799 1.00 0.00 C ATOM 206 O ILE A 12 2.185 -12.335 -5.666 1.00 0.00 O ATOM 207 CB ILE A 12 4.333 -14.288 -5.319 1.00 0.00 C ATOM 208 CG1 ILE A 12 5.483 -15.097 -4.665 1.00 0.00 C ATOM 209 CG2 ILE A 12 4.853 -13.064 -6.100 1.00 0.00 C ATOM 210 CD1 ILE A 12 5.398 -16.626 -4.891 1.00 0.00 C ATOM 0 H ILE A 12 3.153 -15.062 -2.468 1.00 0.00 H new ATOM 0 HA ILE A 12 3.753 -13.189 -3.528 1.00 0.00 H new ATOM 0 HB ILE A 12 3.837 -14.910 -6.064 1.00 0.00 H new ATOM 0 HG12 ILE A 12 6.434 -14.736 -5.058 1.00 0.00 H new ATOM 0 HG13 ILE A 12 5.486 -14.900 -3.593 1.00 0.00 H new ATOM 0 HG21 ILE A 12 5.572 -13.390 -6.851 1.00 0.00 H new ATOM 0 HG22 ILE A 12 4.018 -12.564 -6.590 1.00 0.00 H new ATOM 0 HG23 ILE A 12 5.337 -12.372 -5.411 1.00 0.00 H new ATOM 0 HD11 ILE A 12 6.240 -17.114 -4.400 1.00 0.00 H new ATOM 0 HD12 ILE A 12 4.465 -17.004 -4.472 1.00 0.00 H new ATOM 0 HD13 ILE A 12 5.428 -16.838 -5.960 1.00 0.00 H new ATOM 222 N ILE A 13 0.950 -13.319 -4.063 1.00 0.00 N ATOM 223 CA ILE A 13 -0.317 -12.771 -4.557 1.00 0.00 C ATOM 224 C ILE A 13 -0.698 -11.530 -3.770 1.00 0.00 C ATOM 225 O ILE A 13 0.043 -11.082 -2.891 1.00 0.00 O ATOM 226 CB ILE A 13 -1.422 -13.900 -4.452 1.00 0.00 C ATOM 227 CG1 ILE A 13 -1.532 -14.357 -2.974 1.00 0.00 C ATOM 228 CG2 ILE A 13 -1.149 -15.079 -5.409 1.00 0.00 C ATOM 229 CD1 ILE A 13 -2.839 -15.112 -2.634 1.00 0.00 C ATOM 0 H ILE A 13 0.900 -13.772 -3.150 1.00 0.00 H new ATOM 0 HA ILE A 13 -0.221 -12.466 -5.599 1.00 0.00 H new ATOM 0 HB ILE A 13 -2.380 -13.488 -4.769 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -0.684 -15.001 -2.741 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -1.454 -13.482 -2.329 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -1.935 -15.826 -5.299 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -1.134 -14.717 -6.437 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -0.185 -15.528 -5.168 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -2.833 -15.395 -1.581 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -3.694 -14.466 -2.831 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -2.912 -16.008 -3.250 1.00 0.00 H new ATOM 241 N LYS A 14 -1.710 -10.820 -4.263 1.00 0.00 N ATOM 242 CA LYS A 14 -2.220 -9.630 -3.620 1.00 0.00 C ATOM 243 C LYS A 14 -1.137 -8.596 -3.360 1.00 0.00 C ATOM 244 O LYS A 14 -0.481 -8.602 -2.316 1.00 0.00 O ATOM 245 CB LYS A 14 -2.987 -9.915 -2.333 1.00 0.00 C ATOM 246 CG LYS A 14 -2.244 -10.772 -1.314 1.00 0.00 C ATOM 247 CD LYS A 14 -3.014 -10.971 -0.021 1.00 0.00 C ATOM 248 CE LYS A 14 -4.386 -11.482 -0.192 1.00 0.00 C ATOM 249 NZ LYS A 14 -4.717 -12.516 0.797 1.00 0.00 N ATOM 0 H LYS A 14 -2.197 -11.063 -5.126 1.00 0.00 H new ATOM 0 HA LYS A 14 -2.928 -9.215 -4.338 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -3.247 -8.965 -1.865 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -3.923 -10.411 -2.589 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -2.031 -11.746 -1.755 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -1.284 -10.307 -1.089 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -2.460 -11.663 0.613 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -3.059 -10.020 0.509 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -5.093 -10.657 -0.104 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -4.497 -11.892 -1.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -5.690 -12.847 0.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -4.059 -13.315 0.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -4.636 -12.119 1.755 1.00 0.00 H new ATOM 263 N CYS A 15 -1.071 -7.611 -4.250 1.00 0.00 N ATOM 264 CA CYS A 15 -0.160 -6.482 -4.071 1.00 0.00 C ATOM 265 C CYS A 15 -0.522 -5.713 -2.807 1.00 0.00 C ATOM 266 O CYS A 15 -1.578 -5.083 -2.720 1.00 0.00 O ATOM 267 CB CYS A 15 -0.181 -5.593 -5.312 1.00 0.00 C ATOM 268 SG CYS A 15 1.100 -4.324 -5.378 1.00 0.00 S ATOM 0 H CYS A 15 -1.634 -7.570 -5.099 1.00 0.00 H new ATOM 0 HA CYS A 15 0.859 -6.849 -3.948 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -0.086 -6.227 -6.194 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -1.154 -5.106 -5.373 1.00 0.00 H new ATOM 273 N PHE A 16 0.463 -5.587 -1.925 1.00 0.00 N ATOM 274 CA PHE A 16 0.284 -4.863 -0.674 1.00 0.00 C ATOM 275 C PHE A 16 0.166 -3.364 -0.924 1.00 0.00 C ATOM 276 O PHE A 16 -0.135 -2.600 0.004 1.00 0.00 O ATOM 277 CB PHE A 16 1.442 -5.127 0.328 1.00 0.00 C ATOM 278 CG PHE A 16 1.252 -4.441 1.647 1.00 0.00 C ATOM 279 CD1 PHE A 16 0.339 -4.870 2.611 1.00 0.00 C ATOM 280 CD2 PHE A 16 2.015 -3.295 1.890 1.00 0.00 C ATOM 281 CE1 PHE A 16 0.237 -4.209 3.839 1.00 0.00 C ATOM 282 CE2 PHE A 16 1.930 -2.625 3.100 1.00 0.00 C ATOM 283 CZ PHE A 16 1.065 -3.101 4.088 1.00 0.00 C ATOM 0 H PHE A 16 1.396 -5.978 -2.055 1.00 0.00 H new ATOM 0 HA PHE A 16 -0.641 -5.233 -0.232 1.00 0.00 H new ATOM 0 HB2 PHE A 16 1.532 -6.201 0.494 1.00 0.00 H new ATOM 0 HB3 PHE A 16 2.380 -4.793 -0.115 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -0.295 -5.720 2.407 1.00 0.00 H new ATOM 0 HD2 PHE A 16 2.680 -2.926 1.123 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -0.468 -4.545 4.585 1.00 0.00 H new ATOM 0 HE2 PHE A 16 2.527 -1.743 3.277 1.00 0.00 H new ATOM 0 HZ PHE A 16 1.032 -2.614 5.051 1.00 0.00 H new ATOM 293 N ASN A 17 0.676 -2.921 -2.065 1.00 0.00 N ATOM 294 CA ASN A 17 1.095 -1.525 -2.233 1.00 0.00 C ATOM 295 C ASN A 17 -0.055 -0.704 -2.801 1.00 0.00 C ATOM 296 O ASN A 17 -0.487 0.282 -2.206 1.00 0.00 O ATOM 297 CB ASN A 17 2.380 -1.458 -3.061 1.00 0.00 C ATOM 298 CG ASN A 17 3.003 -0.078 -3.095 1.00 0.00 C ATOM 299 OD1 ASN A 17 3.900 0.232 -2.292 1.00 0.00 O ATOM 300 ND2 ASN A 17 2.392 0.822 -3.872 1.00 0.00 N ATOM 0 H ASN A 17 0.812 -3.503 -2.891 1.00 0.00 H new ATOM 0 HA ASN A 17 1.338 -1.080 -1.268 1.00 0.00 H new ATOM 0 HB2 ASN A 17 3.103 -2.165 -2.654 1.00 0.00 H new ATOM 0 HB3 ASN A 17 2.163 -1.776 -4.081 1.00 0.00 H new ATOM 0 HD21 ASN A 17 2.657 1.805 -3.819 1.00 0.00 H new ATOM 0 HD22 ASN A 17 1.660 0.525 -4.518 1.00 0.00 H new ATOM 307 N CYS A 18 -0.647 -1.219 -3.879 1.00 0.00 N ATOM 308 CA CYS A 18 -1.908 -0.682 -4.375 1.00 0.00 C ATOM 309 C CYS A 18 -3.085 -1.399 -3.727 1.00 0.00 C ATOM 310 O CYS A 18 -4.214 -0.910 -3.739 1.00 0.00 O ATOM 311 CB CYS A 18 -1.977 -0.714 -5.896 1.00 0.00 C ATOM 312 SG CYS A 18 -1.752 -2.342 -6.646 1.00 0.00 S ATOM 0 H CYS A 18 -0.275 -2.000 -4.419 1.00 0.00 H new ATOM 0 HA CYS A 18 -1.965 0.369 -4.090 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -2.944 -0.319 -6.208 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -1.216 -0.042 -6.292 1.00 0.00 H new ATOM 317 N GLY A 19 -2.848 -2.655 -3.353 1.00 0.00 N ATOM 318 CA GLY A 19 -3.888 -3.480 -2.758 1.00 0.00 C ATOM 319 C GLY A 19 -4.417 -4.487 -3.774 1.00 0.00 C ATOM 320 O GLY A 19 -4.990 -5.514 -3.408 1.00 0.00 O ATOM 0 H GLY A 19 -1.945 -3.120 -3.453 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -3.491 -4.005 -1.889 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -4.703 -2.849 -2.404 1.00 0.00 H new ATOM 324 N LYS A 20 -4.408 -4.076 -5.040 1.00 0.00 N ATOM 325 CA LYS A 20 -5.071 -4.835 -6.092 1.00 0.00 C ATOM 326 C LYS A 20 -4.363 -6.167 -6.313 1.00 0.00 C ATOM 327 O LYS A 20 -3.316 -6.433 -5.722 1.00 0.00 O ATOM 328 CB LYS A 20 -5.106 -4.064 -7.413 1.00 0.00 C ATOM 329 CG LYS A 20 -6.389 -3.260 -7.628 1.00 0.00 C ATOM 330 CD LYS A 20 -7.309 -3.872 -8.667 1.00 0.00 C ATOM 331 CE LYS A 20 -7.855 -2.916 -9.648 1.00 0.00 C ATOM 332 NZ LYS A 20 -7.285 -3.112 -10.987 1.00 0.00 N ATOM 0 H LYS A 20 -3.949 -3.223 -5.360 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.096 -5.008 -5.765 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -4.254 -3.386 -7.449 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -4.988 -4.768 -8.237 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -6.923 -3.180 -6.681 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -6.129 -2.247 -7.934 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -6.764 -4.649 -9.202 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -8.139 -4.360 -8.155 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -8.938 -3.026 -9.696 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -7.652 -1.899 -9.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -7.697 -2.419 -11.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -6.254 -2.982 -10.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -7.500 -4.074 -11.319 1.00 0.00 H new ATOM 346 N GLU A 21 -5.053 -7.070 -7.005 1.00 0.00 N ATOM 347 CA GLU A 21 -4.592 -8.446 -7.133 1.00 0.00 C ATOM 348 C GLU A 21 -4.002 -8.681 -8.520 1.00 0.00 C ATOM 349 O GLU A 21 -4.660 -8.453 -9.535 1.00 0.00 O ATOM 350 CB GLU A 21 -5.797 -9.361 -6.879 1.00 0.00 C ATOM 351 CG GLU A 21 -6.818 -9.631 -7.826 1.00 0.00 C ATOM 352 CD GLU A 21 -7.804 -8.535 -8.103 1.00 0.00 C ATOM 353 OE1 GLU A 21 -7.643 -7.667 -8.943 1.00 0.00 O ATOM 354 OE2 GLU A 21 -8.848 -8.658 -7.427 1.00 0.00 O ATOM 0 H GLU A 21 -5.931 -6.872 -7.484 1.00 0.00 H new ATOM 0 HA GLU A 21 -3.804 -8.660 -6.411 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -5.385 -10.330 -6.596 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -6.300 -8.959 -6.000 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -6.342 -9.903 -8.768 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -7.372 -10.506 -7.485 1.00 0.00 H new ATOM 361 N GLY A 22 -2.826 -9.304 -8.543 1.00 0.00 N ATOM 362 CA GLY A 22 -2.269 -9.826 -9.786 1.00 0.00 C ATOM 363 C GLY A 22 -0.931 -9.160 -10.091 1.00 0.00 C ATOM 364 O GLY A 22 -0.417 -9.262 -11.207 1.00 0.00 O ATOM 0 H GLY A 22 -2.244 -9.459 -7.720 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -2.136 -10.905 -9.707 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -2.965 -9.650 -10.606 1.00 0.00 H new ATOM 368 N HIS A 23 -0.275 -8.681 -9.036 1.00 0.00 N ATOM 369 CA HIS A 23 1.141 -8.331 -9.116 1.00 0.00 C ATOM 370 C HIS A 23 1.688 -8.022 -7.729 1.00 0.00 C ATOM 