USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 624 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 60 ASN : amide:sc= 0.763 K(o=1.3,f=-1.6) USER MOD Set 1.2: A 62 GLN : amide:sc= 0.57 K(o=1.3,f=-0.48) USER MOD Set 2.1: A 55 THR OG1 : rot -90:sc= 2.05 USER MOD Set 2.2: A 57 SER OG : rot -18:sc= 0.684 USER MOD Set 3.1: A 22 THR OG1 : rot -19:sc= 0.367 USER MOD Set 3.2: A 25 ASN :FLIP amide:sc= 0.384 F(o=-0.68,f=0.75) USER MOD Set 4.1: A 7 THR OG1 : rot 96:sc= -0.0314 USER MOD Set 4.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Set 5.1: A 6 LYS NZ :NH3+ 157:sc= 0.473 (180deg=-0.0747) USER MOD Set 5.2: A 68 HIS : no HE2:sc= -1.07 K(o=-0.6,f=-2.1) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 164:sc= 2.04 (180deg=1.47) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0128) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 165:sc= 1.22 (180deg=1.07) USER MOD Single : A 29 LYS NZ :NH3+ -177:sc= 1.19 (180deg=1.18) USER MOD Single : A 31 GLN :FLIP amide:sc= -0.131 F(o=-1.3,f=-0.13) USER MOD Single : A 33 LYS NZ :NH3+ 148:sc= 1.74 (180deg=0.363) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.075) USER MOD Single : A 41 ASN : amide:sc= 0.349 K(o=0.35,f=-0.62) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -3.02! C(o=-3!,f=-3!) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -78:sc= 1.3 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.486 -2.150 4.107 1.00 0.00 N ATOM 2 CA MET A 1 -13.202 -2.666 2.754 1.00 0.00 C ATOM 3 C MET A 1 -11.940 -3.520 2.768 1.00 0.00 C ATOM 4 O MET A 1 -11.150 -3.436 3.703 1.00 0.00 O ATOM 5 CB MET A 1 -12.903 -1.510 1.777 1.00 0.00 C ATOM 6 CG MET A 1 -14.108 -0.675 1.366 1.00 0.00 C ATOM 7 SD MET A 1 -14.829 0.358 2.652 1.00 0.00 S ATOM 8 CE MET A 1 -16.534 0.457 2.061 1.00 0.00 C ATOM 0 H1 MET A 1 -14.169 -1.368 4.044 1.00 0.00 H new ATOM 0 H2 MET A 1 -13.885 -2.912 4.692 1.00 0.00 H new ATOM 0 H3 MET A 1 -12.605 -1.806 4.539 1.00 0.00 H new ATOM 0 HA MET A 1 -14.079 -3.235 2.445 1.00 0.00 H new ATOM 0 HB2 MET A 1 -12.165 -0.851 2.235 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.446 -1.925 0.879 1.00 0.00 H new ATOM 0 HG2 MET A 1 -13.814 -0.034 0.535 1.00 0.00 H new ATOM 0 HG3 MET A 1 -14.880 -1.347 0.992 1.00 0.00 H new ATOM 0 HE1 MET A 1 -17.122 1.066 2.748 1.00 0.00 H new ATOM 0 HE2 MET A 1 -16.550 0.910 1.070 1.00 0.00 H new ATOM 0 HE3 MET A 1 -16.960 -0.545 2.009 1.00 0.00 H new ATOM 18 N GLN A 2 -11.702 -4.332 1.735 1.00 0.00 N ATOM 19 CA GLN A 2 -10.484 -5.125 1.614 1.00 0.00 C ATOM 20 C GLN A 2 -9.938 -4.899 0.209 1.00 0.00 C ATOM 21 O GLN A 2 -10.702 -4.628 -0.724 1.00 0.00 O ATOM 22 CB GLN A 2 -10.630 -6.608 1.985 1.00 0.00 C ATOM 23 CG GLN A 2 -11.546 -7.448 1.111 1.00 0.00 C ATOM 24 CD GLN A 2 -11.261 -8.930 1.341 1.00 0.00 C ATOM 25 OE1 GLN A 2 -11.188 -9.429 2.463 1.00 0.00 O ATOM 26 NE2 GLN A 2 -11.021 -9.664 0.280 1.00 0.00 N ATOM 0 H GLN A 2 -12.352 -4.456 0.959 1.00 0.00 H new ATOM 0 HA GLN A 2 -9.768 -4.783 2.361 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -9.638 -7.061 1.971 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -10.992 -6.667 3.011 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -12.588 -7.228 1.343 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -11.393 -7.197 0.061 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -11.081 -9.251 -0.650 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -10.774 -10.648 0.386 1.00 0.00 H new ATOM 35 N ILE A 3 -8.618 -4.969 0.064 1.00 0.00 N ATOM 36 CA ILE A 3 -7.921 -4.774 -1.204 1.00 0.00 C ATOM 37 C ILE A 3 -6.781 -5.784 -1.298 1.00 0.00 C ATOM 38 O ILE A 3 -6.413 -6.421 -0.303 1.00 0.00 O ATOM 39 CB ILE A 3 -7.421 -3.312 -1.384 1.00 0.00 C ATOM 40 CG1 ILE A 3 -6.111 -2.945 -0.646 1.00 0.00 C ATOM 41 CG2 ILE A 3 -8.507 -2.263 -1.069 1.00 0.00 C ATOM 42 CD1 ILE A 3 -6.118 -3.172 0.864 1.00 0.00 C ATOM 0 H ILE A 3 -7.989 -5.167 0.842 1.00 0.00 H new ATOM 0 HA ILE A 3 -8.621 -4.945 -2.022 1.00 0.00 H new ATOM 0 HB ILE A 3 -7.182 -3.282 -2.447 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -5.296 -3.526 -1.079 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -5.890 -1.895 -0.836 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -8.099 -1.262 -1.212 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -9.357 -2.407 -1.736 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -8.834 -2.377 -0.035 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -5.153 -2.883 1.280 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -6.904 -2.570 1.319 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -6.302 -4.226 1.073 1.00 0.00 H new ATOM 54 N PHE A 4 -6.218 -5.916 -2.496 1.00 0.00 N ATOM 55 CA PHE A 4 -5.116 -6.819 -2.766 1.00 0.00 C ATOM 56 C PHE A 4 -3.841 -5.982 -2.872 1.00 0.00 C ATOM 57 O PHE A 4 -3.896 -4.800 -3.213 1.00 0.00 O ATOM 58 CB PHE A 4 -5.436 -7.637 -4.026 1.00 0.00 C ATOM 59 CG PHE A 4 -6.794 -8.306 -3.977 1.00 0.00 C ATOM 60 CD1 PHE A 4 -7.035 -9.318 -3.028 1.00 0.00 C ATOM 61 CD2 PHE A 4 -7.823 -7.897 -4.847 1.00 0.00 C ATOM 62 CE1 PHE A 4 -8.293 -9.941 -2.972 1.00 0.00 C ATOM 63 CE2 PHE A 4 -9.085 -8.508 -4.777 1.00 0.00 C ATOM 64 CZ PHE A 4 -9.311 -9.544 -3.856 1.00 0.00 C ATOM 0 H PHE A 4 -6.523 -5.389 -3.314 1.00 0.00 H new ATOM 0 HA PHE A 4 -4.963 -7.544 -1.966 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -5.392 -6.982 -4.897 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -4.668 -8.399 -4.161 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -6.254 -9.615 -2.344 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -7.641 -7.114 -5.568 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -8.477 -10.724 -2.251 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -9.881 -8.182 -5.430 1.00 0.00 H new ATOM 0 HZ PHE A 4 -10.271 -10.038 -3.827 1.00 0.00 H new ATOM 74 N VAL A 5 -2.702 -6.572 -2.527 1.00 0.00 N ATOM 75 CA VAL A 5 -1.370 -5.994 -2.546 1.00 0.00 C ATOM 76 C VAL A 5 -0.409 -7.090 -3.023 1.00 0.00 C ATOM 77 O VAL A 5 -0.043 -7.980 -2.249 1.00 0.00 O ATOM 78 CB VAL A 5 -0.967 -5.433 -1.163 1.00 0.00 C ATOM 79 CG1 VAL A 5 0.377 -4.697 -1.274 1.00 0.00 C ATOM 80 CG2 VAL A 5 -2.002 -4.467 -0.562 1.00 0.00 C ATOM 0 H VAL A 5 -2.689 -7.539 -2.203 1.00 0.00 H new ATOM 0 HA VAL A 5 -1.336 -5.142 -3.224 1.00 0.00 H new ATOM 0 HB VAL A 5 -0.899 -6.293 -0.497 1.00 0.00 H new ATOM 0 HG11 VAL A 5 0.658 -4.303 -0.297 1.00 0.00 H new ATOM 0 HG12 VAL A 5 1.144 -5.390 -1.620 1.00 0.00 H new ATOM 0 HG13 VAL A 5 0.284 -3.875 -1.984 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -1.651 -4.115 0.408 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -2.137 -3.616 -1.230 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -2.953 -4.984 -0.437 1.00 0.00 H new ATOM 90 N LYS A 6 0.031 -6.997 -4.279 1.00 0.00 N ATOM 91 CA LYS A 6 0.950 -7.945 -4.888 1.00 0.00 C ATOM 92 C LYS A 6 2.328 -7.587 -4.336 1.00 0.00 C ATOM 93 O LYS A 6 2.642 -6.400 -4.193 1.00 0.00 O ATOM 94 CB LYS A 6 0.920 -7.750 -6.412 1.00 0.00 C ATOM 95 CG LYS A 6 1.602 -8.852 -7.236 1.00 0.00 C ATOM 96 CD LYS A 6 0.674 -10.010 -7.628 1.00 0.00 C ATOM 97 CE LYS A 6 -0.330 -9.690 -8.748 1.00 0.00 C ATOM 98 NZ LYS A 6 0.295 -9.264 -10.023 1.00 0.00 N ATOM 0 H LYS A 6 -0.250 -6.245 -4.908 1.00 0.00 H new ATOM 0 HA LYS A 6 0.693 -8.982 -4.672 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -0.120 -7.674 -6.730 1.00 0.00 H new ATOM 0 HB3 LYS A 6 1.396 -6.798 -6.648 1.00 0.00 H new ATOM 0 HG2 LYS A 6 2.015 -8.409 -8.142 1.00 0.00 H new ATOM 0 HG3 LYS A 6 2.441 -9.251 -6.665 1.00 0.00 H new ATOM 0 HD2 LYS A 6 1.286 -10.856 -7.941 1.00 0.00 H new ATOM 0 HD3 LYS A 6 0.120 -10.327 -6.744 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -0.943 -10.572 -8.934 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -1.001 -8.903 -8.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -0.364 -9.440 -10.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 0.517 -8.249 -9.