USER MOD reduce.3.24.130724 H: found=0, std=0, add=523, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 523 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 52 LYS NZ :NH3+ 173:sc= 1.88 (180deg=1.07) USER MOD Set 1.2: A 56 TYR OH : rot 30:sc= 0.827 USER MOD Set 2.1: A 13 TYR OH : rot 30:sc= 0.968 USER MOD Set 2.2: A 46 LYS NZ :NH3+ -154:sc= 2.3 (180deg=1.01) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -172:sc= 0 (180deg=-0.0571) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 LYS NZ :NH3+ 157:sc= 2.33 (180deg=2.08) USER MOD Single : A 5 LYS NZ :NH3+ 153:sc= 1.19 (180deg=1.08) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 139:sc= 0.707 (180deg=-2!) USER MOD Single : A 20 LYS NZ :NH3+ -169:sc= 1.19 (180deg=1.06) USER MOD Single : A 23 TYR OH : rot 180:sc= -0.0594 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -0.431 K(o=-0.43,f=-2.6!) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 148:sc= 3.36 (180deg=1.38) USER MOD Single : A 49 LYS NZ :NH3+ 176:sc= 1.15 (180deg=0.939) USER MOD Single : A 59 ASN : amide:sc= 1.02 K(o=1,f=-6.5!) USER MOD Single : A 60 GLN : amide:sc= 1.06 K(o=1.1,f=-0.099) USER MOD Single : A 65 GLN : amide:sc= 1.13 K(o=1.1,f=-0.21) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.446 -49.085 -0.024 1.00 0.00 N ATOM 2 CA MET A 1 13.437 -48.380 -0.837 1.00 0.00 C ATOM 3 C MET A 1 12.826 -47.660 -2.064 1.00 0.00 C ATOM 4 O MET A 1 11.997 -48.224 -2.785 1.00 0.00 O ATOM 5 CB MET A 1 14.525 -49.382 -1.304 1.00 0.00 C ATOM 6 CG MET A 1 15.435 -49.912 -0.172 1.00 0.00 C ATOM 7 SD MET A 1 16.665 -51.097 -0.779 1.00 0.00 S ATOM 8 CE MET A 1 18.070 -50.004 -1.111 1.00 0.00 C ATOM 0 H1 MET A 1 12.895 -49.429 0.849 1.00 0.00 H new ATOM 0 H2 MET A 1 11.670 -48.436 0.218 1.00 0.00 H new ATOM 0 H3 MET A 1 12.068 -49.892 -0.560 1.00 0.00 H new ATOM 0 HA MET A 1 13.871 -47.604 -0.207 1.00 0.00 H new ATOM 0 HB2 MET A 1 14.038 -50.228 -1.788 1.00 0.00 H new ATOM 0 HB3 MET A 1 15.147 -48.899 -2.057 1.00 0.00 H new ATOM 0 HG2 MET A 1 15.944 -49.074 0.304 1.00 0.00 H new ATOM 0 HG3 MET A 1 14.821 -50.388 0.592 1.00 0.00 H new ATOM 0 HE1 MET A 1 18.906 -50.591 -1.491 1.00 0.00 H new ATOM 0 HE2 MET A 1 17.783 -49.258 -1.852 1.00 0.00 H new ATOM 0 HE3 MET A 1 18.368 -49.504 -0.189 1.00 0.00 H new ATOM 20 N LEU A 2 13.279 -46.420 -2.310 1.00 0.00 N ATOM 21 CA LEU A 2 12.772 -45.540 -3.373 1.00 0.00 C ATOM 22 C LEU A 2 12.904 -46.118 -4.796 1.00 0.00 C ATOM 23 O LEU A 2 11.929 -46.108 -5.550 1.00 0.00 O ATOM 24 CB LEU A 2 13.500 -44.167 -3.288 1.00 0.00 C ATOM 25 CG LEU A 2 13.230 -43.351 -1.999 1.00 0.00 C ATOM 26 CD1 LEU A 2 14.242 -42.198 -1.901 1.00 0.00 C ATOM 27 CD2 LEU A 2 11.814 -42.749 -1.981 1.00 0.00 C ATOM 0 H LEU A 2 14.025 -45.992 -1.762 1.00 0.00 H new ATOM 0 HA LEU A 2 11.701 -45.431 -3.200 1.00 0.00 H new ATOM 0 HB2 LEU A 2 14.573 -44.338 -3.371 1.00 0.00 H new ATOM 0 HB3 LEU A 2 13.205 -43.565 -4.147 1.00 0.00 H new ATOM 0 HG LEU A 2 13.328 -44.035 -1.156 1.00 0.00 H new ATOM 0 HD11 LEU A 2 14.052 -41.624 -0.994 1.00 0.00 H new ATOM 0 HD12 LEU A 2 15.253 -42.603 -1.869 1.00 0.00 H new ATOM 0 HD13 LEU A 2 14.139 -41.548 -2.770 1.00 0.00 H new ATOM 0 HD21 LEU A 2 11.670 -42.186 -1.059 1.00 0.00 H new ATOM 0 HD22 LEU A 2 11.691 -42.084 -2.836 1.00 0.00 H new ATOM 0 HD23 LEU A 2 11.077 -43.550 -2.036 1.00 0.00 H new ATOM 39 N GLN A 3 14.091 -46.644 -5.139 1.00 0.00 N ATOM 40 CA GLN A 3 14.371 -47.302 -6.420 1.00 0.00 C ATOM 41 C GLN A 3 13.460 -48.520 -6.684 1.00 0.00 C ATOM 42 O GLN A 3 12.950 -48.691 -7.794 1.00 0.00 O ATOM 43 CB GLN A 3 15.869 -47.709 -6.427 1.00 0.00 C ATOM 44 CG GLN A 3 16.371 -48.214 -7.809 1.00 0.00 C ATOM 45 CD GLN A 3 17.828 -48.671 -7.731 1.00 0.00 C ATOM 46 OE1 GLN A 3 18.758 -47.900 -7.927 1.00 0.00 O ATOM 47 NE2 GLN A 3 18.097 -49.930 -7.448 1.00 0.00 N ATOM 0 H GLN A 3 14.899 -46.622 -4.517 1.00 0.00 H new ATOM 0 HA GLN A 3 14.158 -46.603 -7.229 1.00 0.00 H new ATOM 0 HB2 GLN A 3 16.471 -46.853 -6.122 1.00 0.00 H new ATOM 0 HB3 GLN A 3 16.028 -48.491 -5.684 1.00 0.00 H new ATOM 0 HG2 GLN A 3 15.745 -49.040 -8.147 1.00 0.00 H new ATOM 0 HG3 GLN A 3 16.275 -47.418 -8.547 1.00 0.00 H new ATOM 0 HE21 GLN A 3 17.336 -50.589 -7.281 1.00 0.00 H new ATOM 0 HE22 GLN A 3 19.066 -50.245 -7.396 1.00 0.00 H new ATOM 56 N LYS A 4 13.236 -49.340 -5.646 1.00 0.00 N ATOM 57 CA LYS A 4 12.331 -50.488 -5.694 1.00 0.00 C ATOM 58 C LYS A 4 10.864 -50.045 -5.889 1.00 0.00 C ATOM 59 O LYS A 4 10.159 -50.606 -6.729 1.00 0.00 O ATOM 60 CB LYS A 4 12.515 -51.319 -4.396 1.00 0.00 C ATOM 61 CG LYS A 4 11.986 -52.768 -4.494 1.00 0.00 C ATOM 62 CD LYS A 4 12.954 -53.703 -5.256 1.00 0.00 C ATOM 63 CE LYS A 4 12.371 -55.094 -5.521 1.00 0.00 C ATOM 64 NZ LYS A 4 11.469 -55.029 -6.669 1.00 0.00 N ATOM 0 H LYS A 4 13.687 -49.219 -4.739 1.00 0.00 H new ATOM 0 HA LYS A 4 12.577 -51.110 -6.555 1.00 0.00 H new ATOM 0 HB2 LYS A 4 13.575 -51.347 -4.142 1.00 0.00 H new ATOM 0 HB3 LYS A 4 12.005 -50.812 -3.577 1.00 0.00 H new ATOM 0 HG2 LYS A 4 11.823 -53.160 -3.490 1.00 0.00 H new ATOM 0 HG3 LYS A 4 11.019 -52.765 -4.996 1.00 0.00 H new ATOM 0 HD2 LYS A 4 13.221 -53.241 -6.207 1.00 0.00 H new ATOM 0 HD3 LYS A 4 13.875 -53.806 -4.682 1.00 0.00 H new ATOM 0 HE2 LYS A 4 13.173 -55.806 -5.714 1.00 0.00 H new ATOM 0 HE3 LYS A 4 11.834 -55.449 -4.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 11.378 -55.974 -7.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 10.534 -54.698 -6.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 11.852 -54.368 -7.375 1.00 0.00 H new ATOM 78 N LYS A 5 10.404 -49.015 -5.161 1.00 0.00 N ATOM 79 CA LYS A 5 9.085 -48.412 -5.381 1.00 0.00 C ATOM 80 C LYS A 5 8.903 -47.764 -6.773 1.00 0.00 C ATOM 81 O LYS A 5 7.819 -47.921 -7.343 1.00 0.00 O ATOM 82 CB LYS A 5 8.763 -47.413 -4.256 1.00 0.00 C ATOM 83 CG LYS A 5 8.436 -48.078 -2.897 1.00 0.00 C ATOM 84 CD LYS A 5 7.935 -47.032 -1.875 1.00 0.00 C ATOM 85 CE LYS A 5 9.051 -46.201 -1.227 1.00 0.00 C ATOM 86 NZ LYS A 5 8.570 -44.831 -1.091 1.00 0.00 N ATOM 0 H LYS A 5 10.936 -48.580 -4.407 1.00 0.00 H new ATOM 0 HA LYS A 5 8.369 -49.234 -5.357 1.00 0.00 H new ATOM 0 HB2 LYS A 5 9.612 -46.743 -4.126 1.00 0.00 H new ATOM 0 HB3 LYS A 5 7.916 -46.799 -4.561 1.00 0.00 H new ATOM 0 HG2 LYS A 5 7.676 -48.847 -3.038 1.00 0.00 H new ATOM 0 HG3 LYS A 5 9.325 -48.575 -2.508 1.00 0.00 H new ATOM 0 HD2 LYS A 5 7.238 -46.358 -2.374 1.00 0.00 H new ATOM 0 HD3 LYS A 5 7.377 -47.544 -1.091 1.00 0.00 H new ATOM 0 HE2 LYS A 5 9.315 -46.611 -0.252 1.00 0.00 H new ATOM 0 HE3 LYS A 5 9.952 -46.230 -1.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 9.055 -44.370 -0.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 8.767 -44.305 -1.