371 O HIS A 23 0.989 -8.160 -6.725 1.00 0.00 O ATOM 372 CB HIS A 23 1.433 -7.146 -10.067 1.00 0.00 C ATOM 373 CG HIS A 23 0.813 -5.858 -9.606 1.00 0.00 C ATOM 374 ND1 HIS A 23 -0.496 -5.513 -9.821 1.00 0.00 N ATOM 375 CD2 HIS A 23 1.304 -4.936 -8.736 1.00 0.00 C ATOM 376 CE1 HIS A 23 -0.784 -4.432 -9.111 1.00 0.00 C ATOM 377 NE2 HIS A 23 0.274 -4.092 -8.406 1.00 0.00 N ATOM 0 H HIS A 23 -0.698 -8.527 -8.121 1.00 0.00 H new ATOM 0 HA HIS A 23 1.644 -9.202 -9.535 1.00 0.00 H new ATOM 0 HB2 HIS A 23 2.511 -7.013 -10.153 1.00 0.00 H new ATOM 0 HB3 HIS A 23 1.061 -7.386 -11.063 1.00 0.00 H new ATOM 0 HD1 HIS A 23 -1.145 -6.010 -10.431 1.00 0.00 H new ATOM 0 HD2 HIS A 23 2.319 -4.878 -8.371 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -1.732 -3.915 -9.111 1.00 0.00 H new ATOM 385 N ILE A 24 2.993 -7.770 -7.673 1.00 0.00 N ATOM 386 CA ILE A 24 3.676 -7.570 -6.403 1.00 0.00 C ATOM 387 C ILE A 24 4.145 -6.127 -6.269 1.00 0.00 C ATOM 388 O ILE A 24 4.199 -5.375 -7.238 1.00 0.00 O ATOM 389 CB ILE A 24 4.870 -8.589 -6.258 1.00 0.00 C ATOM 390 CG1 ILE A 24 5.881 -8.354 -7.410 1.00 0.00 C ATOM 391 CG2 ILE A 24 4.397 -10.056 -6.187 1.00 0.00 C ATOM 392 CD1 ILE A 24 7.355 -8.235 -6.954 1.00 0.00 C ATOM 0 H ILE A 24 3.596 -7.700 -8.493 1.00 0.00 H new ATOM 0 HA ILE A 24 2.976 -7.762 -5.590 1.00 0.00 H new ATOM 0 HB ILE A 24 5.367 -8.405 -5.306 1.00 0.00 H new ATOM 0 HG12 ILE A 24 5.799 -9.175 -8.122 1.00 0.00 H new ATOM 0 HG13 ILE A 24 5.603 -7.443 -7.941 1.00 0.00 H new ATOM 0 HG21 ILE A 24 5.261 -10.713 -6.088 1.00 0.00 H new ATOM 0 HG22 ILE A 24 3.742 -10.186 -5.326 1.00 0.00 H new ATOM 0 HG23 ILE A 24 3.853 -10.307 -7.098 1.00 0.00 H new ATOM 0 HD11 ILE A 24 7.993 -8.072 -7.823 1.00 0.00 H new ATOM 0 HD12 ILE A 24 7.457 -7.395 -6.267 1.00 0.00 H new ATOM 0 HD13 ILE A 24 7.656 -9.154 -6.451 1.00 0.00 H new ATOM 404 N ALA A 25 4.537 -5.764 -5.050 1.00 0.00 N ATOM 405 CA ALA A 25 4.683 -4.339 -4.712 1.00 0.00 C ATOM 406 C ALA A 25 6.037 -3.827 -5.169 1.00 0.00 C ATOM 407 O ALA A 25 6.147 -2.715 -5.699 1.00 0.00 O ATOM 408 CB ALA A 25 4.512 -4.199 -3.195 1.00 0.00 C ATOM 0 H ALA A 25 4.756 -6.412 -4.294 1.00 0.00 H new ATOM 0 HA ALA A 25 3.927 -3.741 -5.221 1.00 0.00 H new ATOM 0 HB1 ALA A 25 4.615 -3.151 -2.912 1.00 0.00 H new ATOM 0 HB2 ALA A 25 3.524 -4.557 -2.906 1.00 0.00 H new ATOM 0 HB3 ALA A 25 5.275 -4.789 -2.687 1.00 0.00 H new ATOM 414 N LYS A 26 7.005 -4.740 -5.229 1.00 0.00 N ATOM 415 CA LYS A 26 8.296 -4.455 -5.837 1.00 0.00 C ATOM 416 C LYS A 26 8.127 -4.082 -7.306 1.00 0.00 C ATOM 417 O LYS A 26 9.044 -3.548 -7.932 1.00 0.00 O ATOM 418 CB LYS A 26 9.249 -5.648 -5.734 1.00 0.00 C ATOM 419 CG LYS A 26 10.715 -5.254 -5.545 1.00 0.00 C ATOM 420 CD LYS A 26 11.069 -4.948 -4.103 1.00 0.00 C ATOM 421 CE LYS A 26 12.277 -5.631 -3.605 1.00 0.00 C ATOM 422 NZ LYS A 26 12.227 -5.856 -2.155 1.00 0.00 N ATOM 0 H LYS A 26 6.915 -5.687 -4.861 1.00 0.00 H new ATOM 0 HA LYS A 26 8.726 -3.617 -5.289 1.00 0.00 H new ATOM 0 HB2 LYS A 26 8.941 -6.276 -4.898 1.00 0.00 H new ATOM 0 HB3 LYS A 26 9.159 -6.252 -6.637 1.00 0.00 H new ATOM 0 HG2 LYS A 26 11.351 -6.062 -5.905 1.00 0.00 H new ATOM 0 HG3 LYS A 26 10.932 -4.380 -6.159 1.00 0.00 H new ATOM 0 HD2 LYS A 26 11.208 -3.872 -3.998 1.00 0.00 H new ATOM 0 HD3 LYS A 26 10.226 -5.224 -3.470 1.00 0.00 H new ATOM 0 HE2 LYS A 26 12.389 -6.587 -4.116 1.00 0.00 H new ATOM 0 HE3 LYS A 26 13.156 -5.035 -3.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 13.096 -6.338 -1.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 12.147 -4.942 -1.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 11.403 -6.447 -1.924 1.00 0.00 H new ATOM 436 N ASN A 27 7.063 -4.613 -7.904 1.00 0.00 N ATOM 437 CA ASN A 27 6.837 -4.464 -9.333 1.00 0.00 C ATOM 438 C ASN A 27 5.683 -3.505 -9.597 1.00 0.00 C ATOM 439 O ASN A 27 4.950 -3.641 -10.575 1.00 0.00 O ATOM 440 CB ASN A 27 6.695 -5.819 -10.025 1.00 0.00 C ATOM 441 CG ASN A 27 6.909 -5.750 -11.526 1.00 0.00 C ATOM 442 OD1 ASN A 27 6.842 -4.668 -12.127 1.00 0.00 O ATOM 443 ND2 ASN A 27 7.129 -6.910 -12.145 1.00 0.00 N ATOM 0 H ASN A 27 6.345 -5.150 -7.418 1.00 0.00 H new ATOM 0 HA ASN A 27 7.718 -4.008 -9.785 1.00 0.00 H new ATOM 0 HB2 ASN A 27 7.413 -6.517 -9.594 1.00 0.00 H new ATOM 0 HB3 ASN A 27 5.701 -6.220 -9.824 1.00 0.00 H new ATOM 0 HD21 ASN A 27 7.251 -6.933 -13.157 1.00 0.00 H new ATOM 0 HD22 ASN A 27 7.176 -7.775 -11.606 1.00 0.00 H new ATOM 450 N CYS A 28 5.502 -2.563 -8.675 1.00 0.00 N ATOM 451 CA CYS A 28 4.287 -1.743 -8.669 1.00 0.00 C ATOM 452 C CYS A 28 4.603 -0.343 -9.175 1.00 0.00 C ATOM 453 O CYS A 28 5.537 0.309 -8.712 1.00 0.00 O ATOM 454 CB CYS A 28 3.680 -1.723 -7.266 1.00 0.00 C ATOM 455 SG CYS A 28 2.018 -1.029 -7.167 1.00 0.00 S ATOM 0 H CYS A 28 6.167 -2.348 -7.932 1.00 0.00 H new ATOM 0 HA CYS A 28 3.547 -2.176 -9.342 1.00 0.00 H new ATOM 0 HB2 CYS A 28 3.656 -2.743 -6.882 1.00 0.00 H new ATOM 0 HB3 CYS A 28 4.336 -1.151 -6.610 1.00 0.00 H new ATOM 460 