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 1.170 -9.804 -10.178 1.00 0.00 H new ATOM 112 N THR A 7 3.148 -8.585 -4.031 1.00 0.00 N ATOM 113 CA THR A 7 4.471 -8.385 -3.460 1.00 0.00 C ATOM 114 C THR A 7 5.586 -8.594 -4.482 1.00 0.00 C ATOM 115 O THR A 7 5.347 -9.099 -5.585 1.00 0.00 O ATOM 116 CB THR A 7 4.594 -9.262 -2.204 1.00 0.00 C ATOM 117 OG1 THR A 7 4.649 -10.627 -2.542 1.00 0.00 O ATOM 118 CG2 THR A 7 3.410 -9.070 -1.245 1.00 0.00 C ATOM 0 H THR A 7 2.909 -9.566 -4.175 1.00 0.00 H new ATOM 0 HA THR A 7 4.593 -7.345 -3.159 1.00 0.00 H new ATOM 0 HB THR A 7 5.516 -8.951 -1.712 1.00 0.00 H new ATOM 0 HG1 THR A 7 5.584 -10.918 -2.576 1.00 0.00 H new ATOM 0 HG21 THR A 7 3.541 -9.710 -0.372 1.00 0.00 H new ATOM 0 HG22 THR A 7 3.364 -8.028 -0.927 1.00 0.00 H new ATOM 0 HG23 THR A 7 2.483 -9.335 -1.754 1.00 0.00 H new ATOM 126 N LEU A 8 6.819 -8.221 -4.116 1.00 0.00 N ATOM 127 CA LEU A 8 7.992 -8.349 -4.979 1.00 0.00 C ATOM 128 C LEU A 8 8.280 -9.799 -5.357 1.00 0.00 C ATOM 129 O LEU A 8 8.872 -10.019 -6.414 1.00 0.00 O ATOM 130 CB LEU A 8 9.238 -7.734 -4.323 1.00 0.00 C ATOM 131 CG LEU A 8 9.287 -6.197 -4.370 1.00 0.00 C ATOM 132 CD1 LEU A 8 10.517 -5.728 -3.597 1.00 0.00 C ATOM 133 CD2 LEU A 8 9.391 -5.658 -5.802 1.00 0.00 C ATOM 0 H LEU A 8 7.028 -7.818 -3.203 1.00 0.00 H new ATOM 0 HA LEU A 8 7.758 -7.801 -5.892 1.00 0.00 H new ATOM 0 HB2 LEU A 8 9.282 -8.055 -3.282 1.00 0.00 H new ATOM 0 HB3 LEU A 8 10.126 -8.129 -4.816 1.00 0.00 H new ATOM 0 HG LEU A 8 8.361 -5.823 -3.933 1.00 0.00 H new ATOM 0 HD11 LEU A 8 10.568 -4.639 -3.620 1.00 0.00 H new ATOM 0 HD12 LEU A 8 10.448 -6.066 -2.563 1.00 0.00 H new ATOM 0 HD13 LEU A 8 11.415 -6.143 -4.055 1.00 0.00 H new ATOM 0 HD21 LEU A 8 9.422 -4.569 -5.779 1.00 0.00 H new ATOM 0 HD22 LEU A 8 10.300 -6.038 -6.268 1.00 0.00 H new ATOM 0 HD23 LEU A 8 8.525 -5.984 -6.377 1.00 0.00 H new ATOM 145 N THR A 9 7.865 -10.780 -4.549 1.00 0.00 N ATOM 146 CA THR A 9 8.079 -12.193 -4.850 1.00 0.00 C ATOM 147 C THR A 9 7.037 -12.684 -5.877 1.00 0.00 C ATOM 148 O THR A 9 7.015 -13.870 -6.205 1.00 0.00 O ATOM 149 CB THR A 9 8.081 -13.022 -3.548 1.00 0.00 C ATOM 150 OG1 THR A 9 6.844 -12.927 -2.869 1.00 0.00 O ATOM 151 CG2 THR A 9 9.180 -12.575 -2.581 1.00 0.00 C ATOM 0 H THR A 9 7.373 -10.614 -3.671 1.00 0.00 H new ATOM 0 HA THR A 9 9.059 -12.327 -5.309 1.00 0.00 H new ATOM 0 HB THR A 9 8.262 -14.052 -3.856 1.00 0.00 H new ATOM 0 HG1 THR A 9 6.878 -13.464 -2.050 1.00 0.00 H new ATOM 0 HG21 THR A 9 9.142 -13.187 -1.680 1.00 0.00 H new ATOM 0 HG22 THR A 9 10.153 -12.691 -3.058 1.00 0.00 H new ATOM 0 HG23 THR A 9 9.028 -11.529 -2.316 1.00 0.00 H new ATOM 159 N GLY A 10 6.169 -11.794 -6.379 1.00 0.00 N ATOM 160 CA GLY A 10 5.116 -12.066 -7.353 1.00 0.00 C ATOM 161 C GLY A 10 3.870 -12.649 -6.693 1.00 0.00 C ATOM 162 O GLY A 10 2.980 -13.144 -7.389 1.00 0.00 O ATOM 0 H GLY A 10 6.188 -10.814 -6.098 1.00 0.00 H new ATOM 0 HA2 GLY A 10 4.854 -11.144 -7.872 1.00 0.00 H new ATOM 0 HA3 GLY A 10 5.488 -12.761 -8.106 1.00 0.00 H new ATOM 166 N LYS A 11 3.823 -12.644 -5.360 1.00 0.00 N ATOM 167 CA LYS A 11 2.730 -13.170 -4.562 1.00 0.00 C ATOM 168 C LYS A 11 1.578 -12.180 -4.474 1.00 0.00 C ATOM 169 O LYS A 11 1.764 -11.005 -4.779 1.00 0.00 O ATOM 170 CB LYS A 11 3.278 -13.449 -3.164 1.00 0.00 C ATOM 171 CG LYS A 11 2.653 -14.699 -2.548 1.00 0.00 C ATOM 172 CD LYS A 11 3.049 -14.822 -1.080 1.00 0.00 C ATOM 173 CE LYS A 11 2.354 -13.751 -0.236 1.00 0.00 C ATOM 174 NZ LYS A 11 2.670 -13.940 1.190 1.00 0.00 N ATOM 0 H LYS A 11 4.577 -12.258 -4.791 1.00 0.00 H new ATOM 0 HA LYS A 11 2.343 -14.078 -5.025 1.00 0.00 H new ATOM 0 HB2 LYS A 11 4.360 -13.571 -3.216 1.00 0.00 H new ATOM 0 HB3 LYS A 11 3.085 -12.591 -2.520 1.00 0.00 H new ATOM 0 HG2 LYS A 11 1.568 -14.652 -2.636 1.00 0.00 H new ATOM 0 HG3 LYS A 11 2.979 -15.584 -3.095 1.00 0.00 H new ATOM 0 HD2 LYS A 11 2.784 -15.812 -0.709 1.00 0.00 H new ATOM 0 HD3 LYS A 11 4.130 -14.724 -0.981 1.00 0.00 H new ATOM 0 HE2 LYS A 11 2.674 -12.760 -0.558 1.00 0.00 H new ATOM 0 HE3 LYS A 11 1.276 -13.803 -0.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 2.152 -13.238 1.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 2.390 -14.897 1.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 3.692 -13.818 1.338 1.00 0.00 H new ATOM 188 N THR A 12 0.446 -12.612 -3.923 1.00 0.00 N ATOM 189 CA THR A 12 -0.754 -11.800 -3.766 1.00 0.00 C ATOM 190 C THR A 12 -1.232 -11.960 -2.309 1.00 0.00 C ATOM 191 O THR A 12 -1.357 -13.084 -1.815 1.00 0.00 O ATOM 192 CB THR A 12 -1.775 -12.227 -4.864 1.00 0.00 C ATOM 193 OG1 THR A 12 -1.102 -12.607 -6.049 1.00 0.00 O ATOM 194 CG2 THR A 12 -2.764 -11.159 -5.355 1.00 0.00 C ATOM 0 H THR A 12 0.337 -13.561 -3.565 1.00 0.00 H new ATOM 0 HA THR A 12 -0.592 -10.733 -3.918 1.00 0.00 H new ATOM 0 HB THR A 12 -2.324 -13.018 -4.353 1.00 0.00 H new ATOM 0 HG1 THR A 12 -1.758 -12.874 -6.727 1.00 0.00 H new ATOM 0 HG21 THR A 12 -3.415 -11.589 -6.116 1.00 0.00 H new ATOM 0 HG22 THR A 12 -3.367 -10.809 -4.517 1.00 0.00 H new ATOM 0 HG23 THR A 12 -2.213 -10.321 -5.781 1.00 0.00 H new ATOM 202 N ILE A 13 -1.416 -10.849 -1.585 1.00 0.00 N ATOM 203 CA ILE A 13 -1.868 -10.757 -0.189 1.00 0.00 C ATOM 204 C ILE A 13 -3.155 -9.906 -0.152 1.00 0.00 C ATOM 205 O ILE A 13 -3.418 -9.132 -1.073 1.00 0.00 O ATOM 206 CB ILE A 13 -0.732 -10.140 0.683 1.00 0.00 C ATOM 207 CG1 ILE A 13 0.544 -11.014 0.626 1.00 0.00 C ATOM 208 CG2 ILE A 13 -1.144 -9.936 2.154 1.00 0.00 C ATOM 209 CD1 ILE A 13 1.732 -10.474 1.436 1.00 0.00 C ATOM 0 H ILE A 13 -1.241 -9.927 -1.985 1.00 0.00 H new ATOM 0 HA ILE A 13 -2.093 -11.742 0.219 1.00 0.00 H new ATOM 0 HB ILE A 13 -0.529 -9.157 0.258 1.00 0.00 H new ATOM 0 HG12 ILE A 13 0.300 -12.013 0.988 1.00 0.00 H new ATOM 0 HG13 ILE A 13 0.850 -11.118 -0.415 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -0.311 -9.504 2.709 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -2.000 -9.263 2.202 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -1.413 -10.897 2.593 1.00 0.00 H new ATOM 0 HD11 ILE A 13 2.579 -11.152 1.336 1.00 0.00 H new ATOM 0 HD12 ILE A 13 2.010 -9.489 1.062 1.00 0.00 H new ATOM 0 HD13 ILE A 13 1.451 -10.397 2.486 1.00 0.00 H new ATOM 221 N THR A 14 -3.964 -10.033 0.899 1.00 0.00 N ATOM 222 CA THR A 14 -5.204 -9.288 1.106 1.00 0.00 C ATOM 223 C THR A 14 -5.056 -8.507 2.420 1.00 0.00 C ATOM 224 O THR A 14 -4.436 -9.019 3.354 1.00 0.00 O ATOM 225 CB THR A 14 -6.379 -10.271 1.179 1.00 0.00 C ATOM 226 OG1 THR A 14 -6.321 -11.206 0.115 1.00 0.00 O ATOM 227 CG2 THR A 14 -7.729 -9.556 1.098 1.00 0.00 C ATOM 0 H THR A 14 -3.765 -10.683 1.659 1.00 0.00 H new ATOM 0 HA THR A 14 -5.397 -8.596 0.286 1.00 0.00 H new ATOM 0 HB THR A 14 -6.294 -10.778 2.140 1.00 0.00 H new ATOM 0 HG1 THR A 14 -7.078 -11.824 0.181 1.00 0.00 H new ATOM 0 HG21 THR A 14 -8.533 -10.290 1.153 1.00 0.00 H new ATOM 0 HG22 THR A 14 -7.820 -8.855 1.928 1.00 0.00 H new ATOM 0 HG23 THR A 14 -7.797 -9.013 0.155 1.00 0.00 H new ATOM 235 N LEU A 15 -5.567 -7.274 2.496 1.00 0.00 N ATOM 236 CA LEU A 15 -5.527 -6.422 3.691 1.00 0.00 C ATOM 237 C LEU A 15 -6.910 -5.784 3.837 1.00 0.00 C ATOM 238 O LEU A 15 -7.604 -5.618 2.832 1.00 0.00 O ATOM 239 CB LEU A 15 -4.501 -5.271 3.601 1.00 0.00 C ATOM 240 CG LEU A 15 -3.080 -5.561 3.091 1.00 0.00 C ATOM 241 CD1 LEU A 15 -2.323 -4.232 2.976 1.00 0.00 C ATOM 242 CD2 LEU A 15 -2.270 -6.470 4.015 1.00 0.00 C ATOM 0 H LEU A 15 -6.033 -6.828 1.706 1.00 0.00 H new ATOM 0 HA LEU A 15 -5.238 -7.052 4.532 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -4.928 -4.502 2.957 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -4.408 -4.838 4.597 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.190 -6.072 2.135 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.312 -4.419 2.615 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.842 -3.577 2.277 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.276 -3.754 3.955 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.279 -6.630 3.590 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.174 -6.001 4.994 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -2.779 -7.428 4.120 1.00 0.00 H new ATOM 254 N GLU A 16 -7.288 -5.386 5.051 1.00 0.00 N ATOM 255 CA GLU A 16 -8.568 -4.741 5.349 1.00 0.00 C ATOM 256 C GLU A 16 -8.259 -3.265 5.619 1.00 0.00 C ATOM 257 O GLU A 16 -7.345 -2.974 6.385 1.00 0.00 O ATOM 258 CB GLU A 16 -9.247 -5.442 6.530 1.00 0.00 C ATOM 259 CG GLU A 16 -10.664 -4.893 6.727 1.00 0.00 C ATOM 260 CD GLU A 16 -11.371 -5.580 7.889 1.00 0.00 C ATOM 261 OE1 GLU A 16 -12.123 -6.553 7.655 1.00 0.00 O ATOM 262 OE2 GLU A 16 -11.254 -5.099 9.041 1.00 0.00 O ATOM 0 H GLU A 16 -6.699 -5.506 5.875 1.00 0.00 H new ATOM 0 HA GLU A 16 -9.273 -4.814 4.521 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -9.287 -6.516 6.351 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -8.661 -5.292 7.437 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -10.617 -3.820 6.911 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -11.241 -5.035 5.813 1.00 0.00 H new ATOM 269 N VAL A 17 -8.968 -2.330 4.993 1.00 0.00 N ATOM 270 CA VAL A 17 -8.787 -0.881 5.094 1.00 0.00 C ATOM 271 C VAL A 17 -10.129 -0.144 5.023 1.00 0.00 C ATOM 272 O VAL A 17 -11.143 -0.760 4.705 1.00 0.00 O ATOM 273 CB VAL A 17 -7.929 -0.437 3.882 1.00 0.00 C ATOM 274 CG1 VAL A 17 -6.518 -1.051 3.890 1.00 0.00 C ATOM 275 CG2 VAL A 17 -8.623 -0.759 2.531 1.00 0.00 C ATOM 0 H VAL A 17 -9.731 -2.576 4.363 1.00 0.00 H new ATOM 0 HA VAL A 17 -8.314 -0.645 6.047 1.00 0.00 H new ATOM 0 HB VAL A 17 -7.828 0.644 3.982 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -5.965 -0.703 3.017 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -5.994 -0.747 4.796 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -6.594 -2.138 3.862 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -7.987 -0.431 1.708 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -8.790 -1.833 2.455 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -9.579 -0.239 2.480 1.00 0.00 H new ATOM 285 N GLU A 18 -10.132 1.171 5.254 1.00 0.00 