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 7.545 -44.839 -0.915 1.00 0.00 H new ATOM 100 N ILE A 6 9.900 -47.061 -7.354 1.00 0.00 N ATOM 101 CA ILE A 6 9.863 -46.646 -8.775 1.00 0.00 C ATOM 102 C ILE A 6 9.773 -47.883 -9.686 1.00 0.00 C ATOM 103 O ILE A 6 8.962 -47.881 -10.608 1.00 0.00 O ATOM 104 CB ILE A 6 11.086 -45.771 -9.224 1.00 0.00 C ATOM 105 CG1 ILE A 6 11.220 -44.529 -8.325 1.00 0.00 C ATOM 106 CG2 ILE A 6 10.989 -45.307 -10.729 1.00 0.00 C ATOM 107 CD1 ILE A 6 12.640 -43.959 -8.315 1.00 0.00 C ATOM 0 H ILE A 6 10.743 -46.768 -6.860 1.00 0.00 H new ATOM 0 HA ILE A 6 8.976 -46.020 -8.872 1.00 0.00 H new ATOM 0 HB ILE A 6 11.967 -46.406 -9.126 1.00 0.00 H new ATOM 0 HG12 ILE A 6 10.527 -43.761 -8.668 1.00 0.00 H new ATOM 0 HG13 ILE A 6 10.930 -44.789 -7.307 1.00 0.00 H new ATOM 0 HG21 ILE A 6 11.862 -44.706 -10.981 1.00 0.00 H new ATOM 0 HG22 ILE A 6 10.951 -46.182 -11.378 1.00 0.00 H new ATOM 0 HG23 ILE A 6 10.086 -44.712 -10.869 1.00 0.00 H new ATOM 0 HD11 ILE A 6 12.677 -43.085 -7.665 1.00 0.00 H new ATOM 0 HD12 ILE A 6 13.333 -44.715 -7.946 1.00 0.00 H new ATOM 0 HD13 ILE A 6 12.923 -43.671 -9.327 1.00 0.00 H new ATOM 119 N GLU A 7 10.570 -48.935 -9.428 1.00 0.00 N ATOM 120 CA GLU A 7 10.488 -50.209 -10.147 1.00 0.00 C ATOM 121 C GLU A 7 9.099 -50.870 -10.033 1.00 0.00 C ATOM 122 O GLU A 7 8.593 -51.289 -11.067 1.00 0.00 O ATOM 123 CB GLU A 7 11.605 -51.145 -9.629 1.00 0.00 C ATOM 124 CG GLU A 7 11.791 -52.457 -10.447 1.00 0.00 C ATOM 125 CD GLU A 7 12.821 -53.382 -9.798 1.00 0.00 C ATOM 126 OE1 GLU A 7 12.453 -54.107 -8.870 1.00 0.00 O ATOM 127 OE2 GLU A 7 13.972 -53.370 -10.222 1.00 0.00 O ATOM 0 H GLU A 7 11.293 -48.920 -8.709 1.00 0.00 H new ATOM 0 HA GLU A 7 10.633 -50.015 -11.210 1.00 0.00 H new ATOM 0 HB2 GLU A 7 12.547 -50.597 -9.629 1.00 0.00 H new ATOM 0 HB3 GLU A 7 11.388 -51.407 -8.593 1.00 0.00 H new ATOM 0 HG2 GLU A 7 10.835 -52.975 -10.528 1.00 0.00 H new ATOM 0 HG3 GLU A 7 12.108 -52.213 -11.461 1.00 0.00 H new ATOM 134 N GLU A 8 8.428 -50.989 -8.872 1.00 0.00 N ATOM 135 CA GLU A 8 7.033 -51.466 -8.833 1.00 0.00 C ATOM 136 C GLU A 8 6.026 -50.548 -9.560 1.00 0.00 C ATOM 137 O GLU A 8 5.142 -51.061 -10.247 1.00 0.00 O ATOM 138 CB GLU A 8 6.527 -51.736 -7.387 1.00 0.00 C ATOM 139 CG GLU A 8 6.955 -53.108 -6.776 1.00 0.00 C ATOM 140 CD GLU A 8 8.301 -53.079 -6.055 1.00 0.00 C ATOM 141 OE1 GLU A 8 8.372 -52.506 -4.970 1.00 0.00 O ATOM 142 OE2 GLU A 8 9.258 -53.670 -6.562 1.00 0.00 O ATOM 0 H GLU A 8 8.823 -50.764 -7.959 1.00 0.00 H new ATOM 0 HA GLU A 8 7.073 -52.408 -9.380 1.00 0.00 H new ATOM 0 HB2 GLU A 8 6.890 -50.939 -6.738 1.00 0.00 H new ATOM 0 HB3 GLU A 8 5.438 -51.679 -7.384 1.00 0.00 H new ATOM 0 HG2 GLU A 8 6.187 -53.437 -6.076 1.00 0.00 H new ATOM 0 HG3 GLU A 8 6.998 -53.850 -7.573 1.00 0.00 H new ATOM 149 N GLU A 9 6.121 -49.216 -9.437 1.00 0.00 N ATOM 150 CA GLU A 9 5.212 -48.294 -10.129 1.00 0.00 C ATOM 151 C GLU A 9 5.516 -48.091 -11.617 1.00 0.00 C ATOM 152 O GLU A 9 4.566 -47.948 -12.386 1.00 0.00 O ATOM 153 CB GLU A 9 5.139 -46.947 -9.375 1.00 0.00 C ATOM 154 CG GLU A 9 4.651 -47.066 -7.889 1.00 0.00 C ATOM 155 CD GLU A 9 3.352 -47.857 -7.680 1.00 0.00 C ATOM 156 OE1 GLU A 9 2.419 -47.749 -8.484 1.00 0.00 O ATOM 157 OE2 GLU A 9 3.283 -48.586 -6.687 1.00 0.00 O ATOM 0 H GLU A 9 6.823 -48.752 -8.861 1.00 0.00 H new ATOM 0 HA GLU A 9 4.233 -48.772 -10.114 1.00 0.00 H new ATOM 0 HB2 GLU A 9 6.126 -46.484 -9.385 1.00 0.00 H new ATOM 0 HB3 GLU A 9 4.467 -46.278 -9.913 1.00 0.00 H new ATOM 0 HG2 GLU A 9 5.440 -47.536 -7.303 1.00 0.00 H new ATOM 0 HG3 GLU A 9 4.512 -46.062 -7.489 1.00 0.00 H new ATOM 164 N ALA A 10 6.766 -47.954 -12.054 1.00 0.00 N ATOM 165 CA ALA A 10 7.161 -48.096 -13.460 1.00 0.00 C ATOM 166 C ALA A 10 7.874 -49.400 -13.905 1.00 0.00 C ATOM 167 O ALA A 10 8.821 -49.333 -14.696 1.00 0.00 O ATOM 168 CB ALA A 10 7.975 -46.819 -13.783 1.00 0.00 C ATOM 0 H ALA A 10 7.547 -47.738 -11.435 1.00 0.00 H new ATOM 0 HA ALA A 10 6.250 -48.199 -14.049 1.00 0.00 H new ATOM 0 HB1 ALA A 10 8.306 -46.852 -14.821 1.00 0.00 H new ATOM 0 HB2 ALA A 10 7.349 -45.940 -13.629 1.00 0.00 H new ATOM 0 HB3 ALA A 10 8.843 -46.765 -13.126 1.00 0.00 H new ATOM 174 N ALA A 11 7.471 -50.614 -13.501 1.00 0.00 N ATOM 175 CA ALA A 11 7.925 -51.897 -14.084 1.00 0.00 C ATOM 176 C ALA A 11 7.705 -52.143 -15.606 1.00 0.00 C ATOM 177 O ALA A 11 7.638 -53.294 -16.046 1.00 0.00 O ATOM 178 CB ALA A 11 7.247 -53.010 -13.235 1.00 0.00 C ATOM 0 H ALA A 11 6.803 -50.740 -12.740 1.00 0.00 H new ATOM 0 HA ALA A 11 9.014 -51.888 -14.038 1.00 0.00 H new ATOM 0 HB1 ALA A 11 7.542 -53.988 -13.615 1.00 0.00 H new ATOM 0 HB2 ALA A 11 7.559 -52.915 -12.195 1.00 0.00 H new ATOM 0 HB3 ALA A 11 6.164 -52.908 -13.299 1.00 0.00 H new ATOM 184 N LYS A 12 7.679 -51.074 -16.424 1.00 0.00 N ATOM 185 CA LYS A 12 7.333 -51.053 -17.857 1.00 0.00 C ATOM 186 C LYS A 12 6.085 -51.893 -18.226 1.00 0.00 C ATOM 187 O LYS A 12 6.037 -52.628 -19.215 1.00 0.00 O ATOM 188 CB LYS A 12 8.586 -51.422 -18.703 1.00 0.00 C ATOM 189 CG LYS A 12 9.718 -50.369 -18.590 1.00 0.00 C ATOM 190 CD LYS A 12 10.984 -50.726 -19.401 1.00 0.00 C ATOM 191 CE LYS A 12 10.802 -50.588 -20.915 1.00 0.00 C ATOM 192 NZ LYS A 12 12.077 -50.905 -21.539 1.00 0.00 N ATOM 0 H LYS A 12 7.914 -50.143 -16.079 1.00 0.00 H new ATOM 0 HA LYS A 12 7.032 -50.034 -18.101 1.00 0.00 H new ATOM 0 HB2 LYS A 12 8.964 -52.392 -18.380 1.00 0.00 H new ATOM 0 HB3 LYS A 12 8.295 -51.526 -19.748 1.00 0.00 H new ATOM 0 HG2 LYS A 12 9.340 -49.405 -18.930 1.00 0.00 H new ATOM 0 HG3 LYS A 12 9.990 -50.253 -17.541 1.00 0.00 H new ATOM 0 HD2 LYS A 12 11.803 -50.082 -19.082 1.00 0.00 H new ATOM 0 HD3 LYS A 12 11.276 -51.751 -19.171 1.00 0.00 H new ATOM 0 HE2 LYS A 12 10.023 -51.262 -21.271 1.00 0.00 H new ATOM 0 HE3 LYS A 12 10.490 -49.576 -21.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 11.989 -50.821 -22.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 12.804 -50.244 -21.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 12.351 -51.878 -21.293 1.00 0.00 H new ATOM 206 N TYR A 13 5.022 -51.713 -17.434 1.00 0.00 N ATOM 207 CA TYR A 13 3.929 -52.659 -17.339 1.00 0.00 C ATOM 208 C TYR A 13 2.567 -51.993 -17.663 1.00 0.00 C ATOM 209 O TYR A 13 2.498 -50.991 -18.381 1.00 0.00 O ATOM 210 CB TYR A 13 4.067 -53.298 -15.907 1.00 0.00 C ATOM 211 CG TYR A 13 3.597 -52.411 -14.730 1.00 0.00 C ATOM 212 CD1 TYR A 13 4.056 -51.119 -14.474 1.00 0.00 C ATOM 213 CD2 TYR A 13 2.612 -52.897 -13.879 1.00 0.00 C ATOM 214 CE1 TYR A 13 3.514 -50.380 -13.453 1.00 0.00 C ATOM 215 CE2 TYR A 13 2.088 -52.150 -12.842 1.00 0.00 C ATOM 216 CZ TYR A 13 2.539 -50.876 -12.634 1.00 0.00 C ATOM 217 OH TYR A 13 2.032 -50.079 -11.652 1.00 0.00 O ATOM 0 H TYR A 13 4.905 -50.893 -16.838 1.00 0.00 H new ATOM 0 HA TYR A 13 3.972 -53.453 -18.084 1.00 0.00 H new ATOM 0 HB2 TYR A 13 3.498 -54.228 -15.887 1.00 0.00 H new ATOM 0 HB3 TYR A 13 5.112 -53.561 -15.745 1.00 0.00 H new ATOM 0 HD1 TYR A 13 4.842 -50.698 -15.083 1.00 0.00 H new ATOM 0 HD2 TYR A 13 2.241 -53.899 -14.035 1.00 0.00 H new ATOM 0 HE1 TYR A 13 3.870 -49.373 -13.291 1.00 0.00 H new ATOM 0 HE2 TYR A 13 1.327 -52.569 -12.200 1.00 0.00 H new ATOM 0 HH TYR A 13 2.076 -49.142 -11.936 1.00 0.00 H new ATOM 227 N LYS A 14 1.487 -52.499 -17.072 1.00 0.00 N ATOM 228 CA LYS A 14 0.094 -52.224 -17.442 1.00 0.00 C ATOM 229 C LYS A 14 -0.411 -50.812 -17.090 1.00 0.00 C ATOM 230 O LYS A 14 -1.054 -50.155 -17.913 1.00 0.00 O ATOM 231 CB LYS A 14 -0.815 -53.283 -16.765 1.00 0.00 C ATOM 232 CG LYS A 14 -0.537 -54.723 -17.250 1.00 0.00 C ATOM 233 CD LYS A 14 -1.440 -55.739 -16.529 1.00 0.00 C ATOM 234 CE LYS A 14 -1.149 -57.161 -17.000 1.00 0.00 C ATOM 235 NZ LYS A 14 -2.038 -58.057 -16.276 1.00 0.00 N ATOM 0 H LYS A 14 1.559 -53.143 -16.284 1.00 0.00 H new ATOM 0 HA LYS A 14 0.052 -52.279 -18.530 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -0.674 -53.237 -15.685 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -1.858 -53.036 -16.961 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -0.702 -54.785 -18.326 1.00 0.00 H new ATOM 0 HG3 LYS A 14 0.509 -54.973 -17.073 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -1.284 -55.670 -15.452 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -2.486 -55.497 -16.716 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -1.310 -57.248 -18.075 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -0.107 -57.421 -16.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -1.863 -59.037 -16.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -1.861 -57.971 -15.