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 8 ASN : amide:sc= -0.54 K(o=-1,f=1.6) USER MOD Set 1.2: X 55 THR OG1 : rot 180:sc= -0.502 USER MOD Set 2.1: X 33 TYR OH : rot -63:sc= 0.414! USER MOD Set 2.2: X 37 ASN : amide:sc= -8.97! C(o=-8.6!,f=-6!) USER MOD Set 3.1: X 1 MET CE :methyl 172:sc= -3.35! (180deg=-1.21) USER MOD Set 3.2: X 3 TYR OH : rot 56:sc= -1.62! USER MOD Set 3.3: X 50 LYS NZ :NH3+ -176:sc= 0.139! (180deg=0.0502!) USER MOD Single : X 1 MET N :NH3+ -134:sc= 0.117 (180deg=0) USER MOD Single : X 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : X 4 LYS NZ :NH3+ 170:sc= -1.06 (180deg=-1.07) 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+ -164:sc= -15.2! (180deg=-16.4!) USER MOD Single : X 16 THR OG1 : rot -140:sc= -2.03 USER MOD Single : X 17 THR OG1 : rot 180:sc= 0 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= -2! C(o=-2!,f=-2.1!) USER MOD Single : X 35 ASN : amide:sc= -0.434 X(o=-0.43,f=-0.04) USER MOD Single : X 44 THR OG1 : rot 180:sc= -0.275 USER MOD Single : X 45 TYR OH : rot 64:sc= 0.203 USER MOD Single : X 49 THR OG1 : rot -109:sc= 0.252 USER MOD Single : X 51 THR OG1 : rot 75:sc= 1.2 USER MOD Single : X 53 THR OG1 : rot 180:sc= -2.93! USER MOD ----------------------------------------------------------------- ATOM 1 N MET X 1 25.746 -11.804 -3.140 1.00 0.00 N ATOM 2 CA MET X 1 26.432 -10.609 -3.713 1.00 0.00 C ATOM 3 C MET X 1 25.476 -9.910 -4.695 1.00 0.00 C ATOM 4 O MET X 1 24.320 -10.311 -4.831 1.00 0.00 O ATOM 5 CB MET X 1 27.764 -11.063 -4.384 1.00 0.00 C ATOM 6 CG MET X 1 27.630 -11.171 -5.916 1.00 0.00 C ATOM 7 SD MET X 1 28.917 -12.264 -6.549 1.00 0.00 S ATOM 8 CE MET X 1 27.996 -13.804 -6.330 1.00 0.00 C ATOM 0 H1 MET X 1 25.890 -11.826 -2.110 1.00 0.00 H new ATOM 0 H2 MET X 1 24.728 -11.752 -3.347 1.00 0.00 H new ATOM 0 H3 MET X 1 26.142 -12.668 -3.563 1.00 0.00 H new ATOM 0 HA MET X 1 26.689 -9.887 -2.938 1.00 0.00 H new ATOM 0 HB2 MET X 1 28.554 -10.354 -4.138 1.00 0.00 H new ATOM 0 HB3 MET X 1 28.064 -12.029 -3.977 1.00 0.00 H new ATOM 0 HG2 MET X 1 26.646 -11.557 -6.180 1.00 0.00 H new ATOM 0 HG3 MET X 1 27.718 -10.184 -6.371 1.00 0.00 H new ATOM 0 HE1 MET X 1 28.545 -14.625 -6.791 1.00 0.00 H new ATOM 0 HE2 MET X 1 27.869 -14.004 -5.266 1.00 0.00 H new ATOM 0 HE3 MET X 1 27.017 -13.713 -6.801 1.00 0.00 H new ATOM 20 N GLN X 2 25.961 -8.863 -5.371 1.00 0.00 N ATOM 21 CA GLN X 2 25.140 -8.116 -6.326 1.00 0.00 C ATOM 22 C GLN X 2 25.837 -8.010 -7.680 1.00 0.00 C ATOM 23 O GLN X 2 27.060 -7.890 -7.754 1.00 0.00 O ATOM 24 CB GLN X 2 24.868 -6.710 -5.786 1.00 0.00 C ATOM 25 CG GLN X 2 23.890 -6.795 -4.614 1.00 0.00 C ATOM 26 CD GLN X 2 23.681 -5.404 -4.004 1.00 0.00 C ATOM 27 OE1 GLN X 2 24.590 -4.864 -3.373 1.00 0.00 O ATOM 28 NE2 GLN X 2 22.534 -4.787 -4.154 1.00 0.00 N ATOM 0 H GLN X 2 26.915 -8.516 -5.274 1.00 0.00 H new ATOM 0 HA GLN X 2 24.200 -8.651 -6.458 1.00 0.00 H new ATOM 0 HB2 GLN X 2 25.800 -6.246 -5.463 1.00 0.00 H new ATOM 0 HB3 GLN X 2 24.455 -6.080 -6.574 1.00 0.00 H new ATOM 0 HG2 GLN X 2 22.936 -7.199 -4.954 1.00 0.00 H new ATOM 0 HG3 GLN X 2 24.275 -7.479 -3.857 1.00 0.00 H new ATOM 0 HE21 GLN X 2 21.780 -5.233 -4.676 1.00 0.00 H new ATOM 0 HE22 GLN X 2 22.396 -3.861 -3.748 1.00 0.00 H new ATOM 37 N TYR X 3 25.041 -8.041 -8.746 1.00 0.00 N ATOM 38 CA TYR X 3 25.558 -7.933 -10.108 1.00 0.00 C ATOM 39 C TYR X 3 24.909 -6.750 -10.804 1.00 0.00 C ATOM 40 O TYR X 3 23.706 -6.533 -10.670 1.00 0.00 O ATOM 41 CB TYR X 3 25.241 -9.204 -10.891 1.00 0.00 C ATOM 42 CG TYR X 3 26.062 -10.348 -10.352 1.00 0.00 C ATOM 43 CD1 TYR X 3 27.454 -10.338 -10.496 1.00 0.00 C ATOM 44 CD2 TYR X 3 25.434 -11.430 -9.719 1.00 0.00 C ATOM 45 CE1 TYR X 3 28.217 -11.404 -10.010 1.00 0.00 C ATOM 46 CE2 TYR X 3 26.197 -12.498 -9.234 1.00 0.00 C ATOM 47 CZ TYR X 3 27.590 -12.484 -9.380 1.00 0.00 C ATOM 48 OH TYR X 3 28.344 -13.538 -8.905 1.00 0.00 O ATOM 0 H TYR X 3 24.027 -8.141 -8.692 1.00 0.00 H new ATOM 0 HA TYR X 3 26.638 -7.794 -10.065 1.00 0.00 H new ATOM 0 HB2 TYR X 3 24.179 -9.436 -10.812 1.00 0.00 H new ATOM 0 HB3 TYR X 3 25.457 -9.055 -11.949 1.00 0.00 H new ATOM 0 HD1 TYR X 3 27.940 -9.505 -10.983 1.00 0.00 H new ATOM 0 HD2 TYR X 3 24.360 -11.439 -9.606 1.00 0.00 H new ATOM 0 HE1 TYR X 3 29.291 -11.394 -10.121 1.00 0.00 H new ATOM 0 HE2 TYR X 3 25.713 -13.332 -8.748 1.00 0.00 H new ATOM 0 HH TYR X 3 29.025 -13.201 -8.286 1.00 0.00 H new ATOM 58 N LYS X 4 25.705 -5.983 -11.543 1.00 0.00 N ATOM 59 CA LYS X 4 25.188 -4.806 -12.256 1.00 0.00 C ATOM 60 C LYS X 4 25.403 -4.948 -13.758 1.00 0.00 C ATOM 61 O LYS X 4 26.518 -5.194 -14.218 1.00 0.00 O ATOM 62 CB LYS X 4 25.904 -3.546 -11.753 1.00 0.00 C ATOM 63 CG LYS X 4 25.184 -2.293 -12.267 1.00 0.00 C ATOM 64 CD LYS X 4 25.943 -1.043 -11.790 1.00 0.00 C ATOM 65 CE LYS X 4 25.363 0.209 -12.456 1.00 0.00 C ATOM 66 NZ LYS X 4 24.124 0.623 -11.743 1.00 0.00 N ATOM 0 H LYS X 4 26.704 -6.148 -11.667 1.00 0.00 H new ATOM 0 HA LYS X 4 24.118 -4.725 -12.063 1.00 0.00 H new ATOM 0 HB2 LYS X 4 25.927 -3.541 -10.663 1.00 0.00 H new ATOM 0 HB3 LYS X 4 26.940 -3.546 -12.093 1.00 0.00 H new ATOM 0 HG2 LYS X 4 25.133 -2.309 -13.356 1.00 0.00 H new ATOM 0 HG3 LYS X 4 24.158 -2.272 -11.900 1.00 0.00 H new ATOM 0 HD2 LYS X 4 25.870 -0.955 -10.706 1.00 0.00 H new ATOM 0 HD3 LYS X 4 27.002 -1.136 -12.032 1.00 0.00 H new ATOM 0 HE2 LYS X 4 26.094 1.017 -12.435 1.00 0.00 H new ATOM 0 HE3 LYS X 4 25.142 0.007 -13.504 1.00 0.00 H new ATOM 0 HZ1 LYS X 4 23.825 1.560 -12.082 1.00 0.00 H new ATOM 0 HZ2 LYS X 4 23.370 -0.069 -11.927 1.00 0.00 H new ATOM 0 HZ3 LYS X 4 24.310 0.668 -10.721 1.00 0.00 H new ATOM 80 N LEU X 5 24.323 -4.771 -14.518 1.00 0.00 N ATOM 81 CA LEU X 5 24.376 -4.856 -15.979 1.00 0.00 C ATOM 82 C LEU X 5 24.206 -3.454 -16.563 1.00 0.00 C ATOM 83 O LEU X 5 23.264 -2.742 -16.218 1.00 0.00 O ATOM 84 CB LEU X 5 23.271 -5.816 -16.461 1.00 0.00 C ATOM 85 CG LEU X 5 23.021 -5.740 -17.988 1.00 0.00 C ATOM 86 CD1 LEU X 5 22.244 -4.462 -18.377 1.00 0.00 C ATOM 87 CD2 LEU X 5 24.352 -5.812 -18.764 1.00 0.00 C ATOM 0 H LEU X 5 23.396 -4.567 -14.145 1.00 0.00 H new ATOM 0 HA LEU X 5 25.336 -5.247 -16.315 1.00 0.00 H new ATOM 0 HB2 LEU X 5 23.544 -6.837 -16.194 1.00 0.00 H new ATOM 