N ARG A 29 3.955 0.016 -10.284 1.00 0.00 N ATOM 461 CA ARG A 29 4.155 1.326 -10.885 1.00 0.00 C ATOM 462 C ARG A 29 3.072 2.298 -10.429 1.00 0.00 C ATOM 463 O ARG A 29 2.859 3.346 -11.038 1.00 0.00 O ATOM 464 CB ARG A 29 4.169 1.250 -12.419 1.00 0.00 C ATOM 465 CG ARG A 29 4.775 2.464 -13.108 1.00 0.00 C ATOM 466 CD ARG A 29 3.725 3.340 -13.704 1.00 0.00 C ATOM 467 NE ARG A 29 3.953 4.747 -13.410 1.00 0.00 N ATOM 468 CZ ARG A 29 3.131 5.720 -13.808 1.00 0.00 C ATOM 469 NH1 ARG A 29 1.940 5.452 -14.334 1.00 0.00 N ATOM 470 NH2 ARG A 29 3.490 6.991 -13.623 1.00 0.00 N ATOM 0 H ARG A 29 3.292 -0.581 -10.778 1.00 0.00 H new ATOM 0 HA ARG A 29 5.128 1.688 -10.552 1.00 0.00 H new ATOM 0 HB2 ARG A 29 4.725 0.362 -12.721 1.00 0.00 H new ATOM 0 HB3 ARG A 29 3.146 1.121 -12.773 1.00 0.00 H new ATOM 0 HG2 ARG A 29 5.361 3.036 -12.389 1.00 0.00 H new ATOM 0 HG3 ARG A 29 5.461 2.135 -13.889 1.00 0.00 H new ATOM 0 HD2 ARG A 29 3.703 3.195 -14.784 1.00 0.00 H new ATOM 0 HD3 ARG A 29 2.748 3.044 -13.323 1.00 0.00 H new ATOM 0 HE ARG A 29 4.782 5.002 -12.873 1.00 0.00 H new ATOM 0 HH11 ARG A 29 1.636 4.484 -14.441 1.00 0.00 H new ATOM 0 HH12 ARG A 29 1.330 6.214 -14.630 1.00 0.00 H new ATOM 0 HH21 ARG A 29 4.383 7.210 -13.182 1.00 0.00 H new ATOM 0 HH22 ARG A 29 2.871 7.745 -13.923 1.00 0.00 H new ATOM 484 N ALA A 30 2.645 2.096 -9.181 1.00 0.00 N ATOM 485 CA ALA A 30 1.558 2.915 -8.629 1.00 0.00 C ATOM 486 C ALA A 30 2.110 4.232 -8.104 1.00 0.00 C ATOM 487 O ALA A 30 3.159 4.245 -7.451 1.00 0.00 O ATOM 488 CB ALA A 30 0.896 2.108 -7.502 1.00 0.00 C ATOM 0 H ALA A 30 3.022 1.392 -8.546 1.00 0.00 H new ATOM 0 HA ALA A 30 0.823 3.153 -9.398 1.00 0.00 H new ATOM 0 HB1 ALA A 30 0.082 2.689 -7.069 1.00 0.00 H new ATOM 0 HB2 ALA A 30 0.502 1.175 -7.905 1.00 0.00 H new ATOM 0 HB3 ALA A 30 1.634 1.887 -6.731 1.00 0.00 H new ATOM 494 N PRO A 31 1.307 5.313 -8.175 1.00 0.00 N ATOM 495 CA PRO A 31 1.480 6.415 -7.228 1.00 0.00 C ATOM 496 C PRO A 31 0.817 6.058 -5.909 1.00 0.00 C ATOM 497 O PRO A 31 -0.196 5.356 -5.873 1.00 0.00 O ATOM 498 CB PRO A 31 0.929 7.526 -8.114 1.00 0.00 C ATOM 499 CG PRO A 31 -0.117 6.857 -8.996 1.00 0.00 C ATOM 500 CD PRO A 31 0.074 5.373 -8.945 1.00 0.00 C ATOM 0 HA PRO A 31 2.461 6.693 -6.842 1.00 0.00 H new ATOM 0 HB2 PRO A 31 0.487 8.323 -7.516 1.00 0.00 H new ATOM 0 HB3 PRO A 31 1.718 7.978 -8.714 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -1.119 7.119 -8.655 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -0.026 7.213 -10.022 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -0.753 4.861 -8.452 1.00 0.00 H new ATOM 0 HD3 PRO A 31 0.177 4.930 -9.936 1.00 0.00 H new ATOM 508 N ARG A 32 1.296 6.683 -4.835 1.00 0.00 N ATOM 509 CA ARG A 32 0.613 6.625 -3.549 1.00 0.00 C ATOM 510 C ARG A 32 1.014 7.815 -2.683 1.00 0.00 C ATOM 511 O ARG A 32 2.181 8.210 -2.656 1.00 0.00 O ATOM 512 CB ARG A 32 0.913 5.317 -2.806 1.00 0.00 C ATOM 513 CG ARG A 32 2.395 5.013 -2.632 1.00 0.00 C ATOM 514 CD ARG A 32 2.922 5.559 -1.349 1.00 0.00 C ATOM 515 NE ARG A 32 2.616 4.695 -0.217 1.00 0.00 N ATOM 516 CZ ARG A 32 3.481 3.811 0.282 1.00 0.00 C ATOM 517 NH1 ARG A 32 4.613 3.513 -0.350 1.00 0.00 N ATOM 518 NH2 ARG A 32 3.178 3.169 1.411 1.00 0.00 N ATOM 0 H ARG A 32 2.154 7.234 -4.832 1.00 0.00 H new ATOM 0 HA ARG A 32 -0.459 6.663 -3.745 1.00 0.00 H new ATOM 0 HB2 ARG A 32 0.446 5.358 -1.822 1.00 0.00 H new ATOM 0 HB3 ARG A 32 0.447 4.493 -3.346 1.00 0.00 H new ATOM 0 HG2 ARG A 32 2.551 3.935 -2.660 1.00 0.00 H new ATOM 0 HG3 ARG A 32 2.954 5.438 -3.466 1.00 0.00 H new ATOM 0 HD2 ARG A 32 4.002 5.685 -1.426 1.00 0.00 H new ATOM 0 HD3 ARG A 32 2.497 6.548 -1.175 1.00 0.00 H new ATOM 0 HE ARG A 32 1.695 4.770 0.215 1.00 0.00 H new ATOM 0 HH11 ARG A 32 4.836 3.964 -1.237 1.00 0.00 H new ATOM 0 HH12 ARG A 32 5.258 2.833 0.053 1.00 0.00 H new ATOM 0 HH21 ARG A 32 2.293 3.356 1.883 1.00 0.00 H new ATOM 0 HH22 ARG A 32 3.831 2.491 1.803 1.00 0.00 H new ATOM 532 N LYS A 33 0.003 8.518 -2.179 1.00 0.00 N ATOM 533 CA LYS A 33 0.217 9.811 -1.541 1.00 0.00 C ATOM 534 C LYS A 33 -0.796 10.025 -0.421 1.00 0.00 C ATOM 535 O LYS A 33 -1.440 9.081 0.038 1.00 0.00 O ATOM 536 CB LYS A 33 0.105 10.963 -2.541 1.00 0.00 C ATOM 537 CG LYS A 33 -1.277 11.097 -3.181 1.00 0.00 C ATOM 538 CD LYS A 33 -1.508 12.452 -3.823 1.00 0.00 C ATOM 539 CE LYS A 33 -2.665 12.514 -4.736 1.00 0.00 C ATOM 540 NZ LYS A 33 -3.932 12.252 -4.040 1.00 0.00 N ATOM 0 H LYS A 33 -0.970 8.214 -2.201 1.00 0.00 H new ATOM 0 HA LYS A 33 1.228 9.804 -1.133 1.00 0.00 H new ATOM 0 HB2 LYS A 33 0.352 11.896 -2.034 1.00 0.00 H new ATOM 0 HB3 LYS A 33 0.846 10.822 -3.327 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -1.398 10.319 -3.935 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -2.040 10.927 -2.422 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -1.644 13.193 -3.035 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -0.612 12.735 -4.375 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -2.705 13.498 -5.203 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -2.534 11.786 -5.