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -3.026 -57.804 -16.479 1.00 0.00 H new ATOM 249 N TYR A 15 -0.125 -50.327 -15.875 1.00 0.00 N ATOM 250 CA TYR A 15 -0.681 -49.073 -15.366 1.00 0.00 C ATOM 251 C TYR A 15 0.039 -47.806 -15.889 1.00 0.00 C ATOM 252 O TYR A 15 0.850 -47.151 -15.223 1.00 0.00 O ATOM 253 CB TYR A 15 -0.758 -49.157 -13.819 1.00 0.00 C ATOM 254 CG TYR A 15 -1.829 -50.158 -13.348 1.00 0.00 C ATOM 255 CD1 TYR A 15 -3.166 -50.021 -13.690 1.00 0.00 C ATOM 256 CD2 TYR A 15 -1.495 -51.238 -12.550 1.00 0.00 C ATOM 257 CE1 TYR A 15 -4.119 -50.923 -13.259 1.00 0.00 C ATOM 258 CE2 TYR A 15 -2.440 -52.146 -12.115 1.00 0.00 C ATOM 259 CZ TYR A 15 -3.755 -51.984 -12.473 1.00 0.00 C ATOM 260 OH TYR A 15 -4.703 -52.862 -12.057 1.00 0.00 O ATOM 0 H TYR A 15 0.499 -50.796 -15.219 1.00 0.00 H new ATOM 0 HA TYR A 15 -1.690 -48.955 -15.761 1.00 0.00 H new ATOM 0 HB2 TYR A 15 0.214 -49.453 -13.423 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -0.981 -48.170 -13.413 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -3.469 -49.189 -14.308 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -0.464 -51.375 -12.259 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -5.153 -50.792 -13.542 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -2.146 -52.980 -11.496 1.00 0.00 H new ATOM 0 HH TYR A 15 -4.286 -53.559 -11.509 1.00 0.00 H new ATOM 270 N ALA A 16 -0.352 -47.502 -17.137 1.00 0.00 N ATOM 271 CA ALA A 16 0.151 -46.405 -17.967 1.00 0.00 C ATOM 272 C ALA A 16 0.092 -45.001 -17.344 1.00 0.00 C ATOM 273 O ALA A 16 1.133 -44.352 -17.251 1.00 0.00 O ATOM 274 CB ALA A 16 -0.619 -46.449 -19.305 1.00 0.00 C ATOM 0 H ALA A 16 -1.068 -48.048 -17.617 1.00 0.00 H new ATOM 0 HA ALA A 16 1.221 -46.570 -18.095 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -0.271 -45.644 -19.952 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -0.445 -47.408 -19.793 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -1.685 -46.326 -19.115 1.00 0.00 H new ATOM 280 N MET A 17 -1.079 -44.540 -16.887 1.00 0.00 N ATOM 281 CA MET A 17 -1.246 -43.211 -16.284 1.00 0.00 C ATOM 282 C MET A 17 -0.499 -43.048 -14.944 1.00 0.00 C ATOM 283 O MET A 17 -0.053 -41.954 -14.600 1.00 0.00 O ATOM 284 CB MET A 17 -2.754 -42.898 -16.110 1.00 0.00 C ATOM 285 CG MET A 17 -3.496 -42.738 -17.456 1.00 0.00 C ATOM 286 SD MET A 17 -5.262 -42.397 -17.236 1.00 0.00 S ATOM 287 CE MET A 17 -5.267 -40.586 -17.263 1.00 0.00 C ATOM 0 H MET A 17 -1.943 -45.082 -16.925 1.00 0.00 H new ATOM 0 HA MET A 17 -0.795 -42.493 -16.969 1.00 0.00 H new ATOM 0 HB2 MET A 17 -3.222 -43.698 -15.536 1.00 0.00 H new ATOM 0 HB3 MET A 17 -2.865 -41.982 -15.529 1.00 0.00 H new ATOM 0 HG2 MET A 17 -3.040 -41.927 -18.025 1.00 0.00 H new ATOM 0 HG3 MET A 17 -3.375 -43.647 -18.045 1.00 0.00 H new ATOM 0 HE1 MET A 17 -6.287 -40.223 -17.138 1.00 0.00 H new ATOM 0 HE2 MET A 17 -4.646 -40.208 -16.451 1.00 0.00 H new ATOM 0 HE3 MET A 17 -4.871 -40.235 -18.216 1.00 0.00 H new ATOM 297 N LEU A 18 -0.326 -44.152 -14.211 1.00 0.00 N ATOM 298 CA LEU A 18 0.337 -44.195 -12.917 1.00 0.00 C ATOM 299 C LEU A 18 1.871 -44.153 -13.034 1.00 0.00 C ATOM 300 O LEU A 18 2.519 -43.344 -12.357 1.00 0.00 O ATOM 301 CB LEU A 18 -0.165 -45.473 -12.199 1.00 0.00 C ATOM 302 CG LEU A 18 -1.693 -45.587 -11.880 1.00 0.00 C ATOM 303 CD1 LEU A 18 -2.179 -44.384 -11.077 1.00 0.00 C ATOM 304 CD2 LEU A 18 -2.698 -45.813 -13.029 1.00 0.00 C ATOM 0 H LEU A 18 -0.657 -45.067 -14.518 1.00 0.00 H new ATOM 0 HA LEU A 18 0.086 -43.307 -12.336 1.00 0.00 H new ATOM 0 HB2 LEU A 18 0.113 -46.331 -12.812 1.00 0.00 H new ATOM 0 HB3 LEU A 18 0.380 -45.563 -11.259 1.00 0.00 H new ATOM 0 HG LEU A 18 -1.702 -46.526 -11.326 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.244 -44.491 -10.870 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.630 -44.329 -10.137 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.010 -43.472 -11.650 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.708 -45.867 -12.623 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.634 -44.986 -13.736 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.462 -46.746 -13.540 1.00 0.00 H new ATOM 316 N LYS A 19 2.487 -44.999 -13.875 1.00 0.00 N ATOM 317 CA LYS A 19 3.882 -44.766 -14.264 1.00 0.00 C ATOM 318 C LYS A 19 4.105 -43.435 -15.021 1.00 0.00 C ATOM 319 O LYS A 19 5.188 -42.859 -14.912 1.00 0.00 O ATOM 320 CB LYS A 19 4.479 -45.976 -15.024 1.00 0.00 C ATOM 321 CG LYS A 19 3.891 -46.344 -16.400 1.00 0.00 C ATOM 322 CD LYS A 19 4.595 -47.598 -16.981 1.00 0.00 C ATOM 323 CE LYS A 19 4.190 -47.907 -18.428 1.00 0.00 C ATOM 324 NZ LYS A 19 2.857 -48.499 -18.460 1.00 0.00 N ATOM 0 H LYS A 19 2.055 -45.826 -14.287 1.00 0.00 H new ATOM 0 HA LYS A 19 4.433 -44.661 -13.329 1.00 0.00 H new ATOM 0 HB2 LYS A 19 5.545 -45.790 -15.158 1.00 0.00 H new ATOM 0 HB3 LYS A 19 4.387 -46.850 -14.380 1.00 0.00 H new ATOM 0 HG2 LYS A 19 2.822 -46.533 -16.305 1.00 0.00 H new ATOM 0 HG3 LYS A 19 4.007 -45.505 -17.086 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.674 -47.453 -16.936 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.363 -48.459 -16.354 1.00 0.00 H new ATOM 0 HE2 LYS A 19 4.205 -46.993 -19.021 1.00 0.00 H new ATOM 0 HE3 LYS A 19 4.911 -48.590 -18.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 2.320 -48.102 -19.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 2.937 -49.529 -18.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 2.362 -48.288 -17.570 1.00 0.00 H new ATOM 338 N LYS A 20 3.128 -42.894 -15.769 1.00 0.00 N ATOM 339 CA LYS A 20 3.188 -41.512 -16.260 1.00 0.00 C ATOM 340 C LYS A 20 3.117 -40.495 -15.088 1.00 0.00 C ATOM 341 O LYS A 20 3.802 -39.475 -15.191 1.00 0.00 O ATOM 342 CB LYS A 20 2.060 -41.316 -17.314 1.00 0.00 C ATOM 343 CG LYS A 20 2.153 -40.124 -18.312 1.00 0.00 C ATOM 344 CD LYS A 20 1.800 -38.720 -17.767 1.00 0.00 C ATOM 345 CE LYS A 20 0.342 -38.554 -17.324 1.00 0.00 C ATOM 346 NZ LYS A 20 0.254 -37.258 -16.666 1.00 0.00 N ATOM 0 H LYS A 20 2.285 -43.398 -16.046 1.00 0.00 H new ATOM 0 HA LYS A 20 4.145 -41.322 -16.746 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.997 -42.232 -17.902 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.119 -41.219 -16.773 1.00 0.00 H new ATOM 0 HG2 LYS A 20 3.170 -40.089 -18.704 1.00 0.00 H new ATOM 0 HG3 LYS A 20 1.494 -40.336 -19.154 1.00 0.00 H new ATOM 0 HD2 LYS A 20 2.450 -38.500 -16.920 1.00 0.00 H new ATOM 0 HD3 LYS A 20 2.018 -37.980 -18.537 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -0.331 -38.601 -18.180 1.00 0.00 H new ATOM 0 HE3 LYS A 20 0.050 -39.355 -16.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -0.664 -37.175 -16.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 1.020 -37.170 -15.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 0.342 -36.502 -17.375 1.00 0.00 H new ATOM 360 N CYS A 21 2.359 -40.685 -13.979 1.00 0.00 N ATOM 361 CA CYS A 21 2.547 -39.885 -12.750 1.00 0.00 C ATOM 362 C CYS A 21 3.973 -39.947 -12.163 1.00 0.00 C ATOM 363 O CYS A 21 4.471 -38.912 -11.706 1.00 0.00 O ATOM 364 CB CYS A 21 1.531 -40.246 -11.646 1.00 0.00 C ATOM 365 SG CYS A 21 -0.063 -39.389 -11.730 1.00 0.00 S ATOM 0 H CYS A 21 1.617 -41.382 -13.914 1.00 0.00 H new ATOM 0 HA CYS A 21 2.373 -38.861 -13.082 1.00 0.00 H new ATOM 0 HB2 CYS A 21 1.347 -41.320 -11.685 1.00 0.00 H new ATOM 0 HB3 CYS A 21 1.985 -40.035 -10.678 1.00 0.00 H new ATOM 370 N CYS A 22 4.639 -41.121 -12.172 1.00 0.00 N ATOM 371 CA CYS A 22 6.103 -41.202 -11.970 1.00 0.00 C ATOM 372 C CYS A 22 6.845 -40.243 -12.890 1.00 0.00 C ATOM 373 O CYS A 22 7.614 -39.397 -12.438 1.00 0.00 O ATOM 374 CB CYS A 22 6.637 -42.659 -12.004 1.00 0.00 C ATOM 375 SG CYS A 22 7.951 -43.004 -10.793 1.00 0.00 S ATOM 0 H CYS A 22 4.188 -42.024 -12.317 1.00 0.00 H new ATOM 0 HA CYS A 22 6.313 -40.864 -10.955 1.00 0.00 H new ATOM 0 HB2 CYS A 22 5.806 -43.342 -11.826 1.00 0.00 H new ATOM 0 HB3 CYS A 22 7.016 -42.871 -13.004 1.00 0.00 H new ATOM 380 N TYR A 23 6.574 -40.313 -14.177 1.00 0.00 N ATOM 381 CA TYR