0 HB3 LEU X 5 22.344 -5.586 -15.936 1.00 0.00 H new ATOM 0 HG LEU X 5 22.408 -6.599 -18.259 1.00 0.00 H new ATOM 0 HD11 LEU X 5 22.088 -4.445 -19.456 1.00 0.00 H new ATOM 0 HD12 LEU X 5 21.279 -4.455 -17.871 1.00 0.00 H new ATOM 0 HD13 LEU X 5 22.816 -3.583 -18.079 1.00 0.00 H new ATOM 0 HD21 LEU X 5 24.153 -5.757 -19.834 1.00 0.00 H new ATOM 0 HD22 LEU X 5 24.990 -4.978 -18.470 1.00 0.00 H new ATOM 0 HD23 LEU X 5 24.855 -6.752 -18.537 1.00 0.00 H new ATOM 99 N ILE X 6 25.129 -3.054 -17.440 1.00 0.00 N ATOM 100 CA ILE X 6 25.076 -1.722 -18.051 1.00 0.00 C ATOM 101 C ILE X 6 24.446 -1.807 -19.424 1.00 0.00 C ATOM 102 O ILE X 6 24.788 -2.674 -20.229 1.00 0.00 O ATOM 103 CB ILE X 6 26.484 -1.142 -18.201 1.00 0.00 C ATOM 104 CG1 ILE X 6 27.235 -1.225 -16.866 1.00 0.00 C ATOM 105 CG2 ILE X 6 26.386 0.314 -18.656 1.00 0.00 C ATOM 106 CD1 ILE X 6 26.402 -0.598 -15.742 1.00 0.00 C ATOM 0 H ILE X 6 25.917 -3.627 -17.742 1.00 0.00 H new ATOM 0 HA ILE X 6 24.482 -1.078 -17.403 1.00 0.00 H new ATOM 0 HB ILE X 6 27.033 -1.719 -18.945 1.00 0.00 H new ATOM 0 HG12 ILE X 6 27.452 -2.266 -16.628 1.00 0.00 H new ATOM 0 HG13 ILE X 6 28.192 -0.710 -16.948 1.00 0.00 H new ATOM 0 HG21 ILE X 6 27.388 0.730 -18.764 1.00 0.00 H new ATOM 0 HG22 ILE X 6 25.868 0.362 -19.614 1.00 0.00 H new ATOM 0 HG23 ILE X 6 25.832 0.890 -17.915 1.00 0.00 H new ATOM 0 HD11 ILE X 6 26.950 -0.666 -14.802 1.00 0.00 H new ATOM 0 HD12 ILE X 6 26.207 0.449 -15.974 1.00 0.00 H new ATOM 0 HD13 ILE X 6 25.456 -1.131 -15.650 1.00 0.00 H new ATOM 118 N LEU X 7 23.505 -0.910 -19.680 1.00 0.00 N ATOM 119 CA LEU X 7 22.802 -0.895 -20.954 1.00 0.00 C ATOM 120 C LEU X 7 23.509 0.025 -21.941 1.00 0.00 C ATOM 121 O LEU X 7 23.551 1.240 -21.763 1.00 0.00 O ATOM 122 CB LEU X 7 21.356 -0.396 -20.753 1.00 0.00 C ATOM 123 CG LEU X 7 20.408 -1.549 -20.375 1.00 0.00 C ATOM 124 CD1 LEU X 7 20.534 -1.867 -18.880 1.00 0.00 C ATOM 125 CD2 LEU X 7 18.967 -1.131 -20.690 1.00 0.00 C ATOM 0 H LEU X 7 23.211 -0.185 -19.025 1.00 0.00 H new ATOM 0 HA LEU X 7 22.791 -1.910 -21.350 1.00 0.00 H new ATOM 0 HB2 LEU X 7 21.337 0.363 -19.971 1.00 0.00 H new ATOM 0 HB3 LEU X 7 21.004 0.081 -21.668 1.00 0.00 H new ATOM 0 HG LEU X 7 20.672 -2.438 -20.947 1.00 0.00 H new ATOM 0 HD11 LEU X 7 19.859 -2.684 -18.624 1.00 0.00 H new ATOM 0 HD12 LEU X 7 21.560 -2.160 -18.655 1.00 0.00 H new ATOM 0 HD13 LEU X 7 20.273 -0.984 -18.297 1.00 0.00 H new ATOM 0 HD21 LEU X 7 18.287 -1.941 -20.426 1.00 0.00 H new ATOM 0 HD22 LEU X 7 18.712 -0.241 -20.114 1.00 0.00 H new ATOM 0 HD23 LEU X 7 18.876 -0.913 -21.754 1.00 0.00 H new ATOM 137 N ASN X 8 24.022 -0.576 -23.003 1.00 0.00 N ATOM 138 CA ASN X 8 24.683 0.161 -24.065 1.00 0.00 C ATOM 139 C ASN X 8 24.166 -0.364 -25.395 1.00 0.00 C ATOM 140 O ASN X 8 24.747 -1.277 -25.979 1.00 0.00 O ATOM 141 CB ASN X 8 26.193 -0.043 -23.975 1.00 0.00 C ATOM 142 CG ASN X 8 26.877 0.582 -25.188 1.00 0.00 C ATOM 143 OD1 ASN X 8 26.443 1.623 -25.678 1.00 0.00 O ATOM 144 ND2 ASN X 8 27.928 0.002 -25.703 1.00 0.00 N ATOM 0 H ASN X 8 23.992 -1.585 -23.152 1.00 0.00 H new ATOM 0 HA ASN X 8 24.473 1.227 -23.974 1.00 0.00 H new ATOM 0 HB2 ASN X 8 26.575 0.408 -23.059 1.00 0.00 H new ATOM 0 HB3 ASN X 8 26.422 -1.107 -23.926 1.00 0.00 H new ATOM 0 HD21 ASN X 8 28.391 0.413 -26.514 1.00 0.00 H new ATOM 0 HD22 ASN X 8 28.286 -0.861 -25.294 1.00 0.00 H new ATOM 151 N GLY X 9 23.052 0.206 -25.859 1.00 0.00 N ATOM 152 CA GLY X 9 22.440 -0.226 -27.115 1.00 0.00 C ATOM 153 C GLY X 9 22.237 0.939 -28.064 1.00 0.00 C ATOM 154 O GLY X 9 22.833 2.004 -27.897 1.00 0.00 O ATOM 0 H GLY X 9 22.558 0.963 -25.386 1.00 0.00 H new ATOM 0 HA2 GLY X 9 23.072 -0.977 -27.589 1.00 0.00 H new ATOM 0 HA3 GLY X 9 21.480 -0.700 -26.909 1.00 0.00 H new ATOM 158 N LYS X 10 21.395 0.726 -29.066 1.00 0.00 N ATOM 159 CA LYS X 10 21.122 1.764 -30.048 1.00 0.00 C ATOM 160 C LYS X 10 20.167 2.825 -29.482 1.00 0.00 C ATOM 161 O LYS X 10 20.413 4.022 -29.632 1.00 0.00 O ATOM 162 CB LYS X 10 20.527 1.144 -31.323 1.00 0.00 C ATOM 163 CG LYS X 10 21.248 -0.170 -31.643 1.00 0.00 C ATOM 164 CD LYS X 10 20.691 -0.756 -32.942 1.00 0.00 C ATOM 165 CE LYS X 10 21.123 -2.219 -33.070 1.00 0.00 C ATOM 166 NZ LYS X 10 20.632 -2.771 -34.365 1.00 0.00 N ATOM 0 H LYS X 10 20.893 -0.149 -29.219 1.00 0.00 H new ATOM 0 HA LYS X 10 22.065 2.253 -30.294 1.00 0.00 H new ATOM 0 HB2 LYS X 10 19.461 0.961 -31.187 1.00 0.00 H new ATOM 0 HB3 LYS X 10 20.628 1.838 -32.158 1.00 0.00 H new ATOM 0 HG2 LYS X 10 22.319 0.005 -31.741 1.00 0.00 H new ATOM 0 HG3 LYS X 10 21.115 -0.879 -30.826 1.00 0.00 H new ATOM 0 HD2 LYS X 10 19.603 -0.685 -32.948 1.00 0.00 H new ATOM 0 HD3 LYS X 10 21.052 -0.183 -33.796 1.00 0.00 H new ATOM 0 HE2 LYS X 10 22.209 -2.294 -33.019 1.00 0.00 H new ATOM 0 HE3 LYS X 10 20.724 -2.801 -32.240 1.00 0.00 H new ATOM 0 HZ1 LYS X 10 20.925 -3.765 -34.452 1.00 0.00 H new ATOM 0 HZ2 LYS X 10 19.594 -2.712 -34.396 1.00 0.00 H new ATOM 0 HZ3 LYS X 10 21.034 -2.221 -35.151 1.00 0.00 H new ATOM 180 N THR X 11 19.069 2.390 -28.843 1.00 0.00 N ATOM 181 CA THR X 11 18.089 3.329 -28.282 1.00 0.00 C ATOM 182 C THR X 11 17.734 2.999 -26.833 1.00 0.00 C ATOM 183 O THR X 11 16.705 3.452 -26.331 1.00 0.00 O ATOM 184 CB THR X 11 16.813 3.297 -29.123 1.00 0.00 C ATOM 185 OG1 THR X 11 16.342 1.959 -29.214 1.00 0.00 O ATOM 186 CG2 THR X 11 17.113 3.832 -30.520 1.00 0.00 C ATOM 0 H THR X 11 18.841 1.406 -28.704 1.00 0.00 H new ATOM 0 HA THR X 11 18.541 4.321 -28.300 1.00 0.00 H new ATOM 0 HB THR X 11 16.050 3.918 -28.655 1.00 0.00 H new ATOM 0 HG1 THR X 11 15.523 1.936 -29.751 1.00 0.00 H new ATOM 0 HG21 THR X 11 16.204 3.810 -31.121 1.00 0.00 H new ATOM 0 HG22 THR X 11 17.475 4.858 -30.447 1.00 0.00 H new ATOM 0 HG23 THR X 11 17.875 3.211 -30.991 1.00 0.00 H new ATOM 194 N LEU X 12 18.570 2.209 -26.156 1.00 0.00 N ATOM 195 CA LEU X 12 18.295 1.840 -24.764 1.00 0.00 C ATOM 196 C LEU X 12 19.570 1.880 -23.908 1.00 0.00 C ATOM 197 O LEU X 12 20.364 0.940 -23.920 1.00 0.00 O ATOM 198 CB LEU X 12 17.672 0.426 -24.731 1.00 0.00 C ATOM 199 CG LEU X 12 16.473 0.360 -23.763 1.00 0.00 C ATOM 200 CD1 LEU X 12 16.090 -1.113 -23.547 1.00 0.00 C ATOM 201 CD2 LEU X 12 16.829 1.009 -22.408 1.00 0.00 C ATOM 0 H LEU X 12 19.430 