N ATOM 286 CA GLU A 18 -11.314 2.022 5.177 1.00 0.00 C ATOM 287 C GLU A 18 -10.965 3.258 4.333 1.00 0.00 C ATOM 288 O GLU A 18 -9.786 3.600 4.214 1.00 0.00 O ATOM 289 CB GLU A 18 -11.850 2.414 6.558 1.00 0.00 C ATOM 290 CG GLU A 18 -12.346 1.259 7.457 1.00 0.00 C ATOM 291 CD GLU A 18 -13.584 0.481 6.973 1.00 0.00 C ATOM 292 OE1 GLU A 18 -14.354 -0.032 7.821 1.00 0.00 O ATOM 293 OE2 GLU A 18 -13.794 0.300 5.755 1.00 0.00 O ATOM 0 H GLU A 18 -9.287 1.684 5.506 1.00 0.00 H new ATOM 0 HA GLU A 18 -12.120 1.463 4.702 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -11.063 2.948 7.091 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -12.673 3.115 6.418 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -11.527 0.550 7.581 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -12.566 1.667 8.443 1.00 0.00 H new ATOM 300 N PRO A 19 -11.958 3.960 3.761 1.00 0.00 N ATOM 301 CA PRO A 19 -11.745 5.139 2.923 1.00 0.00 C ATOM 302 C PRO A 19 -10.921 6.247 3.595 1.00 0.00 C ATOM 303 O PRO A 19 -10.055 6.851 2.954 1.00 0.00 O ATOM 304 CB PRO A 19 -13.148 5.622 2.531 1.00 0.00 C ATOM 305 CG PRO A 19 -14.005 4.364 2.672 1.00 0.00 C ATOM 306 CD PRO A 19 -13.376 3.637 3.838 1.00 0.00 C ATOM 0 HA PRO A 19 -11.143 4.875 2.054 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -13.496 6.421 3.186 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -13.170 6.012 1.513 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -15.049 4.609 2.868 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -13.984 3.761 1.765 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -13.805 3.964 4.785 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -13.541 2.562 3.768 1.00 0.00 H new ATOM 314 N SER A 20 -11.196 6.537 4.870 1.00 0.00 N ATOM 315 CA SER A 20 -10.497 7.570 5.635 1.00 0.00 C ATOM 316 C SER A 20 -9.216 7.066 6.294 1.00 0.00 C ATOM 317 O SER A 20 -8.514 7.888 6.892 1.00 0.00 O ATOM 318 CB SER A 20 -11.426 8.204 6.681 1.00 0.00 C ATOM 319 OG SER A 20 -12.091 9.314 6.108 1.00 0.00 O ATOM 0 H SER A 20 -11.919 6.055 5.405 1.00 0.00 H new ATOM 0 HA SER A 20 -10.200 8.332 4.914 1.00 0.00 H new ATOM 0 HB2 SER A 20 -12.153 7.471 7.030 1.00 0.00 H new ATOM 0 HB3 SER A 20 -10.850 8.520 7.551 1.00 0.00 H new ATOM 0 HG SER A 20 -12.686 9.719 6.774 1.00 0.00 H new ATOM 325 N ASP A 21 -8.907 5.764 6.252 1.00 0.00 N ATOM 326 CA ASP A 21 -7.667 5.294 6.866 1.00 0.00 C ATOM 327 C ASP A 21 -6.522 5.926 6.070 1.00 0.00 C ATOM 328 O ASP A 21 -6.530 5.937 4.831 1.00 0.00 O ATOM 329 CB ASP A 21 -7.590 3.753 6.959 1.00 0.00 C ATOM 330 CG ASP A 21 -8.089 3.185 8.299 1.00 0.00 C ATOM 331 OD1 ASP A 21 -8.299 1.955 8.413 1.00 0.00 O ATOM 332 OD2 ASP A 21 -8.295 3.966 9.256 1.00 0.00 O ATOM 0 H ASP A 21 -9.479 5.041 5.814 1.00 0.00 H new ATOM 0 HA ASP A 21 -7.607 5.605 7.909 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -8.178 3.320 6.150 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -6.557 3.440 6.805 1.00 0.00 H new ATOM 337 N THR A 22 -5.578 6.552 6.777 1.00 0.00 N ATOM 338 CA THR A 22 -4.456 7.196 6.112 1.00 0.00 C ATOM 339 C THR A 22 -3.561 6.112 5.527 1.00 0.00 C ATOM 340 O THR A 22 -3.579 4.972 6.003 1.00 0.00 O ATOM 341 CB THR A 22 -3.708 8.173 7.034 1.00 0.00 C ATOM 342 OG1 THR A 22 -3.144 7.531 8.154 1.00 0.00 O ATOM 343 CG2 THR A 22 -4.633 9.278 7.543 1.00 0.00 C ATOM 0 H THR A 22 -5.572 6.623 7.794 1.00 0.00 H new ATOM 0 HA THR A 22 -4.822 7.823 5.299 1.00 0.00 H new ATOM 0 HB THR A 22 -2.910 8.598 6.424 1.00 0.00 H new ATOM 0 HG1 THR A 22 -3.586 6.667 8.293 1.00 0.00 H new ATOM 0 HG21 THR A 22 -4.073 9.951 8.192 1.00 0.00 H new ATOM 0 HG22 THR A 22 -5.031 9.838 6.697 1.00 0.00 H new ATOM 0 HG23 THR A 22 -5.455 8.834 8.104 1.00 0.00 H new ATOM 351 N ILE A 23 -2.722 6.464 4.552 1.00 0.00 N ATOM 352 CA ILE A 23 -1.815 5.511 3.910 1.00 0.00 C ATOM 353 C ILE A 23 -0.879 4.837 4.934 1.00 0.00 C ATOM 354 O ILE A 23 -0.342 3.763 4.655 1.00 0.00 O ATOM 355 CB ILE A 23 -1.124 6.207 2.716 1.00 0.00 C ATOM 356 CG1 ILE A 23 -2.150 6.705 1.664 1.00 0.00 C ATOM 357 CG2 ILE A 23 -0.096 5.305 2.024 1.00 0.00 C ATOM 358 CD1 ILE A 23 -3.166 5.667 1.162 1.00 0.00 C ATOM 0 H ILE A 23 -2.652 7.414 4.186 1.00 0.00 H new ATOM 0 HA ILE A 23 -2.366 4.668 3.492 1.00 0.00 H new ATOM 0 HB ILE A 23 -0.602 7.064 3.142 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -2.700 7.543 2.092 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -1.600 7.090 0.805 1.00 0.00 H new ATOM 0 HG21 ILE A 23 0.359 5.843 1.193 1.00 0.00 H new ATOM 0 HG22 ILE A 23 0.677 5.019 2.738 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -0.592 4.410 1.649 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -3.829 6.131 0.432 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -2.637 4.836 0.695 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -3.753 5.297 2.002 1.00 0.00 H new ATOM 370 N GLU A 24 -0.710 5.431 6.120 1.00 0.00 N ATOM 371 CA GLU A 24 0.096 4.918 7.221 1.00 0.00 C ATOM 372 C GLU A 24 -0.498 3.579 7.669 1.00 0.00 C ATOM 373 O GLU A 24 0.229 2.613 7.853 1.00 0.00 O ATOM 374 CB GLU A 24 0.018 5.901 8.397 1.00 0.00 C ATOM 375 CG GLU A 24 0.575 7.292 8.096 1.00 0.00 C ATOM 376 CD GLU A 24 2.099 7.385 8.201 1.00 0.00 C ATOM 377 OE1 GLU A 24 2.578 8.244 8.976 1.00 0.00 O ATOM 378 OE2 GLU A 24 2.828 6.689 7.463 1.00 0.00 O ATOM 0 H GLU A 24 -1.153 6.322 6.344 1.00 0.00 H new ATOM 0 HA GLU A 24 1.132 4.794 6.904 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -1.023 5.999 8.704 1.00 0.00 H new ATOM 0 HB3 GLU A 24 0.562 5.480 9.243 1.00 0.00 H new ATOM 0 HG2 GLU A 24 0.271 7.585 7.091 1.00 0.00 H new ATOM 0 HG3 GLU A 24 0.129 8.009 8.785 1.00 0.00 H new ATOM 385 N ASN A 25 -1.828 3.509 7.785 1.00 0.00 N ATOM 386 CA ASN A 25 -2.585 2.324 8.198 1.00 0.00 C ATOM 387 C ASN A 25 -2.306 1.193 7.238 1.00 0.00 C ATOM 388 O ASN A 25 -1.941 0.086 7.614 1.00 0.00 O ATOM 389 CB ASN A 25 -4.105 2.571 8.173 1.00 0.00 C ATOM 390 CG ASN A 25 -4.466 3.562 9.239 1.00 0.00 C ATOM 391 OD1 ASN A 25 -4.198 4.815 8.967 1.00 0.00 O flip ATOM 392 ND2 ASN A 25 -4.902 3.218 10.330 1.00 0.00 N flip ATOM 0 H ASN A 25 -2.430 4.308 7.586 1.00 0.00 H new ATOM 0 HA ASN A 25 -2.274 2.085 9.215 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -4.408 2.946 7.195 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -4.639 1.635 8.335 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -5.101 2.234 10.512 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -5.066 3.915 11.056 1.00 0.00 H new ATOM 399 N VAL A 26 -2.499 1.495 5.962 1.00 0.00 N ATOM 400 CA VAL A 26 -2.315 0.589 4.850 1.00 0.00 C ATOM 401 C VAL A 26 -0.867 0.070 4.851 1.00 0.00 C ATOM 402 O VAL A 26 -0.620 -1.101 4.568 1.00 0.00 O ATOM 403 CB VAL A 26 -2.734 1.342 3.571 1.00 0.00 C ATOM 404 CG1 VAL A 26 -2.839 0.361 2.399 1.00 0.00 C ATOM 405 CG2 VAL A 26 -4.064 2.119 3.740 1.00 0.00 C ATOM 0 H VAL A 26 -2.802 2.423 5.666 1.00 0.00 H new ATOM 0 HA VAL A 26 -2.938 -0.303 4.919 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.961 2.082 3.366 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.135 0.900 1.499 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -1.872 -0.115 2.235 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.584 -0.401 2.628 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -4.308 2.629 2.808 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -4.863 1.422 3.992 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -3.957 2.853 4.538 1.00 0.00 H new ATOM 415 N LYS A 27 0.100 0.929 5.188 1.00 0.00 N ATOM 416 CA LYS A 27 1.520 0.601 5.253 1.00 0.00 C ATOM 417 C LYS A 27 1.759 -0.310 6.464 1.00 0.00 C ATOM 418 O LYS A 27 2.433 -1.327 6.340 1.00 0.00 O ATOM 419 CB LYS A 27 2.297 1.919 5.306 1.00 0.00 C ATOM 420 CG LYS A 27 3.793 1.816 4.993 1.00 0.00 C ATOM 421 CD LYS A 27 4.383 3.211 4.713 1.00 0.00 C ATOM 422 CE LYS A 27 3.932 4.203 5.795 1.00 0.00 C ATOM 423 NZ LYS A 27 4.660 5.481 5.796 1.00 0.00 N ATOM 0 H LYS A 27 -0.094 1.901 5.430 1.00 0.00 H new ATOM 0 HA LYS A 27 1.868 0.050 4.379 1.00 0.00 H new ATOM 0 HB2 LYS A 27 1.843 2.616 4.602 1.00 0.00 H new ATOM 0 HB3 LYS A 27 2.181 2.349 6.301 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.315 1.356 5.832 1.00 0.00 H new ATOM 0 HG3 LYS A 27 3.946 1.170 4.129 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.471 3.156 4.690 1.00 0.00 H new ATOM 0 HD3 LYS A 27 4.061 3.560 3.732 1.00 0.00 H new ATOM 0 HE2 LYS A 27 2.869 4.406 5.663 1.00 0.00 H new ATOM 0 HE3 LYS A 27 4.048 3.733 6.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 4.141 6.176 6.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 5.609 5.340 6.