USER MOD reduce.3.24.130724 H: found=0, std=0, add=420, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 420 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: X 33 TYR OH : rot -64:sc= 0.224 USER MOD Set 1.2: X 37 ASN : amide:sc= -7.76! C(o=-7.5!,f=-5.8!) USER MOD Set 2.1: X 8 ASN : amide:sc= -0.447 K(o=-1,f=1.8) USER MOD Set 2.2: X 55 THR OG1 : rot 180:sc= -0.574 USER MOD Set 3.1: X 1 MET CE :methyl -128:sc= -3.13 (180deg=-2.23) USER MOD Set 3.2: X 3 TYR OH : rot -45:sc= -0.964 USER MOD Single : X 1 MET N :NH3+ 164:sc= 0.282 (180deg=0.147) USER MOD Single : X 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : X 4 LYS NZ :NH3+ -163:sc= -0.0151 (180deg=-0.164) USER MOD Single : X 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 11 THR OG1 : rot 180:sc= 0 USER MOD Single : X 13 LYS NZ :NH3+ -165:sc= -15.1! (180deg=-16.5!) USER MOD Single : X 16 THR OG1 : rot 37:sc= -2.72 USER MOD Single : X 17 THR OG1 : rot 180:sc= -0.143 USER MOD Single : X 18 THR OG1 : rot 180:sc= 0 USER MOD Single : X 25 THR OG1 : rot 180:sc= 0 USER MOD Single : X 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 32 GLN : amide:sc= 0 X(o=0,f=0.38) USER MOD Single : X 35 ASN : amide:sc= -0.169 K(o=-0.17,f=-2.2!) USER MOD Single : X 44 THR OG1 : rot 180:sc= -0.304 USER MOD Single : X 45 TYR OH : rot 180:sc= 0 USER MOD Single : X 49 THR OG1 : rot -109:sc= 0.686 USER MOD Single : X 50 LYS NZ :NH3+ 157:sc= 1.37 (180deg=-0.438!) USER MOD Single : X 51 THR OG1 : rot 67:sc= 1.25 USER MOD Single : X 53 THR OG1 : rot -140:sc= -2.95! USER MOD ----------------------------------------------------------------- ATOM 1 N MET X 1 25.430 -12.299 -3.538 1.00 0.00 N ATOM 2 CA MET X 1 26.169 -11.045 -3.862 1.00 0.00 C ATOM 3 C MET X 1 25.319 -10.213 -4.836 1.00 0.00 C ATOM 4 O MET X 1 24.204 -10.606 -5.179 1.00 0.00 O ATOM 5 CB MET X 1 27.571 -11.422 -4.436 1.00 0.00 C ATOM 6 CG MET X 1 27.662 -11.200 -5.961 1.00 0.00 C ATOM 7 SD MET X 1 29.014 -12.197 -6.625 1.00 0.00 S ATOM 8 CE MET X 1 28.174 -13.805 -6.595 1.00 0.00 C ATOM 0 H1 MET X 1 26.083 -12.986 -3.111 1.00 0.00 H new ATOM 0 H2 MET X 1 24.663 -12.087 -2.868 1.00 0.00 H new ATOM 0 H3 MET X 1 25.027 -12.700 -4.409 1.00 0.00 H new ATOM 0 HA MET X 1 26.339 -10.433 -2.976 1.00 0.00 H new ATOM 0 HB2 MET X 1 28.336 -10.826 -3.939 1.00 0.00 H new ATOM 0 HB3 MET X 1 27.784 -12.467 -4.210 1.00 0.00 H new ATOM 0 HG2 MET X 1 26.722 -11.477 -6.438 1.00 0.00 H new ATOM 0 HG3 MET X 1 27.831 -10.145 -6.178 1.00 0.00 H new ATOM 0 HE1 MET X 1 28.798 -14.532 -6.074 1.00 0.00 H new ATOM 0 HE2 MET X 1 27.220 -13.708 -6.077 1.00 0.00 H new ATOM 0 HE3 MET X 1 27.999 -14.143 -7.616 1.00 0.00 H new ATOM 20 N GLN X 2 25.844 -9.065 -5.271 1.00 0.00 N ATOM 21 CA GLN X 2 25.114 -8.189 -6.194 1.00 0.00 C ATOM 22 C GLN X 2 25.955 -7.856 -7.426 1.00 0.00 C ATOM 23 O GLN X 2 27.152 -7.587 -7.322 1.00 0.00 O ATOM 24 CB GLN X 2 24.734 -6.891 -5.480 1.00 0.00 C ATOM 25 CG GLN X 2 23.632 -7.176 -4.457 1.00 0.00 C ATOM 26 CD GLN X 2 23.171 -5.868 -3.806 1.00 0.00 C ATOM 27 OE1 GLN X 2 23.941 -5.230 -3.088 1.00 0.00 O ATOM 28 NE2 GLN X 2 21.953 -5.426 -4.012 1.00 0.00 N ATOM 0 H GLN X 2 26.766 -8.721 -5.002 1.00 0.00 H new ATOM 0 HA GLN X 2 24.217 -8.716 -6.519 1.00 0.00 H new ATOM 0 HB2 GLN X 2 25.607 -6.468 -4.982 1.00 0.00 H new ATOM 0 HB3 GLN X 2 24.391 -6.152 -6.204 1.00 0.00 H new ATOM 0 HG2 GLN X 2 22.789 -7.666 -4.945 1.00 0.00 H new ATOM 0 HG3 GLN X 2 24.001 -7.861 -3.694 1.00 0.00 H new ATOM 0 HE21 GLN X 2 21.313 -5.953 -4.607 1.00 0.00 H new ATOM 0 HE22 GLN X 2 21.646 -4.556 -3.578 1.00 0.00 H new ATOM 37 N TYR X 3 25.303 -7.854 -8.590 1.00 0.00 N ATOM 38 CA TYR X 3 25.966 -7.530 -9.856 1.00 0.00 C ATOM 39 C TYR X 3 25.286 -6.312 -10.471 1.00 0.00 C ATOM 40 O TYR X 3 24.225 -5.900 -10.016 1.00 0.00 O ATOM 41 CB TYR X 3 25.884 -8.714 -10.839 1.00 0.00 C ATOM 42 CG TYR X 3 25.869 -10.017 -10.078 1.00 0.00 C ATOM 43 CD1 TYR X 3 24.751 -10.358 -9.308 1.00 0.00 C ATOM 44 CD2 TYR X 3 26.965 -10.888 -10.142 1.00 0.00 C ATOM 45 CE1 TYR X 3 24.725 -11.565 -8.608 1.00 0.00 C ATOM 46 CE2 TYR X 3 26.939 -12.098 -9.439 1.00 0.00 C ATOM 47 CZ TYR X 3 25.817 -12.437 -8.672 1.00 0.00 C ATOM 48 OH TYR X 3 25.786 -13.629 -7.980 1.00 0.00 O ATOM 0 H TYR X 3 24.311 -8.074 -8.683 1.00 0.00 H new ATOM 0 HA TYR X 3 27.017 -7.320 -9.660 1.00 0.00 H new ATOM 0 HB2 TYR X 3 24.985 -8.629 -11.449 1.00 0.00 H new ATOM 0 HB3 TYR X 3 26.734 -8.691 -11.520 1.00 0.00 H new ATOM 0 HD1 TYR X 3 23.907 -9.686 -9.256 1.00 0.00 H new ATOM 0 HD2 TYR X 3 27.830 -10.626 -10.734 1.00 0.00 H new ATOM 0 HE1 TYR X 3 23.860 -11.826 -8.016 1.00 0.00 H new ATOM 0 HE2 TYR X 3 27.783 -12.770 -9.488 1.00 0.00 H new ATOM 0 HH TYR X 3 25.448 -13.472 -7.074 1.00 0.00 H new ATOM 58 N LYS X 4 25.897 -5.739 -11.501 1.00 0.00 N ATOM 59 CA LYS X 4 25.324 -4.557 -12.161 1.00 0.00 C ATOM 60 C LYS X 4 25.407 -4.697 -13.676 1.00 0.00 C ATOM 61 O LYS X 4 26.473 -4.977 -14.222 1.00 0.00 O ATOM 62 CB LYS X 4 26.091 -3.305 -11.713 1.00 0.00 C ATOM 63 CG LYS X 4 25.221 -2.046 -11.891 1.00 0.00 C ATOM 64 CD LYS X 4 26.002 -0.805 -11.387 1.00 0.00 C ATOM 65 CE LYS X 4 25.044 0.221 -10.770 1.00 0.00 C ATOM 66 NZ LYS X 4 24.140 0.750 -11.824 1.00 0.00 N ATOM 0 H LYS X 4 26.779 -6.063 -11.898 1.00 0.00 H new ATOM 0 HA LYS X 4 24.275 -4.468 -11.879 1.00 0.00 H new ATOM 0 HB2 LYS X 4 26.385 -3.406 -10.668 1.00 0.00 H new ATOM 0 HB3 LYS X 4 27.008 -3.206 -12.294 1.00 0.00 H new ATOM 0 HG2 LYS X 4 24.954 -1.920 -12.940 1.00 0.00 H new ATOM 0 HG3 LYS X 4 24.289 -2.153 -11.336 1.00 0.00 H new ATOM 0 HD2 LYS X 4 26.742 -1.110 -10.647 1.00 0.00 H new ATOM 0 HD3 LYS X 4 26.547 -0.350 -12.215 1.00 0.00 H new ATOM 0 HE2 LYS X 4 24.461 -0.243 -9.974 1.00 0.00 H new ATOM 0 HE3 LYS X 4 25.609 1.036 -10.318 1.00 0.00 H new ATOM 0 HZ1 LYS X 4 23.697 1.630 -11.492 1.00 0.00 H new ATOM 0 HZ2 LYS X 4 24.688 0.943 -12.687 1.00 0.00 H new ATOM 0 HZ3 LYS X 4 23.402 0.048 -12.032 1.00 0.00 H new ATOM 80 N LEU X 5 24.276 -4.493 -14.356 1.00 0.00 N ATOM 81 CA LEU X 5 24.241 -4.594 -15.824 1.00 0.00 C ATOM 82 C LEU X 5 24.150 -3.192 -16.424 1.00 0.00 C ATOM 83 O LEU X 5 23.262 -2.414 -16.081 1.00 0.00 O ATOM 84 CB LEU X 5 23.037 -5.478 -16.241 1.00 0.00 C ATOM 85 CG LEU X 5 22.901 -5.698 -17.785 1.00 