1.817 -26.540 1.00 0.00 H new ATOM 0 HA LEU X 12 17.597 2.564 -24.343 1.00 0.00 H new ATOM 0 HB2 LEU X 12 17.348 0.147 -25.733 1.00 0.00 H new ATOM 0 HB3 LEU X 12 18.427 -0.299 -24.427 1.00 0.00 H new ATOM 0 HG LEU X 12 15.635 0.907 -24.194 1.00 0.00 H new ATOM 0 HD11 LEU X 12 15.243 -1.172 -22.864 1.00 0.00 H new ATOM 0 HD12 LEU X 12 15.818 -1.562 -24.502 1.00 0.00 H new ATOM 0 HD13 LEU X 12 16.937 -1.651 -23.122 1.00 0.00 H new ATOM 0 HD21 LEU X 12 15.969 0.952 -21.740 1.00 0.00 H new ATOM 0 HD22 LEU X 12 17.671 0.480 -21.962 1.00 0.00 H new ATOM 0 HD23 LEU X 12 17.098 2.054 -22.564 1.00 0.00 H new ATOM 213 N LYS X 13 19.733 2.968 -23.148 1.00 0.00 N ATOM 214 CA LYS X 13 20.886 3.139 -22.261 1.00 0.00 C ATOM 215 C LYS X 13 20.385 3.343 -20.819 1.00 0.00 C ATOM 216 O LYS X 13 19.419 4.071 -20.591 1.00 0.00 O ATOM 217 CB LYS X 13 21.697 4.377 -22.730 1.00 0.00 C ATOM 218 CG LYS X 13 22.970 3.960 -23.494 1.00 0.00 C ATOM 219 CD LYS X 13 22.630 3.228 -24.797 1.00 0.00 C ATOM 220 CE LYS X 13 21.801 4.124 -25.730 1.00 0.00 C ATOM 221 NZ LYS X 13 20.359 3.822 -25.532 1.00 0.00 N ATOM 0 H LYS X 13 19.076 3.748 -23.131 1.00 0.00 H new ATOM 0 HA LYS X 13 21.526 2.257 -22.292 1.00 0.00 H new ATOM 0 HB2 LYS X 13 21.074 5.000 -23.371 1.00 0.00 H new ATOM 0 HB3 LYS X 13 21.971 4.983 -21.866 1.00 0.00 H new ATOM 0 HG2 LYS X 13 23.567 4.844 -23.718 1.00 0.00 H new ATOM 0 HG3 LYS X 13 23.580 3.315 -22.862 1.00 0.00 H new ATOM 0 HD2 LYS X 13 23.549 2.925 -25.299 1.00 0.00 H new ATOM 0 HD3 LYS X 13 22.075 2.317 -24.573 1.00 0.00 H new ATOM 0 HE2 LYS X 13 21.999 5.175 -25.517 1.00 0.00 H new ATOM 0 HE3 LYS X 13 22.083 3.950 -26.768 1.00 0.00 H new ATOM 0 HZ1 LYS X 13 19.811 4.209 -26.327 1.00 0.00 H new ATOM 0 HZ2 LYS X 13 20.223 2.792 -25.487 1.00 0.00 H new ATOM 0 HZ3 LYS X 13 20.033 4.253 -24.644 1.00 0.00 H new ATOM 235 N GLY X 14 21.046 2.696 -19.856 1.00 0.00 N ATOM 236 CA GLY X 14 20.655 2.816 -18.454 1.00 0.00 C ATOM 237 C GLY X 14 21.465 1.854 -17.575 1.00 0.00 C ATOM 238 O GLY X 14 22.570 1.454 -17.937 1.00 0.00 O ATOM 0 H GLY X 14 21.848 2.088 -20.022 1.00 0.00 H new ATOM 0 HA2 GLY X 14 20.809 3.841 -18.116 1.00 0.00 H new ATOM 0 HA3 GLY X 14 19.591 2.602 -18.349 1.00 0.00 H new ATOM 242 N GLU X 15 20.898 1.480 -16.419 1.00 0.00 N ATOM 243 CA GLU X 15 21.562 0.558 -15.491 1.00 0.00 C ATOM 244 C GLU X 15 20.576 -0.493 -15.005 1.00 0.00 C ATOM 245 O GLU X 15 19.378 -0.232 -14.901 1.00 0.00 O ATOM 246 CB GLU X 15 22.097 1.302 -14.264 1.00 0.00 C ATOM 247 CG GLU X 15 22.858 2.555 -14.684 1.00 0.00 C ATOM 248 CD GLU X 15 24.228 2.187 -15.238 1.00 0.00 C ATOM 249 OE1 GLU X 15 24.319 1.971 -16.435 1.00 0.00 O ATOM 250 OE2 GLU X 15 25.166 2.135 -14.462 1.00 0.00 O ATOM 0 H GLU X 15 19.982 1.802 -16.106 1.00 0.00 H new ATOM 0 HA GLU X 15 22.389 0.093 -16.028 1.00 0.00 H new ATOM 0 HB2 GLU X 15 21.270 1.575 -13.609 1.00 0.00 H new ATOM 0 HB3 GLU X 15 22.753 0.646 -13.692 1.00 0.00 H new ATOM 0 HG2 GLU X 15 22.288 3.098 -15.438 1.00 0.00 H new ATOM 0 HG3 GLU X 15 22.972 3.222 -13.829 1.00 0.00 H new ATOM 257 N THR X 16 21.084 -1.681 -14.685 1.00 0.00 N ATOM 258 CA THR X 16 20.225 -2.759 -14.183 1.00 0.00 C ATOM 259 C THR X 16 20.997 -3.638 -13.201 1.00 0.00 C ATOM 260 O THR X 16 22.097 -4.088 -13.503 1.00 0.00 O ATOM 261 CB THR X 16 19.713 -3.601 -15.360 1.00 0.00 C ATOM 262 OG1 THR X 16 19.455 -2.745 -16.462 1.00 0.00 O ATOM 263 CG2 THR X 16 18.423 -4.333 -14.981 1.00 0.00 C ATOM 0 H THR X 16 22.072 -1.923 -14.762 1.00 0.00 H new ATOM 0 HA THR X 16 19.374 -2.322 -13.660 1.00 0.00 H new ATOM 0 HB THR X 16 20.471 -4.340 -15.621 1.00 0.00 H new ATOM 0 HG1 THR X 16 18.633 -3.031 -16.913 1.00 0.00 H new ATOM 0 HG21 THR X 16 18.077 -4.924 -15.829 1.00 0.00 H new ATOM 0 HG22 THR X 16 18.614 -4.992 -14.134 1.00 0.00 H new ATOM 0 HG23 THR X 16 17.658 -3.605 -14.710 1.00 0.00 H new ATOM 271 N THR X 17 20.416 -3.883 -12.022 1.00 0.00 N ATOM 272 CA THR X 17 21.070 -4.718 -11.007 1.00 0.00 C ATOM 273 C THR X 17 20.117 -5.800 -10.506 1.00 0.00 C ATOM 274 O THR X 17 18.897 -5.665 -10.604 1.00 0.00 O ATOM 275 CB THR X 17 21.530 -3.845 -9.833 1.00 0.00 C ATOM 276 OG1 THR X 17 22.015 -2.606 -10.332 1.00 0.00 O ATOM 277 CG2 THR X 17 22.649 -4.552 -9.059 1.00 0.00 C ATOM 0 H THR X 17 19.503 -3.520 -11.748 1.00 0.00 H new ATOM 0 HA THR X 17 21.936 -5.201 -11.460 1.00 0.00 H new ATOM 0 HB THR X 17 20.687 -3.672 -9.164 1.00 0.00 H new ATOM 0 HG1 THR X 17 22.308 -2.045 -9.584 1.00 0.00 H new ATOM 0 HG21 THR X 17 22.969 -3.924 -8.227 1.00 0.00 H new ATOM 0 HG22 THR X 17 22.281 -5.503 -8.675 1.00 0.00 H new ATOM 0 HG23 THR X 17 23.494 -4.732 -9.724 1.00 0.00 H new ATOM 285 N THR X 18 20.690 -6.874 -9.969 1.00 0.00 N ATOM 286 CA THR X 18 19.907 -7.987 -9.452 1.00 0.00 C ATOM 287 C THR X 18 20.649 -8.649 -8.294 1.00 0.00 C ATOM 288 O THR X 18 21.876 -8.595 -8.218 1.00 0.00 O ATOM 289 CB THR X 18 19.639 -9.010 -10.564 1.00 0.00 C ATOM 290 OG1 THR X 18 18.626 -9.910 -10.140 1.00 0.00 O ATOM 291 CG2 THR X 18 20.916 -9.793 -10.880 1.00 0.00 C ATOM 0 H THR X 18 21.699 -6.995 -9.881 1.00 0.00 H new ATOM 0 HA THR X 18 18.951 -7.609 -9.090 1.00 0.00 H new ATOM 0 HB THR X 18 19.314 -8.484 -11.462 1.00 0.00 H new ATOM 0 HG1 THR X 18 18.451 -10.564 -10.849 1.00 0.00 H new ATOM 0 HG21 THR X 18 20.713 -10.516 -11.670 1.00 0.00 H new ATOM 0 HG22 THR X 18 21.693 -9.104 -11.209 1.00 0.00 H new ATOM 0 HG23 THR X 18 21.252 -10.318 -9.986 1.00 0.00 H new ATOM 299 N GLU X 19 19.896 -9.272 -7.394 1.00 0.00 N ATOM 300 CA GLU X 19 20.483 -9.946 -6.235 1.00 0.00 C ATOM 301 C GLU X 19 20.475 -11.457 -6.455 1.00 0.00 C ATOM 302 O GLU X 19 19.430 -12.104 -6.374 1.00 0.00 O ATOM 303 CB GLU X 19 19.664 -9.592 -4.984 1.00 0.00 C ATOM 304 CG GLU X 19 20.082 -10.471 -3.798 1.00 0.00 C ATOM 305 CD GLU X 19 21.597 -10.453 -3.637 1.00 0.00 C ATOM 306 OE1 GLU X 19 22.132 -9.391 -3.372 1.00 0.00 O ATOM 307 OE2 GLU X 19 22.200 -11.503 -3.782 1.00 0.00 O ATOM 0 H GLU X 19 18.879 -9.326 -7.442 1.00 0.00 H new ATOM 0 HA GLU X 19 21.514 -9.618 -6.101 1.00 0.00 H new ATOM 0 HB2 GLU X 19 19.809 -8.541 -4.733 1.00 0.00 H new ATOM 0 HB3 GLU X 19 18.602 -9.728 -5.188 1.00 0.00 H new ATOM 0 HG2 GLU X 19 19.608 -10.112 -2.885 1.00 0.00 H new ATOM 0 HG3 