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 4.746 5.832 4.821 1.00 0.00 H new ATOM 437 N ALA A 28 1.177 0.014 7.617 1.00 0.00 N ATOM 438 CA ALA A 28 1.282 -0.753 8.847 1.00 0.00 C ATOM 439 C ALA A 28 0.749 -2.171 8.604 1.00 0.00 C ATOM 440 O ALA A 28 1.387 -3.157 8.982 1.00 0.00 O ATOM 441 CB ALA A 28 0.492 -0.029 9.950 1.00 0.00 C ATOM 0 H ALA A 28 0.600 0.849 7.719 1.00 0.00 H new ATOM 0 HA ALA A 28 2.321 -0.836 9.167 1.00 0.00 H new ATOM 0 HB1 ALA A 28 0.563 -0.595 10.879 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.906 0.968 10.100 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -0.554 0.053 9.654 1.00 0.00 H new ATOM 447 N LYS A 29 -0.399 -2.280 7.930 1.00 0.00 N ATOM 448 CA LYS A 29 -1.070 -3.535 7.604 1.00 0.00 C ATOM 449 C LYS A 29 -0.226 -4.419 6.689 1.00 0.00 C ATOM 450 O LYS A 29 -0.343 -5.644 6.787 1.00 0.00 O ATOM 451 CB LYS A 29 -2.445 -3.225 6.999 1.00 0.00 C ATOM 452 CG LYS A 29 -3.424 -2.717 8.074 1.00 0.00 C ATOM 453 CD LYS A 29 -4.550 -1.905 7.436 1.00 0.00 C ATOM 454 CE LYS A 29 -5.556 -1.381 8.469 1.00 0.00 C ATOM 455 NZ LYS A 29 -6.515 -2.404 8.934 1.00 0.00 N ATOM 0 H LYS A 29 -0.903 -1.464 7.585 1.00 0.00 H new ATOM 0 HA LYS A 29 -1.208 -4.109 8.520 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -2.340 -2.475 6.215 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -2.849 -4.122 6.530 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -3.843 -3.562 8.621 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -2.890 -2.102 8.798 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -4.123 -1.063 6.891 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -5.072 -2.525 6.707 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -5.011 -0.989 9.328 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -6.109 -0.548 8.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -7.195 -1.970 9.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -7.025 -2.798 8.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -6.001 -3.165 9.422 1.00 0.00 H new ATOM 469 N ILE A 30 0.588 -3.854 5.786 1.00 0.00 N ATOM 470 CA ILE A 30 1.435 -4.688 4.936 1.00 0.00 C ATOM 471 C ILE A 30 2.669 -5.080 5.758 1.00 0.00 C ATOM 472 O ILE A 30 3.075 -6.236 5.691 1.00 0.00 O ATOM 473 CB ILE A 30 1.739 -4.076 3.549 1.00 0.00 C ATOM 474 CG1 ILE A 30 2.585 -5.007 2.658 1.00 0.00 C ATOM 475 CG2 ILE A 30 2.428 -2.711 3.597 1.00 0.00 C ATOM 476 CD1 ILE A 30 1.917 -6.350 2.332 1.00 0.00 C ATOM 0 H ILE A 30 0.675 -2.850 5.631 1.00 0.00 H new ATOM 0 HA ILE A 30 0.898 -5.594 4.655 1.00 0.00 H new ATOM 0 HB ILE A 30 0.748 -3.943 3.116 1.00 0.00 H new ATOM 0 HG12 ILE A 30 2.810 -4.491 1.725 1.00 0.00 H new ATOM 0 HG13 ILE A 30 3.536 -5.199 3.154 1.00 0.00 H new ATOM 0 HG21 ILE A 30 2.604 -2.356 2.581 1.00 0.00 H new ATOM 0 HG22 ILE A 30 1.792 -2.001 4.125 1.00 0.00 H new ATOM 0 HG23 ILE A 30 3.380 -2.802 4.119 1.00 0.00 H new ATOM 0 HD11 ILE A 30 2.580 -6.943 1.702 1.00 0.00 H new ATOM 0 HD12 ILE A 30 1.717 -6.891 3.257 1.00 0.00 H new ATOM 0 HD13 ILE A 30 0.979 -6.172 1.806 1.00 0.00 H new ATOM 488 N GLN A 31 3.246 -4.188 6.581 1.00 0.00 N ATOM 489 CA GLN A 31 4.416 -4.521 7.406 1.00 0.00 C ATOM 490 C GLN A 31 4.074 -5.674 8.364 1.00 0.00 C ATOM 491 O GLN A 31 4.935 -6.495 8.677 1.00 0.00 O ATOM 492 CB GLN A 31 4.941 -3.288 8.155 1.00 0.00 C ATOM 493 CG GLN A 31 5.594 -2.274 7.208 1.00 0.00 C ATOM 494 CD GLN A 31 6.189 -1.113 8.002 1.00 0.00 C ATOM 495 OE1 GLN A 31 5.863 0.116 7.649 1.00 0.00 O flip ATOM 496 NE2 GLN A 31 6.883 -1.303 8.995 1.00 0.00 N flip ATOM 0 H GLN A 31 2.919 -3.228 6.692 1.00 0.00 H new ATOM 0 HA GLN A 31 5.221 -4.854 6.752 1.00 0.00 H new ATOM 0 HB2 GLN A 31 4.118 -2.810 8.687 1.00 0.00 H new ATOM 0 HB3 GLN A 31 5.666 -3.602 8.906 1.00 0.00 H new ATOM 0 HG2 GLN A 31 6.375 -2.762 6.624 1.00 0.00 H new ATOM 0 HG3 GLN A 31 4.855 -1.898 6.501 1.00 0.00 H new ATOM 0 HE21 GLN A 31 7.135 -2.253 9.267 1.00 0.00 H new ATOM 0 HE22 GLN A 31 7.209 -0.511 9.549 1.00 0.00 H new ATOM 505 N ASP A 32 2.804 -5.798 8.762 1.00 0.00 N ATOM 506 CA ASP A 32 2.277 -6.853 9.636 1.00 0.00 C ATOM 507 C ASP A 32 2.396 -8.242 8.966 1.00 0.00 C ATOM 508 O ASP A 32 2.222 -9.257 9.638 1.00 0.00 O ATOM 509 CB ASP A 32 0.823 -6.488 10.009 1.00 0.00 C ATOM 510 CG ASP A 32 -0.098 -7.658 10.376 1.00 0.00 C ATOM 511 OD1 ASP A 32 -0.943 -8.035 9.532 1.00 0.00 O ATOM 512 OD2 ASP A 32 -0.088 -8.131 11.532 1.00 0.00 O ATOM 0 H ASP A 32 2.083 -5.137 8.472 1.00 0.00 H new ATOM 0 HA ASP A 32 2.865 -6.919 10.552 1.00 0.00 H new ATOM 0 HB2 ASP A 32 0.849 -5.796 10.851 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.379 -5.953 9.170 1.00 0.00 H new ATOM 517 N LYS A 33 2.741 -8.313 7.672 1.00 0.00 N ATOM 518 CA LYS A 33 2.898 -9.547 6.891 1.00 0.00 C ATOM 519 C LYS A 33 4.204 -9.581 6.099 1.00 0.00 C ATOM 520 O LYS A 33 4.694 -10.666 5.778 1.00 0.00 O ATOM 521 CB LYS A 33 1.738 -9.654 5.889 1.00 0.00 C ATOM 522 CG LYS A 33 0.370 -9.707 6.574 1.00 0.00 C ATOM 523 CD LYS A 33 -0.761 -9.504 5.564 1.00 0.00 C ATOM 524 CE LYS A 33 -2.112 -9.229 6.228 1.00 0.00 C ATOM 525 NZ LYS A 33 -2.122 -7.996 7.043 1.00 0.00 N ATOM 0 H LYS A 33 2.926 -7.476 7.119 1.00 0.00 H new ATOM 0 HA LYS A 33 2.906 -10.376 7.599 1.00 0.00 H new ATOM 0 HB2 LYS A 33 1.768 -8.800 5.212 1.00 0.00 H new ATOM 0 HB3 LYS A 33 1.870 -10.549 5.280 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.247 -10.668 7.074 1.00 0.00 H new ATOM 0 HG3 LYS A 33 0.316 -8.938 7.345 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -0.509 -8.672 4.907 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -0.844 -10.391 4.937 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -2.879 -9.153 5.457 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -2.378 -10.076 6.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -3.070 -7.568 7.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -1.877 -8.228 8.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -1.427 -7.323 6.662 1.00 0.00 H new ATOM 539 N GLU A 34 4.765 -8.424 5.757 1.00 0.00 N ATOM 540 CA GLU A 34 5.995 -8.308 4.989 1.00 0.00 C ATOM 541 C GLU A 34 7.220 -8.203 5.902 1.00 0.00 C ATOM 542 O GLU A 34 8.312 -8.584 5.489 1.00 0.00 O ATOM 543 CB GLU A 34 5.861 -7.143 3.995 1.00 0.00 C ATOM 544 CG GLU A 34 6.730 -7.321 2.740 1.00 0.00 C ATOM 545 CD GLU A 34 6.156 -8.324 1.732 1.00 0.00 C ATOM 546 OE1 GLU A 34 5.822 -7.899 0.607 1.00 0.00 O ATOM 547 OE2 GLU A 34 6.120 -9.546 2.026 1.00 0.00 O ATOM 0 H GLU A 34 4.365 -7.522 6.014 1.00 0.00 H new ATOM 0 HA GLU A 34 6.156 -9.216 4.408 1.00 0.00 H new ATOM 0 HB2 GLU A 34 4.817 -7.046 3.697 1.00 0.00 H new ATOM 0 HB3 GLU A 34 6.138 -6.214 4.493 1.00 0.00 H new ATOM 0 HG2 GLU A 34 6.849 -6.354 2.250 1.00 0.00 H new ATOM 0 HG3 GLU A 34 7.725 -7.650 3.041 1.00 0.00 H new ATOM 554 N GLY A 35 7.058 -7.696 7.129 1.00 0.00 N ATOM 555 CA GLY A 35 8.122 -7.561 8.115 1.00 0.00 C ATOM 556 C GLY A 35 9.341 -6.779 7.634 1.00 0.00 C ATOM 557 O GLY A 35 10.462 -7.194 7.930 1.00 0.00 O ATOM 0 H GLY A 35 6.156 -7.361 7.467 1.00 0.00 H new ATOM 0 HA2 GLY A 35 7.718 -7.070 9.000 1.00 0.00 H new ATOM 0 HA3 GLY A 35 8.443 -8.556 8.421 1.00 0.00 H new ATOM 561 N ILE A 36 9.147 -5.697 6.878 1.00 0.00 N ATOM 562 CA ILE A 36 10.213 -4.839 6.352 1.00 0.00 C ATOM 563 C ILE A 36 9.902 -3.376 6.709 1.00 0.00 C ATOM 564 O ILE A 36 8.761 -3.081 7.083 1.00 0.00 O ATOM 565 CB ILE A 36 10.473 -5.121 4.851 1.00 0.00 C ATOM 566 CG1 ILE A 36 9.228 -5.222 3.950 1.00 0.00 C ATOM 567 CG2 ILE A 36 11.234 -6.449 4.743 1.00 0.00 C ATOM 568 CD1 ILE A 36 8.405 -3.939 3.842 1.00 0.00 C ATOM 0 H ILE A 36 8.215 -5.383 6.606 1.00 0.00 H new ATOM 0 HA ILE A 36 11.167 -5.070 6.826 1.00 0.00 H new ATOM 0 HB ILE A 36 11.028 -4.256 4.489 1.00 0.00 H new ATOM 0 HG12 ILE A 36 9.545 -5.518 2.950 1.00 0.00 H new ATOM 0 HG13 ILE A 36 8.586 -6.017 4.330 1.00 0.00 H new ATOM 0 HG21 ILE A 36 11.430 -6.672 3.694 1.00 0.00 H new ATOM 0 HG22 ILE A 36 12.179 -6.372 5.280 1.00 0.00 H new ATOM 0 HG23 ILE A 36 10.634 -7.249 5.178 1.00 0.00 H new ATOM 0 HD11 ILE A 36 7.550 -4.109 3.187 1.00 0.00 H new ATOM 0 HD12 ILE A 36 8.052 -3.649 4.832 1.00 0.00 H new ATOM 0 HD13 ILE A 36 9.025 -3.143 3.430 1.00 0.00 H new ATOM 580 N PRO A 37 10.869 -2.447 6.647 1.00 0.00 N ATOM 581 CA PRO A 37 10.643 -1.053 7.008 1.00 0.00 C ATOM 582 C PRO A 37 9.712 -0.302 6.046 1.00 0.00 C ATOM 583 O PRO A 37 9.472 -0.758 4.925 1.00 0.00 O ATOM 584 CB PRO A 37 12.037 -0.397 6.991 1.00 0.00 C ATOM 585 CG PRO A 37 13.025 -1.559 6.973 1.00 0.00 C ATOM 586 CD PRO A 37 12.246 -2.629 6.227 1.00 0.00 C ATOM 0 HA PRO A 37 10.147 -1.008 7.977 1.00 0.00 H new ATOM 0 HB2 PRO A 37 12.162 0.240 6.115 1.00 0.00 H new ATOM 0 HB3 PRO A 37 12.186 0.233 7.868 1.00 0.00 H new ATOM 0 HG2 PRO A 37 13.951 -1.298 6.461 1.00 0.00 H new ATOM 0 HG3 PRO A 37 13.296 -1.879 7.979 1.00 0.00 H new ATOM 0 HD2 PRO A 37 12.349 -2.513 5.148 1.00 0.00 H new ATOM 0 HD3 PRO A 37 12.607 -3.627 6.476 1.00 0.00 H new ATOM 594 N PRO A 38 9.212 0.887 6.441 1.00 0.00 N ATOM 595 CA PRO A 38 8.376 1.717 5.576 1.00 0.00 C ATOM 596 C PRO A 38 9.182 2.114 4.317 1.00 0.00 C ATOM 597 O PRO A 38 8.611 2.291 3.239 1.00 0.00 O ATOM 598 CB PRO A 38 7.998 2.954 6.402 1.00 0.00 C ATOM 599 CG PRO A 38 8.445 2.668 7.835 1.00 0.00 C ATOM 600 CD PRO A 38 9.409 1.491 7.748 1.00 0.00 C ATOM 0 HA PRO A 38 7.480 1.194 5.242 1.00 0.00 H new ATOM 0 HB2 PRO A 38 8.489 3.846 6.013 1.00 0.00 H new