0.00 C ATOM 86 CD1 LEU X 5 22.002 -4.631 -18.415 1.00 0.00 C ATOM 87 CD2 LEU X 5 24.259 -5.698 -18.506 1.00 0.00 C ATOM 0 H LEU X 5 23.382 -4.260 -13.924 1.00 0.00 H new ATOM 0 HA LEU X 5 25.151 -5.061 -16.200 1.00 0.00 H new ATOM 0 HB2 LEU X 5 23.129 -6.449 -15.755 1.00 0.00 H new ATOM 0 HB3 LEU X 5 22.120 -5.021 -15.869 1.00 0.00 H new ATOM 0 HG LEU X 5 22.451 -6.683 -17.909 1.00 0.00 H new ATOM 0 HD11 LEU X 5 21.925 -4.807 -19.488 1.00 0.00 H new ATOM 0 HD12 LEU X 5 21.010 -4.680 -17.967 1.00 0.00 H new ATOM 0 HD13 LEU X 5 22.431 -3.644 -18.240 1.00 0.00 H new ATOM 0 HD21 LEU X 5 24.104 -5.855 -19.574 1.00 0.00 H new ATOM 0 HD22 LEU X 5 24.755 -4.740 -18.348 1.00 0.00 H new ATOM 0 HD23 LEU X 5 24.882 -6.499 -18.108 1.00 0.00 H new ATOM 99 N ILE X 6 25.074 -2.878 -17.332 1.00 0.00 N ATOM 100 CA ILE X 6 25.091 -1.575 -17.991 1.00 0.00 C ATOM 101 C ILE X 6 24.426 -1.695 -19.345 1.00 0.00 C ATOM 102 O ILE X 6 24.710 -2.618 -20.110 1.00 0.00 O ATOM 103 CB ILE X 6 26.531 -1.102 -18.202 1.00 0.00 C ATOM 104 CG1 ILE X 6 27.302 -1.152 -16.876 1.00 0.00 C ATOM 105 CG2 ILE X 6 26.518 0.326 -18.746 1.00 0.00 C ATOM 106 CD1 ILE X 6 26.541 -0.396 -15.785 1.00 0.00 C ATOM 0 H ILE X 6 25.819 -3.509 -17.627 1.00 0.00 H new ATOM 0 HA ILE X 6 24.561 -0.859 -17.363 1.00 0.00 H new ATOM 0 HB ILE X 6 27.026 -1.759 -18.917 1.00 0.00 H new ATOM 0 HG12 ILE X 6 27.449 -2.189 -16.573 1.00 0.00 H new ATOM 0 HG13 ILE X 6 28.292 -0.714 -17.007 1.00 0.00 H new ATOM 0 HG21 ILE X 6 27.542 0.667 -18.898 1.00 0.00 H new ATOM 0 HG22 ILE X 6 25.984 0.349 -19.696 1.00 0.00 H new ATOM 0 HG23 ILE X 6 26.019 0.982 -18.033 1.00 0.00 H new ATOM 0 HD11 ILE X 6 27.102 -0.442 -14.852 1.00 0.00 H new ATOM 0 HD12 ILE X 6 26.417 0.645 -16.083 1.00 0.00 H new ATOM 0 HD13 ILE X 6 25.561 -0.852 -15.642 1.00 0.00 H new ATOM 118 N LEU X 7 23.529 -0.765 -19.636 1.00 0.00 N ATOM 119 CA LEU X 7 22.815 -0.781 -20.906 1.00 0.00 C ATOM 120 C LEU X 7 23.546 0.061 -21.944 1.00 0.00 C ATOM 121 O LEU X 7 23.639 1.282 -21.822 1.00 0.00 O ATOM 122 CB LEU X 7 21.388 -0.223 -20.718 1.00 0.00 C ATOM 123 CG LEU X 7 20.410 -1.322 -20.259 1.00 0.00 C ATOM 124 CD1 LEU X 7 20.520 -1.524 -18.743 1.00 0.00 C ATOM 125 CD2 LEU X 7 18.982 -0.893 -20.614 1.00 0.00 C ATOM 0 H LEU X 7 23.279 0.005 -19.016 1.00 0.00 H new ATOM 0 HA LEU X 7 22.764 -1.813 -21.254 1.00 0.00 H new ATOM 0 HB2 LEU X 7 21.404 0.582 -19.983 1.00 0.00 H new ATOM 0 HB3 LEU X 7 21.038 0.209 -21.656 1.00 0.00 H new ATOM 0 HG LEU X 7 20.655 -2.259 -20.759 1.00 0.00 H new ATOM 0 HD11 LEU X 7 19.825 -2.303 -18.428 1.00 0.00 H new ATOM 0 HD12 LEU X 7 21.537 -1.821 -18.488 1.00 0.00 H new ATOM 0 HD13 LEU X 7 20.276 -0.592 -18.233 1.00 0.00 H new ATOM 0 HD21 LEU X 7 18.280 -1.663 -20.294 1.00 0.00 H new ATOM 0 HD22 LEU X 7 18.747 0.044 -20.109 1.00 0.00 H new ATOM 0 HD23 LEU X 7 18.901 -0.754 -21.692 1.00 0.00 H new ATOM 137 N ASN X 8 24.025 -0.607 -22.983 1.00 0.00 N ATOM 138 CA ASN X 8 24.707 0.057 -24.081 1.00 0.00 C ATOM 139 C ASN X 8 24.168 -0.502 -25.388 1.00 0.00 C ATOM 140 O ASN X 8 24.709 -1.461 -25.934 1.00 0.00 O ATOM 141 CB ASN X 8 26.209 -0.197 -23.988 1.00 0.00 C ATOM 142 CG ASN X 8 26.922 0.457 -25.165 1.00 0.00 C ATOM 143 OD1 ASN X 8 26.616 1.594 -25.523 1.00 0.00 O ATOM 144 ND2 ASN X 8 27.863 -0.196 -25.792 1.00 0.00 N ATOM 0 H ASN X 8 23.952 -1.619 -23.088 1.00 0.00 H new ATOM 0 HA ASN X 8 24.533 1.132 -24.034 1.00 0.00 H new ATOM 0 HB2 ASN X 8 26.596 0.202 -23.050 1.00 0.00 H new ATOM 0 HB3 ASN X 8 26.405 -1.269 -23.983 1.00 0.00 H new ATOM 0 HD21 ASN X 8 28.346 0.236 -26.580 1.00 0.00 H new ATOM 0 HD22 ASN X 8 28.115 -1.138 -25.494 1.00 0.00 H new ATOM 151 N GLY X 9 23.081 0.096 -25.883 1.00 0.00 N ATOM 152 CA GLY X 9 22.456 -0.362 -27.124 1.00 0.00 C ATOM 153 C GLY X 9 22.291 0.777 -28.110 1.00 0.00 C ATOM 154 O GLY X 9 22.920 1.826 -27.980 1.00 0.00 O ATOM 0 H GLY X 9 22.619 0.893 -25.446 1.00 0.00 H new ATOM 0 HA2 GLY X 9 23.064 -1.148 -27.572 1.00 0.00 H new ATOM 0 HA3 GLY X 9 21.482 -0.799 -26.904 1.00 0.00 H new ATOM 158 N LYS X 10 21.436 0.558 -29.102 1.00 0.00 N ATOM 159 CA LYS X 10 21.188 1.574 -30.114 1.00 0.00 C ATOM 160 C LYS X 10 20.200 2.627 -29.602 1.00 0.00 C ATOM 161 O LYS X 10 20.395 3.822 -29.825 1.00 0.00 O ATOM 162 CB LYS X 10 20.643 0.917 -31.389 1.00 0.00 C ATOM 163 CG LYS X 10 21.536 -0.268 -31.772 1.00 0.00 C ATOM 164 CD LYS X 10 21.018 -0.924 -33.066 1.00 0.00 C ATOM 165 CE LYS X 10 19.876 -1.897 -32.747 1.00 0.00 C ATOM 166 NZ LYS X 10 19.489 -2.626 -33.987 1.00 0.00 N ATOM 0 H LYS X 10 20.908 -0.306 -29.226 1.00 0.00 H new ATOM 0 HA LYS X 10 22.131 2.073 -30.340 1.00 0.00 H new ATOM 0 HB2 LYS X 10 19.620 0.578 -31.228 1.00 0.00 H new ATOM 0 HB3 LYS X 10 20.614 1.643 -32.202 1.00 0.00 H new ATOM 0 HG2 LYS X 10 22.563 0.071 -31.912 1.00 0.00 H new ATOM 0 HG3 LYS X 10 21.549 -1.000 -30.964 1.00 0.00 H new ATOM 0 HD2 LYS X 10 20.669 -0.156 -33.757 1.00 0.00 H new ATOM 0 HD3 LYS X 10 21.830 -1.455 -33.563 1.00 0.00 H new ATOM 0 HE2 LYS X 10 20.189 -2.604 -31.979 1.00 0.00 H new ATOM 0 HE3 LYS X 10 19.020 -1.353 -32.349 1.00 0.00 H new ATOM 0 HZ1 LYS X 10 18.715 -3.287 -33.774 1.00 0.00 H new ATOM 0 HZ2 LYS X 10 19.174 -1.944 -34.707 1.00 0.00 H new ATOM 0 HZ3 LYS X 10 20.308 -3.157 -34.347 1.00 0.00 H new ATOM 180 N THR X 11 19.128 2.184 -28.926 1.00 0.00 N ATOM 181 CA THR X 11 18.113 3.113 -28.409 1.00 0.00 C ATOM 182 C THR X 11 17.786 2.855 -26.938 1.00 0.00 C ATOM 183 O THR X 11 16.767 3.331 -26.442 1.00 0.00 O ATOM 184 CB THR X 11 16.832 2.977 -29.232 1.00 0.00 C ATOM 185 OG1 THR X 11 16.417 1.619 -29.239 1.00 0.00 O ATOM 186 CG2 THR X 11 17.096 3.441 -30.662 1.00 0.00 C ATOM 0 H THR X 11 18.943 1.201 -28.727 1.00 0.00 H new ATOM 0 HA THR X 11 18.522 4.120 -28.491 1.00 0.00 H new ATOM 0 HB THR X 11 16.047 3.592 -28.792 1.00 0.00 H new ATOM 0 HG1 THR X 11 15.595 1.531 -29.765 1.00 0.00 H new ATOM 0 HG21 THR X 11 16.183 3.345 -31.250 1.00 0.00 H new ATOM 0 HG22 THR X 11 17.414 4.484 -30.653 1.00 0.00 H new ATOM 0 HG23 THR X 11 17.880 2.827 -31.105 1.00 0.00 H new ATOM 194 N LEU X 12 18.635 2.099 -26.238 1.00 0.00 N ATOM 195 CA LEU X 12 18.384 1.798 -24.823 1.00 0.00 C ATOM 196 C LEU X 12 19.670 1.881 -23.990 1.00 0.00 C ATOM 197 O LEU X 12 20.462 0.938 -23.963 1.00 0.00 