GLU X 19 19.738 -11.493 -3.955 1.00 0.00 H new ATOM 314 N ALA X 20 21.655 -12.012 -6.740 1.00 0.00 N ATOM 315 CA ALA X 20 21.798 -13.449 -6.982 1.00 0.00 C ATOM 316 C ALA X 20 23.025 -13.995 -6.263 1.00 0.00 C ATOM 317 O ALA X 20 23.924 -13.244 -5.884 1.00 0.00 O ATOM 318 CB ALA X 20 21.944 -13.718 -8.484 1.00 0.00 C ATOM 0 H ALA X 20 22.527 -11.487 -6.809 1.00 0.00 H new ATOM 0 HA ALA X 20 20.906 -13.946 -6.601 1.00 0.00 H new ATOM 0 HB1 ALA X 20 22.050 -14.790 -8.653 1.00 0.00 H new ATOM 0 HB2 ALA X 20 21.060 -13.354 -9.007 1.00 0.00 H new ATOM 0 HB3 ALA X 20 22.827 -13.202 -8.862 1.00 0.00 H new ATOM 324 N VAL X 21 23.058 -15.313 -6.094 1.00 0.00 N ATOM 325 CA VAL X 21 24.178 -15.967 -5.436 1.00 0.00 C ATOM 326 C VAL X 21 25.258 -16.281 -6.465 1.00 0.00 C ATOM 327 O VAL X 21 26.450 -16.132 -6.196 1.00 0.00 O ATOM 328 CB VAL X 21 23.692 -17.262 -4.763 1.00 0.00 C ATOM 329 CG1 VAL X 21 22.684 -17.967 -5.673 1.00 0.00 C ATOM 330 CG2 VAL X 21 24.877 -18.202 -4.497 1.00 0.00 C ATOM 0 H VAL X 21 22.321 -15.947 -6.404 1.00 0.00 H new ATOM 0 HA VAL X 21 24.595 -15.307 -4.675 1.00 0.00 H new ATOM 0 HB VAL X 21 23.219 -17.007 -3.815 1.00 0.00 H new ATOM 0 HG11 VAL X 21 22.341 -18.884 -5.194 1.00 0.00 H new ATOM 0 HG12 VAL X 21 21.833 -17.310 -5.851 1.00 0.00 H new ATOM 0 HG13 VAL X 21 23.159 -18.210 -6.623 1.00 0.00 H new ATOM 0 HG21 VAL X 21 24.518 -19.114 -4.020 1.00 0.00 H new ATOM 0 HG22 VAL X 21 25.362 -18.452 -5.441 1.00 0.00 H new ATOM 0 HG23 VAL X 21 25.593 -17.708 -3.841 1.00 0.00 H new ATOM 340 N ASP X 22 24.827 -16.731 -7.640 1.00 0.00 N ATOM 341 CA ASP X 22 25.763 -17.088 -8.712 1.00 0.00 C ATOM 342 C ASP X 22 25.788 -16.028 -9.803 1.00 0.00 C ATOM 343 O ASP X 22 24.831 -15.276 -9.984 1.00 0.00 O ATOM 344 CB ASP X 22 25.361 -18.425 -9.330 1.00 0.00 C ATOM 345 CG ASP X 22 26.461 -18.922 -10.261 1.00 0.00 C ATOM 346 OD1 ASP X 22 27.606 -18.934 -9.838 1.00 0.00 O ATOM 347 OD2 ASP X 22 26.144 -19.282 -11.382 1.00 0.00 O ATOM 0 H ASP X 22 23.843 -16.858 -7.877 1.00 0.00 H new ATOM 0 HA ASP X 22 26.758 -17.160 -8.272 1.00 0.00 H new ATOM 0 HB2 ASP X 22 25.180 -19.158 -8.544 1.00 0.00 H new ATOM 0 HB3 ASP X 22 24.428 -18.313 -9.883 1.00 0.00 H new ATOM 352 N ALA X 23 26.898 -15.978 -10.526 1.00 0.00 N ATOM 353 CA ALA X 23 27.058 -15.014 -11.609 1.00 0.00 C ATOM 354 C ALA X 23 26.245 -15.429 -12.834 1.00 0.00 C ATOM 355 O ALA X 23 25.563 -14.608 -13.447 1.00 0.00 O ATOM 356 CB ALA X 23 28.536 -14.906 -11.990 1.00 0.00 C ATOM 0 H ALA X 23 27.700 -16.592 -10.384 1.00 0.00 H new ATOM 0 HA ALA X 23 26.694 -14.047 -11.263 1.00 0.00 H new ATOM 0 HB1 ALA X 23 28.651 -14.185 -12.799 1.00 0.00 H new ATOM 0 HB2 ALA X 23 29.112 -14.576 -11.125 1.00 0.00 H new ATOM 0 HB3 ALA X 23 28.899 -15.880 -12.317 1.00 0.00 H new ATOM 362 N ALA X 24 26.339 -16.706 -13.194 1.00 0.00 N ATOM 363 CA ALA X 24 25.627 -17.224 -14.360 1.00 0.00 C ATOM 364 C ALA X 24 24.096 -17.112 -14.185 1.00 0.00 C ATOM 365 O ALA X 24 23.391 -16.781 -15.139 1.00 0.00 O ATOM 366 CB ALA X 24 26.012 -18.688 -14.605 1.00 0.00 C ATOM 0 H ALA X 24 26.899 -17.399 -12.698 1.00 0.00 H new ATOM 0 HA ALA X 24 25.916 -16.620 -15.220 1.00 0.00 H new ATOM 0 HB1 ALA X 24 25.476 -19.064 -15.476 1.00 0.00 H new ATOM 0 HB2 ALA X 24 27.085 -18.757 -14.782 1.00 0.00 H new ATOM 0 HB3 ALA X 24 25.749 -19.284 -13.731 1.00 0.00 H new ATOM 372 N THR X 25 23.575 -17.392 -12.976 1.00 0.00 N ATOM 373 CA THR X 25 22.133 -17.311 -12.747 1.00 0.00 C ATOM 374 C THR X 25 21.634 -15.876 -12.938 1.00 0.00 C ATOM 375 O THR X 25 20.508 -15.656 -13.384 1.00 0.00 O ATOM 376 CB THR X 25 21.777 -17.840 -11.336 1.00 0.00 C ATOM 377 OG1 THR X 25 20.450 -18.347 -11.354 1.00 0.00 O ATOM 378 CG2 THR X 25 21.878 -16.732 -10.273 1.00 0.00 C ATOM 0 H THR X 25 24.123 -17.670 -12.162 1.00 0.00 H new ATOM 0 HA THR X 25 21.631 -17.941 -13.482 1.00 0.00 H new ATOM 0 HB THR X 25 22.488 -18.625 -11.076 1.00 0.00 H new ATOM 0 HG1 THR X 25 20.217 -18.686 -10.464 1.00 0.00 H new ATOM 0 HG21 THR X 25 21.621 -17.141 -9.296 1.00 0.00 H new ATOM 0 HG22 THR X 25 22.896 -16.344 -10.248 1.00 0.00 H new ATOM 0 HG23 THR X 25 21.188 -15.925 -10.522 1.00 0.00 H new ATOM 386 N ALA X 26 22.479 -14.905 -12.596 1.00 0.00 N ATOM 387 CA ALA X 26 22.111 -13.499 -12.735 1.00 0.00 C ATOM 388 C ALA X 26 21.990 -13.119 -14.209 1.00 0.00 C ATOM 389 O ALA X 26 21.139 -12.313 -14.586 1.00 0.00 O ATOM 390 CB ALA X 26 23.158 -12.615 -12.052 1.00 0.00 C ATOM 0 H ALA X 26 23.415 -15.065 -12.224 1.00 0.00 H new ATOM 0 HA ALA X 26 21.144 -13.345 -12.256 1.00 0.00 H new ATOM 0 HB1 ALA X 26 22.876 -11.568 -12.160 1.00 0.00 H new ATOM 0 HB2 ALA X 26 23.213 -12.868 -10.993 1.00 0.00 H new ATOM 0 HB3 ALA X 26 24.131 -12.779 -12.516 1.00 0.00 H new ATOM 396 N GLU X 27 22.853 -13.704 -15.034 1.00 0.00 N ATOM 397 CA GLU X 27 22.848 -13.423 -16.469 1.00 0.00 C ATOM 398 C GLU X 27 21.521 -13.852 -17.094 1.00 0.00 C ATOM 399 O GLU X 27 21.089 -13.295 -18.099 1.00 0.00 O ATOM 400 CB GLU X 27 24.043 -14.142 -17.152 1.00 0.00 C ATOM 401 CG GLU X 27 23.581 -15.381 -17.945 1.00 0.00 C ATOM 402 CD GLU X 27 24.784 -16.203 -18.394 1.00 0.00 C ATOM 403 OE1 GLU X 27 25.847 -15.623 -18.554 1.00 0.00 O ATOM 404 OE2 GLU X 27 24.627 -17.399 -18.572 1.00 0.00 O ATOM 0 H GLU X 27 23.563 -14.373 -14.737 1.00 0.00 H new ATOM 0 HA GLU X 27 22.957 -12.349 -16.621 1.00 0.00 H new ATOM 0 HB2 GLU X 27 24.551 -13.449 -17.822 1.00 0.00 H new ATOM 0 HB3 GLU X 27 24.768 -14.443 -16.396 1.00 0.00 H new ATOM 0 HG2 GLU X 27 22.925 -15.993 -17.326 1.00 0.00 H new ATOM 0 HG3 GLU X 27 23.001 -15.069 -18.813 1.00 0.00 H new ATOM 411 N LYS X 28 20.892 -14.856 -16.502 1.00 0.00 N ATOM 412 CA LYS X 28 19.629 -15.357 -17.031 1.00 0.00 C ATOM 413 C LYS X 28 18.610 -14.230 -17.091 1.00 0.00 C ATOM 414 O LYS X 28 17.900 -14.073 -18.084 1.00 0.00 O ATOM 415 CB LYS X 28 19.097 -16.483 -16.142 1.00 0.00 C ATOM 416 CG LYS X 28 20.073 -17.662 -16.164 1.00 0.00 C ATOM 417 CD LYS X 28 19.444 -18.866 -15.447 1.00 0.00 C ATOM 418 CE LYS X 28 20.465 -20.016 -15.365 1.00 0.00 C ATOM 419 NZ LYS X 28 20.041 -21.032 -14.315 1.00 0.00 N ATOM 0 H LYS X 28 21.228 -15.335 -15.667 1.00 0.00 H new ATOM 0 HA LYS X 28 19.797 -15.745 -18.036 1.00 0.00 H new ATOM 0 HB2 LYS X 