A 23 7.323 -39.512 -15.128 1.00 0.00 C ATOM 382 C TYR A 23 6.951 -38.008 -15.132 1.00 0.00 C ATOM 383 O TYR A 23 7.779 -37.180 -15.520 1.00 0.00 O ATOM 384 CB TYR A 23 7.294 -40.292 -16.430 1.00 0.00 C ATOM 385 CG TYR A 23 7.833 -41.745 -16.267 1.00 0.00 C ATOM 386 CD1 TYR A 23 8.486 -42.308 -15.140 1.00 0.00 C ATOM 387 CD2 TYR A 23 7.751 -42.529 -17.402 1.00 0.00 C ATOM 388 CE1 TYR A 23 9.066 -43.560 -15.237 1.00 0.00 C ATOM 389 CE2 TYR A 23 8.324 -43.780 -17.483 1.00 0.00 C ATOM 390 CZ TYR A 23 8.992 -44.286 -16.399 1.00 0.00 C ATOM 391 OH TYR A 23 9.595 -45.500 -16.470 1.00 0.00 O ATOM 0 H TYR A 23 5.852 -40.906 -14.586 1.00 0.00 H new ATOM 0 HA TYR A 23 8.369 -39.384 -14.851 1.00 0.00 H new ATOM 0 HB2 TYR A 23 6.272 -40.327 -16.806 1.00 0.00 H new ATOM 0 HB3 TYR A 23 7.890 -39.768 -17.177 1.00 0.00 H new ATOM 0 HD1 TYR A 23 8.530 -41.761 -14.210 1.00 0.00 H new ATOM 0 HD2 TYR A 23 7.217 -42.146 -18.259 1.00 0.00 H new ATOM 0 HE1 TYR A 23 9.585 -43.973 -14.385 1.00 0.00 H new ATOM 0 HE2 TYR A 23 8.247 -44.356 -18.393 1.00 0.00 H new ATOM 0 HH TYR A 23 9.449 -45.886 -17.359 1.00 0.00 H new ATOM 401 N ASP A 24 5.748 -37.635 -14.648 1.00 0.00 N ATOM 402 CA ASP A 24 5.459 -36.285 -14.136 1.00 0.00 C ATOM 403 C ASP A 24 6.382 -35.876 -12.973 1.00 0.00 C ATOM 404 O ASP A 24 6.941 -34.781 -13.013 1.00 0.00 O ATOM 405 CB ASP A 24 3.977 -36.122 -13.693 1.00 0.00 C ATOM 406 CG ASP A 24 2.986 -36.175 -14.851 1.00 0.00 C ATOM 407 OD1 ASP A 24 3.182 -35.486 -15.849 1.00 0.00 O ATOM 408 OD2 ASP A 24 1.976 -36.869 -14.731 1.00 0.00 O ATOM 0 H ASP A 24 4.948 -38.267 -14.602 1.00 0.00 H new ATOM 0 HA ASP A 24 5.650 -35.620 -14.978 1.00 0.00 H new ATOM 0 HB2 ASP A 24 3.731 -36.908 -12.979 1.00 0.00 H new ATOM 0 HB3 ASP A 24 3.864 -35.171 -13.172 1.00 0.00 H new ATOM 413 N GLY A 25 6.547 -36.733 -11.952 1.00 0.00 N ATOM 414 CA GLY A 25 7.499 -36.509 -10.852 1.00 0.00 C ATOM 415 C GLY A 25 8.970 -36.416 -11.271 1.00 0.00 C ATOM 416 O GLY A 25 9.703 -35.593 -10.723 1.00 0.00 O ATOM 0 H GLY A 25 6.022 -37.603 -11.866 1.00 0.00 H new ATOM 0 HA2 GLY A 25 7.225 -35.588 -10.338 1.00 0.00 H new ATOM 0 HA3 GLY A 25 7.394 -37.320 -10.131 1.00 0.00 H new ATOM 420 N ALA A 26 9.405 -37.267 -12.210 1.00 0.00 N ATOM 421 CA ALA A 26 10.739 -37.184 -12.810 1.00 0.00 C ATOM 422 C ALA A 26 10.959 -35.893 -13.627 1.00 0.00 C ATOM 423 O ALA A 26 12.026 -35.281 -13.521 1.00 0.00 O ATOM 424 CB ALA A 26 10.989 -38.432 -13.678 1.00 0.00 C ATOM 0 H ALA A 26 8.839 -38.033 -12.574 1.00 0.00 H new ATOM 0 HA ALA A 26 11.462 -37.148 -11.995 1.00 0.00 H new ATOM 0 HB1 ALA A 26 11.981 -38.371 -14.125 1.00 0.00 H new ATOM 0 HB2 ALA A 26 10.925 -39.326 -13.057 1.00 0.00 H new ATOM 0 HB3 ALA A 26 10.238 -38.483 -14.467 1.00 0.00 H new ATOM 430 N TYR A 27 9.982 -35.449 -14.435 1.00 0.00 N ATOM 431 CA TYR A 27 10.060 -34.165 -15.139 1.00 0.00 C ATOM 432 C TYR A 27 9.825 -32.955 -14.193 1.00 0.00 C ATOM 433 O TYR A 27 8.759 -32.326 -14.148 1.00 0.00 O ATOM 434 CB TYR A 27 9.074 -34.233 -16.345 1.00 0.00 C ATOM 435 CG TYR A 27 9.159 -33.020 -17.287 1.00 0.00 C ATOM 436 CD1 TYR A 27 10.324 -32.694 -17.966 1.00 0.00 C ATOM 437 CD2 TYR A 27 8.054 -32.213 -17.505 1.00 0.00 C ATOM 438 CE1 TYR A 27 10.382 -31.609 -18.818 1.00 0.00 C ATOM 439 CE2 TYR A 27 8.104 -31.125 -18.356 1.00 0.00 C ATOM 440 CZ TYR A 27 9.274 -30.826 -19.011 1.00 0.00 C ATOM 441 OH TYR A 27 9.353 -29.757 -19.842 1.00 0.00 O ATOM 0 H TYR A 27 9.123 -35.968 -14.616 1.00 0.00 H new ATOM 0 HA TYR A 27 11.068 -33.996 -15.519 1.00 0.00 H new ATOM 0 HB2 TYR A 27 9.276 -35.139 -16.916 1.00 0.00 H new ATOM 0 HB3 TYR A 27 8.056 -34.315 -15.965 1.00 0.00 H new ATOM 0 HD1 TYR A 27 11.205 -33.302 -17.825 1.00 0.00 H new ATOM 0 HD2 TYR A 27 7.129 -32.440 -16.996 1.00 0.00 H new ATOM 0 HE1 TYR A 27 11.302 -31.377 -19.333 1.00 0.00 H new ATOM 0 HE2 TYR A 27 7.227 -30.513 -18.505 1.00 0.00 H new ATOM 0 HH TYR A 27 8.485 -29.303 -19.875 1.00 0.00 H new ATOM 451 N ARG A 28 10.842 -32.669 -13.367 1.00 0.00 N ATOM 452 CA ARG A 28 10.907 -31.446 -12.564 1.00 0.00 C ATOM 453 C ARG A 28 11.731 -30.357 -13.292 1.00 0.00 C ATOM 454 O ARG A 28 12.937 -30.498 -13.520 1.00 0.00 O ATOM 455 CB ARG A 28 11.496 -31.828 -11.189 1.00 0.00 C ATOM 456 CG ARG A 28 11.362 -30.739 -10.103 1.00 0.00 C ATOM 457 CD ARG A 28 11.973 -31.232 -8.792 1.00 0.00 C ATOM 458 NE ARG A 28 11.921 -30.170 -7.784 1.00 0.00 N ATOM 459 CZ ARG A 28 12.349 -30.290 -6.556 1.00 0.00 C ATOM 460 NH1 ARG A 28 12.733 -31.389 -6.035 1.00 0.00 N ATOM 461 NH2 ARG A 28 12.364 -29.266 -5.805 1.00 0.00 N ATOM 0 H ARG A 28 11.645 -33.285 -13.239 1.00 0.00 H new ATOM 0 HA ARG A 28 9.917 -31.015 -12.418 1.00 0.00 H new ATOM 0 HB2 ARG A 28 11.003 -32.735 -10.837 1.00 0.00 H new ATOM 0 HB3 ARG A 28 12.552 -32.067 -11.315 1.00 0.00 H new ATOM 0 HG2 ARG A 28 11.863 -29.827 -10.427 1.00 0.00 H new ATOM 0 HG3 ARG A 28 10.311 -30.490 -9.953 1.00 0.00 H new ATOM 0 HD2 ARG A 28 11.432 -32.109 -8.436 1.00 0.00 H new ATOM 0 HD3 ARG A 28 13.006 -31.539 -8.956 1.00 0.00 H new ATOM 0 HE ARG A 28 11.522 -29.273 -8.061 1.00 0.00 H new ATOM 0 HH11 ARG A 28 12.717 -32.247 -6.586 1.00 0.00 H new ATOM 0 HH12 ARG A 28 13.056 -31.409 -5.068 1.00 0.00 H new ATOM 0 HH21 ARG A 28 12.045 -28.366 -6.163 1.00 0.00 H new ATOM 0 HH22 ARG A 28 12.695 -29.344 -4.843 1.00 0.00 H new ATOM 475 N ASN A 29 11.079 -29.247 -13.665 1.00 0.00 N ATOM 476 CA ASN A 29 11.623 -28.276 -14.620 1.00 0.00 C ATOM 477 C ASN A 29 11.461 -26.806 -14.146 1.00 0.00 C ATOM 478 O ASN A 29 12.187 -26.414 -13.230 1.00 0.00 O ATOM 479 CB ASN A 29 10.998 -28.593 -16.020 1.00 0.00 C ATOM 480 CG ASN A 29 9.470 -28.520 -16.000 1.00 0.00 C ATOM 481 OD1 ASN A 29 8.895 -27.558 -16.494 1.00 0.00 O ATOM 482 ND2 ASN A 29 8.767 -29.462 -15.399 1.00 0.00 N ATOM 0 H ASN A 29 10.156 -28.998 -13.310 1.00 0.00 H new ATOM 0 HA ASN A 29 12.706 -28.377 -14.697 1.00 0.00 H new ATOM 0 HB2 ASN A 29 11.384 -27.888 -16.756 1.00 0.00 H new ATOM 0 HB3 ASN A 29 11.308 -29.588 -16.338 1.00 0.00 H new ATOM 0 HD21 ASN A 29 7.751 -29.386 -15.348 1.00 0.00 H new ATOM 0 HD22 ASN A 29 9.240 -30.266 -14.986 1.00 0.00 H new ATOM 489 N ASP A 30 10.565 -25.963 -14.697 1.00 0.00 N ATOM 490 CA ASP A 30 10.292 -24.598 -14.224 1.00 0.00 C ATOM 491 C ASP A 30 9.704 -24.552 -12.791 1.00 0.00 C ATOM 492 O ASP A 30 9.816 -23.550 -12.084 1.00 0.00 O ATOM 493 CB ASP A 30 9.328 -23.960 -15.271 1.00 0.00 C ATOM 494 CG ASP A 30 9.072 -22.472 -15.036 1.00 0.00 C ATOM 495 OD1 ASP A 30 9.973 -21.675 -15.285 1.00 0.00 O ATOM 496 OD2 ASP A 30 7.958 -22.136 -14.644 1.00 0.00 O ATOM 0 H ASP A 30 9.998 -26.223 -15.504 1.00 0.00 H new ATOM 0 HA ASP A 30 11.223 -24.036 -14.146 1.00 0.00 H new ATOM 0 HB2 ASP A 30 9.746 -24.096 -16.268 1.00 0.00 H new ATOM 0 HB3 ASP A 30 8.377 -24.492 -15.249 1.00 0.00 H new ATOM 501 N ASP A 31 9.070 -25.653 -12.372 1.00 0.00 N ATOM 502 CA ASP A 31 8.560 -25.848 -11.020 1.00 0.00 C ATOM 503 C ASP A 31 9.687 -25.984 -9.967 1.00 0.00 C ATOM 504 O ASP A 31 10.624 -26.780 -10.092 1.00 0.00 O ATOM 505 CB ASP A 31 7.587 -27.067 -11.019 1.00 0.00 C ATOM 506 CG ASP A 31 8.216 -28.372 -11.514 1.00 0.00 C ATOM 507 OD1 ASP A 31 8.625 -28.453 -12.676 1.00 0.00 O ATOM 508 OD2 ASP A 31 8.250 -29.332 -10.746 1.00 0.00 O ATOM 0 H ASP A 31 8.896 -26.451 -12.983 1.00 0.00 H new ATOM 0 HA ASP A 31 8.010 -24.956 -10.721 1.00 0.00 H new ATOM 0 HB2 ASP A 31 7.213 -27.218 -10.006 1.00 0.00 H new ATOM 0 HB3 ASP A 31 6.726 -26.831 -11.645 1.00 0.00 H new ATOM 513 N GLU A 32 9.593 -25.128 -8.945 1.00 0.00 N ATOM 514 CA GLU A 32 10.498 -25.126 -7.793 1.00 0.00 C ATOM 515 C GLU A 32 10.397 -26.390 -6.917 1.00 0.00 C ATOM 516 O GLU A 32 11.384 -27.118 -6.787 1.00 0.00 O ATOM 517 CB GLU A 32 10.258 -23.845 -6.954 1.00 0.00 C ATOM 518 CG GLU A 32 10.652 -22.544 -7.719 1.00 0.00 C ATOM 519 CD GLU A 32 10.323 -21.282 -6.920 1.00 0.00 C ATOM 520 OE1 GLU A 32 9.176 -20.844 -6.969 1.00 0.00 O ATOM 521 OE2 GLU A 32 11.221 -20.751 -6.271 1.00 0.00 O ATOM 0 H GLU A 32 8.874 -24.406 -8.895 1.00 0.00 H new ATOM 0 HA GLU A 32 11.515 -25.132 -8.185 1.00 0.00 H new ATOM 0 HB2 GLU A 32 9.207 -23.792 -6.672 1.00 0.00 H new ATOM 0 HB3 GLU A 32 10.833 -23.907 -6.030 1.00 0.00 H new ATOM 0 HG2 GLU A 32 11.719 -22.564 -7.941 1.00 0.00 H new ATOM 0 HG3 GLU A 32 10.129 -22.514 -8.675 1.00 0.00 H new ATOM 528 N THR A 33 9.220 -26.687 -6.346 1.00 0.00 N ATOM 529 CA THR A 33 9.035 -27.799 -5.399 1.00 0.00 C ATOM 530 C THR A 33 7.938 -28.773 -5.868 1.00 0.00 C ATOM 531 O THR A 33 6.749 -28.436 -5.885 1.00 0.00 O ATOM 532 CB THR A 33 8.725 -27.261 -3.972 1.00 0.00 C ATOM 533 OG1 THR A 33 9.803 -26.450 -3.537 1.00 0.00 O ATOM 534 CG2 THR A 33 8.646 -28.334 -2.884 1.00 0.00 C ATOM 0 H THR A 33 8.365 -26.161 -6.528 1.00 0.00 H new ATOM 0 HA THR A 33 9.971 -28.357 -5.362 1.00 0.00 H new ATOM 0 HB THR A 33 7.764 -26.758 -4.079 1.00 0.00 H new ATOM 0 HG1 THR A 33 9.613 -26.107 -2.639 1.00 0.00 H new ATOM 0 HG21 THR A 33 8.426 -27.864 -1.925 1.00 0.00 H new ATOM 0 HG22 THR A 33 7.856 -29.044 -3.130 1.00 0.00 H new ATOM 0 HG23 THR A 33 9.599 -28.859 -2.821 1.00 0.00 H new ATOM 542 N CYS A 34 8.342 -30.002 -6.228 1.00 0.00 N ATOM 543 CA CYS A 34 7.446 -31.038 -6.756 1.00 0.00 C ATOM 544 C CYS A 34 6.336 -31.535 -5.804 1.00 0.00 C ATOM 545 O CYS A 34 5.282 -31.959 -6.281 1.00 0.00 O ATOM 546 CB CYS A 34 8.251 -32.210 -7.375 1.00 0.00 C ATOM 547 SG CYS A 34 9.538 -32.979 -6.354 1.00 0.00 S ATOM 0 H CYS A 34 9.313 -30.306 -6.159 1.00 0.00 H new ATOM 0 HA CYS A 34 6.886 -30.531 -7.542 1.00 0.00 H new ATOM 0 HB2 CYS A 34 7.544 -32.987 -7.665 1.00 0.00 H new ATOM 0 HB3 CYS A 34 8.720 -31.849 -8.290 1.00 0.00 H new ATOM 552 N GLU A 35 6.522 -31.480 -4.479 1.00 0.00 N ATOM 553 CA GLU A 35 5.478 -31.813 -3.502 1.00 0.00 C ATOM 554 C GLU A 35 4.321 -30.783 -3.437 1.00 0.00 C ATOM 555 O GLU A 35 3.190 -31.169 -3.144 1.00 0.00 O ATOM 556 CB GLU A 35 6.156 -32.051 -2.125 1.00 0.00 C ATOM 557 CG GLU A 35 5.178 -32.577 -1.024 1.00 0.00 C ATOM 558 CD GLU A 35 5.895 -33.020 0.251 1.00 0.00 C ATOM 559 OE1 GLU A 35 6.352 -32.168 1.007 1.00 0.00 O ATOM 560 OE2 GLU A 35 5.980 -34.230 0.473 1.00 0.00 O ATOM 0 H GLU A 35 7.406 -31.202 -4.053 1.00 0.00 H new ATOM 0 HA GLU A 35 4.981 -32.727 -3.828 1.00 0.00 H new ATOM 0 HB2 GLU A 35 6.968 -32.767 -2.249 1.00 0.00 H new ATOM 0 HB3 GLU A 35 6.604 -31.117 -1.784 1.00 0.00 H new ATOM 0 HG2 GLU A 35 4.462 -31.793 -0.778 1.00 0.00 H new ATOM 0 HG3 GLU A 35 4.608 -33.416 -1.423 1.00 0.00 H new ATOM 567 N GLU A 36 4.537 -29.487 -3.716 1.00 0.00 N ATOM 568 CA GLU A 36 3.459 -28.486 -3.830 1.00 0.00 C ATOM 569 C GLU A 36 2.607 -28.729 -5.099 1.00 0.00 C ATOM 570 O GLU A 36 1.369 -28.750 -5.087 1.00 0.00 O ATOM 571 CB GLU A 36 4.128 -27.077 -3.788 1.00 0.00 C ATOM 572 CG GLU A 36 3.184 -25.824 -3.878 1.00 0.00 C ATOM 573 CD GLU A 36 2.777 -25.412 -5.301 1.00 0.00 C ATOM 574 OE1 GLU A 36 3.613 -25.432 -6.203 1.00 0.00 O ATOM 575 OE2 GLU A 36 1.613 -25.054 -5.490 1.00 0.00 O ATOM 0 H GLU A 36 5.468 -29.101 -3.870 1.00 0.00 H new ATOM 0 HA GLU A 36 2.755 -28.564 -3.002 1.00 0.00 H new ATOM 0 HB2 GLU A 36 4.699 -27.003 -2.862 1.00 0.00 H new ATOM 0 HB3 GLU A 36 4.843 -27.019 -4.609 1.00 0.00 H new ATOM 0 HG2 GLU A 36 2.280 -26.028 -3.304 1.00 0.00 H new ATOM 0 HG3 GLU A 36 3.681 -24.980 -3.401 1.00 0.00 H new ATOM 582 N ARG A 37 3.340 -28.931 -6.198 1.00 0.00 N ATOM 583 CA ARG A 37 2.816 -29.442 -7.460 1.00 0.00 C ATOM 584 C ARG A 37 2.023 -30.758 -7.276 1.00 0.00 C ATOM 585 O ARG A 37 0.909 -30.857 -7.791 1.00 0.00 O ATOM 586 CB ARG A 37 4.063 -29.623 -8.349 1.00 0.00 C ATOM 587 CG ARG A 37 3.832 -30.123 -9.780 1.00 0.00 C ATOM 588 CD ARG A 37 5.167 -30.541 -10.381 1.00 0.00 C ATOM 589 NE ARG A 37 4.933 -31.106 -11.705 1.00 0.00 N ATOM 590 CZ ARG A 37 5.864 -31.566 -12.494 1.00 0.00 C ATOM 591 NH1 ARG A 37 7.121 -31.433 -12.303 1.00 0.00 N ATOM 592 NH2 ARG A 37 5.519 -32.165 -13.561 1.00 0.00 N ATOM 0 H ARG A 37 4.341 -28.737 -6.231 1.00 0.00 H new ATOM 0 HA ARG A 37 2.093 -28.761 -7.909 1.00 0.00 H new ATOM 0 HB2 ARG A 37 4.581 -28.666 -8.404 1.00 0.00 H new ATOM 0 HB3 ARG A 37 4.736 -30.321 -7.851 1.00 0.00 H new ATOM 0 HG2 ARG A 37 3.140 -30.965 -9.777 1.00 0.00 H new ATOM 0 HG3 ARG A 37 3.376 -29.338 -10.384 1.00 0.00 H new ATOM 0 HD2 ARG A 37 5.835 -29.682 -10.450 1.00 0.00 H new ATOM 0 HD3 ARG A 37 5.656 -31.274 -9.739 1.00 0.00 H new ATOM 0 HE ARG A 37 3.970 -31.144 -12.039 1.00 0.00 H new ATOM 0 HH11 ARG A 37 7.462 -30.935 -11.481 1.00 0.00 H new ATOM 0 HH12 ARG A 37 7.783 -31.825 -12.973 1.00 0.00 H new ATOM 0 HH21 ARG A 37 4.530 -32.278 -13.786 1.00 0.00 H new ATOM 0 HH22 ARG A 37 6.231 -32.533 -14.192 1.00 0.00 H new ATOM 606 N ALA A 38 2.527 -31.779 -6.564 1.00 0.00 N ATOM 607 CA ALA A 38 1.747 -32.976 -6.233 1.00 0.00 C ATOM 608 C ALA A 38 0.904 -32.939 -4.935 1.00 0.00 C ATOM 609 O ALA A 38 0.346 -33.955 -4.505 1.00 0.00 O ATOM 610 CB ALA A 38 2.636 -34.196 -6.374 1.00 0.00 C ATOM 0 H ALA A 38 3.481 -31.796 -6.205 1.00 0.00 H new ATOM 0 HA ALA A 38 0.940 -33.026 -6.964 1.00 0.00 H new ATOM 0 HB1 ALA A 38 2.065 -35.092 -6.130 1.00 0.00 H new ATOM 0 HB2 ALA A 38 2.999 -34.265 -7.399 1.00 0.00 H new ATOM 0 HB3 ALA A 38 3.484 -34.109 -5.694 1.00 0.00 H new ATOM 616 N ALA A 39 0.788 -31.793 -4.254 1.00 0.00 N ATOM 617 CA ALA A 39 -0.463 -31.425 -3.591 1.00 0.00 C ATOM 618 C ALA A 39 -1.584 -31.225 -4.632 1.00 0.00 C ATOM 619 O ALA A 39 -2.654 -31.826 -4.484 1.00 0.00 O ATOM 620 CB ALA A 39 -0.263 -30.182 -2.704 1.00 0.00 C ATOM 0 H ALA A 39 1.540 -31.111 -4.149 1.00 0.00 H new ATOM 0 HA ALA A 39 -0.770 -32.239 -2.935 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -1.205 -29.925 -2.220 1.00 0.00 H new ATOM 0 HB2 ALA A 39 0.489 -30.394 -1.944 1.00 0.00 H new ATOM 0 HB3 ALA A 39 0.069 -29.346 -3.319 1.00 0.00 H new ATOM 626 N ARG A 40 -1.322 -30.472 -5.715 1.00 0.00 N ATOM 627 CA ARG A 40 -2.278 -30.300 -6.826 1.00 0.00 C ATOM 628 C ARG A 40 -2.556 -31.591 -7.646 1.00 0.00 C ATOM 629 O ARG A 40 -3.720 -31.870 -7.942 1.00 0.00 O ATOM 630 CB ARG A 40 -1.795 -29.160 -7.761 1.00 0.00 C ATOM 631 CG ARG A 40 -1.583 -27.814 -7.032 1.00 0.00 C ATOM 632 CD ARG A 40 -0.973 -26.754 -7.951 1.00 0.00 C ATOM 633 NE ARG A 40 -0.584 -25.617 -7.117 1.00 0.00 N ATOM 634 CZ ARG A 40 -1.263 -24.530 -6.894 1.00 0.00 C ATOM 635 NH1 ARG A 40 -2.420 -24.264 -7.373 1.00 0.00 N ATOM 636 NH2 ARG A 40 -0.702 -23.685 -6.128 1.00 0.00 N ATOM 0 H ARG A 40 -0.446 -29.967 -5.846 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.231 -30.041 -6.365 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -0.859 -29.460 -8.233 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -2.525 -29.021 -8.559 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -2.538 -27.455 -6.649 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -0.931 -27.966 -6.172 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -0.108 -27.156 -8.478 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -1.692 -26.445 -8.709 1.00 0.00 H new ATOM 0 HE ARG A 40 0.324 -25.684 -6.657 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -2.885 -24.934 -7.986 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -2.877 -23.382 -7.142 1.00 0.00 H new ATOM 0 HH21 ARG A 40 0.218 -23.884 -5.736 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -1.172 -22.808 -5.906 1.00 0.00 H new ATOM 650 N ILE A 41 -1.552 -32.378 -8.082 1.00 0.00 N ATOM 651 CA ILE A 41 -1.735 -33.725 -8.648 1.00 0.00 C ATOM 652 C ILE A 41 -2.243 -34.741 -7.609 1.00 0.00 C ATOM 653 O ILE A 41 -1.555 -35.369 -6.803 1.00 0.00 O ATOM 654 