O ATOM 198 CB LEU X 12 17.760 0.386 -24.710 1.00 0.00 C ATOM 199 CG LEU X 12 16.546 0.376 -23.759 1.00 0.00 C ATOM 200 CD1 LEU X 12 16.153 -1.081 -23.458 1.00 0.00 C ATOM 201 CD2 LEU X 12 16.878 1.113 -22.440 1.00 0.00 C ATOM 0 H LEU X 12 19.489 1.689 -26.618 1.00 0.00 H new ATOM 0 HA LEU X 12 17.693 2.542 -24.427 1.00 0.00 H new ATOM 0 HB2 LEU X 12 17.452 0.044 -25.698 1.00 0.00 H new ATOM 0 HB3 LEU X 12 18.511 -0.317 -24.349 1.00 0.00 H new ATOM 0 HG LEU X 12 15.715 0.892 -24.239 1.00 0.00 H new ATOM 0 HD11 LEU X 12 15.295 -1.095 -22.786 1.00 0.00 H new ATOM 0 HD12 LEU X 12 15.894 -1.587 -24.388 1.00 0.00 H new ATOM 0 HD13 LEU X 12 16.991 -1.594 -22.987 1.00 0.00 H new ATOM 0 HD21 LEU X 12 16.008 1.094 -21.784 1.00 0.00 H new ATOM 0 HD22 LEU X 12 17.715 0.618 -21.947 1.00 0.00 H new ATOM 0 HD23 LEU X 12 17.145 2.147 -22.658 1.00 0.00 H new ATOM 213 N LYS X 13 19.844 3.004 -23.285 1.00 0.00 N ATOM 214 CA LYS X 13 21.012 3.216 -22.423 1.00 0.00 C ATOM 215 C LYS X 13 20.530 3.494 -20.987 1.00 0.00 C ATOM 216 O LYS X 13 19.566 4.231 -20.784 1.00 0.00 O ATOM 217 CB LYS X 13 21.825 4.424 -22.960 1.00 0.00 C ATOM 218 CG LYS X 13 23.081 3.960 -23.724 1.00 0.00 C ATOM 219 CD LYS X 13 22.713 3.177 -24.989 1.00 0.00 C ATOM 220 CE LYS X 13 21.876 4.039 -25.946 1.00 0.00 C ATOM 221 NZ LYS X 13 20.432 3.760 -25.707 1.00 0.00 N ATOM 0 H LYS X 13 19.187 3.784 -23.295 1.00 0.00 H new ATOM 0 HA LYS X 13 21.648 2.331 -22.422 1.00 0.00 H new ATOM 0 HB2 LYS X 13 21.197 5.023 -23.619 1.00 0.00 H new ATOM 0 HB3 LYS X 13 22.119 5.065 -22.129 1.00 0.00 H new ATOM 0 HG2 LYS X 13 23.684 4.827 -23.994 1.00 0.00 H new ATOM 0 HG3 LYS X 13 23.693 3.335 -23.074 1.00 0.00 H new ATOM 0 HD2 LYS X 13 23.621 2.845 -25.493 1.00 0.00 H new ATOM 0 HD3 LYS X 13 22.154 2.282 -24.717 1.00 0.00 H new ATOM 0 HE2 LYS X 13 22.088 5.096 -25.784 1.00 0.00 H new ATOM 0 HE3 LYS X 13 22.137 3.816 -26.981 1.00 0.00 H new ATOM 0 HZ1 LYS X 13 19.871 4.132 -26.500 1.00 0.00 H new ATOM 0 HZ2 LYS X 13 20.285 2.733 -25.630 1.00 0.00 H new ATOM 0 HZ3 LYS X 13 20.131 4.220 -24.824 1.00 0.00 H new ATOM 235 N GLY X 14 21.204 2.898 -20.002 1.00 0.00 N ATOM 236 CA GLY X 14 20.827 3.089 -18.605 1.00 0.00 C ATOM 237 C GLY X 14 21.641 2.173 -17.684 1.00 0.00 C ATOM 238 O GLY X 14 22.750 1.760 -18.027 1.00 0.00 O ATOM 0 H GLY X 14 22.006 2.285 -20.146 1.00 0.00 H new ATOM 0 HA2 GLY X 14 20.986 4.129 -18.321 1.00 0.00 H new ATOM 0 HA3 GLY X 14 19.764 2.883 -18.481 1.00 0.00 H new ATOM 242 N GLU X 15 21.074 1.854 -16.512 1.00 0.00 N ATOM 243 CA GLU X 15 21.732 0.982 -15.538 1.00 0.00 C ATOM 244 C GLU X 15 20.770 -0.094 -15.051 1.00 0.00 C ATOM 245 O GLU X 15 19.556 0.109 -15.041 1.00 0.00 O ATOM 246 CB GLU X 15 22.190 1.797 -14.338 1.00 0.00 C ATOM 247 CG GLU X 15 23.161 2.881 -14.792 1.00 0.00 C ATOM 248 CD GLU X 15 24.516 2.269 -15.122 1.00 0.00 C ATOM 249 OE1 GLU X 15 24.985 1.460 -14.338 1.00 0.00 O ATOM 250 OE2 GLU X 15 25.065 2.616 -16.154 1.00 0.00 O ATOM 0 H GLU X 15 20.157 2.190 -16.218 1.00 0.00 H new ATOM 0 HA GLU X 15 22.588 0.515 -16.024 1.00 0.00 H new ATOM 0 HB2 GLU X 15 21.330 2.249 -13.844 1.00 0.00 H new ATOM 0 HB3 GLU X 15 22.672 1.147 -13.607 1.00 0.00 H new ATOM 0 HG2 GLU X 15 22.762 3.393 -15.668 1.00 0.00 H new ATOM 0 HG3 GLU X 15 23.273 3.630 -14.008 1.00 0.00 H new ATOM 257 N THR X 16 21.316 -1.237 -14.639 1.00 0.00 N ATOM 258 CA THR X 16 20.484 -2.336 -14.145 1.00 0.00 C ATOM 259 C THR X 16 21.229 -3.129 -13.074 1.00 0.00 C ATOM 260 O THR X 16 22.459 -3.148 -13.041 1.00 0.00 O ATOM 261 CB THR X 16 20.090 -3.253 -15.319 1.00 0.00 C ATOM 262 OG1 THR X 16 21.000 -3.051 -16.386 1.00 0.00 O ATOM 263 CG2 THR X 16 18.681 -2.921 -15.800 1.00 0.00 C ATOM 0 H THR X 16 22.318 -1.427 -14.636 1.00 0.00 H new ATOM 0 HA THR X 16 19.580 -1.925 -13.696 1.00 0.00 H new ATOM 0 HB THR X 16 20.118 -4.291 -14.986 1.00 0.00 H new ATOM 0 HG1 THR X 16 21.899 -2.902 -16.025 1.00 0.00 H new ATOM 0 HG21 THR X 16 18.416 -3.576 -16.630 1.00 0.00 H new ATOM 0 HG22 THR X 16 17.974 -3.066 -14.983 1.00 0.00 H new ATOM 0 HG23 THR X 16 18.645 -1.883 -16.132 1.00 0.00 H new ATOM 271 N THR X 17 20.464 -3.782 -12.202 1.00 0.00 N ATOM 272 CA THR X 17 21.050 -4.580 -11.124 1.00 0.00 C ATOM 273 C THR X 17 20.184 -5.806 -10.825 1.00 0.00 C ATOM 274 O THR X 17 18.994 -5.826 -11.135 1.00 0.00 O ATOM 275 CB THR X 17 21.179 -3.716 -9.862 1.00 0.00 C ATOM 276 OG1 THR X 17 21.539 -2.394 -10.239 1.00 0.00 O ATOM 277 CG2 THR X 17 22.255 -4.288 -8.935 1.00 0.00 C ATOM 0 H THR X 17 19.444 -3.776 -12.219 1.00 0.00 H new ATOM 0 HA THR X 17 22.036 -4.923 -11.438 1.00 0.00 H new ATOM 0 HB THR X 17 20.225 -3.709 -9.335 1.00 0.00 H new ATOM 0 HG1 THR X 17 21.622 -1.836 -9.437 1.00 0.00 H new ATOM 0 HG21 THR X 17 22.336 -3.665 -8.044 1.00 0.00 H new ATOM 0 HG22 THR X 17 21.983 -5.303 -8.645 1.00 0.00 H new ATOM 0 HG23 THR X 17 23.213 -4.303 -9.455 1.00 0.00 H new ATOM 285 N THR X 18 20.790 -6.817 -10.203 1.00 0.00 N ATOM 286 CA THR X 18 20.068 -8.030 -9.846 1.00 0.00 C ATOM 287 C THR X 18 20.725 -8.688 -8.636 1.00 0.00 C ATOM 288 O THR X 18 21.930 -8.558 -8.425 1.00 0.00 O ATOM 289 CB THR X 18 20.044 -9.000 -11.034 1.00 0.00 C ATOM 290 OG1 THR X 18 19.004 -9.949 -10.844 1.00 0.00 O ATOM 291 CG2 THR X 18 21.385 -9.731 -11.146 1.00 0.00 C ATOM 0 H THR X 18 21.775 -6.817 -9.938 1.00 0.00 H new ATOM 0 HA THR X 18 19.041 -7.770 -9.590 1.00 0.00 H new ATOM 0 HB THR X 18 19.869 -8.437 -11.951 1.00 0.00 H new ATOM 0 HG1 THR X 18 18.985 -10.569 -11.602 1.00 0.00 H new ATOM 0 HG21 THR X 18 21.356 -10.417 -11.993 1.00 0.00 H new ATOM 0 HG22 THR X 18 22.184 -9.005 -11.294 1.00 0.00 H new ATOM 0 HG23 THR X 18 21.571 -10.293 -10.231 1.00 0.00 H new ATOM 299 N GLU X 19 19.926 -9.399 -7.848 1.00 0.00 N ATOM 300 CA GLU X 19 20.430 -10.085 -6.658 1.00 0.00 C ATOM 301 C GLU X 19 20.489 -11.597 -6.907 1.00 0.00 C ATOM 302 O GLU X 19 19.455 -12.257 -7.013 1.00 0.00 O ATOM 303 CB GLU X 19 19.504 -9.774 -5.461 1.00 0.00 C ATOM 304 CG GLU X 19 20.315 -9.624 -4.165 1.00 0.00 C ATOM 305 CD GLU X 19 21.328 -10.758 -4.037 1.00 0.00 C ATOM 306 OE1 GLU X 19 20.974 -11.881 -4.352 1.00 0.00 O ATOM 307 OE2 GLU X 19 22.441 -10.486 -3.619 1.00 0.00 O ATOM 0 H GLU X 19 18.926 -9.517 -8.010 1.00 0.00 H new ATOM 0 HA GLU X 19 21.437 -9.734 -6.434 1.00 0.00 H new ATOM 0 HB2 GLU X 19 18.948 -8.857 -5.655 1.00 0.00 H new ATOM 0 HB3 GLU X 19 18.771 -10.573 -5.346 1.00 0.00 H new ATOM 0 HG2 GLU X 19 20.832 -8.664 -4.161 1.00 0.00 H new ATOM 0 HG3 GLU X 19 19.644 -9.629 -3.306 1.00 0.00 H new ATOM 314 N ALA X 20 21.706 -12.137 -6.993 1.00 0.00 N ATOM 315 CA ALA X 20 21.892 -13.573 -7.224 1.00 0.00 C ATOM 316 C ALA X 20 23.154 -14.069 -6.528 1.00 0.00 C ATOM 317 O ALA X 20 24.030 -13.284 -6.167 1.00 0.00 O ATOM 318 CB ALA X 20 21.991 -13.871 -8.729 1.00 0.00 C ATOM 0 H ALA X 20 22.573 -11.607 -6.907 1.00 0.00 H new ATOM 0 HA ALA X 20 21.027 -14.093 -6.812 1.00 0.00 H new ATOM 0 HB1 ALA X 20 22.129 -14.942 -8.880 1.00 0.00 H new ATOM 0 HB2 ALA X 20 21.075 -13.550 -9.225 1.00 0.00 H new ATOM 0 HB3 ALA X 20 22.840 -13.333 -9.151 1.00 0.00 H new ATOM 324 N VAL X 21 23.237 -15.383 -6.349 1.00 0.00 N ATOM 325 CA VAL X 21 24.391 -15.993 -5.707 1.00 0.00 C ATOM 326 C VAL X 21 25.468 -16.274 -6.746 1.00 0.00 C ATOM 327 O VAL X 21 26.656 -16.076 -6.495 1.00 0.00 O ATOM 328 CB VAL X 21 23.963 -17.299 -5.016 1.00 0.00 C ATOM 329 CG1 VAL X 21 22.968 -18.049 -5.904 1.00 0.00 C ATOM 330 CG2 VAL X 21 25.184 -18.190 -4.756 1.00 0.00 C ATOM 0 H VAL X 21 22.517 -16.045 -6.640 1.00 0.00 H new ATOM 0 HA VAL X 21 24.795 -15.311 -4.959 1.00 0.00 H new ATOM 0 HB VAL X 21 23.493 -17.053 -4.064 1.00 0.00 H new ATOM 0 HG11 VAL X 21 22.667 -18.974 -5.412 1.00 0.00 H new ATOM 0 HG12 VAL X 21 22.090 -17.426 -6.074 1.00 0.00 H new ATOM 0 HG13 VAL X 21 23.437 -18.283 -6.860 1.00 0.00 H new ATOM 0 HG21 VAL X 21 24.865 -19.110 -4.267 1.00 0.00 H new ATOM 0 HG22 VAL X 21 25.667 -18.431 -5.703 1.00 0.00 H new ATOM 0 HG23 VAL X 21 25.889 -17.663 -4.113 1.00 0.00 H new ATOM 340 N ASP X 22 25.042 -16.758 -7.910 1.00 0.00 N ATOM 341 CA ASP X 22 25.981 -17.090 -8.986 1.00 0.00 C ATOM 342 C ASP X 22 25.968 -16.036 -10.081 1.00 0.00 C ATOM 343 O ASP X 22 24.962 -15.366 -10.311 1.00 0.00 O ATOM 344 CB ASP X 22 25.621 -18.441 -9.596 1.00 0.00 C ATOM 345 CG ASP X 22 25.682 -19.528 -8.529 1.00 0.00 C ATOM 346 OD1 ASP X 22 26.633 -19.528 -7.765 1.00 0.00 O ATOM 347 OD2 ASP X 22 24.777 -20.347 -8.493 1.00 0.00 O ATOM 0 H ASP X 22 24.062 -16.929 -8.134 1.00 0.00 H new ATOM 0 HA ASP X 22 26.979 -17.129 -8.550 1.00 0.00 H new ATOM 0 HB2 ASP X 22 24.621 -18.399 -10.028 1.00 0.00 H new ATOM 0 HB3 ASP X 22 26.309 -18.678 -10.408 1.00 0.00 H new ATOM 352 N ALA X 23 27.103 -15.904 -10.754 1.00 0.00 N ATOM 353 CA ALA X 23 27.241 -14.938 -11.837 1.00 0.00 C ATOM 354 C ALA X 23 26.506 -15.415 -13.089 1.00 0.00 C ATOM 355 O ALA X 23 25.919 -14.616 -13.819 1.00 0.00 O ATOM 356 CB ALA X 23 28.725 -14.732 -12.155 1.00 0.00 C ATOM 0 H ALA X 23 27.942 -16.454 -10.569 1.00 0.00 H new ATOM 0 HA ALA X 23 26.799 -13.994 -11.518 1.00 0.00 H new ATOM 0 HB1 ALA X 23 28.827 -14.010 -12.965 1.00 0.00 H new ATOM 0 HB2 ALA X 23 29.239 -14.359 -11.269 1.00 0.00 H new ATOM 0 HB3 ALA X 23 29.167 -15.681 -12.458 1.00 0.00 H new ATOM 362 N ALA X 24 26.556 -16.721 -13.337 1.00 0.00 N ATOM 363 CA ALA X 24 25.907 -17.295 -14.513 1.00 0.00 C ATOM 364 C ALA X 24 24.369 -17.258 -14.380 1.00 0.00 C ATOM 365 O ALA X 24 23.672 -17.012 -15.365 1.00 0.00 O ATOM 366 CB ALA X 24 26.371 -18.742 -14.716 1.00 0.00 C ATOM 0 H ALA X 24 27.036 -17.398 -12.744 1.00 0.00 H new ATOM 0 HA ALA X 24 26.191 -16.695 -15.377 1.00 0.00 H new ATOM 0 HB1 ALA X 24 25.882 -19.161 -15.595 1.00 0.00 H new ATOM 0 HB2 ALA X 24 27.451 -18.761 -14.859 1.00 0.00 H new ATOM 0 HB3 ALA X 24 26.110 -19.334 -13.839 1.00 0.00 H new ATOM 372 N THR X 25 23.837 -17.504 -13.169 1.00 0.00 N ATOM 373 CA THR X 25 22.388 -17.489 -12.971 1.00 0.00 C ATOM 374 C THR X 25 21.834 -16.072 -13.148 1.00 0.00 C ATOM 375 O THR X 25 20.689 -15.891 -13.561 1.00 0.00 O ATOM 376 CB THR X 25 22.026 -18.055 -11.577 1.00 0.00 C ATOM 377 OG1 THR X 25 20.731 -18.631 -11.635 1.00 0.00 O ATOM 378 CG2 THR X 25 22.038 -16.954 -10.499 1.00 0.00 C ATOM 0 H THR X 25 24.381 -17.711 -12.332 1.00 0.00 H new ATOM 0 HA THR X 25 21.929 -18.127 -13.726 1.00 0.00 H new ATOM 0 HB THR X 25 22.771 -18.804 -11.308 1.00 0.00 H new ATOM 0 HG1 THR X 25 20.495 -18.993 -10.756 1.00 0.00 H new ATOM 0 HG21 THR X 25 21.779 -17.388 -9.533 1.00 0.00 H new ATOM 0 HG22 THR X 25 23.032 -16.510 -10.443 1.00 0.00 H new ATOM 0 HG23 THR X 25 21.311 -16.184 -10.757 1.00 0.00 H new ATOM 386 N ALA X 26 22.656 -15.073 -12.832 1.00 0.00 N ATOM 387 CA ALA X 26 22.239 -13.681 -12.960 1.00 0.00 C ATOM 388 C ALA X 26 22.049 -13.313 -14.429 1.00 0.00 C ATOM 389 O ALA X 26 21.160 -12.535 -14.775 1.00 0.00 O ATOM 390 CB ALA X 26 23.288 -12.764 -12.324 1.00 0.00 C ATOM 0 H ALA X 26 23.608 -15.201 -12.488 1.00 0.00 H new ATOM 0 HA ALA X 26 21.288 -13.552 -12.444 1.00 0.00 H new ATOM 0 HB1 ALA X 26 22.971 -11.726 -12.423 1.00 0.00 H new ATOM 0 HB2 ALA X 26 23.396 -13.012 -11.268 1.00 0.00 H new ATOM 0 HB3 ALA X 26 24.245 -12.901 -12.828 1.00 0.00 H new ATOM 396 N GLU X 27 22.895 -13.875 -15.284 1.00 0.00 N ATOM 397 CA GLU X 27 22.825 -13.603 -16.718 1.00 0.00 C ATOM 398 C GLU X 27 21.451 -13.981 -17.270 1.00 0.00 C ATOM 399 O GLU X 27 20.981 -13.388 -18.234 1.00 0.00 O ATOM 400 CB GLU X 27 23.956 -14.371 -17.456 1.00 0.00 C ATOM 401 CG GLU X 27 23.410 -15.579 -18.241 1.00 0.00 C ATOM 402 CD GLU X 27 24.555 -16.435 -18.765 1.00 0.00 C ATOM 403 OE1 GLU X 27 25.679 -16.208 -18.344 1.00 0.00 O ATOM 404 OE2 GLU X 27 24.294 -17.308 -19.577 1.00 0.00 O ATOM 0 H GLU X 27 23.636 -14.521 -15.012 1.00 0.00 H new ATOM 0 HA GLU X 27 22.967 -12.535 -16.885 1.00 0.00 H new ATOM 0 HB2 GLU X 27 24.468 -13.694 -18.140 1.00 0.00 H new ATOM 0 HB3 GLU X 27 24.696 -14.712 -16.732 1.00 0.00 H new ATOM 0 HG2 GLU X 27 22.766 -16.178 -17.597 1.00 0.00 H new ATOM 0 HG3 GLU X 27 22.797 -15.233 -19.073 1.00 0.00 H new ATOM 411 N LYS X 28 20.824 -14.980 -16.666 1.00 0.00 N ATOM 412 CA LYS X 28 19.519 -15.426 -17.137 1.00 0.00 C ATOM 413 C LYS X 28 18.531 -14.268 -17.121 1.00 0.00 C ATOM 414 O LYS X 28 17.719 -14.120 -18.034 1.00 0.00 O ATOM 415 CB LYS X 28 18.997 -16.560 -16.250 1.00 0.00 C ATOM 416 CG LYS X 28 19.945 -17.762 -16.334 1.00 0.00 C ATOM 417 CD LYS X 28 19.226 -19.028 -15.846 1.00 0.00 C ATOM 418 CE LYS X 28 18.640 -18.786 -14.441 1.00 0.00 C ATOM 419 NZ LYS X 