28 18.969 -16.124 -15.121 1.00 0.00 H new ATOM 0 HB3 LYS X 28 18.116 -16.804 -16.493 1.00 0.00 H new ATOM 0 HG2 LYS X 28 20.317 -17.926 -17.193 1.00 0.00 H new ATOM 0 HG3 LYS X 28 21.007 -17.383 -15.676 1.00 0.00 H new ATOM 0 HD2 LYS X 28 19.125 -18.578 -14.445 1.00 0.00 H new ATOM 0 HD3 LYS X 28 18.554 -19.195 -15.983 1.00 0.00 H new ATOM 0 HE2 LYS X 28 20.552 -20.503 -16.336 1.00 0.00 H new ATOM 0 HE3 LYS X 28 21.450 -19.619 -15.118 1.00 0.00 H new ATOM 0 HZ1 LYS X 28 20.741 -21.800 -14.273 1.00 0.00 H new ATOM 0 HZ2 LYS X 28 19.981 -20.567 -13.387 1.00 0.00 H new ATOM 0 HZ3 LYS X 28 19.111 -21.424 -14.567 1.00 0.00 H new ATOM 433 N VAL X 29 18.553 -13.437 -16.030 1.00 0.00 N ATOM 434 CA VAL X 29 17.626 -12.317 -15.980 1.00 0.00 C ATOM 435 C VAL X 29 18.057 -11.222 -16.954 1.00 0.00 C ATOM 436 O VAL X 29 17.255 -10.738 -17.748 1.00 0.00 O ATOM 437 CB VAL X 29 17.572 -11.747 -14.562 1.00 0.00 C ATOM 438 CG1 VAL X 29 16.404 -10.765 -14.451 1.00 0.00 C ATOM 439 CG2 VAL X 29 17.375 -12.889 -13.563 1.00 0.00 C ATOM 0 H VAL X 29 19.133 -13.548 -15.198 1.00 0.00 H new ATOM 0 HA VAL X 29 16.637 -12.675 -16.266 1.00 0.00 H new ATOM 0 HB VAL X 29 18.505 -11.227 -14.342 1.00 0.00 H new ATOM 0 HG11 VAL X 29 16.365 -10.359 -13.440 1.00 0.00 H new ATOM 0 HG12 VAL X 29 16.543 -9.952 -15.164 1.00 0.00 H new ATOM 0 HG13 VAL X 29 15.471 -11.284 -14.670 1.00 0.00 H new ATOM 0 HG21 VAL X 29 17.336 -12.485 -12.551 1.00 0.00 H new ATOM 0 HG22 VAL X 29 16.442 -13.408 -13.783 1.00 0.00 H new ATOM 0 HG23 VAL X 29 18.207 -13.589 -13.642 1.00 0.00 H new ATOM 449 N PHE X 30 19.329 -10.835 -16.877 1.00 0.00 N ATOM 450 CA PHE X 30 19.868 -9.789 -17.739 1.00 0.00 C ATOM 451 C PHE X 30 19.789 -10.173 -19.216 1.00 0.00 C ATOM 452 O PHE X 30 19.423 -9.349 -20.054 1.00 0.00 O ATOM 453 CB PHE X 30 21.329 -9.508 -17.380 1.00 0.00 C ATOM 454 CG PHE X 30 21.427 -8.910 -15.989 1.00 0.00 C ATOM 455 CD1 PHE X 30 20.818 -7.678 -15.704 1.00 0.00 C ATOM 456 CD2 PHE X 30 22.134 -9.585 -14.983 1.00 0.00 C ATOM 457 CE1 PHE X 30 20.916 -7.128 -14.420 1.00 0.00 C ATOM 458 CE2 PHE X 30 22.231 -9.032 -13.701 1.00 0.00 C ATOM 459 CZ PHE X 30 21.621 -7.805 -13.419 1.00 0.00 C ATOM 0 H PHE X 30 20.005 -11.232 -16.225 1.00 0.00 H new ATOM 0 HA PHE X 30 19.262 -8.897 -17.579 1.00 0.00 H new ATOM 0 HB2 PHE X 30 21.906 -10.432 -17.427 1.00 0.00 H new ATOM 0 HB3 PHE X 30 21.764 -8.823 -18.108 1.00 0.00 H new ATOM 0 HD1 PHE X 30 20.273 -7.154 -16.475 1.00 0.00 H new ATOM 0 HD2 PHE X 30 22.604 -10.533 -15.198 1.00 0.00 H new ATOM 0 HE1 PHE X 30 20.447 -6.180 -14.202 1.00 0.00 H new ATOM 0 HE2 PHE X 30 22.777 -9.553 -12.929 1.00 0.00 H new ATOM 0 HZ PHE X 30 21.694 -7.380 -12.429 1.00 0.00 H new ATOM 469 N LYS X 31 20.137 -11.415 -19.542 1.00 0.00 N ATOM 470 CA LYS X 31 20.092 -11.853 -20.936 1.00 0.00 C ATOM 471 C LYS X 31 18.649 -11.958 -21.416 1.00 0.00 C ATOM 472 O LYS X 31 18.326 -11.544 -22.529 1.00 0.00 O ATOM 473 CB LYS X 31 20.802 -13.203 -21.106 1.00 0.00 C ATOM 474 CG LYS X 31 22.322 -13.021 -20.947 1.00 0.00 C ATOM 475 CD LYS X 31 23.055 -14.217 -21.562 1.00 0.00 C ATOM 476 CE LYS X 31 24.554 -14.094 -21.283 1.00 0.00 C ATOM 477 NZ LYS X 31 25.301 -14.995 -22.203 1.00 0.00 N ATOM 0 H LYS X 31 20.447 -12.123 -18.877 1.00 0.00 H new ATOM 0 HA LYS X 31 20.611 -11.110 -21.541 1.00 0.00 H new ATOM 0 HB2 LYS X 31 20.433 -13.913 -20.366 1.00 0.00 H new ATOM 0 HB3 LYS X 31 20.578 -13.620 -22.088 1.00 0.00 H new ATOM 0 HG2 LYS X 31 22.640 -12.099 -21.433 1.00 0.00 H new ATOM 0 HG3 LYS X 31 22.578 -12.929 -19.891 1.00 0.00 H new ATOM 0 HD2 LYS X 31 22.671 -15.147 -21.143 1.00 0.00 H new ATOM 0 HD3 LYS X 31 22.876 -14.254 -22.637 1.00 0.00 H new ATOM 0 HE2 LYS X 31 24.878 -13.063 -21.423 1.00 0.00 H new ATOM 0 HE3 LYS X 31 24.766 -14.357 -20.247 1.00 0.00 H new ATOM 0 HZ1 LYS X 31 26.321 -14.914 -22.016 1.00 0.00 H new ATOM 0 HZ2 LYS X 31 24.998 -15.978 -22.049 1.00 0.00 H new ATOM 0 HZ3 LYS X 31 25.107 -14.724 -23.188 1.00 0.00 H new ATOM 491 N GLN X 32 17.781 -12.500 -20.569 1.00 0.00 N ATOM 492 CA GLN X 32 16.376 -12.634 -20.925 1.00 0.00 C ATOM 493 C GLN X 32 15.697 -11.269 -20.887 1.00 0.00 C ATOM 494 O GLN X 32 14.788 -10.991 -21.667 1.00 0.00 O ATOM 495 CB GLN X 32 15.681 -13.580 -19.950 1.00 0.00 C ATOM 496 CG GLN X 32 16.225 -14.998 -20.136 1.00 0.00 C ATOM 497 CD GLN X 32 15.798 -15.880 -18.967 1.00 0.00 C ATOM 498 OE1 GLN X 32 16.069 -15.554 -17.811 1.00 0.00 O ATOM 499 NE2 GLN X 32 15.137 -16.994 -19.201 1.00 0.00 N ATOM 0 H GLN X 32 18.023 -12.850 -19.642 1.00 0.00 H new ATOM 0 HA GLN X 32 16.304 -13.042 -21.933 1.00 0.00 H new ATOM 0 HB2 GLN X 32 15.846 -13.248 -18.925 1.00 0.00 H new ATOM 0 HB3 GLN X 32 14.604 -13.567 -20.120 1.00 0.00 H new ATOM 0 HG2 GLN X 32 15.856 -15.418 -21.072 1.00 0.00 H new ATOM 0 HG3 GLN X 32 17.313 -14.973 -20.205 1.00 0.00 H new ATOM 0 HE21 GLN X 32 14.913 -17.263 -20.159 1.00 0.00 H new ATOM 0 HE22 GLN X 32 14.848 -17.589 -18.424 1.00 0.00 H new ATOM 508 N TYR X 33 16.157 -10.423 -19.970 1.00 0.00 N ATOM 509 CA TYR X 33 15.604 -9.088 -19.822 1.00 0.00 C ATOM 510 C TYR X 33 15.947 -8.224 -21.034 1.00 0.00 C ATOM 511 O TYR X 33 15.142 -7.401 -21.470 1.00 0.00 O ATOM 512 CB TYR X 33 16.178 -8.447 -18.558 1.00 0.00 C ATOM 513 CG TYR X 33 15.815 -6.985 -18.527 1.00 0.00 C ATOM 514 CD1 TYR X 33 14.547 -6.587 -18.085 1.00 0.00 C ATOM 515 CD2 TYR X 33 16.747 -6.023 -18.938 1.00 0.00 C ATOM 516 CE1 TYR X 33 14.210 -5.228 -18.054 1.00 0.00 C ATOM 517 CE2 TYR X 33 16.410 -4.664 -18.907 1.00 0.00 C ATOM 518 CZ TYR X 33 15.142 -4.268 -18.465 1.00 0.00 C ATOM 519 OH TYR X 33 14.810 -2.928 -18.436 1.00 0.00 O ATOM 0 H TYR X 33 16.912 -10.642 -19.320 1.00 0.00 H new ATOM 0 HA TYR X 33 14.519 -9.161 -19.746 1.00 0.00 H new ATOM 0 HB2 TYR X 33 15.787 -8.949 -17.673 1.00 0.00 H new ATOM 0 HB3 TYR X 33 17.261 -8.564 -18.538 1.00 0.00 H new ATOM 0 HD1 TYR X 33 13.829 -7.329 -17.768 1.00 0.00 H new ATOM 0 HD2 TYR X 33 17.725 -6.329 -19.279 1.00 0.00 H new ATOM 0 HE1 TYR X 33 13.232 -4.921 -17.713 1.00 0.00 H new ATOM 0 HE2 TYR X 33 17.128 -3.922 -19.224 1.00 0.00 H new ATOM 0 HH TYR X 33 14.071 -2.761 -19.057 1.00 0.00 H new ATOM 529 N ALA X 34 17.147 -8.410 -21.564 1.00 0.00 N ATOM 530 CA ALA X 34 