ATOM 0 HB3 PRO A 38 6.924 3.137 6.359 1.00 0.00 H new ATOM 0 HG2 PRO A 38 8.932 3.539 8.273 1.00 0.00 H new ATOM 0 HG3 PRO A 38 7.592 2.427 8.469 1.00 0.00 H new ATOM 0 HD2 PRO A 38 10.440 1.825 7.869 1.00 0.00 H new ATOM 0 HD3 PRO A 38 9.212 0.770 8.541 1.00 0.00 H new ATOM 608 N ASP A 39 10.494 2.325 4.512 1.00 0.00 N ATOM 609 CA ASP A 39 11.536 2.679 3.542 1.00 0.00 C ATOM 610 C ASP A 39 11.942 1.401 2.786 1.00 0.00 C ATOM 611 O ASP A 39 11.736 0.311 3.318 1.00 0.00 O ATOM 612 CB ASP A 39 12.713 3.256 4.330 1.00 0.00 C ATOM 613 CG ASP A 39 13.939 3.520 3.464 1.00 0.00 C ATOM 614 OD1 ASP A 39 14.842 2.657 3.449 1.00 0.00 O ATOM 615 OD2 ASP A 39 14.026 4.619 2.874 1.00 0.00 O ATOM 0 H ASP A 39 10.888 2.243 5.449 1.00 0.00 H new ATOM 0 HA ASP A 39 11.193 3.415 2.815 1.00 0.00 H new ATOM 0 HB2 ASP A 39 12.403 4.187 4.805 1.00 0.00 H new ATOM 0 HB3 ASP A 39 12.982 2.565 5.129 1.00 0.00 H new ATOM 620 N GLN A 40 12.590 1.482 1.610 1.00 0.00 N ATOM 621 CA GLN A 40 12.940 0.288 0.811 1.00 0.00 C ATOM 622 C GLN A 40 11.616 -0.384 0.400 1.00 0.00 C ATOM 623 O GLN A 40 11.528 -1.592 0.179 1.00 0.00 O ATOM 624 CB GLN A 40 13.985 -0.618 1.499 1.00 0.00 C ATOM 625 CG GLN A 40 14.569 -1.667 0.537 1.00 0.00 C ATOM 626 CD GLN A 40 15.770 -2.409 1.117 1.00 0.00 C ATOM 627 OE1 GLN A 40 15.853 -2.688 2.314 1.00 0.00 O ATOM 628 NE2 GLN A 40 16.728 -2.734 0.265 1.00 0.00 N ATOM 0 H GLN A 40 12.884 2.363 1.189 1.00 0.00 H new ATOM 0 HA GLN A 40 13.472 0.561 -0.100 1.00 0.00 H new ATOM 0 HB2 GLN A 40 14.792 -0.002 1.896 1.00 0.00 H new ATOM 0 HB3 GLN A 40 13.523 -1.123 2.347 1.00 0.00 H new ATOM 0 HG2 GLN A 40 13.793 -2.388 0.281 1.00 0.00 H new ATOM 0 HG3 GLN A 40 14.866 -1.176 -0.390 1.00 0.00 H new ATOM 0 HE21 GLN A 40 16.637 -2.492 -0.722 1.00 0.00 H new ATOM 0 HE22 GLN A 40 17.558 -3.226 0.595 1.00 0.00 H new ATOM 637 N ASN A 41 10.546 0.414 0.274 1.00 0.00 N ATOM 638 CA ASN A 41 9.223 -0.048 -0.086 1.00 0.00 C ATOM 639 C ASN A 41 8.344 1.138 -0.486 1.00 0.00 C ATOM 640 O ASN A 41 8.601 2.263 -0.049 1.00 0.00 O ATOM 641 CB ASN A 41 8.627 -0.742 1.155 1.00 0.00 C ATOM 642 CG ASN A 41 8.083 -2.119 0.844 1.00 0.00 C ATOM 643 OD1 ASN A 41 6.878 -2.327 0.897 1.00 0.00 O ATOM 644 ND2 ASN A 41 8.958 -3.059 0.513 1.00 0.00 N ATOM 0 H ASN A 41 10.591 1.422 0.426 1.00 0.00 H new ATOM 0 HA ASN A 41 9.273 -0.735 -0.931 1.00 0.00 H new ATOM 0 HB2 ASN A 41 9.394 -0.823 1.925 1.00 0.00 H new ATOM 0 HB3 ASN A 41 7.828 -0.123 1.565 1.00 0.00 H new ATOM 0 HD21 ASN A 41 8.635 -4.000 0.290 1.00 0.00 H new ATOM 0 HD22 ASN A 41 9.954 -2.841 0.482 1.00 0.00 H new ATOM 651 N ARG A 42 7.298 0.906 -1.287 1.00 0.00 N ATOM 652 CA ARG A 42 6.349 1.909 -1.756 1.00 0.00 C ATOM 653 C ARG A 42 5.116 1.189 -2.298 1.00 0.00 C ATOM 654 O ARG A 42 5.265 0.168 -2.971 1.00 0.00 O ATOM 655 CB ARG A 42 7.012 2.732 -2.868 1.00 0.00 C ATOM 656 CG ARG A 42 6.256 4.029 -3.183 1.00 0.00 C ATOM 657 CD ARG A 42 7.192 4.905 -4.027 1.00 0.00 C ATOM 658 NE ARG A 42 6.727 6.291 -4.218 1.00 0.00 N ATOM 659 CZ ARG A 42 6.586 7.233 -3.275 1.00 0.00 C ATOM 660 NH1 ARG A 42 6.873 6.998 -1.999 1.00 0.00 N ATOM 661 NH2 ARG A 42 6.163 8.438 -3.619 1.00 0.00 N ATOM 0 H ARG A 42 7.085 -0.028 -1.638 1.00 0.00 H new ATOM 0 HA ARG A 42 6.054 2.575 -0.945 1.00 0.00 H new ATOM 0 HB2 ARG A 42 8.033 2.975 -2.574 1.00 0.00 H new ATOM 0 HB3 ARG A 42 7.076 2.126 -3.772 1.00 0.00 H new ATOM 0 HG2 ARG A 42 5.335 3.816 -3.726 1.00 0.00 H new ATOM 0 HG3 ARG A 42 5.973 4.542 -2.264 1.00 0.00 H new ATOM 0 HD2 ARG A 42 8.173 4.927 -3.553 1.00 0.00 H new ATOM 0 HD3 ARG A 42 7.320 4.440 -5.005 1.00 0.00 H new ATOM 0 HE ARG A 42 6.486 6.563 -5.171 1.00 0.00 H new ATOM 0 HH11 ARG A 42 7.211 6.079 -1.713 1.00 0.00 H new ATOM 0 HH12 ARG A 42 6.755 7.736 -1.305 1.00 0.00 H new ATOM 0 HH21 ARG A 42 5.947 8.644 -4.595 1.00 0.00 H new ATOM 0 HH22 ARG A 42 6.052 9.162 -2.909 1.00 0.00 H new ATOM 675 N LEU A 43 3.919 1.703 -2.006 1.00 0.00 N ATOM 676 CA LEU A 43 2.655 1.130 -2.473 1.00 0.00 C ATOM 677 C LEU A 43 2.274 1.835 -3.769 1.00 0.00 C ATOM 678 O LEU A 43 2.484 3.042 -3.907 1.00 0.00 O ATOM 679 CB LEU A 43 1.520 1.348 -1.448 1.00 0.00 C ATOM 680 CG LEU A 43 1.361 0.275 -0.355 1.00 0.00 C ATOM 681 CD1 LEU A 43 0.893 -1.074 -0.913 1.00 0.00 C ATOM 682 CD2 LEU A 43 2.618 0.147 0.505 1.00 0.00 C ATOM 0 H LEU A 43 3.799 2.538 -1.432 1.00 0.00 H new ATOM 0 HA LEU A 43 2.786 0.057 -2.615 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.682 2.309 -0.960 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.579 1.421 -1.993 1.00 0.00 H new ATOM 0 HG LEU A 43 0.563 0.618 0.303 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.798 -1.792 -0.098 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.073 -0.950 -1.402 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.621 -1.441 -1.637 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.463 -0.620 1.263 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.463 -0.130 -0.125 1.00 0.00 H new ATOM 0 HD23 LEU A 43 2.825 1.101 0.991 1.00 0.00 H new ATOM 694 N ILE A 44 1.649 1.105 -4.690 1.00 0.00 N ATOM 695 CA ILE A 44 1.196 1.587 -5.990 1.00 0.00 C ATOM 696 C ILE A 44 -0.217 1.041 -6.213 1.00 0.00 C ATOM 697 O ILE A 44 -0.486 -0.069 -5.770 1.00 0.00 O ATOM 698 CB ILE A 44 2.140 1.051 -7.099 1.00 0.00 C ATOM 699 CG1 ILE A 44 3.645 1.309 -6.873 1.00 0.00 C ATOM 700 CG2 ILE A 44 1.745 1.538 -8.504 1.00 0.00 C ATOM 701 CD1 ILE A 44 4.108 2.769 -6.854 1.00 0.00 C ATOM 0 H ILE A 44 1.436 0.118 -4.543 1.00 0.00 H new ATOM 0 HA ILE A 44 1.200 2.677 -6.023 1.00 0.00 H new ATOM 0 HB ILE A 44 1.997 -0.027 -7.031 1.00 0.00 H new ATOM 0 HG12 ILE A 44 3.928 0.852 -5.925 1.00 0.00 H new ATOM 0 HG13 ILE A 44 4.198 0.789 -7.655 1.00 0.00 H new ATOM 0 HG21 ILE A 44 2.440 1.132 -9.239 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.735 1.201 -8.735 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.780 2.627 -8.535 1.00 0.00 H new ATOM 0 HD11 ILE A 44 5.184 2.807 -6.687 1.00 0.00 H new ATOM 0 HD12 ILE A 44 3.872 3.238 -7.809 1.00 0.00 H new ATOM 0 HD13 ILE A 44 3.597 3.302 -6.052 1.00 0.00 H new ATOM 713 N PHE A 45 -1.085 1.768 -6.921 1.00 0.00 N ATOM 714 CA PHE A 45 -2.462 1.422 -7.281 1.00 0.00 C ATOM 715 C PHE A 45 -2.612 1.892 -8.729 1.00 0.00 C ATOM 716 O PHE A 45 -2.701 3.093 -8.987 1.00 0.00 O ATOM 717 CB PHE A 45 -3.483 2.132 -6.379 1.00 0.00 C ATOM 718 CG PHE A 45 -4.898 2.034 -6.910 1.00 0.00 C ATOM 719 CD1 PHE A 45 -5.624 3.203 -7.201 1.00 0.00 C ATOM 720 CD2 PHE A 45 -5.463 0.775 -7.188 1.00 0.00 C ATOM 721 CE1 PHE A 45 -6.892 3.117 -7.794 1.00 0.00 C ATOM 722 CE2 PHE A 45 -6.721 0.692 -7.812 1.00 0.00 C ATOM 723 CZ PHE A 45 -7.434 1.864 -8.118 1.00 0.00 C ATOM 0 H PHE A 45 -0.823 2.684 -7.285 1.00 0.00 H new ATOM 0 HA PHE A 45 -2.650 0.355 -7.160 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -3.443 1.698 -5.380 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -3.208 3.182 -6.282 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -5.204 4.170 -6.967 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -4.931 -0.127 -6.922 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -7.452 4.017 -8.002 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -7.139 -0.273 -8.056 1.00 0.00 H new ATOM 0 HZ PHE A 45 -8.397 1.800 -8.602 1.00 0.00 H new ATOM 733 N ALA A 46 -2.649 0.966 -9.685 1.00 0.00 N ATOM 734 CA ALA A 46 -2.778 1.219 -11.117 1.00 0.00 C ATOM 735 C ALA A 46 -1.760 2.275 -11.563 1.00 0.00 C ATOM 736 O ALA A 46 -2.118 3.298 -12.153 1.00 0.00 O ATOM 737 CB ALA A 46 -4.227 1.587 -11.470 1.00 0.00 C ATOM 0 H ALA A 46 -2.587 -0.029 -9.471 1.00 0.00 H new ATOM 0 HA ALA A 46 -2.548 0.309 -11.671 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -4.305 1.772 -12.541 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -4.888 0.765 -11.195 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -4.518 2.485 -10.925 1.00 0.00 H new ATOM 743 N GLY A 47 -0.494 2.070 -11.205 1.00 0.00 N ATOM 744 CA GLY A 47 0.606 2.963 -11.530 1.00 0.00 C ATOM 745 C GLY A 47 0.674 4.213 -10.646 1.00 0.00 C ATOM 746 O GLY A 47 1.728 4.853 -10.603 1.00 0.00 O ATOM 0 H GLY A 47 -0.202 1.255 -10.666 1.00 0.00 H new ATOM 0 HA2 GLY A 47 1.544 2.415 -11.440 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.515 3.271 -12.572 1.00 0.00 H new ATOM 750 N LYS A 48 -0.402 4.597 -9.945 1.00 0.00 N ATOM 751 CA LYS A 48 -0.397 5.769 -9.078 1.00 0.00 C ATOM 752 C LYS A 48 0.399 5.396 -7.839 1.00 0.00 C ATOM 753 O LYS A 48 0.133 4.363 -7.231 1.00 0.00 O ATOM 754 CB LYS A 48 -1.830 6.209 -8.743 1.00 0.00 C ATOM 755 CG LYS A 48 -1.839 7.488 -7.894 1.00 0.00 C ATOM 756 CD LYS A 48 -3.202 8.191 -7.938 1.00 0.00 C ATOM 757 CE LYS A 48 -3.354 8.989 -9.239 1.00 0.00 C ATOM 758 NZ LYS A 48 -4.472 9.952 -9.162 1.00 0.00 N ATOM 0 H LYS A 48 -1.294 4.102 -9.967 1.00 0.00 H new ATOM 0 HA LYS A 48 0.065 6.625 -9.570 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -2.385 6.379 -9.666 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -2.341 5.410 -8.206 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -1.591 7.241 -6.862 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -1.067 8.168 -8.254 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -4.001 7.453 -7.862 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -3.301 8.858 -7.082 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -2.427 9.523 -9.449 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -3.521 8.303 -10.