28 18.206 -20.102 -13.814 1.00 0.00 N ATOM 0 H LYS X 28 21.189 -15.491 -15.862 1.00 0.00 H new ATOM 0 HA LYS X 28 19.625 -15.791 -18.159 1.00 0.00 H new ATOM 0 HB2 LYS X 28 18.917 -16.219 -15.218 1.00 0.00 H new ATOM 0 HB3 LYS X 28 17.996 -16.852 -16.568 1.00 0.00 H new ATOM 0 HG2 LYS X 28 20.284 -17.898 -17.361 1.00 0.00 H new ATOM 0 HG3 LYS X 28 20.832 -17.580 -15.727 1.00 0.00 H new ATOM 0 HD2 LYS X 28 18.430 -19.296 -16.541 1.00 0.00 H new ATOM 0 HD3 LYS X 28 19.923 -19.866 -15.820 1.00 0.00 H new ATOM 0 HE2 LYS X 28 19.384 -18.302 -13.808 1.00 0.00 H new ATOM 0 HE3 LYS X 28 17.788 -18.109 -14.507 1.00 0.00 H new ATOM 0 HZ1 LYS X 28 17.813 -19.923 -12.868 1.00 0.00 H new ATOM 0 HZ2 LYS X 28 17.481 -20.549 -14.411 1.00 0.00 H new ATOM 0 HZ3 LYS X 28 19.027 -20.736 -13.734 1.00 0.00 H new ATOM 433 N VAL X 29 18.612 -13.444 -16.086 1.00 0.00 N ATOM 434 CA VAL X 29 17.726 -12.294 -15.975 1.00 0.00 C ATOM 435 C VAL X 29 18.079 -11.242 -17.025 1.00 0.00 C ATOM 436 O VAL X 29 17.213 -10.775 -17.760 1.00 0.00 O ATOM 437 CB VAL X 29 17.838 -11.681 -14.578 1.00 0.00 C ATOM 438 CG1 VAL X 29 16.715 -10.662 -14.377 1.00 0.00 C ATOM 439 CG2 VAL X 29 17.716 -12.786 -13.526 1.00 0.00 C ATOM 0 H VAL X 29 19.275 -13.548 -15.318 1.00 0.00 H new ATOM 0 HA VAL X 29 16.703 -12.630 -16.143 1.00 0.00 H new ATOM 0 HB VAL X 29 18.803 -11.184 -14.475 1.00 0.00 H new ATOM 0 HG11 VAL X 29 16.794 -10.225 -13.382 1.00 0.00 H new ATOM 0 HG12 VAL X 29 16.799 -9.875 -15.127 1.00 0.00 H new ATOM 0 HG13 VAL X 29 15.750 -11.159 -14.479 1.00 0.00 H new ATOM 0 HG21 VAL X 29 17.796 -12.351 -12.530 1.00 0.00 H new ATOM 0 HG22 VAL X 29 16.751 -13.282 -13.629 1.00 0.00 H new ATOM 0 HG23 VAL X 29 18.515 -13.514 -13.669 1.00 0.00 H new ATOM 449 N PHE X 30 19.356 -10.874 -17.080 1.00 0.00 N ATOM 450 CA PHE X 30 19.826 -9.869 -18.028 1.00 0.00 C ATOM 451 C PHE X 30 19.671 -10.336 -19.477 1.00 0.00 C ATOM 452 O PHE X 30 19.255 -9.561 -20.337 1.00 0.00 O ATOM 453 CB PHE X 30 21.301 -9.535 -17.769 1.00 0.00 C ATOM 454 CG PHE X 30 21.495 -8.986 -16.365 1.00 0.00 C ATOM 455 CD1 PHE X 30 20.788 -7.849 -15.937 1.00 0.00 C ATOM 456 CD2 PHE X 30 22.400 -9.608 -15.490 1.00 0.00 C ATOM 457 CE1 PHE X 30 20.985 -7.346 -14.647 1.00 0.00 C ATOM 458 CE2 PHE X 30 22.593 -9.100 -14.202 1.00 0.00 C ATOM 459 CZ PHE X 30 21.885 -7.970 -13.781 1.00 0.00 C ATOM 0 H PHE X 30 20.085 -11.258 -16.478 1.00 0.00 H new ATOM 0 HA PHE X 30 19.211 -8.981 -17.881 1.00 0.00 H new ATOM 0 HB2 PHE X 30 21.909 -10.430 -17.901 1.00 0.00 H new ATOM 0 HB3 PHE X 30 21.646 -8.804 -18.500 1.00 0.00 H new ATOM 0 HD1 PHE X 30 20.092 -7.363 -16.605 1.00 0.00 H new ATOM 0 HD2 PHE X 30 22.948 -10.481 -15.813 1.00 0.00 H new ATOM 0 HE1 PHE X 30 20.440 -6.473 -14.320 1.00 0.00 H new ATOM 0 HE2 PHE X 30 23.290 -9.581 -13.531 1.00 0.00 H new ATOM 0 HZ PHE X 30 22.034 -7.580 -12.785 1.00 0.00 H new ATOM 469 N LYS X 31 20.013 -11.593 -19.751 1.00 0.00 N ATOM 470 CA LYS X 31 19.903 -12.105 -21.112 1.00 0.00 C ATOM 471 C LYS X 31 18.452 -12.060 -21.593 1.00 0.00 C ATOM 472 O LYS X 31 18.170 -11.573 -22.688 1.00 0.00 O ATOM 473 CB LYS X 31 20.432 -13.546 -21.184 1.00 0.00 C ATOM 474 CG LYS X 31 20.836 -13.889 -22.638 1.00 0.00 C ATOM 475 CD LYS X 31 22.342 -13.640 -22.854 1.00 0.00 C ATOM 476 CE LYS X 31 23.143 -14.870 -22.411 1.00 0.00 C ATOM 477 NZ LYS X 31 24.596 -14.545 -22.419 1.00 0.00 N ATOM 0 H LYS X 31 20.361 -12.262 -19.064 1.00 0.00 H new ATOM 0 HA LYS X 31 20.505 -11.471 -21.763 1.00 0.00 H new ATOM 0 HB2 LYS X 31 21.291 -13.660 -20.523 1.00 0.00 H new ATOM 0 HB3 LYS X 31 19.667 -14.241 -20.837 1.00 0.00 H new ATOM 0 HG2 LYS X 31 20.600 -14.932 -22.851 1.00 0.00 H new ATOM 0 HG3 LYS X 31 20.258 -13.282 -23.335 1.00 0.00 H new ATOM 0 HD2 LYS X 31 22.537 -13.427 -23.905 1.00 0.00 H new ATOM 0 HD3 LYS X 31 22.660 -12.765 -22.287 1.00 0.00 H new ATOM 0 HE2 LYS X 31 22.834 -15.178 -21.412 1.00 0.00 H new ATOM 0 HE3 LYS X 31 22.943 -15.708 -23.079 1.00 0.00 H new ATOM 0 HZ1 LYS X 31 25.140 -15.379 -22.119 1.00 0.00 H new ATOM 0 HZ2 LYS X 31 24.885 -14.271 -23.380 1.00 0.00 H new ATOM 0 HZ3 LYS X 31 24.779 -13.758 -21.764 1.00 0.00 H new ATOM 491 N GLN X 32 17.541 -12.572 -20.773 1.00 0.00 N ATOM 492 CA GLN X 32 16.128 -12.588 -21.130 1.00 0.00 C ATOM 493 C GLN X 32 15.529 -11.186 -21.040 1.00 0.00 C ATOM 494 O GLN X 32 14.701 -10.801 -21.866 1.00 0.00 O ATOM 495 CB GLN X 32 15.372 -13.528 -20.195 1.00 0.00 C ATOM 496 CG GLN X 32 15.825 -14.969 -20.445 1.00 0.00 C ATOM 497 CD GLN X 32 15.162 -15.905 -19.440 1.00 0.00 C ATOM 498 OE1 GLN X 32 15.291 -15.710 -18.231 1.00 0.00 O ATOM 499 NE2 GLN X 32 14.452 -16.926 -19.872 1.00 0.00 N ATOM 0 H GLN X 32 17.754 -12.979 -19.862 1.00 0.00 H new ATOM 0 HA GLN X 32 16.036 -12.939 -22.158 1.00 0.00 H new ATOM 0 HB2 GLN X 32 15.557 -13.252 -19.157 1.00 0.00 H new ATOM 0 HB3 GLN X 32 14.299 -13.439 -20.362 1.00 0.00 H new ATOM 0 HG2 GLN X 32 15.566 -15.270 -21.460 1.00 0.00 H new ATOM 0 HG3 GLN X 32 16.909 -15.038 -20.359 1.00 0.00 H new ATOM 0 HE21 GLN X 32 14.346 -17.086 -20.874 1.00 0.00 H new ATOM 0 HE22 GLN X 32 14.008 -17.557 -19.205 1.00 0.00 H new ATOM 508 N TYR X 33 15.951 -10.431 -20.032 1.00 0.00 N ATOM 509 CA TYR X 33 15.450 -9.081 -19.840 1.00 0.00 C ATOM 510 C TYR X 33 15.800 -8.202 -21.037 1.00 0.00 C ATOM 511 O TYR X 33 15.017 -7.343 -21.443 1.00 0.00 O ATOM 512 CB TYR X 33 16.070 -8.490 -18.576 1.00 0.00 C ATOM 513 CG TYR X 33 15.730 -7.025 -18.488 1.00 0.00 C ATOM 514 CD1 TYR X 33 14.500 -6.623 -17.955 1.00 0.00 C ATOM 515 CD2 TYR X 33 16.647 -6.065 -18.936 1.00 0.00 C ATOM 516 CE1 TYR X 33 14.185 -5.262 -17.869 1.00 0.00 C ATOM 517 CE2 TYR X 33 16.332 -4.704 -18.852 1.00 0.00 C ATOM 518 CZ TYR X 33 15.100 -4.303 -18.319 1.00 0.00 C ATOM 519 OH TYR X 33 14.791 -2.960 -18.235 1.00 0.00 O ATOM 0 H TYR X 33 16.636 -10.732 -19.339 1.00 0.00 H new ATOM 0 HA TYR X 33 14.365 -9.118 -19.742 1.00 0.00 H new ATOM 0 HB2 TYR X 33 15.698 -9.014 -17.696 1.00 0.00 H new ATOM 0 HB3 TYR X 33 17.152 -8.623 -18.592 1.00 0.00 H new ATOM 0 HD1 TYR X 33 13.793 -7.363 -17.610 1.00 0.00 H new ATOM 0 HD2 TYR X 33 17.597 -6.375 -19.346 1.00 0.00 H new ATOM 0 HE1 TYR X 33 13.237 -4.952 -17.456 1.00 0.00 H new ATOM 0 HE2 TYR X 33 17.038 -3.963 -19.198 1.00 0.00 H new