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -4.718 12.305 -4.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -3.905 11.303 -3.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -4.071 12.962 -3.293 1.00 0.00 H new ATOM 554 N ARG A 34 -0.764 11.225 0.153 1.00 0.00 N ATOM 555 CA ARG A 34 -1.496 11.500 1.383 1.00 0.00 C ATOM 556 C ARG A 34 -1.782 12.992 1.510 1.00 0.00 C ATOM 557 O ARG A 34 -1.078 13.824 0.938 1.00 0.00 O ATOM 558 CB ARG A 34 -0.728 11.011 2.619 1.00 0.00 C ATOM 559 CG ARG A 34 -1.426 11.276 3.945 1.00 0.00 C ATOM 560 CD ARG A 34 -1.763 10.011 4.658 1.00 0.00 C ATOM 561 NE ARG A 34 -3.144 9.992 5.118 1.00 0.00 N ATOM 562 CZ ARG A 34 -3.538 10.537 6.271 1.00 0.00 C ATOM 563 NH1 ARG A 34 -2.728 11.311 6.987 1.00 0.00 N ATOM 564 NH2 ARG A 34 -4.790 10.345 6.687 1.00 0.00 N ATOM 0 H ARG A 34 -0.240 12.020 -0.214 1.00 0.00 H new ATOM 0 HA ARG A 34 -2.438 10.955 1.331 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -0.555 9.939 2.522 1.00 0.00 H new ATOM 0 HB3 ARG A 34 0.250 11.491 2.636 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -0.784 11.889 4.577 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -2.338 11.847 3.768 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -1.591 9.164 3.994 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -1.096 9.887 5.511 1.00 0.00 H new ATOM 0 HE ARG A 34 -3.845 9.540 4.531 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -1.781 11.500 6.658 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -3.053 11.716 7.865 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -5.434 9.787 6.126 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -5.104 10.756 7.566 1.00 0.00 H new ATOM 578 N GLY A 35 -2.921 13.304 2.121 1.00 0.00 N ATOM 579 CA GLY A 35 -3.418 14.674 2.150 1.00 0.00 C ATOM 580 C GLY A 35 -2.922 15.393 3.399 1.00 0.00 C ATOM 581 O GLY A 35 -1.925 14.998 4.004 1.00 0.00 O ATOM 0 H GLY A 35 -3.515 12.628 2.601 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -3.085 15.207 1.259 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -4.508 14.673 2.132 1.00 0.00 H new ATOM 585 N CYS A 36 -3.502 16.564 3.650 1.00 0.00 N ATOM 586 CA CYS A 36 -2.991 17.463 4.676 1.00 0.00 C ATOM 587 C CYS A 36 -4.120 17.917 5.596 1.00 0.00 C ATOM 588 O CYS A 36 -4.906 18.798 5.241 1.00 0.00 O ATOM 589 CB CYS A 36 -2.265 18.655 4.052 1.00 0.00 C ATOM 590 SG CYS A 36 -1.193 19.557 5.196 1.00 0.00 S ATOM 0 H CYS A 36 -4.325 16.910 3.157 1.00 0.00 H new ATOM 0 HA CYS A 36 -2.263 16.919 5.278 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -1.665 18.302 3.213 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -3.005 19.344 3.646 1.00 0.00 H new ATOM 595 N TRP A 37 -3.969 17.574 6.877 1.00 0.00 N ATOM 596 CA TRP A 37 -4.963 17.944 7.875 1.00 0.00 C ATOM 597 C TRP A 37 -4.530 19.205 8.616 1.00 0.00 C ATOM 598 O TRP A 37 -5.056 19.524 9.683 1.00 0.00 O ATOM 599 CB TRP A 37 -5.256 16.781 8.825 1.00 0.00 C ATOM 600 CG TRP A 37 -6.677 16.659 9.249 1.00 0.00 C ATOM 601 CD1 TRP A 37 -7.774 16.484 8.451 1.00 0.00 C ATOM 602 CD2 TRP A 37 -7.171 16.697 10.598 1.00 0.00 C ATOM 603 NE1 TRP A 37 -8.912 16.388 9.217 1.00 0.00 N ATOM 604 CE2 TRP A 37 -8.571 16.517 10.533 1.00 0.00 C ATOM 605 CE3 TRP A 37 -6.557 16.855 11.836 1.00 0.00 C ATOM 606 CZ2 TRP A 37 -9.365 16.482 11.670 1.00 0.00 C ATOM 607 CZ3 TRP A 37 -7.347 16.822 12.967 1.00 0.00 C ATOM 608 CH2 TRP A 37 -8.725 16.636 12.890 1.00 0.00 C ATOM 0 H TRP A 37 -3.175 17.046 7.241 1.00 0.00 H new ATOM 0 HA TRP A 37 -5.900 18.171 7.366 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -4.956 15.852 8.341 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -4.635 16.892 9.714 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -7.750 16.429 7.373 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -9.857 16.244 8.860 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -5.489 17.000 11.910 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -10.434 16.341 11.608 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -6.885 16.943 13.936 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -9.307 16.611 13.799 1.00 0.00 H new ATOM 619 N LYS A 38 -3.805 20.056 7.892 1.00 0.00 N ATOM 620 CA LYS A 38 -3.395 21.349 8.422 1.00 0.00 C ATOM 621 C LYS A 38 -4.045 22.474 7.618 1.00 0.00 C ATOM 622 O LYS A 38 -5.034 23.065 8.052 1.00 0.00 O ATOM 623 CB LYS A 38 -1.873 21.522 8.358 1.00 0.00 C ATOM 624 CG LYS A 38 -1.374 22.841 8.941 1.00 0.00 C ATOM 625 CD LYS A 38 -1.291 23.958 7.917 1.00 0.00 C ATOM 626 CE LYS A 38 -1.597 25.301 8.445 1.00 0.00 C ATOM 627 NZ LYS A 38 -2.132 26.193 7.408 1.00 0.00 N ATOM 0 H LYS A 38 -3.491 19.871 6.939 1.00 0.00 H new ATOM 0 HA LYS A 38 -3.714 21.392 9.463 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -1.401 20.698 8.893 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -1.553 21.452 7.318 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -2.038 23.147 9.749 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -0.388 22.686 9.380 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -0.287 23.969 7.492 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -1.980 23.737 7.102 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -2.319 25.215 9.257 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -0.693 25.739 8.