17.593 -7.631 -22.714 1.00 0.00 C ATOM 531 C ALA X 34 16.646 -7.841 -23.903 1.00 0.00 C ATOM 532 O ALA X 34 16.347 -6.897 -24.634 1.00 0.00 O ATOM 533 CB ALA X 34 19.016 -8.048 -23.100 1.00 0.00 C ATOM 0 H ALA X 34 17.827 -9.088 -21.220 1.00 0.00 H new ATOM 0 HA ALA X 34 17.586 -6.574 -22.447 1.00 0.00 H new ATOM 0 HB1 ALA X 34 19.346 -7.464 -23.959 1.00 0.00 H new ATOM 0 HB2 ALA X 34 19.688 -7.869 -22.260 1.00 0.00 H new ATOM 0 HB3 ALA X 34 19.028 -9.108 -23.355 1.00 0.00 H new ATOM 539 N ASN X 35 16.165 -9.073 -24.088 1.00 0.00 N ATOM 540 CA ASN X 35 15.253 -9.354 -25.181 1.00 0.00 C ATOM 541 C ASN X 35 13.986 -8.516 -25.027 1.00 0.00 C ATOM 542 O ASN X 35 13.535 -7.872 -25.974 1.00 0.00 O ATOM 543 CB ASN X 35 14.894 -10.840 -25.187 1.00 0.00 C ATOM 544 CG ASN X 35 14.285 -11.222 -26.534 1.00 0.00 C ATOM 545 OD1 ASN X 35 13.240 -11.872 -26.577 1.00 0.00 O ATOM 546 ND2 ASN X 35 14.876 -10.857 -27.646 1.00 0.00 N ATOM 0 H ASN X 35 16.392 -9.876 -23.501 1.00 0.00 H new ATOM 0 HA ASN X 35 15.737 -9.099 -26.124 1.00 0.00 H new ATOM 0 HB2 ASN X 35 15.785 -11.439 -24.998 1.00 0.00 H new ATOM 0 HB3 ASN X 35 14.188 -11.056 -24.385 1.00 0.00 H new ATOM 0 HD21 ASN X 35 14.470 -11.111 -28.547 1.00 0.00 H new ATOM 0 HD22 ASN X 35 15.742 -10.319 -27.611 1.00 0.00 H new ATOM 553 N ASP X 36 13.424 -8.525 -23.820 1.00 0.00 N ATOM 554 CA ASP X 36 12.217 -7.760 -23.537 1.00 0.00 C ATOM 555 C ASP X 36 12.491 -6.260 -23.610 1.00 0.00 C ATOM 556 O ASP X 36 11.575 -5.465 -23.824 1.00 0.00 O ATOM 557 CB ASP X 36 11.699 -8.119 -22.141 1.00 0.00 C ATOM 558 CG ASP X 36 11.839 -9.619 -21.912 1.00 0.00 C ATOM 559 OD1 ASP X 36 11.923 -10.343 -22.891 1.00 0.00 O ATOM 560 OD2 ASP X 36 11.860 -10.022 -20.761 1.00 0.00 O ATOM 0 H ASP X 36 13.786 -9.053 -23.026 1.00 0.00 H new ATOM 0 HA ASP X 36 11.467 -8.010 -24.287 1.00 0.00 H new ATOM 0 HB2 ASP X 36 12.259 -7.572 -21.383 1.00 0.00 H new ATOM 0 HB3 ASP X 36 10.655 -7.822 -22.042 1.00 0.00 H new ATOM 565 N ASN X 37 13.750 -5.878 -23.404 1.00 0.00 N ATOM 566 CA ASN X 37 14.123 -4.467 -23.422 1.00 0.00 C ATOM 567 C ASN X 37 14.440 -3.997 -24.851 1.00 0.00 C ATOM 568 O ASN X 37 14.261 -2.825 -25.175 1.00 0.00 O ATOM 569 CB ASN X 37 15.342 -4.272 -22.494 1.00 0.00 C ATOM 570 CG ASN X 37 14.952 -3.499 -21.233 1.00 0.00 C ATOM 571 OD1 ASN X 37 13.867 -3.705 -20.690 1.00 0.00 O ATOM 572 ND2 ASN X 37 15.777 -2.617 -20.739 1.00 0.00 N ATOM 0 H ASN X 37 14.522 -6.520 -23.224 1.00 0.00 H new ATOM 0 HA ASN X 37 13.288 -3.864 -23.065 1.00 0.00 H new ATOM 0 HB2 ASN X 37 15.752 -5.243 -22.217 1.00 0.00 H new ATOM 0 HB3 ASN X 37 16.127 -3.735 -23.026 1.00 0.00 H new ATOM 0 HD21 ASN X 37 15.524 -2.095 -19.900 1.00 0.00 H new ATOM 0 HD22 ASN X 37 16.675 -2.449 -21.192 1.00 0.00 H new ATOM 579 N GLY X 38 14.873 -4.920 -25.712 1.00 0.00 N ATOM 580 CA GLY X 38 15.172 -4.581 -27.108 1.00 0.00 C ATOM 581 C GLY X 38 16.675 -4.543 -27.404 1.00 0.00 C ATOM 582 O GLY X 38 17.094 -4.892 -28.507 1.00 0.00 O ATOM 0 H GLY X 38 15.024 -5.900 -25.472 1.00 0.00 H new ATOM 0 HA2 GLY X 38 14.696 -5.310 -27.764 1.00 0.00 H new ATOM 0 HA3 GLY X 38 14.736 -3.610 -27.342 1.00 0.00 H new ATOM 586 N VAL X 39 17.487 -4.103 -26.440 1.00 0.00 N ATOM 587 CA VAL X 39 18.934 -4.020 -26.675 1.00 0.00 C ATOM 588 C VAL X 39 19.593 -5.392 -26.510 1.00 0.00 C ATOM 589 O VAL X 39 19.737 -5.900 -25.401 1.00 0.00 O ATOM 590 CB VAL X 39 19.575 -2.982 -25.725 1.00 0.00 C ATOM 591 CG1 VAL X 39 19.068 -3.170 -24.292 1.00 0.00 C ATOM 592 CG2 VAL X 39 21.101 -3.122 -25.734 1.00 0.00 C ATOM 0 H VAL X 39 17.181 -3.806 -25.513 1.00 0.00 H new ATOM 0 HA VAL X 39 19.097 -3.693 -27.702 1.00 0.00 H new ATOM 0 HB VAL X 39 19.295 -1.990 -26.078 1.00 0.00 H new ATOM 0 HG11 VAL X 39 19.532 -2.429 -23.642 1.00 0.00 H new ATOM 0 HG12 VAL X 39 17.985 -3.045 -24.270 1.00 0.00 H new ATOM 0 HG13 VAL X 39 19.325 -4.170 -23.944 1.00 0.00 H new ATOM 0 HG21 VAL X 39 21.538 -2.385 -25.061 1.00 0.00 H new ATOM 0 HG22 VAL X 39 21.376 -4.124 -25.404 1.00 0.00 H new ATOM 0 HG23 VAL X 39 21.476 -2.958 -26.744 1.00 0.00 H new ATOM 602 N ASP X 40 20.004 -5.979 -27.638 1.00 0.00 N ATOM 603 CA ASP X 40 20.663 -7.292 -27.642 1.00 0.00 C ATOM 604 C ASP X 40 21.981 -7.213 -28.417 1.00 0.00 C ATOM 605 O ASP X 40 21.969 -7.045 -29.637 1.00 0.00 O ATOM 606 CB ASP X 40 19.737 -8.332 -28.291 1.00 0.00 C ATOM 607 CG ASP X 40 20.156 -9.746 -27.895 1.00 0.00 C ATOM 608 OD1 ASP X 40 19.758 -10.183 -26.828 1.00 0.00 O ATOM 609 OD2 ASP X 40 20.866 -10.371 -28.665 1.00 0.00 O ATOM 0 H ASP X 40 19.892 -5.565 -28.564 1.00 0.00 H new ATOM 0 HA ASP X 40 20.874 -7.590 -26.615 1.00 0.00 H new ATOM 0 HB2 ASP X 40 18.707 -8.152 -27.983 1.00 0.00 H new ATOM 0 HB3 ASP X 40 19.768 -8.228 -29.376 1.00 0.00 H new ATOM 614 N GLY X 41 23.120 -7.325 -27.720 1.00 0.00 N ATOM 615 CA GLY X 41 24.423 -7.249 -28.393 1.00 0.00 C ATOM 616 C GLY X 41 25.427 -8.243 -27.801 1.00 0.00 C ATOM 617 O GLY X 41 25.042 -9.262 -27.228 1.00 0.00 O ATOM 0 H GLY X 41 23.167 -7.466 -26.711 1.00 0.00 H new ATOM 0 HA2 GLY X 41 24.295 -7.451 -29.456 1.00 0.00 H new ATOM 0 HA3 GLY X 41 24.819 -6.237 -28.306 1.00 0.00 H new ATOM 621 N GLU X 42 26.724 -7.939 -27.950 1.00 0.00 N ATOM 622 CA GLU X 42 27.762 -8.807 -27.435 1.00 0.00 C ATOM 623 C GLU X 42 27.860 -8.669 -25.920 1.00 0.00 C ATOM 624 O GLU X 42 27.898 -7.561 -25.387 1.00 0.00 O ATOM 625 CB GLU X 42 29.105 -8.462 -28.083 1.00 0.00 C ATOM 626 CG GLU X 42 28.888 -8.130 -29.561 1.00 0.00 C ATOM 627 CD GLU X 42 28.151 -9.273 -30.250 1.00 0.00 C ATOM 628 OE1 GLU X 42 28.538 -10.412 -30.041 1.00 0.00 O ATOM 629 OE2 GLU X 42 27.212 -8.995 -30.974 1.00 0.00 O ATOM 0 H GLU X 42 27.066 -7.102 -28.422 1.00 0.00 H new ATOM 0 HA GLU X 42 27.509 -9.839 -27.677 1.00 0.00 H new ATOM 0 HB2 GLU X 42 29.560 -7.614 -27.572 1.00 0.00 H new ATOM 0 HB3 GLU X 42 29.794 -9.301 -27.985 1.00 0.00 H new ATOM 0 HG2 GLU X 42 28.314 -7.208 -29.655 1.00 0.00 H new ATOM 0 HG3 GLU X 42 29.848 -7.959 -30.048 1.00 0.00 H new ATOM 636 N TRP X 43 27.877 -9.806 -25.236 1.00 0.00 N ATOM 637 CA TRP X 43 27.941 -9.829 -23.778 1.00 0.00 C ATOM 638 C TRP X 43 29.359 -10.035 -23.271 1.00 0.00 C ATOM 639 O TRP X 43 30.242 -10.504 -23.992 1.00 0.00 O ATOM 640 CB TRP X 43 27.057 -10.961 -23.253 1.00 0.00 C ATOM 641 CG TRP X 43 25.620 -10.588 -23.426 1.00 0.00 C ATOM 642 CD1 TRP X 43 24.882 -10.793 -24.540 1.00 0.00 C ATOM 643 CD2 TRP X 43 24.745 -9.939 -22.468 1.00 0.00 C ATOM 644 NE1 TRP X 43 23.606 -10.303 -24.326 1.00 0.00 N ATOM 645 CE2 TRP X 43 23.472 -9.772 -23.060 1.00 0.00 C ATOM 646 CE3 TRP X 43 24.934 -9.486 -21.156 1.00 0.00 C ATOM 647 CZ2 TRP X 43 22.421 -9.173 -22.371 1.00 0.00 C ATOM 648 CZ3 TRP X 43 23.881 -8.886 -20.458 1.00 0.00 C ATOM 649 CH2 TRP X 43 22.624 -8.729 -21.062 1.00 0.00 C ATOM 0 H TRP X 43 27.847 -10.729 -25.669 1.00 0.00 H new ATOM 0 HA TRP X 43 27.591 -8.862 -23.416 1.00 0.00 H new ATOM 0 HB2 TRP X 43 27.272 -11.885 -23.791 1.00 0.00 H new ATOM 0 HB3 TRP X 43 27.272 -11.147 -22.201 1.00 0.00 H new ATOM 0 HD1 TRP X 43 25.231 -11.262 -25.448 1.00 0.00 H new ATOM 0 HE1 TRP X 43 22.857 -10.331 -25.018 1.00 0.00 H new ATOM 0 HE3 TRP X 43 25.897 -9.601 -20.681 1.00 0.00 H new ATOM 0 HZ2 TRP X 43 21.458 -9.053 -22.844 1.00 0.00 H new ATOM 0 HZ3 TRP X 43 24.036 -8.541 -19.446 1.00 0.00 H new ATOM 0 HH2 TRP X 43 21.815 -8.266 -20.516 1.00 0.00 H new ATOM 660 N THR X 44 29.548 -9.686 -22.007 1.00 0.00 N ATOM 661 CA THR X 44 30.835 -9.824 -21.342 1.00 0.00 C ATOM 662 C THR X 44 30.604 -9.895 -19.832 1.00 0.00 C ATOM 663 O THR X 44 29.499 -9.613 -19.365 1.00 0.00 O ATOM 664 CB THR X 44 31.735 -8.632 -21.682 1.00 0.00 C ATOM 665 OG1 THR X 44 32.901 -8.676 -20.872 1.00 0.00 O ATOM 666 CG2 THR X 44 30.986 -7.320 -21.426 1.00 0.00 C ATOM 0 H THR X 44 28.814 -9.299 -21.414 1.00 0.00 H new ATOM 0 HA THR X 44 31.328 -10.735 -21.682 1.00 0.00 H new ATOM 0 HB THR X 44 32.015 -8.684 -22.734 1.00 0.00 H new ATOM 0 HG1 THR X 44 33.479 -7.915 -21.089 1.00 0.00 H new ATOM 0 HG21 THR X 44 31.633 -6.478 -21.670 1.00 0.00 H new ATOM 0 HG22 THR X 44 30.092 -7.284 -22.049 1.00 0.00 H new ATOM 0 HG23 THR X 44 30.699 -7.264 -20.376 1.00 0.00 H new ATOM 674 N TYR X 45 31.624 -10.265 -19.063 1.00 0.00 N ATOM 675 CA TYR X 45 31.447 -10.347 -17.620 1.00 0.00 C ATOM 676 C TYR X 45 32.770 -10.559 -16.898 1.00 0.00 C ATOM 677 O TYR X 45 33.570 -11.417 -17.270 1.00 0.00 O ATOM 678 CB TYR X 45 30.488 -11.496 -17.285 1.00 0.00 C ATOM 679 CG TYR X 45 30.508 -11.790 -15.793 1.00 0.00 C ATOM 680 CD1 TYR X 45 30.211 -10.779 -14.872 1.00 0.00 C ATOM 681 CD2 TYR X 45 30.814 -13.081 -15.338 1.00 0.00 C ATOM 682 CE1 TYR X 45 30.219 -11.057 -13.502 1.00 0.00 C ATOM 683 CE2 TYR X 45 30.823 -13.357 -13.967 1.00 0.00 C ATOM 684 CZ TYR X 45 30.526 -12.346 -13.049 1.00 0.00 C ATOM 685 OH TYR X 45 30.531 -12.622 -11.697 1.00 0.00 O ATOM 0 H TYR X 45 32.555 -10.506 -19.403 1.00 0.00 H new ATOM 0 HA TYR X 45 31.031 -9.399 -17.280 1.00 0.00 H new ATOM 0 HB2 TYR X 45 29.476 -11.236 -17.597 1.00 0.00 H new ATOM 0 HB3 TYR X 45 30.773 -12.389 -17.841 1.00 0.00 H new ATOM 0 HD1 TYR X 45 29.976 -9.784 -15.220 1.00 0.00 H new ATOM 0 HD2 TYR X 45 31.043 -13.863 -16.047 1.00 0.00 H new ATOM 0 HE1 TYR X 45 29.988 -10.277 -12.792 1.00 0.00 H new ATOM 0 HE2 TYR X 45 31.059 -14.351 -13.618 1.00 0.00 H new ATOM 0 HH TYR X 45 29.627 -12.507 -11.336 1.00 0.00 H new ATOM 695 N ASP X 46 32.962 -9.787 -15.831 1.00 0.00 N ATOM 696 CA ASP X 46 34.153 -9.900 -15.004 1.00 0.00 C ATOM 697 C ASP X 46 33.721 -10.166 -13.555 1.00 0.00 C ATOM 698 O ASP X 46 33.123 -9.303 -12.912 1.00 0.00 O ATOM 699 CB ASP X 46 34.976 -8.607 -15.082 1.00 0.00 C ATOM 700 CG ASP X 46 36.063 -8.632 -14.016 1.00 0.00 C ATOM 701 OD1 ASP X 46 36.478 -9.720 -13.647 1.00 0.00 O ATOM 702 OD2 ASP X 46 36.465 -7.566 -13.583 1.00 0.00 O ATOM 0 H ASP X 46 32.302 -9.074 -15.521 1.00 0.00 H new ATOM 0 HA ASP X 46 34.774 -10.722 -15.361 1.00 0.00 H new ATOM 0 HB2 ASP X 46 35.424 -8.507 -16.071 1.00 0.00 H new ATOM 0 HB3 ASP X 46 34.329 -7.742 -14.936 1.00 0.00 H new ATOM 707 N ASP X 47 34.016 -11.366 -13.049 1.00 0.00 N ATOM 708 CA ASP X 47 33.637 -11.721 -11.685 1.00 0.00 C ATOM 709 C ASP X 47 34.434 -10.911 -10.668 1.00 0.00 C ATOM 710 O ASP X 47 34.068 -10.840 -9.495 1.00 0.00 O ATOM 711 CB ASP X 47 33.877 -13.214 -11.449 1.00 0.00 C ATOM 712 CG ASP X 47 33.206 -13.652 -10.153 1.00 0.00 C ATOM 713 OD1 ASP X 47 33.714 -13.302 -9.099 1.00 0.00 O ATOM 714 OD2 ASP X 47 32.194 -14.328 -10.230 1.00 0.00 O ATOM 0 H ASP X 47 34.510 -12.098 -13.558 1.00 0.00 H new ATOM 0 HA ASP X 47 32.579 -11.494 -11.557 1.00 0.00 H new ATOM 0 HB2 ASP X 47 33.482 -13.791 -12.285 1.00 0.00 H new ATOM 0 HB3 ASP X 47 34.947 -13.415 -11.400 1.00 0.00 H new ATOM 719 N ALA X 48 35.525 -10.306 -11.122 1.00 0.00 N ATOM 720 CA ALA X 48 36.367 -9.509 -10.238 1.00 0.00 C ATOM 721 C ALA X 48 35.763 -8.119 -10.007 1.00 0.00 C ATOM 722 O ALA X 48 36.192 -7.396 -9.107 1.00 0.00 O ATOM 723 CB ALA X 48 37.762 -9.364 -10.841 1.00 0.00 C ATOM 0 H ALA X 48 35.846 -10.351 -12.089 1.00 0.00 H new ATOM 0 HA ALA X 48 36.432 -10.022 -9.279 1.00 0.00 H new ATOM 0 HB1 ALA X 48 38.386 -8.767 -10.175 1.00 0.00 H new ATOM 0 HB2 ALA X 48 38.208 -10.351 -10.969 1.00 0.00 H new ATOM 0 HB3 ALA X 48 37.690 -8.870 -11.810 1.00 0.00 H new ATOM 729 N THR X 49 34.768 -7.743 -10.824 1.00 0.00 N ATOM 730 CA THR X 49 34.122 -6.429 -10.693 1.00 0.00 C ATOM 731 C THR X 49 32.600 -6.581 -10.613 1.00 0.00 C ATOM 732 O THR X 49 31.879 -5.584 -10.555 1.00 0.00 O ATOM 733 CB THR X 49 34.494 -5.532 -11.895 1.00 0.00 C ATOM 734 OG1 THR X 49 34.513 -6.318 -13.078 1.00 0.00 O ATOM 735 CG2 THR X 49 35.876 -4.908 -11.680 1.00 0.00 C ATOM 0 H THR X 49 34.396 -8.324 -11.575 1.00 0.00 H new ATOM 0 HA THR X 49 34.476 -5.963 -9.773 1.00 0.00 H new ATOM 0 HB THR X 49 33.755 -4.736 -11.989 1.00 0.00 H new ATOM 0 HG1 THR X 49 35.438 -6.430 -13.381 1.00 0.00 H new ATOM 0 HG21 THR X 49 36.128 -4.278 -12.533 1.00 0.00 H new ATOM 0 HG22 THR X 49 35.865 -4.303 -10.773 1.00 0.00 H new ATOM 0 HG23 THR X 49 36.620 -5.698 -11.580 1.00 0.00 H new ATOM 743 N LYS X 50 32.111 -7.826 -10.610 1.00 0.00 N ATOM 744 CA LYS X 50 30.671 -8.063 -10.537 1.00 0.00 C ATOM 745 C LYS X 50 29.920 -7.077 -11.438 1.00 0.00 C ATOM 746 O LYS X 50 29.067 -6.326 -10.964 1.00 0.00 O ATOM 747 CB LYS X 50 30.179 -7.898 -9.090 1.00 0.00 C ATOM 748 CG LYS X 50 31.142 -8.583 -8.106 1.00 0.00 C ATOM 749 CD LYS X 50 31.035 -10.102 -8.251 1.00 0.00 