ATOM 0 HH TYR X 33 14.018 -2.766 -18.805 1.00 0.00 H new ATOM 529 N ALA X 34 16.986 -8.415 -21.586 1.00 0.00 N ATOM 530 CA ALA X 34 17.444 -7.632 -22.725 1.00 0.00 C ATOM 531 C ALA X 34 16.477 -7.791 -23.907 1.00 0.00 C ATOM 532 O ALA X 34 16.209 -6.827 -24.626 1.00 0.00 O ATOM 533 CB ALA X 34 18.850 -8.091 -23.130 1.00 0.00 C ATOM 0 H ALA X 34 17.648 -9.121 -21.263 1.00 0.00 H new ATOM 0 HA ALA X 34 17.475 -6.579 -22.443 1.00 0.00 H new ATOM 0 HB1 ALA X 34 19.193 -7.505 -23.983 1.00 0.00 H new ATOM 0 HB2 ALA X 34 19.534 -7.949 -22.293 1.00 0.00 H new ATOM 0 HB3 ALA X 34 18.824 -9.146 -23.402 1.00 0.00 H new ATOM 539 N ASN X 35 15.948 -9.001 -24.101 1.00 0.00 N ATOM 540 CA ASN X 35 15.012 -9.239 -25.193 1.00 0.00 C ATOM 541 C ASN X 35 13.777 -8.355 -25.003 1.00 0.00 C ATOM 542 O ASN X 35 13.333 -7.681 -25.932 1.00 0.00 O ATOM 543 CB ASN X 35 14.601 -10.731 -25.233 1.00 0.00 C ATOM 544 CG ASN X 35 15.538 -11.535 -26.150 1.00 0.00 C ATOM 545 OD1 ASN X 35 16.573 -11.024 -26.578 1.00 0.00 O ATOM 546 ND2 ASN X 35 15.233 -12.767 -26.477 1.00 0.00 N ATOM 0 H ASN X 35 16.150 -9.818 -23.524 1.00 0.00 H new ATOM 0 HA ASN X 35 15.492 -8.990 -26.139 1.00 0.00 H new ATOM 0 HB2 ASN X 35 14.627 -11.146 -24.226 1.00 0.00 H new ATOM 0 HB3 ASN X 35 13.574 -10.820 -25.588 1.00 0.00 H new ATOM 0 HD21 ASN X 35 15.853 -13.302 -27.086 1.00 0.00 H new ATOM 0 HD22 ASN X 35 14.376 -13.191 -26.123 1.00 0.00 H new ATOM 553 N ASP X 36 13.233 -8.364 -23.788 1.00 0.00 N ATOM 554 CA ASP X 36 12.059 -7.563 -23.475 1.00 0.00 C ATOM 555 C ASP X 36 12.383 -6.071 -23.530 1.00 0.00 C ATOM 556 O ASP X 36 11.495 -5.242 -23.728 1.00 0.00 O ATOM 557 CB ASP X 36 11.547 -7.926 -22.079 1.00 0.00 C ATOM 558 CG ASP X 36 11.645 -9.432 -21.871 1.00 0.00 C ATOM 559 OD1 ASP X 36 11.362 -10.159 -22.809 1.00 0.00 O ATOM 560 OD2 ASP X 36 12.004 -9.837 -20.778 1.00 0.00 O ATOM 0 H ASP X 36 13.588 -8.917 -23.008 1.00 0.00 H new ATOM 0 HA ASP X 36 11.290 -7.775 -24.218 1.00 0.00 H new ATOM 0 HB2 ASP X 36 12.132 -7.406 -21.320 1.00 0.00 H new ATOM 0 HB3 ASP X 36 10.513 -7.600 -21.964 1.00 0.00 H new ATOM 565 N ASN X 37 13.657 -5.732 -23.333 1.00 0.00 N ATOM 566 CA ASN X 37 14.076 -4.333 -23.341 1.00 0.00 C ATOM 567 C ASN X 37 14.409 -3.866 -24.767 1.00 0.00 C ATOM 568 O ASN X 37 14.289 -2.681 -25.076 1.00 0.00 O ATOM 569 CB ASN X 37 15.300 -4.184 -22.409 1.00 0.00 C ATOM 570 CG ASN X 37 14.919 -3.450 -21.123 1.00 0.00 C ATOM 571 OD1 ASN X 37 13.860 -3.708 -20.550 1.00 0.00 O ATOM 572 ND2 ASN X 37 15.724 -2.542 -20.638 1.00 0.00 N ATOM 0 H ASN X 37 14.409 -6.401 -23.168 1.00 0.00 H new ATOM 0 HA ASN X 37 13.262 -3.704 -22.981 1.00 0.00 H new ATOM 0 HB2 ASN X 37 15.699 -5.169 -22.166 1.00 0.00 H new ATOM 0 HB3 ASN X 37 16.090 -3.638 -22.924 1.00 0.00 H new ATOM 0 HD21 ASN X 37 15.476 -2.045 -19.783 1.00 0.00 H new ATOM 0 HD22 ASN X 37 16.601 -2.330 -21.115 1.00 0.00 H new ATOM 579 N GLY X 38 14.798 -4.800 -25.638 1.00 0.00 N ATOM 580 CA GLY X 38 15.110 -4.462 -27.032 1.00 0.00 C ATOM 581 C GLY X 38 16.613 -4.483 -27.319 1.00 0.00 C ATOM 582 O GLY X 38 17.029 -4.877 -28.408 1.00 0.00 O ATOM 0 H GLY X 38 14.904 -5.788 -25.408 1.00 0.00 H new ATOM 0 HA2 GLY X 38 14.607 -5.167 -27.694 1.00 0.00 H new ATOM 0 HA3 GLY X 38 14.714 -3.472 -27.260 1.00 0.00 H new ATOM 586 N VAL X 39 17.431 -4.046 -26.360 1.00 0.00 N ATOM 587 CA VAL X 39 18.882 -4.019 -26.573 1.00 0.00 C ATOM 588 C VAL X 39 19.491 -5.407 -26.371 1.00 0.00 C ATOM 589 O VAL X 39 19.604 -5.892 -25.248 1.00 0.00 O ATOM 590 CB VAL X 39 19.549 -2.995 -25.627 1.00 0.00 C ATOM 591 CG1 VAL X 39 19.113 -3.227 -24.178 1.00 0.00 C ATOM 592 CG2 VAL X 39 21.074 -3.123 -25.711 1.00 0.00 C ATOM 0 H VAL X 39 17.124 -3.712 -25.446 1.00 0.00 H new ATOM 0 HA VAL X 39 19.067 -3.714 -27.603 1.00 0.00 H new ATOM 0 HB VAL X 39 19.239 -1.997 -25.938 1.00 0.00 H new ATOM 0 HG11 VAL X 39 19.595 -2.494 -23.531 1.00 0.00 H new ATOM 0 HG12 VAL X 39 18.031 -3.121 -24.102 1.00 0.00 H new ATOM 0 HG13 VAL X 39 19.402 -4.231 -23.867 1.00 0.00 H new ATOM 0 HG21 VAL X 39 21.537 -2.398 -25.042 1.00 0.00 H new ATOM 0 HG22 VAL X 39 21.371 -4.130 -25.418 1.00 0.00 H new ATOM 0 HG23 VAL X 39 21.399 -2.932 -26.734 1.00 0.00 H new ATOM 602 N ASP X 40 19.896 -6.031 -27.481 1.00 0.00 N ATOM 603 CA ASP X 40 20.514 -7.365 -27.445 1.00 0.00 C ATOM 604 C ASP X 40 21.841 -7.346 -28.213 1.00 0.00 C ATOM 605 O ASP X 40 21.842 -7.214 -29.436 1.00 0.00 O ATOM 606 CB ASP X 40 19.562 -8.392 -28.075 1.00 0.00 C ATOM 607 CG ASP X 40 19.930 -9.807 -27.635 1.00 0.00 C ATOM 608 OD1 ASP X 40 20.910 -10.328 -28.143 1.00 0.00 O ATOM 609 OD2 ASP X 40 19.227 -10.348 -26.798 1.00 0.00 O ATOM 0 H ASP X 40 19.808 -5.636 -28.417 1.00 0.00 H new ATOM 0 HA ASP X 40 20.708 -7.643 -26.409 1.00 0.00 H new ATOM 0 HB2 ASP X 40 18.535 -8.170 -27.784 1.00 0.00 H new ATOM 0 HB3 ASP X 40 19.608 -8.320 -29.162 1.00 0.00 H new ATOM 614 N GLY X 41 22.971 -7.474 -27.504 1.00 0.00 N ATOM 615 CA GLY X 41 24.281 -7.458 -28.171 1.00 0.00 C ATOM 616 C GLY X 41 25.257 -8.454 -27.539 1.00 0.00 C ATOM 617 O GLY X 41 24.844 -9.437 -26.925 1.00 0.00 O ATOM 0 H GLY X 41 23.007 -7.587 -26.491 1.00 0.00 H new ATOM 0 HA2 GLY X 41 24.153 -7.696 -29.227 1.00 0.00 H new ATOM 0 HA3 GLY X 41 24.702 -6.454 -28.119 1.00 0.00 H new ATOM 621 N GLU X 42 26.562 -8.191 -27.699 1.00 0.00 N ATOM 622 CA GLU X 42 27.577 -9.063 -27.150 1.00 0.00 C ATOM 623 C GLU X 42 27.677 -8.867 -25.641 1.00 0.00 C ATOM 624 O GLU X 42 27.696 -7.738 -25.153 1.00 0.00 O ATOM 625 CB GLU X 42 28.930 -8.774 -27.807 1.00 0.00 C ATOM 626 CG GLU X 42 28.720 -8.502 -29.298 1.00 0.00 C ATOM 627 CD GLU X 42 30.063 -8.487 -30.020 1.00 0.00 C ATOM 628 OE1 GLU X 42 30.812 -7.545 -29.817 1.00 0.00 O ATOM 629 OE2 GLU X 42 30.324 -9.418 -30.765 1.00 0.00 O ATOM 0 H GLU X 42 26.925 -7.382 -28.204 1.00 0.00 H new ATOM 0 HA GLU X 42 27.299 -10.097 -27.353 1.00 0.00 H new ATOM 0 HB2 GLU X 42 29.402 -7.914 -27.332 1.00 0.00 H new ATOM 0 HB3 GLU X 42 29.602 -9.622 -27.671 1.00 0.00 H new ATOM 0 HG2 GLU X 42 28.075 -9.268 -29.728 1.00 0.00 H new ATOM 0 HG3 GLU X 42 28.214 -7.546 -29.434 1.00 0.00 H new ATOM 636 N TRP X 43 27.717 -9.978 -24.911 1.00 0.00 N ATOM 637 CA TRP X 43 27.781 -9.938 -23.451 1.00 0.00 C ATOM 638 C TRP X 43 29.199 -10.138 -22.940 1.00 