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -2.428 27.091 7.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -1.397 26.378 6.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -2.951 25.743 6.951 1.00 0.00 H new ATOM 641 N CYS A 39 -3.698 22.507 6.331 1.00 0.00 N ATOM 642 CA CYS A 39 -4.331 23.426 5.397 1.00 0.00 C ATOM 643 C CYS A 39 -5.652 22.858 4.897 1.00 0.00 C ATOM 644 O CYS A 39 -6.591 23.590 4.594 1.00 0.00 O ATOM 645 CB CYS A 39 -3.393 23.782 4.246 1.00 0.00 C ATOM 646 SG CYS A 39 -2.732 22.365 3.338 1.00 0.00 S ATOM 0 H CYS A 39 -2.984 21.908 5.917 1.00 0.00 H new ATOM 0 HA CYS A 39 -4.549 24.353 5.926 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -3.927 24.426 3.547 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -2.560 24.363 4.642 1.00 0.00 H new ATOM 651 N GLY A 40 -5.692 21.535 4.769 1.00 0.00 N ATOM 652 CA GLY A 40 -6.884 20.852 4.291 1.00 0.00 C ATOM 653 C GLY A 40 -6.624 20.208 2.934 1.00 0.00 C ATOM 654 O GLY A 40 -7.391 19.359 2.478 1.00 0.00 O ATOM 0 H GLY A 40 -4.911 20.917 4.990 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -7.186 20.090 5.010 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -7.709 21.560 4.212 1.00 0.00 H new ATOM 658 N LYS A 41 -5.662 20.774 2.211 1.00 0.00 N ATOM 659 CA LYS A 41 -5.435 20.407 0.820 1.00 0.00 C ATOM 660 C LYS A 41 -4.994 18.951 0.720 1.00 0.00 C ATOM 661 O LYS A 41 -4.603 18.337 1.713 1.00 0.00 O ATOM 662 CB LYS A 41 -4.376 21.294 0.162 1.00 0.00 C ATOM 663 CG LYS A 41 -4.320 21.164 -1.361 1.00 0.00 C ATOM 664 CD LYS A 41 -4.241 22.502 -2.071 1.00 0.00 C ATOM 665 CE LYS A 41 -3.147 23.379 -1.616 1.00 0.00 C ATOM 666 NZ LYS A 41 -2.313 23.846 -2.731 1.00 0.00 N ATOM 0 H LYS A 41 -5.028 21.489 2.567 1.00 0.00 H new ATOM 0 HA LYS A 41 -6.379 20.548 0.294 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -4.575 22.334 0.421 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -3.399 21.044 0.575 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -3.454 20.562 -1.636 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -5.204 20.628 -1.706 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -4.124 22.324 -3.140 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -5.188 23.025 -1.936 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -3.566 24.238 -1.092 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -2.526 22.841 -0.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -1.557 24.459 -2.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -1.892 23.028 -3.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -2.899 24.382 -3.402 1.00 0.00 H new ATOM 680 N GLU A 42 -5.240 18.360 -0.446 1.00 0.00 N ATOM 681 CA GLU A 42 -5.072 16.923 -0.622 1.00 0.00 C ATOM 682 C GLU A 42 -3.809 16.630 -1.424 1.00 0.00 C ATOM 683 O GLU A 42 -3.758 15.676 -2.200 1.00 0.00 O ATOM 684 CB GLU A 42 -6.323 16.398 -1.339 1.00 0.00 C ATOM 685 CG GLU A 42 -7.009 17.088 -2.371 1.00 0.00 C ATOM 686 CD GLU A 42 -8.225 16.425 -2.947 1.00 0.00 C ATOM 687 OE1 GLU A 42 -9.122 15.941 -2.279 1.00 0.00 O ATOM 688 OE2 GLU A 42 -8.241 16.470 -4.196 1.00 0.00 O ATOM 0 H GLU A 42 -5.556 18.854 -1.281 1.00 0.00 H new ATOM 0 HA GLU A 42 -4.959 16.425 0.341 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -6.047 15.429 -1.756 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -7.061 16.211 -0.559 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -7.306 18.063 -1.986 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -6.305 17.267 -3.184 1.00 0.00 H new ATOM 695 N GLY A 43 -2.865 17.565 -1.363 1.00 0.00 N ATOM 696 CA GLY A 43 -1.694 17.522 -2.229 1.00 0.00 C ATOM 697 C GLY A 43 -0.477 17.028 -1.455 1.00 0.00 C ATOM 698 O GLY A 43 0.255 16.153 -1.919 1.00 0.00 O ATOM 0 H GLY A 43 -2.889 18.360 -0.724 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -1.885 16.864 -3.077 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -1.497 18.515 -2.634 1.00 0.00 H new ATOM 702 N HIS A 44 -0.161 17.739 -0.376 1.00 0.00 N ATOM 703 CA HIS A 44 1.096 17.530 0.331 1.00 0.00 C ATOM 704 C HIS A 44 0.838 16.944 1.713 1.00 0.00 C ATOM 705 O HIS A 44 -0.303 16.835 2.158 1.00 0.00 O ATOM 706 CB HIS A 44 1.942 18.822 0.480 1.00 0.00 C ATOM 707 CG HIS A 44 1.203 19.915 1.187 1.00 0.00 C ATOM 708 ND1 HIS A 44 0.867 21.116 0.616 1.00 0.00 N ATOM 709 CD2 HIS A 44 0.707 19.948 2.450 1.00 0.00 C ATOM 710 CE1 HIS A 44 0.188 21.838 1.495 1.00 0.00 C ATOM 711 NE2 HIS A 44 0.087 21.158 2.615 1.00 0.00 N ATOM 0 H HIS A 44 -0.757 18.463 0.026 1.00 0.00 H new ATOM 0 HA HIS A 44 1.670 