C ATOM 750 CE LYS X 50 31.861 -10.780 -7.157 1.00 0.00 C ATOM 751 NZ LYS X 50 31.595 -12.246 -7.175 1.00 0.00 N ATOM 0 H LYS X 50 32.682 -8.670 -10.657 1.00 0.00 H new ATOM 0 HA LYS X 50 30.476 -9.081 -10.875 1.00 0.00 H new ATOM 0 HB2 LYS X 50 30.096 -6.839 -8.847 1.00 0.00 H new ATOM 0 HB3 LYS X 50 29.182 -8.327 -8.989 1.00 0.00 H new ATOM 0 HG2 LYS X 50 32.165 -8.261 -8.300 1.00 0.00 H new ATOM 0 HG3 LYS X 50 30.903 -8.288 -7.084 1.00 0.00 H new ATOM 0 HD2 LYS X 50 29.993 -10.412 -8.179 1.00 0.00 H new ATOM 0 HD3 LYS X 50 31.392 -10.410 -9.234 1.00 0.00 H new ATOM 0 HE2 LYS X 50 32.922 -10.590 -7.316 1.00 0.00 H new ATOM 0 HE3 LYS X 50 31.605 -10.364 -6.182 1.00 0.00 H new ATOM 0 HZ1 LYS X 50 32.103 -12.701 -6.389 1.00 0.00 H new ATOM 0 HZ2 LYS X 50 30.574 -12.415 -7.071 1.00 0.00 H new ATOM 0 HZ3 LYS X 50 31.922 -12.647 -8.077 1.00 0.00 H new ATOM 765 N THR X 51 30.246 -7.068 -12.735 1.00 0.00 N ATOM 766 CA THR X 51 29.589 -6.145 -13.672 1.00 0.00 C ATOM 767 C THR X 51 29.449 -6.752 -15.078 1.00 0.00 C ATOM 768 O THR X 51 30.430 -7.214 -15.665 1.00 0.00 O ATOM 769 CB THR X 51 30.400 -4.842 -13.762 1.00 0.00 C ATOM 770 OG1 THR X 51 30.471 -4.241 -12.477 1.00 0.00 O ATOM 771 CG2 THR X 51 29.723 -3.876 -14.742 1.00 0.00 C ATOM 0 H THR X 51 30.948 -7.677 -13.156 1.00 0.00 H new ATOM 0 HA THR X 51 28.587 -5.947 -13.291 1.00 0.00 H new ATOM 0 HB THR X 51 31.406 -5.067 -14.117 1.00 0.00 H new ATOM 0 HG1 THR X 51 31.110 -4.733 -11.921 1.00 0.00 H new ATOM 0 HG21 THR X 51 30.301 -2.954 -14.802 1.00 0.00 H new ATOM 0 HG22 THR X 51 29.670 -4.336 -15.729 1.00 0.00 H new ATOM 0 HG23 THR X 51 28.716 -3.650 -14.393 1.00 0.00 H new ATOM 779 N PHE X 52 28.221 -6.720 -15.622 1.00 0.00 N ATOM 780 CA PHE X 52 27.948 -7.232 -16.962 1.00 0.00 C ATOM 781 C PHE X 52 27.695 -6.063 -17.909 1.00 0.00 C ATOM 782 O PHE X 52 27.273 -4.995 -17.472 1.00 0.00 O ATOM 783 CB PHE X 52 26.700 -8.114 -16.928 1.00 0.00 C ATOM 784 CG PHE X 52 26.995 -9.398 -16.199 1.00 0.00 C ATOM 785 CD1 PHE X 52 27.193 -9.387 -14.814 1.00 0.00 C ATOM 786 CD2 PHE X 52 27.058 -10.608 -16.904 1.00 0.00 C ATOM 787 CE1 PHE X 52 27.452 -10.583 -14.135 1.00 0.00 C ATOM 788 CE2 PHE X 52 27.319 -11.803 -16.224 1.00 0.00 C ATOM 789 CZ PHE X 52 27.517 -11.790 -14.840 1.00 0.00 C ATOM 0 H PHE X 52 27.402 -6.341 -15.146 1.00 0.00 H new ATOM 0 HA PHE X 52 28.804 -7.813 -17.305 1.00 0.00 H new ATOM 0 HB2 PHE X 52 25.885 -7.585 -16.434 1.00 0.00 H new ATOM 0 HB3 PHE X 52 26.370 -8.331 -17.944 1.00 0.00 H new ATOM 0 HD1 PHE X 52 27.146 -8.456 -14.269 1.00 0.00 H new ATOM 0 HD2 PHE X 52 26.905 -10.618 -17.973 1.00 0.00 H new ATOM 0 HE1 PHE X 52 27.602 -10.574 -13.065 1.00 0.00 H new ATOM 0 HE2 PHE X 52 27.367 -12.735 -16.768 1.00 0.00 H new ATOM 0 HZ PHE X 52 27.720 -12.712 -14.315 1.00 0.00 H new ATOM 799 N THR X 53 27.934 -6.257 -19.206 1.00 0.00 N ATOM 800 CA THR X 53 27.695 -5.184 -20.176 1.00 0.00 C ATOM 801 C THR X 53 27.347 -5.774 -21.547 1.00 0.00 C ATOM 802 O THR X 53 28.074 -6.622 -22.062 1.00 0.00 O ATOM 803 CB THR X 53 28.925 -4.271 -20.316 1.00 0.00 C ATOM 804 OG1 THR X 53 29.975 -4.984 -20.943 1.00 0.00 O ATOM 805 CG2 THR X 53 29.396 -3.775 -18.943 1.00 0.00 C ATOM 0 H THR X 53 28.286 -7.127 -19.605 1.00 0.00 H new ATOM 0 HA THR X 53 26.859 -4.589 -19.808 1.00 0.00 H new ATOM 0 HB THR X 53 28.647 -3.408 -20.922 1.00 0.00 H new ATOM 0 HG1 THR X 53 30.758 -4.401 -21.033 1.00 0.00 H new ATOM 0 HG21 THR X 53 30.267 -3.131 -19.068 1.00 0.00 H new ATOM 0 HG22 THR X 53 28.594 -3.212 -18.465 1.00 0.00 H new ATOM 0 HG23 THR X 53 29.662 -4.629 -18.319 1.00 0.00 H new ATOM 813 N VAL X 54 26.240 -5.308 -22.149 1.00 0.00 N ATOM 814 CA VAL X 54 25.827 -5.789 -23.473 1.00 0.00 C ATOM 815 C VAL X 54 25.939 -4.647 -24.486 1.00 0.00 C ATOM 816 O VAL X 54 25.370 -3.573 -24.289 1.00 0.00 O ATOM 817 CB VAL X 54 24.386 -6.315 -23.418 1.00 0.00 C ATOM 818 CG1 VAL X 54 23.426 -5.161 -23.119 1.00 0.00 C ATOM 819 CG2 VAL X 54 24.019 -6.956 -24.764 1.00 0.00 C ATOM 0 H VAL X 54 25.622 -4.606 -21.743 1.00 0.00 H new ATOM 0 HA VAL X 54 26.480 -6.606 -23.781 1.00 0.00 H new ATOM 0 HB VAL X 54 24.306 -7.062 -22.629 1.00 0.00 H new ATOM 0 HG11 VAL X 54 22.404 -5.538 -23.081 1.00 0.00 H new ATOM 0 HG12 VAL X 54 23.683 -4.713 -22.159 1.00 0.00 H new ATOM 0 HG13 VAL X 54 23.506 -4.409 -23.904 1.00 0.00 H new ATOM 0 HG21 VAL X 54 22.996 -7.329 -24.722 1.00 0.00 H new ATOM 0 HG22 VAL X 54 24.102 -6.212 -25.556 1.00 0.00 H new ATOM 0 HG23 VAL X 54 24.698 -7.783 -24.970 1.00 0.00 H new ATOM 829 N THR X 55 26.705 -4.876 -25.557 1.00 0.00 N ATOM 830 CA THR X 55 26.925 -3.850 -26.592 1.00 0.00 C ATOM 831 C THR X 55 26.561 -4.375 -27.987 1.00 0.00 C ATOM 832 O THR X 55 27.144 -5.349 -28.461 1.00 0.00 O ATOM 833 CB THR X 55 28.401 -3.396 -26.568 1.00 0.00 C ATOM 834 OG1 THR X 55 28.522 -2.163 -27.261 1.00 0.00 O ATOM 835 CG2 THR X 55 29.306 -4.445 -27.238 1.00 0.00 C ATOM 0 H THR X 55 27.184 -5.759 -25.734 1.00 0.00 H new ATOM 0 HA THR X 55 26.276 -3.002 -26.374 1.00 0.00 H new ATOM 0 HB THR X 55 28.713 -3.278 -25.530 1.00 0.00 H new ATOM 0 HG1 THR X 55 29.457 -1.870 -27.247 1.00 0.00 H new ATOM 0 HG21 THR X 55 30.341 -4.104 -27.210 1.00 0.00 H new ATOM 0 HG22 THR X 55 29.221 -5.392 -26.705 1.00 0.00 H new ATOM 0 HG23 THR X 55 28.998 -4.583 -28.274 1.00 0.00 H new ATOM 843 N GLU X 56 25.600 -3.712 -28.650 1.00 0.00 N ATOM 844 CA GLU X 56 25.178 -4.111 -29.996 1.00 0.00 C ATOM 845 C GLU X 56 25.706 -3.117 -31.029 1.00 0.00 C ATOM 846 O GLU X 56 26.452 -3.537 -31.898 1.00 0.00 O ATOM 847 CB GLU X 56 23.645 -4.172 -30.069 1.00 0.00 C ATOM 848 CG GLU X 56 23.045 -3.042 -29.234 1.00 0.00 C ATOM 849 CD GLU X 56 21.524 -3.058 -29.351 1.00 0.00 C ATOM 850 OE1 GLU X 56 21.006 -3.995 -29.939 1.00 0.00 O ATOM 851 OE2 GLU X 56 20.899 -2.137 -28.853 1.00 0.00 O ATOM 852 OXT GLU X 56 25.356 -1.952 -30.936 1.00 0.00 O ATOM 0 H GLU X 56 25.105 -2.902 -28.276 1.00 0.00 H new ATOM 0 HA GLU X 56 25.586 -5.098 -30.213 1.00 0.00 H new ATOM 0 HB2 GLU X 56 23.317 -4.086 -31.105 1.00 0.00 H new ATOM 0 HB3 GLU X 56 23.292 -5.136 -29.702 1.00 0.00 H new ATOM 0 HG2 GLU X 56 23.339 -3.154 -28.190 1.00 0.00 H new ATOM 0 HG3 GLU X 56 23.434 -2.082 -29.573 1.00 0.00 H new TER 859 GLU X 56