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -4.544 10.473 -10.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -5.360 9.440 -8.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -4.300 10.622 -8.386 1.00 0.00 H new ATOM 772 N GLN A 49 1.395 6.206 -7.506 1.00 0.00 N ATOM 773 CA GLN A 49 2.278 6.016 -6.362 1.00 0.00 C ATOM 774 C GLN A 49 1.517 6.502 -5.137 1.00 0.00 C ATOM 775 O GLN A 49 0.852 7.537 -5.225 1.00 0.00 O ATOM 776 CB GLN A 49 3.600 6.801 -6.510 1.00 0.00 C ATOM 777 CG GLN A 49 4.125 7.032 -7.941 1.00 0.00 C ATOM 778 CD GLN A 49 3.262 8.043 -8.707 1.00 0.00 C ATOM 779 OE1 GLN A 49 3.041 9.165 -8.260 1.00 0.00 O ATOM 780 NE2 GLN A 49 2.643 7.640 -9.805 1.00 0.00 N ATOM 0 H GLN A 49 1.619 7.043 -8.044 1.00 0.00 H new ATOM 0 HA GLN A 49 2.552 4.964 -6.279 1.00 0.00 H new ATOM 0 HB2 GLN A 49 3.470 7.774 -6.037 1.00 0.00 H new ATOM 0 HB3 GLN A 49 4.371 6.274 -5.948 1.00 0.00 H new ATOM 0 HG2 GLN A 49 5.153 7.391 -7.898 1.00 0.00 H new ATOM 0 HG3 GLN A 49 4.140 6.085 -8.480 1.00 0.00 H new ATOM 0 HE21 GLN A 49 2.824 6.709 -10.180 1.00 0.00 H new ATOM 0 HE22 GLN A 49 1.985 8.261 -10.277 1.00 0.00 H new ATOM 789 N LEU A 50 1.664 5.812 -4.004 1.00 0.00 N ATOM 790 CA LEU A 50 0.971 6.132 -2.766 1.00 0.00 C ATOM 791 C LEU A 50 1.957 6.179 -1.604 1.00 0.00 C ATOM 792 O LEU A 50 2.825 5.305 -1.490 1.00 0.00 O ATOM 793 CB LEU A 50 -0.071 5.030 -2.481 1.00 0.00 C ATOM 794 CG LEU A 50 -0.979 4.640 -3.664 1.00 0.00 C ATOM 795 CD1 LEU A 50 -1.775 3.394 -3.294 1.00 0.00 C ATOM 796 CD2 LEU A 50 -1.933 5.764 -4.060 1.00 0.00 C ATOM 0 H LEU A 50 2.280 5.003 -3.926 1.00 0.00 H new ATOM 0 HA LEU A 50 0.489 7.104 -2.869 1.00 0.00 H new ATOM 0 HB2 LEU A 50 0.456 4.138 -2.143 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.703 5.359 -1.656 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.339 4.443 -4.524 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.419 3.113 -4.127 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.089 2.576 -3.074 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.387 3.601 -2.416 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.550 5.439 -4.897 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.572 6.014 -3.213 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.358 6.643 -4.352 1.00 0.00 H new ATOM 808 N GLU A 51 1.810 7.180 -0.738 1.00 0.00 N ATOM 809 CA GLU A 51 2.630 7.378 0.444 1.00 0.00 C ATOM 810 C GLU A 51 1.812 8.145 1.493 1.00 0.00 C ATOM 811 O GLU A 51 0.671 8.547 1.247 1.00 0.00 O ATOM 812 CB GLU A 51 3.944 8.083 0.070 1.00 0.00 C ATOM 813 CG GLU A 51 3.863 9.612 0.104 1.00 0.00 C ATOM 814 CD GLU A 51 5.082 10.234 -0.559 1.00 0.00 C ATOM 815 OE1 GLU A 51 5.932 10.800 0.164 1.00 0.00 O ATOM 816 OE2 GLU A 51 5.185 10.208 -1.808 1.00 0.00 O ATOM 0 H GLU A 51 1.092 7.896 -0.848 1.00 0.00 H new ATOM 0 HA GLU A 51 2.913 6.420 0.880 1.00 0.00 H new ATOM 0 HB2 GLU A 51 4.727 7.756 0.754 1.00 0.00 H new ATOM 0 HB3 GLU A 51 4.242 7.767 -0.930 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.958 9.944 -0.405 1.00 0.00 H new ATOM 0 HG3 GLU A 51 3.791 9.954 1.137 1.00 0.00 H new ATOM 823 N ASP A 52 2.412 8.341 2.663 1.00 0.00 N ATOM 824 CA ASP A 52 1.835 9.043 3.796 1.00 0.00 C ATOM 825 C ASP A 52 1.479 10.506 3.525 1.00 0.00 C ATOM 826 O ASP A 52 1.924 11.133 2.561 1.00 0.00 O ATOM 827 CB ASP A 52 2.739 8.899 5.028 1.00 0.00 C ATOM 828 CG ASP A 52 4.133 9.526 4.906 1.00 0.00 C ATOM 829 OD1 ASP A 52 4.292 10.680 4.452 1.00 0.00 O ATOM 830 OD2 ASP A 52 5.105 8.850 5.317 1.00 0.00 O ATOM 0 H ASP A 52 3.354 7.999 2.852 1.00 0.00 H new ATOM 0 HA ASP A 52 0.877 8.561 3.992 1.00 0.00 H new ATOM 0 HB2 ASP A 52 2.232 9.348 5.882 1.00 0.00 H new ATOM 0 HB3 ASP A 52 2.856 7.838 5.248 1.00 0.00 H new ATOM 835 N GLY A 53 0.647 11.055 4.414 1.00 0.00 N ATOM 836 CA GLY A 53 0.155 12.426 4.353 1.00 0.00 C ATOM 837 C GLY A 53 -1.178 12.548 3.607 1.00 0.00 C ATOM 838 O GLY A 53 -1.694 13.661 3.480 1.00 0.00 O ATOM 0 H GLY A 53 0.289 10.539 5.218 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.035 12.809 5.366 1.00 0.00 H new ATOM 0 HA3 GLY A 53 0.899 13.052 3.862 1.00 0.00 H new ATOM 842 N ARG A 54 -1.741 11.428 3.141 1.00 0.00 N ATOM 843 CA ARG A 54 -2.988 11.286 2.403 1.00 0.00 C ATOM 844 C ARG A 54 -3.780 10.086 2.938 1.00 0.00 C ATOM 845 O ARG A 54 -3.313 9.373 3.835 1.00 0.00 O ATOM 846 CB ARG A 54 -2.598 11.003 0.949 1.00 0.00 C ATOM 847 CG ARG A 54 -1.745 12.075 0.261 1.00 0.00 C ATOM 848 CD ARG A 54 -2.591 13.252 -0.228 1.00 0.00 C ATOM 849 NE ARG A 54 -1.924 13.938 -1.349 1.00 0.00 N ATOM 850 CZ ARG A 54 -2.463 14.259 -2.532 1.00 0.00 C ATOM 851 NH1 ARG A 54 -3.764 14.137 -2.760 1.00 0.00 N ATOM 852 NH2 ARG A 54 -1.668 14.718 -3.488 1.00 0.00 N ATOM 0 H ARG A 54 -1.292 10.524 3.286 1.00 0.00 H new ATOM 0 HA ARG A 54 -3.601 12.182 2.499 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -2.055 10.059 0.917 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -3.511 10.866 0.369 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -0.987 12.437 0.956 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -1.217 11.632 -0.584 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -3.572 12.896 -0.544 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -2.755 13.954 0.590 1.00 0.00 H new ATOM 0 HE ARG A 54 -0.947 14.196 -1.209 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -4.380 13.791 -2.025 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -4.148 14.389 -3.671 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -0.668 14.820 -3.314 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -2.056 14.969 -4.397 1.00 0.00 H new ATOM 866 N THR A 55 -4.946 9.828 2.345 1.00 0.00 N ATOM 867 CA THR A 55 -5.842 8.725 2.677 1.00 0.00 C ATOM 868 C THR A 55 -6.143 7.914 1.431 1.00 0.00 C ATOM 869 O THR A 55 -5.807 8.302 0.307 1.00 0.00 O ATOM 870 CB THR A 55 -7.186 9.212 3.257 1.00 0.00 C ATOM 871 OG1 THR A 55 -7.870 10.032 2.325 1.00 0.00 O ATOM 872 CG2 THR A 55 -7.055 9.919 4.591 1.00 0.00 C ATOM 0 H THR A 55 -5.305 10.409 1.587 1.00 0.00 H new ATOM 0 HA THR A 55 -5.332 8.124 3.430 1.00 0.00 H new ATOM 0 HB THR A 55 -7.772 8.312 3.446 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.607 10.967 2.457 1.00 0.00 H new ATOM 0 HG21 THR A 55 -8.041 10.232 4.935 1.00 0.00 H new ATOM 0 HG22 THR A 55 -6.615 9.240 5.321 1.00 0.00 H new ATOM 0 HG23 THR A 55 -6.415 10.794 4.478 1.00 0.00 H new ATOM 880 N LEU A 56 -6.820 6.790 1.652 1.00 0.00 N ATOM 881 CA LEU A 56 -7.247 5.892 0.602 1.00 0.00 C ATOM 882 C LEU A 56 -8.210 6.661 -0.321 1.00 0.00 C ATOM 883 O LEU A 56 -8.133 6.548 -1.546 1.00 0.00 O ATOM 884 CB LEU A 56 -7.922 4.688 1.282 1.00 0.00 C ATOM 885 CG LEU A 56 -7.723 3.378 0.506 1.00 0.00 C ATOM 886 CD1 LEU A 56 -7.266 2.252 1.427 1.00 0.00 C ATOM 887 CD2 LEU A 56 -9.019 2.962 -0.175 1.00 0.00 C ATOM 0 H LEU A 56 -7.088 6.479 2.586 1.00 0.00 H new ATOM 0 HA LEU A 56 -6.421 5.529 -0.009 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -7.521 4.573 2.289 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -8.989 4.886 1.385 1.00 0.00 H new ATOM 0 HG LEU A 56 -6.952 3.558 -0.243 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -7.134 1.338 0.847 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -6.320 2.525 1.894 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -8.017 2.086 2.199 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -8.861 2.032 -0.721 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -9.794 2.814 0.577 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -9.331 3.742 -0.870 1.00 0.00 H new ATOM 899 N SER A 57 -9.068 7.511 0.262 1.00 0.00 N ATOM 900 CA SER A 57 -10.036 8.311 -0.443 1.00 0.00 C ATOM 901 C SER A 57 -9.413 9.471 -1.234 1.00 0.00 C ATOM 902 O SER A 57 -9.868 9.742 -2.350 1.00 0.00 O ATOM 903 CB SER A 57 -11.076 8.757 0.584 1.00 0.00 C ATOM 904 OG SER A 57 -10.623 9.650 1.594 1.00 0.00 O ATOM 0 H SER A 57 -9.095 7.653 1.272 1.00 0.00 H new ATOM 0 HA SER A 57 -10.515 7.718 -1.223 1.00 0.00 H new ATOM 0 HB2 SER A 57 -11.900 9.232 0.052 1.00 0.00 H new ATOM 0 HB3 SER A 57 -11.480 7.869 1.069 1.00 0.00 H new ATOM 0 HG SER A 57 -9.645 9.614 1.648 1.00 0.00 H new ATOM 910 N ASP A 58 -8.368 10.131 -0.713 1.00 0.00 N ATOM 911 CA ASP A 58 -7.696 11.253 -1.396 1.00 0.00 C ATOM 912 C ASP A 58 -7.048 10.758 -2.685 1.00 0.00 C ATOM 913 O ASP A 58 -6.983 11.477 -3.682 1.00 0.00 O ATOM 914 CB ASP A 58 -6.583 11.885 -0.548 1.00 0.00 C ATOM 915 CG ASP A 58 -7.089 12.694 0.642 1.00 0.00 C ATOM 916 OD1 ASP A 58 -6.723 12.347 1.792 1.00 0.00 O ATOM 917 OD2 ASP A 58 -7.824 13.685 0.442 