16.833 -0.280 1.00 0.00 H new ATOM 0 HB2 HIS A 44 2.856 18.592 1.028 1.00 0.00 H new ATOM 0 HB3 HIS A 44 2.242 19.171 -0.508 1.00 0.00 H new ATOM 0 HD1 HIS A 44 1.102 21.407 -0.333 1.00 0.00 H new ATOM 0 HD2 HIS A 44 0.787 19.164 3.189 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -0.216 22.824 1.320 1.00 0.00 H new ATOM 719 N GLN A 45 1.925 16.664 2.426 1.00 0.00 N ATOM 720 CA GLN A 45 1.835 16.231 3.814 1.00 0.00 C ATOM 721 C GLN A 45 2.176 17.380 4.754 1.00 0.00 C ATOM 722 O GLN A 45 2.620 18.444 4.324 1.00 0.00 O ATOM 723 CB GLN A 45 2.705 15.004 4.105 1.00 0.00 C ATOM 724 CG GLN A 45 1.918 13.794 4.567 1.00 0.00 C ATOM 725 CD GLN A 45 2.282 13.349 5.963 1.00 0.00 C ATOM 726 OE1 GLN A 45 2.098 14.067 6.942 1.00 0.00 O ATOM 727 NE2 GLN A 45 2.930 12.188 6.034 1.00 0.00 N ATOM 0 H GLN A 45 2.877 16.730 2.065 1.00 0.00 H new ATOM 0 HA GLN A 45 0.803 15.928 3.990 1.00 0.00 H new ATOM 0 HB2 GLN A 45 3.261 14.742 3.205 1.00 0.00 H new ATOM 0 HB3 GLN A 45 3.438 15.263 4.869 1.00 0.00 H new ATOM 0 HG2 GLN A 45 0.853 14.025 4.532 1.00 0.00 H new ATOM 0 HG3 GLN A 45 2.088 12.971 3.873 1.00 0.00 H new ATOM 0 HE21 GLN A 45 3.059 11.624 5.194 1.00 0.00 H new ATOM 0 HE22 GLN A 45 3.297 11.863 6.928 1.00 0.00 H new ATOM 736 N MET A 46 1.821 17.202 6.024 1.00 0.00 N ATOM 737 CA MET A 46 1.949 18.270 7.005 1.00 0.00 C ATOM 738 C MET A 46 3.414 18.648 7.192 1.00 0.00 C ATOM 739 O MET A 46 3.786 19.817 7.082 1.00 0.00 O ATOM 740 CB MET A 46 1.289 17.883 8.327 1.00 0.00 C ATOM 741 CG MET A 46 -0.205 17.762 8.168 1.00 0.00 C ATOM 742 SD MET A 46 -0.880 17.175 9.764 1.00 0.00 S ATOM 743 CE MET A 46 -0.248 18.460 10.857 1.00 0.00 C ATOM 0 H MET A 46 1.444 16.330 6.395 1.00 0.00 H new ATOM 0 HA MET A 46 1.424 19.149 6.631 1.00 0.00 H new ATOM 0 HB2 MET A 46 1.699 16.936 8.679 1.00 0.00 H new ATOM 0 HB3 MET A 46 1.518 18.632 9.085 1.00 0.00 H new ATOM 0 HG2 MET A 46 -0.641 18.724 7.897 1.00 0.00 H new ATOM 0 HG3 MET A 46 -0.450 17.064 7.368 1.00 0.00 H new ATOM 0 HE1 MET A 46 -0.934 18.596 11.693 1.00 0.00 H new ATOM 0 HE2 MET A 46 0.732 18.167 11.235 1.00 0.00 H new ATOM 0 HE3 MET A 46 -0.159 19.396 10.305 1.00 0.00 H new ATOM 753 N LYS A 47 4.260 17.624 7.252 1.00 0.00 N ATOM 754 CA LYS A 47 5.701 17.828 7.299 1.00 0.00 C ATOM 755 C LYS A 47 6.187 18.507 6.027 1.00 0.00 C ATOM 756 O LYS A 47 7.207 19.193 6.015 1.00 0.00 O ATOM 757 CB LYS A 47 6.455 16.507 7.480 1.00 0.00 C ATOM 758 CG LYS A 47 6.583 16.064 8.937 1.00 0.00 C ATOM 759 CD LYS A 47 7.593 14.950 9.137 1.00 0.00 C ATOM 760 CE LYS A 47 7.462 14.219 10.411 1.00 0.00 C ATOM 761 NZ LYS A 47 8.044 12.873 10.339 1.00 0.00 N ATOM 0 H LYS A 47 3.971 16.646 7.269 1.00 0.00 H new ATOM 0 HA LYS A 47 5.905 18.466 8.159 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.943 15.727 6.917 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.452 16.607 7.052 1.00 0.00 H new ATOM 0 HG2 LYS A 47 6.871 16.921 9.546 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.609 15.731 9.296 1.00 0.00 H new ATOM 0 HD2 LYS A 47 7.498 14.240 8.315 1.00 0.00 H new ATOM 0 HD3 LYS A 47 8.596 15.373 9.078 1.00 0.00 H new ATOM 0 HE2 LYS A 47 7.952 14.783 11.204 1.00 0.00 H new ATOM 0 HE3 LYS A 47 6.408 14.144 10.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 7.929 12.396 11.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 7.559 12.324 9.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 9.056 12.944 10.110 1.00 0.00 H new ATOM 775 N ASP A 48 5.461 18.265 4.938 1.00 0.00 N ATOM 776 CA ASP A 48 5.783 18.881 3.659 1.00 0.00 C ATOM 777 C ASP A 48 4.759 19.957 3.314 1.00 0.00 C ATOM 778 O ASP A 48 4.670 20.403 2.170 1.00 0.00 O ATOM 779 CB ASP A 48 5.983 17.834 2.565 1.00 0.00 C ATOM 780 CG ASP A 48 7.261 18.033 1.772 1.00 0.00 C ATOM 781 OD1 ASP A 48 8.236 18.612 2.274 1.00 0.00 O ATOM 782 OD2 ASP A 48 7.277 17.551 0.619 1.00 0.00 O ATOM 0 H ASP A 48 4.649 17.648 4.918 1.00 0.00 H new ATOM 0 HA ASP A 48 6.744 19.389 3.740 1.00 0.00 H new ATOM 0 HB2 ASP A 48 5.995 16.843 3.018 1.00 0.00 H new ATOM 0 HB3 ASP A 48 5.132 17.863 1.884 1.00 0.00 H new ATOM 787 N CYS A 49 4.180 20.541 4.360 1.00 0.00 N ATOM 788 CA CYS A 49 3.262 21.658 4.198 1.00 0.00 C ATOM 789 C CYS A 49 4.028 22.935 3.873 1.00 0.00 C ATOM 790 O CYS A 49 4.922 23.348 4.607 1.00 0.00 O ATOM 791 CB CYS A 49 2.381 21.831 5.435 1.00 0.00 C ATOM 792 SG CYS A 49 0.948 22.906 5.189 1.00 0.00 S ATOM 0 H CYS A 49 4.332 20.257 5.328 1.00 0.00 H new ATOM 0 HA CYS A 49 2.601 21.441 3.359 1.00 0.00 H new ATOM 0 HB2 CYS A 49 2.032 20.850 5.758 1.00 0.00 H new ATOM 0 HB3 CYS A 49 2.988 22.236 6.245 1.00 0.00 H new ATOM 797 N THR A 50 3.787 23.447 2.667 1.00 0.00 N ATOM 798 CA THR A 50 4.443 24.667 2.219 1.00 0.00 C ATOM 799 C THR A 50 3.519 25.867 2.400 1.00 0.00 C ATOM 800 O THR A 50 3.764 26.942 1.852 1.00 0.00 O ATOM 801 CB THR A 50 4.917 24.553 0.709 1.00 0.00 C ATOM 802 OG1 THR A 50 5.726 25.744 0.452 1.00 0.00 O ATOM 803 CG2 THR A 50 3.769 24.411 -0.289 