0.00 C ATOM 639 O TRP X 43 30.078 -10.619 -23.655 1.00 0.00 O ATOM 640 CB TRP X 43 26.884 -11.031 -22.875 1.00 0.00 C ATOM 641 CG TRP X 43 25.455 -10.682 -23.149 1.00 0.00 C ATOM 642 CD1 TRP X 43 24.770 -11.006 -24.273 1.00 0.00 C ATOM 643 CD2 TRP X 43 24.531 -9.946 -22.307 1.00 0.00 C ATOM 644 NE1 TRP X 43 23.487 -10.499 -24.175 1.00 0.00 N ATOM 645 CE2 TRP X 43 23.291 -9.844 -22.978 1.00 0.00 C ATOM 646 CE3 TRP X 43 24.648 -9.361 -21.037 1.00 0.00 C ATOM 647 CZ2 TRP X 43 22.207 -9.182 -22.410 1.00 0.00 C ATOM 648 CZ3 TRP X 43 23.559 -8.695 -20.460 1.00 0.00 C ATOM 649 CH2 TRP X 43 22.339 -8.605 -21.146 1.00 0.00 C ATOM 0 H TRP X 43 27.706 -10.918 -25.306 1.00 0.00 H new ATOM 0 HA TRP X 43 27.442 -8.953 -23.130 1.00 0.00 H new ATOM 0 HB2 TRP X 43 27.129 -11.994 -23.323 1.00 0.00 H new ATOM 0 HB3 TRP X 43 27.049 -11.127 -21.802 1.00 0.00 H new ATOM 0 HD1 TRP X 43 25.162 -11.568 -25.108 1.00 0.00 H new ATOM 0 HE1 TRP X 43 22.775 -10.597 -24.898 1.00 0.00 H new ATOM 0 HE3 TRP X 43 25.583 -9.425 -20.501 1.00 0.00 H new ATOM 0 HZ2 TRP X 43 21.270 -9.115 -22.943 1.00 0.00 H new ATOM 0 HZ3 TRP X 43 23.659 -8.248 -19.482 1.00 0.00 H new ATOM 0 HH2 TRP X 43 21.503 -8.090 -20.697 1.00 0.00 H new ATOM 660 N THR X 44 29.398 -9.757 -21.687 1.00 0.00 N ATOM 661 CA THR X 44 30.697 -9.882 -21.036 1.00 0.00 C ATOM 662 C THR X 44 30.506 -9.922 -19.520 1.00 0.00 C ATOM 663 O THR X 44 29.422 -9.611 -19.024 1.00 0.00 O ATOM 664 CB THR X 44 31.584 -8.689 -21.418 1.00 0.00 C ATOM 665 OG1 THR X 44 32.764 -8.708 -20.627 1.00 0.00 O ATOM 666 CG2 THR X 44 30.827 -7.378 -21.174 1.00 0.00 C ATOM 0 H THR X 44 28.671 -9.355 -21.095 1.00 0.00 H new ATOM 0 HA THR X 44 31.179 -10.803 -21.363 1.00 0.00 H new ATOM 0 HB THR X 44 31.848 -8.759 -22.473 1.00 0.00 H new ATOM 0 HG1 THR X 44 33.333 -7.948 -20.870 1.00 0.00 H new ATOM 0 HG21 THR X 44 31.462 -6.535 -21.447 1.00 0.00 H new ATOM 0 HG22 THR X 44 29.922 -7.362 -21.781 1.00 0.00 H new ATOM 0 HG23 THR X 44 30.558 -7.304 -20.120 1.00 0.00 H new ATOM 674 N TYR X 45 31.548 -10.295 -18.776 1.00 0.00 N ATOM 675 CA TYR X 45 31.429 -10.347 -17.327 1.00 0.00 C ATOM 676 C TYR X 45 32.783 -10.469 -16.650 1.00 0.00 C ATOM 677 O TYR X 45 33.628 -11.269 -17.053 1.00 0.00 O ATOM 678 CB TYR X 45 30.564 -11.535 -16.910 1.00 0.00 C ATOM 679 CG TYR X 45 30.480 -11.589 -15.395 1.00 0.00 C ATOM 680 CD1 TYR X 45 29.838 -10.559 -14.700 1.00 0.00 C ATOM 681 CD2 TYR X 45 31.039 -12.666 -14.694 1.00 0.00 C ATOM 682 CE1 TYR X 45 29.754 -10.603 -13.304 1.00 0.00 C ATOM 683 CE2 TYR X 45 30.955 -12.709 -13.297 1.00 0.00 C ATOM 684 CZ TYR X 45 30.312 -11.677 -12.602 1.00 0.00 C ATOM 685 OH TYR X 45 30.229 -11.721 -11.225 1.00 0.00 O ATOM 0 H TYR X 45 32.461 -10.559 -19.146 1.00 0.00 H new ATOM 0 HA TYR X 45 30.966 -9.412 -17.012 1.00 0.00 H new ATOM 0 HB2 TYR X 45 29.566 -11.440 -17.338 1.00 0.00 H new ATOM 0 HB3 TYR X 45 30.989 -12.462 -17.295 1.00 0.00 H new ATOM 0 HD1 TYR X 45 29.407 -9.730 -15.241 1.00 0.00 H new ATOM 0 HD2 TYR X 45 31.534 -13.462 -15.231 1.00 0.00 H new ATOM 0 HE1 TYR X 45 29.258 -9.807 -12.768 1.00 0.00 H new ATOM 0 HE2 TYR X 45 31.386 -13.538 -12.755 1.00 0.00 H new ATOM 0 HH TYR X 45 30.666 -12.534 -10.897 1.00 0.00 H new ATOM 695 N ASP X 46 32.955 -9.698 -15.580 1.00 0.00 N ATOM 696 CA ASP X 46 34.177 -9.739 -14.791 1.00 0.00 C ATOM 697 C ASP X 46 33.807 -10.057 -13.337 1.00 0.00 C ATOM 698 O ASP X 46 33.182 -9.243 -12.659 1.00 0.00 O ATOM 699 CB ASP X 46 34.903 -8.392 -14.864 1.00 0.00 C ATOM 700 CG ASP X 46 36.057 -8.393 -13.870 1.00 0.00 C ATOM 701 OD1 ASP X 46 36.508 -9.469 -13.517 1.00 0.00 O ATOM 702 OD2 ASP X 46 36.474 -7.316 -13.476 1.00 0.00 O ATOM 0 H ASP X 46 32.258 -9.035 -15.240 1.00 0.00 H new ATOM 0 HA ASP X 46 34.843 -10.507 -15.184 1.00 0.00 H new ATOM 0 HB2 ASP X 46 35.277 -8.220 -15.874 1.00 0.00 H new ATOM 0 HB3 ASP X 46 34.212 -7.580 -14.637 1.00 0.00 H new ATOM 707 N ASP X 47 34.189 -11.245 -12.865 1.00 0.00 N ATOM 708 CA ASP X 47 33.881 -11.646 -11.498 1.00 0.00 C ATOM 709 C ASP X 47 34.642 -10.784 -10.498 1.00 0.00 C ATOM 710 O ASP X 47 34.321 -10.762 -9.310 1.00 0.00 O ATOM 711 CB ASP X 47 34.250 -13.117 -11.290 1.00 0.00 C ATOM 712 CG ASP X 47 33.876 -13.555 -9.879 1.00 0.00 C ATOM 713 OD1 ASP X 47 34.641 -13.277 -8.970 1.00 0.00 O ATOM 714 OD2 ASP X 47 32.827 -14.162 -9.727 1.00 0.00 O ATOM 0 H ASP X 47 34.707 -11.938 -13.406 1.00 0.00 H new ATOM 0 HA ASP X 47 32.812 -11.511 -11.334 1.00 0.00 H new ATOM 0 HB2 ASP X 47 33.732 -13.737 -12.021 1.00 0.00 H new ATOM 0 HB3 ASP X 47 35.319 -13.259 -11.452 1.00 0.00 H new ATOM 719 N ALA X 48 35.657 -10.079 -10.985 1.00 0.00 N ATOM 720 CA ALA X 48 36.464 -9.222 -10.123 1.00 0.00 C ATOM 721 C ALA X 48 35.753 -7.893 -9.844 1.00 0.00 C ATOM 722 O ALA X 48 36.104 -7.186 -8.898 1.00 0.00 O ATOM 723 CB ALA X 48 37.815 -8.946 -10.784 1.00 0.00 C ATOM 0 H ALA X 48 35.940 -10.083 -11.965 1.00 0.00 H new ATOM 0 HA ALA X 48 36.614 -9.740 -9.176 1.00 0.00 H new ATOM 0 HB1 ALA X 48 38.413 -8.306 -10.136 1.00 0.00 H new ATOM 0 HB2 ALA X 48 38.339 -9.888 -10.948 1.00 0.00 H new ATOM 0 HB3 ALA X 48 37.657 -8.448 -11.740 1.00 0.00 H new ATOM 729 N THR X 49 34.755 -7.550 -10.671 1.00 0.00 N ATOM 730 CA THR X 49 34.012 -6.294 -10.499 1.00 0.00 C ATOM 731 C THR X 49 32.503 -6.559 -10.471 1.00 0.00 C ATOM 732 O THR X 49 31.709 -5.622 -10.383 1.00 0.00 O ATOM 733 CB THR X 49 34.351 -5.315 -11.645 1.00 0.00 C ATOM 734 OG1 THR X 49 34.459 -6.040 -12.861 1.00 0.00 O ATOM 735 CG2 THR X 49 35.677 -4.603 -11.358 1.00 0.00 C ATOM 0 H THR X 49 34.446 -8.119 -11.459 1.00 0.00 H new ATOM 0 HA THR X 49 34.306 -5.848 -9.549 1.00 0.00 H new ATOM 0 HB THR X 49 33.559 -4.570 -11.725 1.00 0.00 H new ATOM 0 HG1 THR X 49 35.398 -6.076 -13.138 1.00 0.00 H new ATOM 0 HG21 THR X 49 35.905 -3.916 -12.173 1.00 0.00 H new ATOM 0 HG22 THR X 49 35.596 -4.045 -10.425 1.00 0.00 H new ATOM 0 HG23 THR X 49 36.475 -5.341 -11.272 1.00 0.00 H new ATOM 743 N LYS X 50 32.109 -7.836 -10.544 1.00 0.00 N ATOM 744 CA LYS X 50 30.692 -8.195 -10.526 1.00 0.00 C ATOM 745 C LYS X 50 29.871 -7.201 -11.352 1.00 0.00 C ATOM 746 O LYS X 50 28.925 -6.597 -10.846 1.00 0.00 O ATOM 747 CB LYS X 50 30.169 -8.205 -9.085 1.00 0.00 C ATOM 748 CG LYS X 50 31.153 -8.941 -8.168 1.00 0.00 C ATOM 749 CD