CB ILE A 41 -0.527 -34.282 -9.462 1.00 0.00 C ATOM 655 CG1 ILE A 41 -0.182 -33.385 -10.666 1.00 0.00 C ATOM 656 CG2 ILE A 41 -0.785 -35.661 -10.020 1.00 0.00 C ATOM 657 CD1 ILE A 41 1.073 -32.646 -10.315 1.00 0.00 C ATOM 0 H ILE A 41 -0.575 -32.088 -8.049 1.00 0.00 H new ATOM 0 HA ILE A 41 -2.521 -33.584 -9.390 1.00 0.00 H new ATOM 0 HB ILE A 41 0.294 -34.312 -8.746 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.038 -33.984 -11.565 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -0.994 -32.689 -10.874 1.00 0.00 H new ATOM 0 HG21 ILE A 41 0.089 -35.998 -10.577 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -0.983 -36.353 -9.202 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -1.648 -35.629 -10.685 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.356 -31.996 -11.143 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.903 -32.044 -9.422 1.00 0.00 H new ATOM 0 HD13 ILE A 41 1.874 -33.360 -10.124 1.00 0.00 H new ATOM 669 N LYS A 42 -3.562 -34.746 -7.617 1.00 0.00 N ATOM 670 CA LYS A 42 -4.394 -35.646 -6.820 1.00 0.00 C ATOM 671 C LYS A 42 -5.314 -36.533 -7.695 1.00 0.00 C ATOM 672 O LYS A 42 -6.513 -36.671 -7.444 1.00 0.00 O ATOM 673 CB LYS A 42 -5.154 -34.801 -5.755 1.00 0.00 C ATOM 674 CG LYS A 42 -5.246 -35.496 -4.366 1.00 0.00 C ATOM 675 CD LYS A 42 -4.384 -34.860 -3.234 1.00 0.00 C ATOM 676 CE LYS A 42 -2.867 -35.151 -3.196 1.00 0.00 C ATOM 677 NZ LYS A 42 -2.184 -34.437 -4.268 1.00 0.00 N ATOM 0 H LYS A 42 -4.107 -34.106 -8.194 1.00 0.00 H new ATOM 0 HA LYS A 42 -3.764 -36.365 -6.296 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -4.653 -33.840 -5.640 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -6.161 -34.594 -6.117 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -6.289 -35.495 -4.048 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -4.949 -36.538 -4.481 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -4.511 -33.779 -3.292 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -4.805 -35.180 -2.281 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -2.457 -34.850 -2.232 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -2.693 -36.222 -3.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -1.225 -34.179 -3.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -2.124 -35.047 -5.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -2.715 -33.574 -4.504 1.00 0.00 H new ATOM 691 N ILE A 43 -4.750 -37.126 -8.759 1.00 0.00 N ATOM 692 CA ILE A 43 -5.471 -38.046 -9.656 1.00 0.00 C ATOM 693 C ILE A 43 -5.817 -39.381 -8.957 1.00 0.00 C ATOM 694 O ILE A 43 -6.923 -39.903 -9.115 1.00 0.00 O ATOM 695 CB ILE A 43 -4.659 -38.238 -10.990 1.00 0.00 C ATOM 696 CG1 ILE A 43 -4.520 -36.877 -11.740 1.00 0.00 C ATOM 697 CG2 ILE A 43 -5.315 -39.286 -11.935 1.00 0.00 C ATOM 698 CD1 ILE A 43 -3.485 -36.873 -12.890 1.00 0.00 C ATOM 0 H ILE A 43 -3.776 -36.981 -9.024 1.00 0.00 H new ATOM 0 HA ILE A 43 -6.432 -37.602 -9.918 1.00 0.00 H new ATOM 0 HB ILE A 43 -3.673 -38.611 -10.711 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -5.493 -36.600 -12.145 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -4.244 -36.107 -11.019 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -4.718 -39.383 -12.842 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -5.366 -40.250 -11.429 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -6.322 -38.960 -12.197 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -3.458 -35.886 -13.352 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -2.499 -37.115 -12.493 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -3.768 -37.615 -13.636 1.00 0.00 H new ATOM 710 N GLY A 44 -4.889 -39.929 -8.161 1.00 0.00 N ATOM 711 CA GLY A 44 -5.141 -41.129 -7.353 1.00 0.00 C ATOM 712 C GLY A 44 -4.037 -41.436 -6.318 1.00 0.00 C ATOM 713 O GLY A 44 -2.913 -40.968 -6.528 1.00 0.00 O ATOM 0 H GLY A 44 -3.946 -39.554 -8.059 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -6.090 -41.009 -6.831 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -5.249 -41.986 -8.018 1.00 0.00 H new ATOM 717 N PRO A 45 -4.264 -42.201 -5.218 1.00 0.00 N ATOM 718 CA PRO A 45 -3.232 -42.600 -4.232 1.00 0.00 C ATOM 719 C PRO A 45 -1.960 -43.248 -4.818 1.00 0.00 C ATOM 720 O PRO A 45 -0.837 -42.896 -4.447 1.00 0.00 O ATOM 721 CB PRO A 45 -3.978 -43.590 -3.321 1.00 0.00 C ATOM 722 CG PRO A 45 -5.381 -43.029 -3.322 1.00 0.00 C ATOM 723 CD PRO A 45 -5.589 -42.670 -4.791 1.00 0.00 C ATOM 0 HA PRO A 45 -2.836 -41.718 -3.729 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -3.946 -44.607 -3.712 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -3.552 -43.621 -2.318 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -6.111 -43.760 -2.975 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -5.470 -42.157 -2.674 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -5.917 -43.532 -5.373 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -6.347 -41.896 -4.912 1.00 0.00 H new ATOM 731 N LYS A 46 -2.162 -44.177 -5.764 1.00 0.00 N ATOM 732 CA LYS A 46 -1.094 -44.846 -6.510 1.00 0.00 C ATOM 733 C LYS A 46 -0.314 -43.866 -7.424 1.00 0.00 C ATOM 734 O LYS A 46 0.903 -44.004 -7.591 1.00 0.00 O ATOM 735 CB LYS A 46 -1.758 -46.011 -7.300 1.00 0.00 C ATOM 736 CG LYS A 46 -0.771 -47.092 -7.794 1.00 0.00 C ATOM 737 CD LYS A 46 -1.483 -48.190 -8.623 1.00 0.00 C ATOM 738 CE LYS A 46 -0.584 -49.338 -9.128 1.00 0.00 C ATOM 739 NZ LYS A 46 0.513 -48.804 -9.931 1.00 0.00 N ATOM 0 H LYS A 46 -3.095 -44.489 -6.035 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.339 -45.240 -5.830 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.507 -46.484 -6.665 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -2.284 -45.597 -8.160 1.00 0.00 H new ATOM 0 HG2 LYS A 46 0.005 -46.625 -8.401 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -0.274 -47.548 -6.938 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -2.280 -48.618 -8.015 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -1.957 -47.719 -9.484 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -0.186 -49.897 -8.281 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -1.173 -50.036 -9.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 0.835 -49.528 -10.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 0.185 -47.967 -10.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 1.301 -48.536 -9.308 1.00 0.00 H new ATOM 753 N CYS A 47 -1.010 -42.843 -7.960 1.00 0.00 N ATOM 754 CA CYS A 47 -0.415 -41.765 -8.757 1.00 0.00 C ATOM 755 C CYS A 47 0.487 -40.871 -7.891 1.00 0.00 C ATOM 756 O CYS A 47 1.655 -40.712 -8.249 1.00 0.00 O ATOM 757 CB CYS A 47 -1.512 -40.902 -9.464 1.00 0.00 C ATOM 758 SG CYS A 47 -1.409 -40.822 -11.273 1.00 0.00 S ATOM 0 H CYS A 47 -2.019 -42.746 -7.846 1.00 0.00 H new ATOM 0 HA CYS A 47 0.197 -42.234 -9.528 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -2.490 -41.298 -9.192 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -1.458 -39.887 -9.071 1.00 0.00 H new ATOM 763 N VAL A 48 -0.008 -40.282 -6.780 1.00 0.00 N ATOM 764 CA VAL A 48 0.849 -39.577 -5.816 1.00 0.00 C ATOM 765 C VAL A 48 2.026 -40.403 -5.271 1.00 0.00 C ATOM 766 O VAL A 48 3.105 -39.838 -5.104 1.00 0.00 O ATOM 767 CB VAL A 48 0.105 -38.903 -4.613 1.00 0.00 C ATOM 768 CG1 VAL A 48 0.348 -37.405 -4.667 1.00 0.00 C ATOM 769 CG2 VAL A 48 -1.406 -39.095 -4.550 1.00 0.00 C ATOM 0 H VAL A 48 -0.998 -40.284 -6.533 1.00 0.00 H new ATOM 0 HA VAL A 48 1.245 -38.782 -6.448 1.00 0.00 H new ATOM 0 HB VAL A 48 0.516 -39.399 -3.734 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -0.165 -36.923 -3.835 1.00 0.00 H new ATOM 0 HG12 VAL A 48 1.418 -37.207 -4.598 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -0.034 -37.008 -5.607 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -1.802 -38.582 -3.674 