1.00 0.00 C ATOM 0 H THR A 50 3.146 23.036 1.989 1.00 0.00 H new ATOM 0 HA THR A 50 5.331 24.811 2.835 1.00 0.00 H new ATOM 0 HB THR A 50 5.491 23.637 0.567 1.00 0.00 H new ATOM 0 HG1 THR A 50 5.303 26.523 0.870 1.00 0.00 H new ATOM 0 HG21 THR A 50 4.172 24.339 -1.299 1.00 0.00 H new ATOM 0 HG22 THR A 50 3.198 23.511 -0.061 1.00 0.00 H new ATOM 0 HG23 THR A 50 3.117 25.282 -0.220 1.00 0.00 H new ATOM 811 N GLU A 51 2.571 25.724 3.323 1.00 0.00 N ATOM 812 CA GLU A 51 1.774 26.857 3.776 1.00 0.00 C ATOM 813 C GLU A 51 1.554 26.779 5.284 1.00 0.00 C ATOM 814 O GLU A 51 0.560 26.216 5.747 1.00 0.00 O ATOM 815 CB GLU A 51 0.443 26.816 3.015 1.00 0.00 C ATOM 816 CG GLU A 51 -0.480 27.891 2.945 1.00 0.00 C ATOM 817 CD GLU A 51 0.086 29.269 2.773 1.00 0.00 C ATOM 818 OE1 GLU A 51 0.881 29.579 1.903 1.00 0.00 O ATOM 819 OE2 GLU A 51 -0.325 30.062 3.648 1.00 0.00 O ATOM 0 H GLU A 51 2.338 24.837 3.770 1.00 0.00 H new ATOM 0 HA GLU A 51 2.286 27.798 3.577 1.00 0.00 H new ATOM 0 HB2 GLU A 51 0.693 26.567 1.984 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -0.111 25.970 3.422 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -1.160 27.699 2.115 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -1.078 27.883 3.856 1.00 0.00 H new ATOM 826 N ARG A 52 2.608 27.105 6.029 1.00 0.00 N ATOM 827 CA ARG A 52 2.646 26.834 7.460 1.00 0.00 C ATOM 828 C ARG A 52 3.156 28.055 8.218 1.00 0.00 C ATOM 829 O ARG A 52 3.814 28.925 7.645 1.00 0.00 O ATOM 830 CB ARG A 52 3.523 25.618 7.784 1.00 0.00 C ATOM 831 CG ARG A 52 4.726 25.442 6.869 1.00 0.00 C ATOM 832 CD ARG A 52 5.713 26.547 7.038 1.00 0.00 C ATOM 833 NE ARG A 52 6.975 26.262 6.370 1.00 0.00 N ATOM 834 CZ ARG A 52 7.864 25.381 6.832 1.00 0.00 C ATOM 835 NH1 ARG A 52 7.747 24.844 8.043 1.00 0.00 N ATOM 836 NH2 ARG A 52 8.925 25.075 6.085 1.00 0.00 N ATOM 0 H ARG A 52 3.446 27.557 5.663 1.00 0.00 H new ATOM 0 HA ARG A 52 1.628 26.610 7.777 1.00 0.00 H new ATOM 0 HB2 ARG A 52 3.875 25.704 8.812 1.00 0.00 H new ATOM 0 HB3 ARG A 52 2.909 24.719 7.731 1.00 0.00 H new ATOM 0 HG2 ARG A 52 5.208 24.488 7.081 1.00 0.00 H new ATOM 0 HG3 ARG A 52 4.393 25.407 5.832 1.00 0.00 H new ATOM 0 HD2 ARG A 52 5.293 27.471 6.640 1.00 0.00 H new ATOM 0 HD3 ARG A 52 5.895 26.711 8.100 1.00 0.00 H new ATOM 0 HE ARG A 52 7.190 26.760 5.506 1.00 0.00 H new ATOM 0 HH11 ARG A 52 6.964 25.104 8.642 1.00 0.00 H new ATOM 0 HH12 ARG A 52 8.441 24.173 8.372 1.00 0.00 H new ATOM 0 HH21 ARG A 52 9.049 25.513 5.172 1.00 0.00 H new ATOM 0 HH22 ARG A 52 9.612 24.403 6.426 1.00 0.00 H new ATOM 850 N GLN A 53 2.670 28.208 9.447 1.00 0.00 N ATOM 851 CA GLN A 53 2.883 29.435 10.203 1.00 0.00 C ATOM 852 C GLN A 53 4.332 29.526 10.669 1.00 0.00 C ATOM 853 O GLN A 53 4.758 28.793 11.562 1.00 0.00 O ATOM 854 CB GLN A 53 1.916 29.577 11.381 1.00 0.00 C ATOM 855 CG GLN A 53 0.889 30.677 11.198 1.00 0.00 C ATOM 856 CD GLN A 53 0.947 31.726 12.282 1.00 0.00 C ATOM 857 OE1 GLN A 53 0.875 32.926 12.030 1.00 0.00 O ATOM 858 NE2 GLN A 53 1.172 31.260 13.508 1.00 0.00 N ATOM 0 H GLN A 53 2.127 27.498 9.938 1.00 0.00 H new ATOM 0 HA GLN A 53 2.675 30.268 9.531 1.00 0.00 H new ATOM 0 HB2 GLN A 53 1.398 28.630 11.530 1.00 0.00 H new ATOM 0 HB3 GLN A 53 2.488 29.774 12.288 1.00 0.00 H new ATOM 0 HG2 GLN A 53 1.044 31.154 10.230 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -0.108 30.236 11.180 1.00 0.00 H new ATOM 0 HE21 GLN A 53 1.224 30.254 13.670 1.00 0.00 H new ATOM 0 HE22 GLN A 53 1.293 31.909 14.286 1.00 0.00 H new ATOM 867 N ALA A 54 5.125 30.288 9.919 1.00 0.00 N ATOM 868 CA ALA A 54 6.571 30.292 10.102 1.00 0.00 C ATOM 869 C ALA A 54 7.115 31.712 9.976 1.00 0.00 C ATOM 870 O ALA A 54 7.332 32.396 10.977 1.00 0.00 O ATOM 871 CB ALA A 54 7.233 29.359 9.094 1.00 0.00 C ATOM 0 H ALA A 54 4.790 30.908 9.182 1.00 0.00 H new ATOM 0 HA ALA A 54 6.803 29.928 11.103 1.00 0.00 H new ATOM 0 HB1 ALA A 54 8.313 29.371 9.241 1.00 0.00 H new ATOM 0 HB2 ALA A 54 6.859 28.345 9.236 1.00 0.00 H new ATOM 0 HB3 ALA A 54 7.001 29.693 8.083 1.00 0.00 H new ATOM 877 N ASN A 55 7.121 32.212 8.744 1.00 0.00 N ATOM 878 CA ASN A 55 7.391 33.622 8.495 1.00 0.00 C ATOM 879 C ASN A 55 6.701 34.075 7.211 1.00 0.00 C ATOM 880 O ASN A 55 6.878 35.230 6.796 1.00 0.00 O ATOM 881 CB ASN A 55 8.886 33.927 8.542 1.00 0.00 C ATOM 882 CG ASN A 55 9.693 33.130 7.534 1.00 0.00 C ATOM 883 OD1 ASN A 55 9.617 31.893 7.496 1.00 0.00 O ATOM 884 ND2 ASN A 55 10.463 33.835 6.705 1.00 0.00 N ATOM 885 OXT ASN A 55 5.818 33.364 6.708 1.00 0.00 O ATOM 0 H ASN A 55 6.942 31.662 7.904 1.00 0.00 H new ATOM 0 HA ASN A 55 6.960 34.216 9.301 1.00 0.00 H new ATOM 0 HB2 ASN A 55 9.039 34.991 8.360 1.00 0.00 H new ATOM 0 HB3 ASN A 55 9.261 33.718 9.544 1.00 0.00 H new ATOM 0 HD21 ASN A 55 11.024 33.357 5.999 1.00 0.00 H new ATOM 0 HD22 ASN A 55 10.491 34.852 6.776 1.00 0.00 H new TER 892 ASN A 55 HETATM 893 ZN ZN A 56 0.496 -2.736 -6.935 1.00 0.00 ZN HETATM 894 ZN ZN A 57 -0.793 21.658 4.352 1.00 0.00 ZN