LYS X 50 31.222 -10.419 -8.565 1.00 0.00 C ATOM 750 CE LYS X 50 31.904 -11.222 -7.455 1.00 0.00 C ATOM 751 NZ LYS X 50 31.788 -12.678 -7.755 1.00 0.00 N ATOM 0 H LYS X 50 32.747 -8.629 -10.615 1.00 0.00 H new ATOM 0 HA LYS X 50 30.589 -9.189 -10.961 1.00 0.00 H new ATOM 0 HB2 LYS X 50 30.029 -7.182 -8.734 1.00 0.00 H new ATOM 0 HB3 LYS X 50 29.194 -8.691 -9.048 1.00 0.00 H new ATOM 0 HG2 LYS X 50 32.142 -8.488 -8.242 1.00 0.00 H new ATOM 0 HG3 LYS X 50 30.836 -8.848 -7.129 1.00 0.00 H new ATOM 0 HD2 LYS X 50 30.218 -10.805 -8.741 1.00 0.00 H new ATOM 0 HD3 LYS X 50 31.774 -10.529 -9.498 1.00 0.00 H new ATOM 0 HE2 LYS X 50 32.953 -10.938 -7.378 1.00 0.00 H new ATOM 0 HE3 LYS X 50 31.442 -11.000 -6.493 1.00 0.00 H new ATOM 0 HZ1 LYS X 50 32.542 -13.196 -7.260 1.00 0.00 H new ATOM 0 HZ2 LYS X 50 30.862 -13.026 -7.434 1.00 0.00 H new ATOM 0 HZ3 LYS X 50 31.879 -12.830 -8.780 1.00 0.00 H new ATOM 765 N THR X 51 30.242 -7.029 -12.622 1.00 0.00 N ATOM 766 CA THR X 51 29.532 -6.093 -13.507 1.00 0.00 C ATOM 767 C THR X 51 29.340 -6.696 -14.906 1.00 0.00 C ATOM 768 O THR X 51 30.295 -7.179 -15.516 1.00 0.00 O ATOM 769 CB THR X 51 30.329 -4.782 -13.616 1.00 0.00 C ATOM 770 OG1 THR X 51 30.434 -4.185 -12.331 1.00 0.00 O ATOM 771 CG2 THR X 51 29.613 -3.818 -14.570 1.00 0.00 C ATOM 0 H THR X 51 31.022 -7.518 -13.061 1.00 0.00 H new ATOM 0 HA THR X 51 28.549 -5.895 -13.080 1.00 0.00 H new ATOM 0 HB THR X 51 31.325 -4.997 -14.002 1.00 0.00 H new ATOM 0 HG1 THR X 51 30.988 -4.750 -11.752 1.00 0.00 H new ATOM 0 HG21 THR X 51 30.181 -2.891 -14.644 1.00 0.00 H new ATOM 0 HG22 THR X 51 29.533 -4.275 -15.557 1.00 0.00 H new ATOM 0 HG23 THR X 51 28.615 -3.603 -14.188 1.00 0.00 H new ATOM 779 N PHE X 52 28.098 -6.656 -15.414 1.00 0.00 N ATOM 780 CA PHE X 52 27.792 -7.187 -16.740 1.00 0.00 C ATOM 781 C PHE X 52 27.541 -6.035 -17.708 1.00 0.00 C ATOM 782 O PHE X 52 27.135 -4.955 -17.291 1.00 0.00 O ATOM 783 CB PHE X 52 26.530 -8.048 -16.672 1.00 0.00 C ATOM 784 CG PHE X 52 26.793 -9.326 -15.919 1.00 0.00 C ATOM 785 CD1 PHE X 52 26.611 -9.378 -14.532 1.00 0.00 C ATOM 786 CD2 PHE X 52 27.190 -10.475 -16.614 1.00 0.00 C ATOM 787 CE1 PHE X 52 26.824 -10.579 -13.843 1.00 0.00 C ATOM 788 CE2 PHE X 52 27.408 -11.673 -15.924 1.00 0.00 C ATOM 789 CZ PHE X 52 27.223 -11.724 -14.539 1.00 0.00 C ATOM 0 H PHE X 52 27.295 -6.261 -14.924 1.00 0.00 H new ATOM 0 HA PHE X 52 28.635 -7.787 -17.083 1.00 0.00 H new ATOM 0 HB2 PHE X 52 25.730 -7.491 -16.184 1.00 0.00 H new ATOM 0 HB3 PHE X 52 26.187 -8.279 -17.681 1.00 0.00 H new ATOM 0 HD1 PHE X 52 26.307 -8.493 -13.993 1.00 0.00 H new ATOM 0 HD2 PHE X 52 27.328 -10.437 -17.684 1.00 0.00 H new ATOM 0 HE1 PHE X 52 26.680 -10.620 -12.773 1.00 0.00 H new ATOM 0 HE2 PHE X 52 27.719 -12.557 -16.461 1.00 0.00 H new ATOM 0 HZ PHE X 52 27.388 -12.649 -14.006 1.00 0.00 H new ATOM 799 N THR X 53 27.766 -6.264 -19.000 1.00 0.00 N ATOM 800 CA THR X 53 27.527 -5.216 -19.996 1.00 0.00 C ATOM 801 C THR X 53 27.174 -5.841 -21.349 1.00 0.00 C ATOM 802 O THR X 53 27.883 -6.723 -21.830 1.00 0.00 O ATOM 803 CB THR X 53 28.763 -4.313 -20.174 1.00 0.00 C ATOM 804 OG1 THR X 53 29.775 -5.029 -20.861 1.00 0.00 O ATOM 805 CG2 THR X 53 29.304 -3.848 -18.817 1.00 0.00 C ATOM 0 H THR X 53 28.107 -7.147 -19.379 1.00 0.00 H new ATOM 0 HA THR X 53 26.697 -4.609 -19.635 1.00 0.00 H new ATOM 0 HB THR X 53 28.468 -3.435 -20.749 1.00 0.00 H new ATOM 0 HG1 THR X 53 30.648 -4.820 -20.468 1.00 0.00 H new ATOM 0 HG21 THR X 53 30.176 -3.212 -18.971 1.00 0.00 H new ATOM 0 HG22 THR X 53 28.533 -3.285 -18.292 1.00 0.00 H new ATOM 0 HG23 THR X 53 29.588 -4.716 -18.222 1.00 0.00 H new ATOM 813 N VAL X 54 26.083 -5.371 -21.974 1.00 0.00 N ATOM 814 CA VAL X 54 25.673 -5.887 -23.288 1.00 0.00 C ATOM 815 C VAL X 54 25.822 -4.781 -24.336 1.00 0.00 C ATOM 816 O VAL X 54 25.278 -3.686 -24.180 1.00 0.00 O ATOM 817 CB VAL X 54 24.221 -6.380 -23.231 1.00 0.00 C ATOM 818 CG1 VAL X 54 23.278 -5.193 -23.021 1.00 0.00 C ATOM 819 CG2 VAL X 54 23.865 -7.098 -24.541 1.00 0.00 C ATOM 0 H VAL X 54 25.476 -4.644 -21.596 1.00 0.00 H new ATOM 0 HA VAL X 54 26.310 -6.728 -23.563 1.00 0.00 H new ATOM 0 HB VAL X 54 24.112 -7.076 -22.399 1.00 0.00 H new ATOM 0 HG11 VAL X 54 22.248 -5.549 -22.981 1.00 0.00 H new ATOM 0 HG12 VAL X 54 23.525 -4.693 -22.085 1.00 0.00 H new ATOM 0 HG13 VAL X 54 23.388 -4.491 -23.847 1.00 0.00 H new ATOM 0 HG21 VAL X 54 22.833 -7.446 -24.496 1.00 0.00 H new ATOM 0 HG22 VAL X 54 23.979 -6.408 -25.377 1.00 0.00 H new ATOM 0 HG23 VAL X 54 24.530 -7.950 -24.681 1.00 0.00 H new ATOM 829 N THR X 55 26.597 -5.060 -25.391 1.00 0.00 N ATOM 830 CA THR X 55 26.851 -4.071 -26.454 1.00 0.00 C ATOM 831 C THR X 55 26.491 -4.628 -27.839 1.00 0.00 C ATOM 832 O THR X 55 27.053 -5.633 -28.276 1.00 0.00 O ATOM 833 CB THR X 55 28.336 -3.647 -26.423 1.00 0.00 C ATOM 834 OG1 THR X 55 28.486 -2.425 -27.131 1.00 0.00 O ATOM 835 CG2 THR X 55 29.226 -4.720 -27.074 1.00 0.00 C ATOM 0 H THR X 55 27.059 -5.958 -25.534 1.00 0.00 H new ATOM 0 HA THR X 55 26.217 -3.203 -26.270 1.00 0.00 H new ATOM 0 HB THR X 55 28.642 -3.524 -25.384 1.00 0.00 H new ATOM 0 HG1 THR X 55 29.426 -2.150 -27.113 1.00 0.00 H new ATOM 0 HG21 THR X 55 30.267 -4.399 -27.040 1.00 0.00 H new ATOM 0 HG22 THR X 55 29.118 -5.660 -26.532 1.00 0.00 H new ATOM 0 HG23 THR X 55 28.924 -4.863 -28.112 1.00 0.00 H new ATOM 843 N GLU X 56 25.559 -3.959 -28.536 1.00 0.00 N ATOM 844 CA GLU X 56 25.145 -4.386 -29.876 1.00 0.00 C ATOM 845 C GLU X 56 25.710 -3.436 -30.928 1.00 0.00 C ATOM 846 O GLU X 56 26.830 -3.657 -31.359 1.00 0.00 O ATOM 847 CB GLU X 56 23.612 -4.416 -29.969 1.00 0.00 C ATOM 848 CG GLU X 56 23.025 -3.250 -29.175 1.00 0.00 C ATOM 849 CD GLU X 56 21.507 -3.234 -29.327 1.00 0.00 C ATOM 850 OE1 GLU X 56 20.960 -4.250 -29.723 1.00 0.00 O ATOM 851 OE2 GLU X 56 20.913 -2.206 -29.046 1.00 0.00 O ATOM 852 OXT GLU X 56 25.013 -2.500 -31.289 1.00 0.00 O ATOM 0 H GLU X 56 25.082 -3.125 -28.194 1.00 0.00 H new ATOM 0 HA GLU X 56 25.532 -5.388 -30.060 1.00 0.00 H new ATOM 0 HB2 GLU X 56 23.300 -4.352 -31.011 1.00 0.00 H new ATOM 0 HB3 GLU X 56 23.233 -5.361 -29.580 1.00 0.00 H new ATOM 0 HG2 GLU X 56 23.293 -3.343 -28.123 1.00 0.00 H new ATOM 0 HG3 GLU X 56 23.445 -2.309 -29.529 1.00 0.00 H new TER 859 GLU X 56