1.00 0.00 O ATOM 0 H ASP A 58 -7.962 9.904 0.195 1.00 0.00 H new ATOM 0 HA ASP A 58 -8.467 12.000 -1.585 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.926 11.095 -0.184 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.980 12.533 -1.184 1.00 0.00 H new ATOM 922 N TYR A 59 -6.571 9.514 -2.668 1.00 0.00 N ATOM 923 CA TYR A 59 -5.941 8.877 -3.809 1.00 0.00 C ATOM 924 C TYR A 59 -6.954 8.152 -4.702 1.00 0.00 C ATOM 925 O TYR A 59 -6.568 7.624 -5.748 1.00 0.00 O ATOM 926 CB TYR A 59 -4.885 7.892 -3.297 1.00 0.00 C ATOM 927 CG TYR A 59 -3.543 8.530 -3.000 1.00 0.00 C ATOM 928 CD1 TYR A 59 -2.852 9.200 -4.026 1.00 0.00 C ATOM 929 CD2 TYR A 59 -2.949 8.402 -1.733 1.00 0.00 C ATOM 930 CE1 TYR A 59 -1.570 9.720 -3.804 1.00 0.00 C ATOM 931 CE2 TYR A 59 -1.656 8.903 -1.508 1.00 0.00 C ATOM 932 CZ TYR A 59 -0.957 9.558 -2.545 1.00 0.00 C ATOM 933 OH TYR A 59 0.298 10.032 -2.329 1.00 0.00 O ATOM 0 H TYR A 59 -6.615 8.915 -1.843 1.00 0.00 H new ATOM 0 HA TYR A 59 -5.478 9.649 -4.423 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -5.257 7.414 -2.391 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -4.746 7.105 -4.039 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -3.315 9.315 -4.995 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -3.487 7.918 -0.931 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -1.053 10.243 -4.595 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -1.195 8.787 -0.538 1.00 0.00 H new ATOM 0 HH TYR A 59 0.567 9.836 -1.407 1.00 0.00 H new ATOM 943 N ASN A 60 -8.236 8.171 -4.331 1.00 0.00 N ATOM 944 CA ASN A 60 -9.364 7.525 -4.989 1.00 0.00 C ATOM 945 C ASN A 60 -9.032 6.089 -5.341 1.00 0.00 C ATOM 946 O ASN A 60 -8.788 5.751 -6.501 1.00 0.00 O ATOM 947 CB ASN A 60 -9.965 8.294 -6.169 1.00 0.00 C ATOM 948 CG ASN A 60 -11.431 7.940 -6.277 1.00 0.00 C ATOM 949 OD1 ASN A 60 -11.844 6.787 -6.199 1.00 0.00 O ATOM 950 ND2 ASN A 60 -12.270 8.946 -6.341 1.00 0.00 N ATOM 0 H ASN A 60 -8.531 8.679 -3.497 1.00 0.00 H new ATOM 0 HA ASN A 60 -10.167 7.528 -4.252 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -9.845 9.367 -6.022 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -9.445 8.038 -7.092 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -13.275 8.773 -6.326 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -11.917 9.901 -6.406 1.00 0.00 H new ATOM 957 N ILE A 61 -9.014 5.261 -4.308 1.00 0.00 N ATOM 958 CA ILE A 61 -8.738 3.840 -4.390 1.00 0.00 C ATOM 959 C ILE A 61 -10.057 3.202 -3.972 1.00 0.00 C ATOM 960 O ILE A 61 -10.617 3.564 -2.931 1.00 0.00 O ATOM 961 CB ILE A 61 -7.549 3.468 -3.480 1.00 0.00 C ATOM 962 CG1 ILE A 61 -6.302 4.327 -3.778 1.00 0.00 C ATOM 963 CG2 ILE A 61 -7.235 1.970 -3.608 1.00 0.00 C ATOM 964 CD1 ILE A 61 -5.210 4.160 -2.725 1.00 0.00 C ATOM 0 H ILE A 61 -9.198 5.575 -3.355 1.00 0.00 H new ATOM 0 HA ILE A 61 -8.432 3.496 -5.378 1.00 0.00 H new ATOM 0 HB ILE A 61 -7.836 3.679 -2.450 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -5.904 4.056 -4.756 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -6.592 5.376 -3.832 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -6.394 1.718 -2.962 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -8.108 1.389 -3.311 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -6.980 1.739 -4.642 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -4.356 4.786 -2.984 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -5.596 4.457 -1.750 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -4.897 3.117 -2.688 1.00 0.00 H new ATOM 976 N GLN A 62 -10.634 2.357 -4.821 1.00 0.00 N ATOM 977 CA GLN A 62 -11.891 1.700 -4.492 1.00 0.00 C ATOM 978 C GLN A 62 -11.566 0.368 -3.804 1.00 0.00 C ATOM 979 O GLN A 62 -10.403 0.049 -3.512 1.00 0.00 O ATOM 980 CB GLN A 62 -12.806 1.558 -5.725 1.00 0.00 C ATOM 981 CG GLN A 62 -13.009 2.866 -6.517 1.00 0.00 C ATOM 982 CD GLN A 62 -11.875 3.176 -7.495 1.00 0.00 C ATOM 983 OE1 GLN A 62 -11.544 2.358 -8.352 1.00 0.00 O ATOM 984 NE2 GLN A 62 -11.260 4.344 -7.410 1.00 0.00 N ATOM 0 H GLN A 62 -10.253 2.113 -5.735 1.00 0.00 H new ATOM 0 HA GLN A 62 -12.469 2.311 -3.799 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -12.385 0.805 -6.391 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -13.779 1.188 -5.401 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -13.946 2.804 -7.070 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -13.107 3.694 -5.815 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -11.540 5.017 -6.697 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -10.506 4.572 -8.058 1.00 0.00 H new ATOM 993 N LYS A 63 -12.600 -0.375 -3.427 1.00 0.00 N ATOM 994 CA LYS A 63 -12.440 -1.672 -2.784 1.00 0.00 C ATOM 995 C LYS A 63 -11.986 -2.685 -3.830 1.00 0.00 C ATOM 996 O LYS A 63 -12.112 -2.453 -5.036 1.00 0.00 O ATOM 997 CB LYS A 63 -13.722 -2.075 -2.052 1.00 0.00 C ATOM 998 CG LYS A 63 -15.000 -1.838 -2.857 1.00 0.00 C ATOM 999 CD LYS A 63 -16.222 -2.302 -2.074 1.00 0.00 C ATOM 1000 CE LYS A 63 -17.449 -2.013 -2.936 1.00 0.00 C ATOM 1001 NZ LYS A 63 -18.694 -2.285 -2.203 1.00 0.00 N ATOM 0 H LYS A 63 -13.572 -0.095 -3.559 1.00 0.00 H new ATOM 0 HA LYS A 63 -11.669 -1.628 -2.014 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -13.661 -3.131 -1.789 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -13.785 -1.517 -1.118 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -15.095 -0.779 -3.095 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -14.944 -2.374 -3.805 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -16.153 -3.366 -1.848 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -16.290 -1.778 -1.121 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -17.434 -0.971 -3.256 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -17.415 -2.624 -3.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -19.509 -2.079 -2.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -18.718 -3.285 -1.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -18.737 -1.683 -1.356 1.00 0.00 H new ATOM 1015 N GLU A 64 -11.445 -3.809 -3.364 1.00 0.00 N ATOM 1016 CA GLU A 64 -10.928 -4.893 -4.186 1.00 0.00 C ATOM 1017 C GLU A 64 -9.918 -4.400 -5.234 1.00 0.00 C ATOM 1018 O GLU A 64 -9.856 -4.936 -6.343 1.00 0.00 O ATOM 1019 CB GLU A 64 -12.067 -5.740 -4.781 1.00 0.00 C ATOM 1020 CG GLU A 64 -12.916 -6.430 -3.708 1.00 0.00 C ATOM 1021 CD GLU A 64 -14.116 -5.633 -3.199 1.00 0.00 C ATOM 1022 OE1 GLU A 64 -14.429 -5.769 -1.991 1.00 0.00 O ATOM 1023 OE2 GLU A 64 -14.805 -4.959 -3.997 1.00 0.00 O ATOM 0 H GLU A 64 -11.353 -3.993 -2.365 1.00 0.00 H new ATOM 0 HA GLU A 64 -10.362 -5.559 -3.535 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -12.708 -5.103 -5.390 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -11.644 -6.495 -5.444 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -13.276 -7.377 -4.109 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -12.274 -6.667 -2.860 1.00 0.00 H new ATOM 1030 N SER A 65 -9.173 -3.334 -4.929 1.00 0.00 N ATOM 1031 CA SER A 65 -8.147 -2.765 -5.796 1.00 0.00 C ATOM 1032 C SER A 65 -6.972 -3.760 -5.847 1.00 0.00 C ATOM 1033 O SER A 65 -6.967 -4.735 -5.089 1.00 0.00 O ATOM 1034 CB SER A 65 -7.761 -1.361 -5.297 1.00 0.00 C ATOM 1035 OG SER A 65 -8.040 -1.167 -3.929 1.00 0.00 O ATOM 0 H SER A 65 -9.273 -2.832 -4.047 1.00 0.00 H new ATOM 0 HA SER A 65 -8.504 -2.622 -6.816 1.00 0.00 H new ATOM 0 HB2 SER A 65 -6.697 -1.199 -5.472 1.00 0.00 H new ATOM 0 HB3 SER A 65 -8.298 -0.613 -5.881 1.00 0.00 H new ATOM 0 HG SER A 65 -8.998 -0.995 -3.812 1.00 0.00 H new ATOM 1041 N THR A 66 -5.984 -3.557 -6.727 1.00 0.00 N ATOM 1042 CA THR A 66 -4.868 -4.494 -6.824 1.00 0.00 C ATOM 1043 C THR A 66 -3.624 -3.650 -6.791 1.00 0.00 C ATOM 1044 O THR A 66 -3.165 -3.147 -7.822 1.00 0.00 O ATOM 1045 CB THR A 66 -4.966 -5.399 -8.067 1.00 0.00 C ATOM 1046 OG1 THR A 66 -6.290 -5.837 -8.282 1.00 0.00 O ATOM 1047 CG2 THR A 66 -4.072 -6.634 -7.916 1.00 0.00 C ATOM 0 H THR A 66 -5.937 -2.766 -7.370 1.00 0.00 H new ATOM 0 HA THR A 66 -4.867 -5.203 -5.996 1.00 0.00 H new ATOM 0 HB THR A 66 -4.637 -4.802 -8.917 1.00 0.00 H new ATOM 0 HG1 THR A 66 -6.321 -6.408 -9.078 1.00 0.00 H new ATOM 0 HG21 THR A 66 -4.159 -7.257 -8.806 1.00 0.00 H new ATOM 0 HG22 THR A 66 -3.036 -6.320 -7.792 1.00 0.00 H new ATOM 0 HG23 THR A 66 -4.385 -7.205 -7.042 1.00 0.00 H new ATOM 1055 N LEU A 67 -3.150 -3.398 -5.583 1.00 0.00 N ATOM 1056 CA LEU A 67 -1.974 -2.600 -5.375 1.00 0.00 C ATOM 1057 C LEU A 67 -0.759 -3.473 -5.642 1.00 0.00 C ATOM 1058 O LEU A 67 -0.854 -4.702 -5.651 1.00 0.00 O ATOM 1059 CB LEU A 67 -1.964 -2.024 -3.947 1.00 0.00 C ATOM 1060 CG LEU A 67 -2.984 -0.883 -3.749 1.00 0.00 C ATOM 1061 CD1 LEU A 67 -4.432 -1.364 -3.594 1.00 0.00 C ATOM 1062 CD2 LEU A 67 -2.630 -0.046 -2.521 1.00 0.00 C ATOM 0 H LEU A 67 -3.576 -3.745 -4.724 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.960 -1.750 -6.057 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.179 -2.823 -3.238 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.965 -1.654 -3.717 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.924 -0.290 -4.661 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.088 -0.504 -3.459 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.731 -1.912 -4.487 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -4.507 -2.018 -2.725 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.363 0.752 -2.401 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.636 -0.680 -1.634 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.638 0.388 -2.650 1.00 0.00 H new ATOM 1074 N HIS A 68 0.376 -2.840 -5.890 1.00 0.00 N ATOM 1075 CA HIS A 68 1.657 -3.478 -6.153 1.00 0.00 C ATOM 1076 C HIS A 68 2.681 -2.850 -5.216 1.00 0.00 C ATOM 1077 O HIS A 68 2.533 -1.691 -4.810 1.00 0.00 O ATOM 1078 CB HIS A 68 2.086 -3.255 -7.618 1.00 0.00 C ATOM 1079 CG HIS A 68 1.785 -4.378 -8.586 1.00 0.00 C ATOM 1080 ND1 HIS A 68 2.494 -4.616 -9.744 1.00 0.00 N ATOM 1081 CD2 HIS A 68 0.769 -5.295 -8.526 1.00 0.00 C ATOM 1082 CE1 HIS A 68 1.947 -5.695 -10.337 1.00 0.00 C ATOM 1083 NE2 HIS A 68 0.881 -6.126 -9.646 1.00 0.00 N ATOM 0 H HIS A 68 0.433 -1.822 -5.915 1.00 0.00 H new ATOM 0 HA HIS A 68 1.582 -4.553 -5.987 1.00 0.00 H new ATOM 0 HB2 HIS A 68 1.599 -2.350 -7.982 1.00 0.00 H new ATOM 0 HB3 HIS A 68 3.160 -3.068 -7.635 1.00 0.00 H new ATOM 0 HD1 HIS A 68 3.287 -4.075 -10.089 1.00 0.00 H new ATOM 0 HD2 HIS A 68 0.017 -5.364 -7.754 1.00 0.00 H new ATOM 0 HE1 HIS A 68 2.316 -6.150 -11.244 1.00 0.00 H new ATOM 1090 N LEU A 69 3.725 -3.613 -4.907 1.00 0.00 N ATOM 1091 CA LEU A 69 4.826 -3.199 -4.057 1.00 0.00 C ATOM 1092 C LEU A 69 6.068 -3.141 -4.922 1.00 0.00 C ATOM 1093 O LEU A 69 6.328 -4.049 -5.710 1.00 0.00 O ATOM 1094 CB LEU A 69 5.052 -4.179 -2.899 1.00 0.00 C ATOM 1095 CG LEU A 69 3.955 -4.119 -1.829 1.00 0.00 C ATOM 1096 CD1 LEU A 69 4.149 -5.244 -0.814 1.00 0.00 C ATOM 1097 CD2 LEU A 69 3.967 -2.790 -1.070 1.00 0.00 C ATOM 0 H LEU A 69 3.827 -4.566 -5.255 1.00 0.00 H new ATOM 0 HA LEU A 69 4.597 -2.228 -3.617 1.00 0.00 H new ATOM 0 HB2 LEU A 69 5.107 -5.193 -3.296 1.00 0.00 H new ATOM 0 HB3 LEU A 69 6.015 -3.966 -2.434 1.00 0.00 H new ATOM 0 HG LEU A 69 3.002 -4.223 -2.348 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.365 -5.192 -0.059 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.099 -6.206 -1.323 1.00 0.00 H new ATOM 0 HD13 LEU A 69 5.122 -5.138 -0.334 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.174 -2.791 -0.322 1.00 0.00 H new ATOM 0 HD22 LEU A 69 4.931 -2.661 -0.577 1.00 0.00 H new ATOM 0 HD23 LEU A 69 3.805 -1.970 -1.770 1.00 0.00 H new ATOM 1109 N VAL A 70 6.786 -2.037 -4.800 1.00 0.00 N ATOM 1110 CA VAL A 70 8.030 -1.717 -5.481 1.00 0.00 C ATOM 1111 C VAL A 70 8.881 -1.004 -4.427 1.00 0.00 C ATOM 1112 O VAL A 70 8.377 -0.693 -3.341 1.00 0.00 O ATOM 1113 CB VAL A 70 7.776 -0.892 -6.760 1.00 0.00 C ATOM 1114 CG1 VAL A 70 7.104 -1.735 -7.855 1.00 0.00 C ATOM 1115 CG2 VAL A 70 6.916 0.348 -6.496 1.00 0.00 C ATOM 0 H VAL A 70 6.493 -1.285 -4.176 1.00 0.00 H new ATOM 0 HA VAL A 70 8.554 -2.598 -5.851 1.00 0.00 H new ATOM 0 HB VAL A 70 8.760 -0.569 -7.100 1.00 0.00 H new ATOM 0 HG11 VAL A 70 6.941 -1.119 -8.740 1.00 0.00 H new ATOM 0 HG12 VAL A 70 7.747 -2.577 -8.112 1.00 0.00 H new ATOM 0 HG13 VAL A 70 6.146 -2.107 -7.491 1.00 0.00 H new ATOM 0 HG21 VAL A 70 6.767 0.893 -7.428 1.00 0.00 H new ATOM 0 HG22 VAL A 70 5.949 0.042 -6.097 1.00 0.00 H new ATOM 0 HG23 VAL A 70 7.419 0.993 -5.775 1.00 0.00 H new ATOM 1125 N LEU A 71 10.147 -0.696 -4.706 1.00 0.00 N ATOM 1126 CA LEU A 71 11.003 -0.040 -3.726 1.00 0.00 C ATOM 1127 C LEU A 71 11.865 1.074 -4.310 1.00 0.00 C ATOM 1128 O LEU A 71 11.914 1.296 -5.522 1.00 0.00 O ATOM 1129 CB LEU A 71 11.814 -1.123 -2.994 1.00 0.00 C ATOM 1130 CG LEU A 71 12.475 -2.203 -3.874 1.00 0.00 C ATOM 1131 CD1 LEU A 71 13.592 -1.661 -4.756 1.00 0.00 C ATOM 1132 CD2 LEU A 71 13.063 -3.267 -2.959 1.00 0.00 C ATOM 0 H LEU A 71 10.599 -0.890 -5.600 1.00 0.00 H new ATOM 0 HA LEU A 71 10.376 0.486 -3.006 1.00 0.00 H new ATOM 0 HB2 LEU A 71 12.595 -0.631 -2.415 1.00 0.00 H new ATOM 0 HB3 LEU A 71 11.155 -1.620 -2.282 1.00 0.00 H new ATOM 0 HG LEU A 71 11.705 -2.601 -4.535 1.00 0.00 H new ATOM 0 HD11 LEU A 71 14.014 -2.473 -5.349 1.00 0.00 H new ATOM 0 HD12 LEU A 71 13.192 -0.896 -5.421 1.00 0.00 H new ATOM 0 HD13 LEU A 71 14.371 -1.226 -4.130 1.00 0.00 H new ATOM 0 HD21 LEU A 71 13.537 -4.043 -3.561 1.00 0.00 H new ATOM 0 HD22 LEU A 71 13.805 -2.813 -2.303 1.00 0.00 H new ATOM 0 HD23 LEU A 71 12.269 -3.709 -2.357 1.00 0.00 H new ATOM 1144 N ARG A 72 12.439 1.847 -3.393 1.00 0.00 N ATOM 1145 CA ARG A 72 13.336 2.984 -3.528 1.00 0.00 C ATOM 1146 C ARG A 72 13.994 3.065 -2.153 1.00 0.00 C ATOM 1147 O ARG A 72 13.379 2.620 -1.177 1.00 0.00 O ATOM 1148 CB ARG A 72 12.598 4.278 -3.857 1.00 0.00 C ATOM 1149 CG ARG A 72 13.476 5.246 -4.660 1.00 0.00 C ATOM 1150 CD ARG A 72 12.730 6.573 -4.739 1.00 0.00 C ATOM 1151 NE ARG A 72 13.310 7.494 -5.730 1.00 0.00 N ATOM 1152 CZ ARG A 72 13.545 8.804 -5.583 1.00 0.00 C ATOM 1153 NH1 ARG A 72 13.498 9.401 -4.396 1.00 0.00 N ATOM 1154 NH2 ARG A 72 13.817 9.504 -6.673 1.00 0.00 N ATOM 0 H ARG A 72 12.259 1.662 -2.406 1.00 0.00 H new ATOM 0 HA ARG A 72 14.042 2.858 -4.349 1.00 0.00 H new ATOM 0 HB2 ARG A 72 11.697 4.048 -4.425 1.00 0.00 H new ATOM 0 HB3 ARG A 72 12.278 4.759 -2.933 1.00 0.00 H new ATOM 0 HG2 ARG A 72 14.444 5.377 -4.177 1.00 0.00 H new ATOM 0 HG3 ARG A 72 13.668 4.853 -5.658 1.00 0.00 H new ATOM 0 HD2 ARG A 72 11.687 6.384 -4.992 1.00 0.00 H new ATOM 0 HD3 ARG A 72 12.739 7.049 -3.758 1.00 0.00 H new ATOM 0 HE ARG A 72 13.562 7.088 -6.631 1.00 0.00 H new ATOM 0 HH11 ARG A 72 13.277 8.859 -3.561 1.00 0.00 H new ATOM 0 HH12 ARG A 72 13.683 10.401 -4.321 1.00 0.00 H new ATOM 0 HH21 ARG A 72 13.842 9.043 -7.582 1.00 0.00 H new ATOM 0 HH22 ARG A 72 14.002 10.505 -6.604 1.00 0.00 H new ATOM 1168 N LEU A 73 15.149 3.703 -2.040 1.00 0.00 N ATOM 1169 CA LEU A 73 15.888 3.775 -0.781 1.00 0.00 C ATOM 1170 C LEU A 73 16.273 5.205 -0.424 1.00 0.00 C ATOM 1171 O LEU A 73 15.807 6.158 -1.056 1.00 0.00 O ATOM 1172 CB LEU A 73 17.110 2.834 -0.945 1.00 0.00 C ATOM 1173 CG LEU A 73 17.118 1.653 0.041 1.00 0.00 C ATOM 1174 CD1 LEU A 73 18.150 0.608 -0.391 1.00 0.00 C ATOM 1175 CD2 LEU A 73 17.464 2.109 1.457 1.00 0.00 C ATOM 0 H LEU A 73 15.603 4.186 -2.815 1.00 0.00 H new ATOM 0 HA LEU A 73 15.274 3.451 0.059 1.00 0.00 H new ATOM 0 HB2 LEU A 73 17.124 2.446 -1.963 1.00 0.00 H new ATOM 0 HB3 LEU A 73 18.024 3.413 -0.812 1.00 0.00 H new ATOM 0 HG LEU A 73 16.116 1.224 0.036 1.00 0.00 H new ATOM 0 HD11 LEU A 73 18.145 -0.222 0.316 1.00 0.00 H new ATOM 0 HD12 LEU A 73 17.900 0.239 -1.386 1.00 0.00 H new ATOM 0 HD13 LEU A 73 19.141 1.062 -0.411 1.00 0.00 H new ATOM 0 HD21 LEU A 73 17.461 1.249 2.127 1.00 0.00 H new ATOM 0 HD22 LEU A 73 18.453 2.568 1.460 1.00 0.00 H new ATOM 0 HD23 LEU A 73 16.726 2.836 1.796 1.00 0.00 H new ATOM 1187 N ARG A 74 17.077 5.350 0.631 1.00 0.00 N ATOM 1188 CA ARG A 74 17.577 6.632 1.112 1.00 0.00 C ATOM 1189 C ARG A 74 18.496 7.259 0.067 1.00 0.00 C ATOM 1190 O ARG A 74 18.859 6.627 -0.930 1.00 0.00 O ATOM 1191 CB ARG A 74 18.305 6.442 2.464 1.00 0.00 C ATOM 1192 CG ARG A 74 19.590 5.604 2.341 1.00 0.00 C ATOM 1193 CD ARG A 74 20.440 5.610 3.612 1.00 0.00 C ATOM 1194 NE ARG A 74 21.695 4.887 3.369 1.00 0.00 N ATOM 1195 CZ ARG A 74 22.486 4.314 4.281 1.00 0.00 C ATOM 1196 NH1 ARG A 74 22.268 4.489 5.582 1.00 0.00 N ATOM 1197 NH2 ARG A 74 23.491 3.546 3.884 1.00 0.00 N ATOM 0 H ARG A 74 17.404 4.559 1.185 1.00 0.00 H new ATOM 0 HA ARG A 74 16.740 7.311 1.274 1.00 0.00 H new ATOM 0 HB2 ARG A 74 18.553 7.420 2.878 1.00 0.00 H new ATOM 0 HB3 ARG A 74 17.629 5.960 3.170 1.00 0.00 H new ATOM 0 HG2 ARG A 74 19.323 4.576 2.096 1.00 0.00 H new ATOM 0 HG3 ARG A 74 20.186 5.985 1.512 1.00 0.00 H new ATOM 0 HD2 ARG A 74 20.652 6.635 3.915 1.00 0.00 H new ATOM 0 HD3 ARG A 74 19.892 5.143 4.430 1.00 0.00 H new ATOM 0 HE ARG A 74 21.996 4.814 2.397 1.00 0.00 H new ATOM 0 HH11 ARG A 74 21.488 5.067 5.895 1.00 0.00 H new ATOM 0 HH12 ARG A 74 22.881 4.045 6.266 1.00 0.00 H new ATOM 0 HH21 ARG A 74 23.656 3.396 2.889 1.00 0.00 H new ATOM 0 HH22 ARG A 74 24.099 3.105 4.574 1.00 0.00 H new ATOM 1211 N GLY A 75 18.918 8.498 0.304 1.00 0.00 N ATOM 1212 CA GLY A 75 19.820 9.202 -0.592 1.00 0.00 C ATOM 1213 C GLY A 75 21.265 8.807 -0.290 1.00 0.00 C ATOM 1214 O GLY A 75 22.116 9.678 -0.106 1.00 0.00 O ATOM 0 H GLY A 75 18.642 9.039 1.124 1.00 0.00 H new ATOM 0 HA2 GLY A 75 19.577 8.964 -1.628 1.00 0.00 H new ATOM 0 HA3 GLY A 75 19.696 10.279 -0.475 1.00 0.00 H new ATOM 1218 N GLY A 76 21.541 7.507 -0.227 1.00 0.00 N ATOM 1219 CA GLY A 76 22.844 6.937 0.059 1.00 0.00 C ATOM 1220 C GLY A 76 22.773 5.467 -0.263 1.00 0.00 C ATOM 1221 O GLY A 76 22.300 4.700 0.597 1.00 0.00 O ATOM 0 H GLY A 76 20.827 6.795 -0.382 1.00 0.00 H new ATOM 0 HA2 GLY A 76 23.615 7.424 -0.538 1.00 0.00 H new ATOM 0 HA3 GLY A 76 23.108 7.088 1.106 1.00 0.00 H new TER 1225 GLY A 76