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -1.863 -38.683 -5.450 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -1.635 -40.158 -4.482 1.00 0.00 H new ATOM 779 N LYS A 49 1.845 -41.702 -4.978 1.00 0.00 N ATOM 780 CA LYS A 49 2.955 -42.607 -4.630 1.00 0.00 C ATOM 781 C LYS A 49 4.056 -42.660 -5.719 1.00 0.00 C ATOM 782 O LYS A 49 5.202 -42.302 -5.423 1.00 0.00 O ATOM 783 CB LYS A 49 2.391 -44.020 -4.338 1.00 0.00 C ATOM 784 CG LYS A 49 3.441 -45.015 -3.785 1.00 0.00 C ATOM 785 CD LYS A 49 2.921 -46.457 -3.884 1.00 0.00 C ATOM 786 CE LYS A 49 4.011 -47.469 -3.539 1.00 0.00 C ATOM 787 NZ LYS A 49 3.588 -48.751 -4.090 1.00 0.00 N ATOM 0 H LYS A 49 0.930 -42.153 -4.975 1.00 0.00 H new ATOM 0 HA LYS A 49 3.439 -42.212 -3.737 1.00 0.00 H new ATOM 0 HB2 LYS A 49 1.575 -43.933 -3.621 1.00 0.00 H new ATOM 0 HB3 LYS A 49 1.967 -44.428 -5.256 1.00 0.00 H new ATOM 0 HG2 LYS A 49 4.372 -44.919 -4.344 1.00 0.00 H new ATOM 0 HG3 LYS A 49 3.667 -44.774 -2.746 1.00 0.00 H new ATOM 0 HD2 LYS A 49 2.075 -46.587 -3.209 1.00 0.00 H new ATOM 0 HD3 LYS A 49 2.555 -46.645 -4.893 1.00 0.00 H new ATOM 0 HE2 LYS A 49 4.969 -47.164 -3.961 1.00 0.00 H new ATOM 0 HE3 LYS A 49 4.146 -47.538 -2.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 4.335 -49.458 -3.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 2.715 -49.061 -3.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 3.412 -48.649 -5.110 1.00 0.00 H new ATOM 801 N ALA A 50 3.708 -43.051 -6.964 1.00 0.00 N ATOM 802 CA ALA A 50 4.607 -43.022 -8.132 1.00 0.00 C ATOM 803 C ALA A 50 5.282 -41.640 -8.299 1.00 0.00 C ATOM 804 O ALA A 50 6.516 -41.544 -8.346 1.00 0.00 O ATOM 805 CB ALA A 50 3.744 -43.385 -9.366 1.00 0.00 C ATOM 0 H ALA A 50 2.776 -43.402 -7.187 1.00 0.00 H new ATOM 0 HA ALA A 50 5.422 -43.735 -8.007 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.367 -43.377 -10.261 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.316 -44.378 -9.231 1.00 0.00 H new ATOM 0 HB3 ALA A 50 2.942 -42.656 -9.476 1.00 0.00 H new ATOM 811 N PHE A 51 4.449 -40.579 -8.269 1.00 0.00 N ATOM 812 CA PHE A 51 4.887 -39.183 -8.328 1.00 0.00 C ATOM 813 C PHE A 51 5.910 -38.865 -7.229 1.00 0.00 C ATOM 814 O PHE A 51 6.997 -38.415 -7.579 1.00 0.00 O ATOM 815 CB PHE A 51 3.651 -38.246 -8.179 1.00 0.00 C ATOM 816 CG PHE A 51 3.870 -36.844 -8.767 1.00 0.00 C ATOM 817 CD1 PHE A 51 4.851 -35.974 -8.312 1.00 0.00 C ATOM 818 CD2 PHE A 51 3.115 -36.418 -9.842 1.00 0.00 C ATOM 819 CE1 PHE A 51 5.085 -34.759 -8.925 1.00 0.00 C ATOM 820 CE2 PHE A 51 3.336 -35.216 -10.451 1.00 0.00 C ATOM 821 CZ PHE A 51 4.332 -34.379 -10.008 1.00 0.00 C ATOM 0 H PHE A 51 3.436 -40.678 -8.202 1.00 0.00 H new ATOM 0 HA PHE A 51 5.369 -39.019 -9.292 1.00 0.00 H new ATOM 0 HB2 PHE A 51 2.794 -38.707 -8.670 1.00 0.00 H new ATOM 0 HB3 PHE A 51 3.401 -38.153 -7.122 1.00 0.00 H new ATOM 0 HD1 PHE A 51 5.447 -36.255 -7.456 1.00 0.00 H new ATOM 0 HD2 PHE A 51 2.326 -37.055 -10.212 1.00 0.00 H new ATOM 0 HE1 PHE A 51 5.861 -34.107 -8.552 1.00 0.00 H new ATOM 0 HE2 PHE A 51 2.722 -34.920 -11.289 1.00 0.00 H new ATOM 0 HZ PHE A 51 4.519 -33.438 -10.504 1.00 0.00 H new ATOM 831 N LYS A 52 5.606 -39.093 -5.940 1.00 0.00 N ATOM 832 CA LYS A 52 6.526 -38.816 -4.836 1.00 0.00 C ATOM 833 C LYS A 52 7.850 -39.595 -4.919 1.00 0.00 C ATOM 834 O LYS A 52 8.891 -38.984 -4.683 1.00 0.00 O ATOM 835 CB LYS A 52 5.830 -39.041 -3.466 1.00 0.00 C ATOM 836 CG LYS A 52 4.994 -37.815 -3.006 1.00 0.00 C ATOM 837 CD LYS A 52 5.680 -36.987 -1.891 1.00 0.00 C ATOM 838 CE LYS A 52 5.462 -37.592 -0.499 1.00 0.00 C ATOM 839 NZ LYS A 52 6.195 -36.803 0.489 1.00 0.00 N ATOM 0 H LYS A 52 4.710 -39.476 -5.639 1.00 0.00 H new ATOM 0 HA LYS A 52 6.796 -37.764 -4.928 1.00 0.00 H new ATOM 0 HB2 LYS A 52 5.180 -39.913 -3.533 1.00 0.00 H new ATOM 0 HB3 LYS A 52 6.585 -39.263 -2.712 1.00 0.00 H new ATOM 0 HG2 LYS A 52 4.806 -37.170 -3.864 1.00 0.00 H new ATOM 0 HG3 LYS A 52 4.024 -38.160 -2.648 1.00 0.00 H new ATOM 0 HD2 LYS A 52 6.749 -36.924 -2.094 1.00 0.00 H new ATOM 0 HD3 LYS A 52 5.292 -35.969 -1.907 1.00 0.00 H new ATOM 0 HE2 LYS A 52 4.399 -37.603 -0.257 1.00 0.00 H new ATOM 0 HE3 LYS A 52 5.804 -38.627 -0.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 5.957 -37.136 1.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 7.217 -36.910 0.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 5.934 -35.801 0.396 1.00 0.00 H new ATOM 853 N ASP A 53 7.868 -40.890 -5.288 1.00 0.00 N ATOM 854 CA ASP A 53 9.126 -41.642 -5.438 1.00 0.00 C ATOM 855 C ASP A 53 10.047 -41.066 -6.544 1.00 0.00 C ATOM 856 O ASP A 53 11.242 -40.797 -6.326 1.00 0.00 O ATOM 857 CB ASP A 53 8.812 -43.142 -5.691 1.00 0.00 C ATOM 858 CG ASP A 53 8.017 -43.801 -4.564 1.00 0.00 C ATOM 859 OD1 ASP A 53 8.345 -43.622 -3.385 1.00 0.00 O ATOM 860 OD2 ASP A 53 7.096 -44.549 -4.875 1.00 0.00 O ATOM 0 H ASP A 53 7.029 -41.434 -5.487 1.00 0.00 H new ATOM 0 HA ASP A 53 9.682 -41.541 -4.506 1.00 0.00 H new ATOM 0 HB2 ASP A 53 8.252 -43.235 -6.622 1.00 0.00 H new ATOM 0 HB3 ASP A 53 9.749 -43.682 -5.827 1.00 0.00 H new ATOM 865 N CYS A 54 9.465 -40.850 -7.735 1.00 0.00 N ATOM 866 CA CYS A 54 10.153 -40.129 -8.808 1.00 0.00 C ATOM 867 C CYS A 54 10.496 -38.649 -8.478 1.00 0.00 C ATOM 868 O CYS A 54 11.567 -38.182 -8.869 1.00 0.00 O ATOM 869 CB CYS A 54 9.347 -40.270 -10.107 1.00 0.00 C ATOM 870 SG CYS A 54 9.561 -41.804 -11.063 1.00 0.00 S ATOM 0 H CYS A 54 8.525 -41.164 -7.974 1.00 0.00 H new ATOM 0 HA CYS A 54 11.131 -40.594 -8.933 1.00 0.00 H new ATOM 0 HB2 CYS A 54 8.290 -40.172 -9.860 1.00 0.00 H new ATOM 0 HB3 CYS A 54 9.602 -39.431 -10.755 1.00 0.00 H new ATOM 875 N CYS A 55 9.644 -37.887 -7.772 1.00 0.00 N ATOM 876 CA CYS A 55 9.971 -36.561 -7.215 1.00 0.00 C ATOM 877 C CYS A 55 11.143 -36.595 -6.214 1.00 0.00 C ATOM 878 O CYS A 55 11.998 -35.704 -6.266 1.00 0.00 O ATOM 879 CB CYS A 55 8.669 -35.926 -6.642 1.00 0.00 C ATOM 880 SG CYS A 55 8.728 -34.578 -5.426 1.00 0.00 S ATOM 0 H CYS A 55 8.689 -38.180 -7.568 1.00 0.00 H new ATOM 0 HA CYS A 55 10.342 -35.919 -8.014 1.00 0.00 H new ATOM 0 HB2 CYS A 55 8.093 -35.561 -7.493 1.00 0.00 H new ATOM 0 HB3 CYS A 55 8.094 -36.735 -6.191 1.00 0.00 H new ATOM 885 N TYR A 56 11.237 -37.602 -5.328 1.00 0.00 N ATOM 886 CA TYR A 56 12.440 -37.809 -4.518 1.00 0.00 C ATOM 887 C TYR A 56 13.700 -38.122 -5.343 1.00 0.00 C ATOM 888 O TYR A 56 14.741 -37.569 -4.968 1.00 0.00 O ATOM 889 CB TYR A 56 12.234 -38.835 -3.371 1.00 0.00 C ATOM 890 CG TYR A 56 11.315 -38.286 -2.263 1.00 0.00 C ATOM 891 CD1 TYR A 56 11.577 -37.090 -1.609 1.00 0.00 C ATOM 892 CD2 TYR A 56 10.160 -38.956 -1.899 1.00 0.00 C ATOM 893 CE1 TYR A 56 10.720 -36.579 -0.655 1.00 0.00 C ATOM 894 CE2 TYR A 56 9.299 -38.457 -0.945 1.00 0.00 C ATOM 895 CZ TYR A 56 9.575 -37.264 -0.330 1.00 0.00 C ATOM 896 OH TYR A 56 8.696 -36.760 0.577 1.00 0.00 O ATOM 0 H TYR A 56 10.495 -38.281 -5.158 1.00 0.00 H new ATOM 0 HA TYR A 56 12.620 -36.842 -4.049 1.00 0.00 H new ATOM 0 HB2 TYR A 56 11.805 -39.751 -3.777 1.00 0.00 H new ATOM 0 HB3 TYR A 56 13.201 -39.099 -2.942 1.00 0.00 H new ATOM 0 HD1 TYR A 56 12.476 -36.544 -1.853 1.00 0.00 H new ATOM 0 HD2 TYR A 56 9.927 -39.896 -2.376 1.00 0.00 H new ATOM 0 HE1 TYR A 56 10.949 -35.644 -0.166 1.00 0.00 H new ATOM 0 HE2 TYR A 56 8.407 -39.006 -0.682 1.00 0.00 H new ATOM 0 HH TYR A 56 8.728 -35.781 0.554 1.00 0.00 H new ATOM 906 N ILE A 57 13.722 -38.933 -6.428 1.00 0.00 N ATOM 907 CA ILE A 57 14.939 -38.962 -7.268 1.00 0.00 C ATOM 908 C ILE A 57 15.192 -37.672 -8.082 1.00 0.00 C ATOM 909 O ILE A 57 16.358 -37.326 -8.286 1.00 0.00 O ATOM 910 CB ILE A 57 15.248 -40.284 -8.045 1.00 0.00 C ATOM 911 CG1 ILE A 57 14.184 -40.853 -9.002 1.00 0.00 C ATOM 912 CG2 ILE A 57 15.650 -41.397 -7.049 1.00 0.00 C ATOM 913 CD1 ILE A 57 13.829 -39.989 -10.212 1.00 0.00 C ATOM 0 H ILE A 57 12.960 -39.541 -6.728 1.00 0.00 H new ATOM 0 HA ILE A 57 15.715 -38.977 -6.503 1.00 0.00 H new ATOM 0 HB ILE A 57 16.053 -39.972 -8.710 1.00 0.00 H new ATOM 0 HG12 ILE A 57 14.531 -41.821 -9.363 1.00 0.00 H new ATOM 0 HG13 ILE A 57 13.273 -41.034 -8.432 1.00 0.00 H new ATOM 0 HG21 ILE A 57 15.864 -42.315 -7.596 1.00 0.00 H new ATOM 0 HG22 ILE A 57 16.538 -41.088 -6.497 1.00 0.00 H new ATOM 0 HG23 ILE A 57 14.832 -41.573 -6.351 1.00 0.00 H new ATOM 0 HD11 ILE A 57 13.071 -40.494 -10.810 1.00 0.00 H new ATOM 0 HD12 ILE A 57 13.442 -39.028 -9.872 1.00 0.00 H new ATOM 0 HD13 ILE A 57 14.721 -39.828 -10.818 1.00 0.00 H new ATOM 925 N ALA A 58 14.157 -36.936 -8.528 1.00 0.00 N ATOM 926 CA ALA A 58 14.304 -35.595 -9.113 1.00 0.00 C ATOM 927 C ALA A 58 14.921 -34.575 -8.127 1.00 0.00 C ATOM 928 O ALA A 58 15.754 -33.751 -8.518 1.00 0.00 O ATOM 929 CB ALA A 58 12.931 -35.113 -9.593 1.00 0.00 C ATOM 0 H ALA A 58 13.190 -37.259 -8.491 1.00 0.00 H new ATOM 0 HA ALA A 58 14.997 -35.667 -9.951 1.00 0.00 H new ATOM 0 HB1 ALA A 58 13.027 -34.119 -10.029 1.00 0.00 H new ATOM 0 HB2 ALA A 58 12.545 -35.803 -10.343 1.00 0.00 H new ATOM 0 HB3 ALA A 58 12.243 -35.074 -8.748 1.00 0.00 H new ATOM 935 N ASN A 59 14.512 -34.629 -6.847 1.00 0.00 N ATOM 936 CA ASN A 59 15.145 -33.872 -5.763 1.00 0.00 C ATOM 937 C ASN A 59 16.613 -34.280 -5.522 1.00 0.00 C ATOM 938 O ASN A 59 17.449 -33.402 -5.296 1.00 0.00 O ATOM 939 CB ASN A 59 14.306 -34.037 -4.468 1.00 0.00 C ATOM 940 CG ASN A 59 14.519 -32.851 -3.528 1.00 0.00 C ATOM 941 OD1 ASN A 59 13.847 -31.830 -3.648 1.00 0.00 O ATOM 942 ND2 ASN A 59 15.434 -32.912 -2.581 1.00 0.00 N ATOM 0 H ASN A 59 13.728 -35.204 -6.538 1.00 0.00 H new ATOM 0 HA ASN A 59 15.170 -32.824 -6.060 1.00 0.00 H new ATOM 0 HB2 ASN A 59 13.249 -34.120 -4.722 1.00 0.00 H new ATOM 0 HB3 ASN A 59 14.586 -34.962 -3.963 1.00 0.00 H new ATOM 0 HD21 ASN A 59 15.577 -32.117 -1.958 1.00 0.00 H new ATOM 0 HD22 ASN A 59 15.999 -33.754 -2.471 1.00 0.00 H new ATOM 949 N GLN A 60 16.943 -35.583 -5.554 1.00 0.00 N ATOM 950 CA GLN A 60 18.337 -36.043 -5.528 1.00 0.00 C ATOM 951 C GLN A 60 19.158 -35.575 -6.745 1.00 0.00 C ATOM 952 O GLN A 60 20.314 -35.201 -6.555 1.00 0.00 O ATOM 953 CB GLN A 60 18.436 -37.583 -5.374 1.00 0.00 C ATOM 954 CG GLN A 60 17.872 -38.151 -4.039 1.00 0.00 C ATOM 955 CD GLN A 60 18.541 -37.569 -2.790 1.00 0.00 C ATOM 956 OE1 GLN A 60 17.865 -37.120 -1.873 1.00 0.00 O ATOM 957 NE2 GLN A 60 19.853 -37.535 -2.650 1.00 0.00 N ATOM 0 H GLN A 60 16.258 -36.337 -5.598 1.00 0.00 H new ATOM 0 HA GLN A 60 18.776 -35.575 -4.647 1.00 0.00 H new ATOM 0 HB2 GLN A 60 17.904 -38.050 -6.203 1.00 0.00 H new ATOM 0 HB3 GLN A 60 19.483 -37.875 -5.462 1.00 0.00 H new ATOM 0 HG2 GLN A 60 16.801 -37.951 -3.993 1.00 0.00 H new ATOM 0 HG3 GLN A 60 17.995 -39.234 -4.035 1.00 0.00 H new ATOM 0 HE21 GLN A 60 20.454 -37.898 -3.389 1.00 0.00 H new ATOM 0 HE22 GLN A 60 20.266 -37.145 -1.802 1.00 0.00 H new ATOM 966 N VAL A 61 18.608 -35.568 -7.972 1.00 0.00 N ATOM 967 CA VAL A 61 19.255 -34.944 -9.141 1.00 0.00 C ATOM 968 C VAL A 61 19.502 -33.431 -8.941 1.00 0.00 C ATOM 969 O VAL A 61 20.600 -32.959 -9.252 1.00 0.00 O ATOM 970 CB VAL A 61 18.449 -35.246 -10.451 1.00 0.00 C ATOM 971 CG1 VAL A 61 18.994 -34.547 -11.718 1.00 0.00 C ATOM 972 CG2 VAL A 61 18.432 -36.758 -10.761 1.00 0.00 C ATOM 0 H VAL A 61 17.705 -35.993 -8.182 1.00 0.00 H new ATOM 0 HA VAL A 61 20.241 -35.395 -9.248 1.00 0.00 H new ATOM 0 HB VAL A 61 17.454 -34.857 -10.236 1.00 0.00 H new ATOM 0 HG11 VAL A 61 18.375 -34.813 -12.575 1.00 0.00 H new ATOM 0 HG12 VAL A 61 18.972 -33.467 -11.576 1.00 0.00 H new ATOM 0 HG13 VAL A 61 20.020 -34.868 -11.898 1.00 0.00 H new ATOM 0 HG21 VAL A 61 17.866 -36.936 -11.675 1.00 0.00 H new ATOM 0 HG22 VAL A 61 19.454 -37.114 -10.892 1.00 0.00 H new ATOM 0 HG23 VAL A 61 17.965 -37.294 -9.935 1.00 0.00 H new ATOM 982 N ARG A 62 18.532 -32.653 -8.428 1.00 0.00 N ATOM 983 CA ARG A 62 18.762 -31.252 -8.044 1.00 0.00 C ATOM 984 C ARG A 62 19.764 -31.051 -6.887 1.00 0.00 C ATOM 985 O ARG A 62 20.495 -30.059 -6.904 1.00 0.00 O ATOM 986 CB ARG A 62 17.428 -30.514 -7.757 1.00 0.00 C ATOM 987 CG ARG A 62 16.701 -30.137 -9.064 1.00 0.00 C ATOM 988 CD ARG A 62 15.497 -29.218 -8.841 1.00 0.00 C ATOM 989 NE ARG A 62 15.037 -28.830 -10.172 1.00 0.00 N ATOM 990 CZ ARG A 62 14.005 -28.091 -10.462 1.00 0.00 C ATOM 991 NH1 ARG A 62 13.155 -27.656 -9.607 1.00 0.00 N ATOM 992 NH2 ARG A 62 13.824 -27.834 -11.695 1.00 0.00 N ATOM 0 H ARG A 62 17.577 -32.975 -8.270 1.00 0.00 H new ATOM 0 HA ARG A 62 19.238 -30.803 -8.916 1.00 0.00 H new ATOM 0 HB2 ARG A 62 16.783 -31.149 -7.150 1.00 0.00 H new ATOM 0 HB3 ARG A 62 17.626 -29.613 -7.176 1.00 0.00 H new ATOM 0 HG2 ARG A 62 17.405 -29.646 -9.735 1.00 0.00 H new ATOM 0 HG3 ARG A 62 16.368 -31.047 -9.562 1.00 0.00 H new ATOM 0 HD2 ARG A 62 14.710 -29.733 -8.290 1.00 0.00 H new ATOM 0 HD3 ARG A 62 15.777 -28.343 -8.254 1.00 0.00 H new ATOM 0 HE ARG A 62 15.584 -29.176 -10.960 1.00 0.00 H new ATOM 0 HH11 ARG A 62 13.263 -27.885 -8.619 1.00 0.00 H new ATOM 0 HH12 ARG A 62 12.371 -27.081 -9.915 1.00 0.00 H new ATOM 0 HH21 ARG A 62 14.470 -28.202 -12.393 1.00 0.00 H new ATOM 0 HH22 ARG A 62 13.033 -27.260 -11.985 1.00 0.00 H new ATOM 1006 N ALA A 63 19.815 -31.933 -5.876 1.00 0.00 N ATOM 1007 CA ALA A 63 20.859 -31.896 -4.846 1.00 0.00 C ATOM 1008 C ALA A 63 22.243 -32.386 -5.330 1.00 0.00 C ATOM 1009 O ALA A 63 23.229 -31.657 -5.191 1.00 0.00 O ATOM 1010 CB ALA A 63 20.379 -32.705 -3.624 1.00 0.00 C ATOM 0 H ALA A 63 19.138 -32.686 -5.752 1.00 0.00 H new ATOM 0 HA ALA A 63 21.013 -30.851 -4.577 1.00 0.00 H new ATOM 0 HB1 ALA A 63 21.147 -32.685 -2.850 1.00 0.00 H new ATOM 0 HB2 ALA A 63 19.460 -32.266 -3.235 1.00 0.00 H new ATOM 0 HB3 ALA A 63 20.190 -33.736 -3.922 1.00 0.00 H new ATOM 1016 N GLU A 64 22.364 -33.586 -5.920 1.00 0.00 N ATOM 1017 CA GLU A 64 23.654 -34.167 -6.314 1.00 0.00 C ATOM 1018 C GLU A 64 24.173 -33.630 -7.670 1.00 0.00 C ATOM 1019 O GLU A 64 24.246 -34.320 -8.689 1.00 0.00 O ATOM 1020 CB GLU A 64 23.530 -35.715 -6.290 1.00 0.00 C ATOM 1021 CG GLU A 64 23.301 -36.269 -4.848 1.00 0.00 C ATOM 1022 CD GLU A 64 22.940 -37.755 -4.831 1.00 0.00 C ATOM 1023 OE1 GLU A 64 23.813 -38.584 -5.073 1.00 0.00 O ATOM 1024 OE2 GLU A 64 21.783 -38.063 -4.540 1.00 0.00 O ATOM 0 H GLU A 64 21.565 -34.182 -6.137 1.00 0.00 H new ATOM 0 HA GLU A 64 24.412 -33.858 -5.594 1.00 0.00 H new ATOM 0 HB2 GLU A 64 22.702 -36.021 -6.930 1.00 0.00 H new ATOM 0 HB3 GLU A 64 24.435 -36.156 -6.707 1.00 0.00 H new ATOM 0 HG2 GLU A 64 24.203 -36.113 -4.257 1.00 0.00 H new ATOM 0 HG3 GLU A 64 22.504 -35.701 -4.369 1.00 0.00 H new ATOM 1031 N GLN A 65 24.519 -32.341 -7.667 1.00 0.00 N ATOM 1032 CA GLN A 65 25.160 -31.680 -8.806 1.00 0.00 C ATOM 1033 C GLN A 65 26.702 -31.633 -8.700 1.00 0.00 C ATOM 1034 O GLN A 65 27.359 -32.045 -9.655 1.00 0.00 O ATOM 1035 CB GLN A 65 24.569 -30.246 -8.964 1.00 0.00 C ATOM 1036 CG GLN A 65 23.070 -30.185 -9.390 1.00 0.00 C ATOM 1037 CD GLN A 65 22.854 -30.674 -10.826 1.00 0.00 C ATOM 1038 OE1 GLN A 65 23.371 -30.112 -11.783 1.00 0.00 O ATOM 1039 NE2 GLN A 65 22.093 -31.722 -11.066 1.00 0.00 N ATOM 0 H GLN A 65 24.362 -31.723 -6.871 1.00 0.00 H new ATOM 0 HA GLN A 65 24.945 -32.275 -9.694 1.00 0.00 H new ATOM 0 HB2 GLN A 65 24.682 -29.718 -8.017 1.00 0.00 H new ATOM 0 HB3 GLN A 65 25.162 -29.706 -9.703 1.00 0.00 H new ATOM 0 HG2 GLN A 65 22.476 -30.793 -8.708 1.00 0.00 H new ATOM 0 HG3 GLN A 65 22.710 -29.160 -9.299 1.00 0.00 H new ATOM 0 HE21 GLN A 65 21.646 -32.215 -10.293 1.00 0.00 H new ATOM 0 HE22 GLN A 65 21.951 -32.040 -12.025 1.00 0.00 H new ATOM 1048 N SER A 66 27.234 -31.188 -7.680 1.00 0.00 N TER 1049 SER A 66