USER MOD reduce.3.24.130724 H: found=0, std=0, add=282, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 281 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 23 ASN : amide:sc= 0.695 K(o=0.7,f=-12!) USER MOD Set 1.2: A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -126:sc= 0.118 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0371) USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 51:sc= 1.83 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 HIS : no HD1:sc= -1.42 K(o=-1.4,f=-0.67) USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=0.037) USER MOD Single : A 29 SER OG : rot 170:sc= 0.793 USER MOD Single : A 30 GLN : amide:sc= 0.376 K(o=0.38,f=-0.17) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.052 10.796 -5.685 1.00 1.00 N ATOM 2 CA GLY A 1 -8.311 10.706 -4.244 1.00 1.00 C ATOM 3 C GLY A 1 -8.140 9.274 -3.776 1.00 1.00 C ATOM 4 O GLY A 1 -7.587 8.452 -4.506 1.00 1.00 O ATOM 0 H1 GLY A 1 -7.330 11.523 -5.863 1.00 1.00 H new ATOM 0 H2 GLY A 1 -7.712 9.877 -6.035 1.00 1.00 H new ATOM 0 H3 GLY A 1 -8.930 11.052 -6.180 1.00 1.00 H new ATOM 0 HA2 GLY A 1 -7.627 11.359 -3.702 1.00 1.00 H new ATOM 0 HA3 GLY A 1 -9.322 11.051 -4.025 1.00 1.00 H new ATOM 10 N SER A 2 -8.591 8.962 -2.560 1.00 1.00 N ATOM 11 CA SER A 2 -8.522 7.622 -1.997 1.00 1.00 C ATOM 12 C SER A 2 -9.256 6.636 -2.911 1.00 1.00 C ATOM 13 O SER A 2 -10.448 6.818 -3.171 1.00 1.00 O ATOM 14 CB SER A 2 -9.173 7.625 -0.613 1.00 1.00 C ATOM 15 OG SER A 2 -8.684 8.678 0.200 1.00 1.00 O ATOM 0 H SER A 2 -9.019 9.645 -1.935 1.00 1.00 H new ATOM 0 HA SER A 2 -7.479 7.316 -1.911 1.00 1.00 H new ATOM 0 HB2 SER A 2 -10.253 7.721 -0.720 1.00 1.00 H new ATOM 0 HB3 SER A 2 -8.985 6.670 -0.122 1.00 1.00 H new ATOM 0 HG SER A 2 -9.125 8.648 1.075 1.00 1.00 H new ATOM 21 N LYS A 3 -8.557 5.603 -3.390 1.00 1.00 N ATOM 22 CA LYS A 3 -9.144 4.419 -4.018 1.00 1.00 C ATOM 23 C LYS A 3 -8.371 3.203 -3.520 1.00 1.00 C ATOM 24 O LYS A 3 -7.711 2.515 -4.307 1.00 1.00 O ATOM 25 CB LYS A 3 -9.147 4.529 -5.556 1.00 1.00 C ATOM 26 CG LYS A 3 -10.143 5.578 -6.079 1.00 1.00 C ATOM 27 CD LYS A 3 -10.781 5.197 -7.419 1.00 1.00 C ATOM 28 CE LYS A 3 -11.816 4.089 -7.195 1.00 1.00 C ATOM 29 NZ LYS A 3 -12.619 3.814 -8.397 1.00 1.00 N ATOM 0 H LYS A 3 -7.538 5.568 -3.350 1.00 1.00 H new ATOM 0 HA LYS A 3 -10.193 4.323 -3.738 1.00 1.00 H new ATOM 0 HB2 LYS A 3 -8.144 4.785 -5.899 1.00 1.00 H new ATOM 0 HB3 LYS A 3 -9.392 3.557 -5.984 1.00 1.00 H new ATOM 0 HG2 LYS A 3 -10.930 5.722 -5.338 1.00 1.00 H new ATOM 0 HG3 LYS A 3 -9.629 6.533 -6.188 1.00 1.00 H new ATOM 0 HD2 LYS A 3 -11.257 6.069 -7.868 1.00 1.00 H new ATOM 0 HD3 LYS A 3 -10.014 4.858 -8.116 1.00 1.00 H new ATOM 0 HE2 LYS A 3 -11.305 3.177 -6.887 1.00 1.00 H new ATOM 0 HE3 LYS A 3 -12.478 4.375 -6.378 1.00 1.00 H new ATOM 0 HZ1 LYS A 3 -13.303 3.058 -8.192 1.00 1.00 H new ATOM 0 HZ2 LYS A 3 -13.129 4.675 -8.678 1.00 1.00 H new ATOM 0 HZ3 LYS A 3 -11.993 3.514 -9.172 1.00 1.00 H new ATOM 43 N LEU A 4 -8.394 2.973 -2.206 1.00 1.00 N ATOM 44 CA LEU A 4 -7.739 1.837 -1.572 1.00 1.00 C ATOM 45 C LEU A 4 -8.727 1.187 -0.571 1.00 1.00 C ATOM 46 O LEU A 4 -9.199 1.883 0.334 1.00 1.00 O ATOM 47 CB LEU A 4 -6.440 2.231 -0.856 1.00 1.00 C ATOM 48 CG LEU A 4 -5.150 2.392 -1.686 1.00 1.00 C ATOM 49 CD1 LEU A 4 -5.044 3.811 -2.226 1.00 1.00 C ATOM 50 CD2 LEU A 4 -3.907 2.189 -0.815 1.00 1.00 C ATOM 0 H LEU A 4 -8.877 3.583 -1.546 1.00 1.00 H new ATOM 0 HA LEU A 4 -7.462 1.127 -2.351 1.00 1.00 H new ATOM 0 HB2 LEU A 4 -6.621 3.175 -0.342 1.00 1.00 H new ATOM 0 HB3 LEU A 4 -6.247 1.482 -0.089 1.00 1.00 H new ATOM 0 HG LEU A 4 -5.198 1.653 -2.486 1.00 1.00 H new ATOM 0 HD11 LEU A 4 -4.129 3.911 -2.810 1.00 1.00 H new ATOM 0 HD12 LEU A 4 -5.904 4.024 -2.860 1.00 1.00 H new ATOM 0 HD13 LEU A 4 -5.023 4.516 -1.395 1.00 1.00 H new ATOM 0 HD21 LEU A 4 -3.012 2.308 -1.425 1.00 1.00 H new ATOM 0 HD22 LEU A 4 -3.900 2.927 -0.013 1.00 1.00 H new ATOM 0 HD23 LEU A 4 -3.923 1.187 -0.386 1.00 1.00 H new ATOM 62 N PRO A 5 -9.033 -0.118 -0.714 1.00 1.00 N ATOM 63 CA PRO A 5 -9.959 -0.884 0.126 1.00 1.00 C ATOM 64 C PRO A 5 -9.418 -1.166 1.523 1.00 1.00 C ATOM 65 O PRO A 5 -8.210 -1.135 1.690 1.00 1.00 O ATOM 66 CB PRO A 5 -10.120 -2.247 -0.562 1.00 1.00 C ATOM 67 CG PRO A 5 -8.964 -2.369 -1.543 1.00 1.00 C ATOM 68 CD PRO A 5 -8.504 -0.937 -1.778 1.00 1.00 C ATOM 0 HA PRO A 5 -10.879 -0.310 0.235 1.00 1.00 H new ATOM 0 HB2 PRO A 5 -10.098 -3.056 0.168 1.00 1.00 H new ATOM 0 HB3 PRO A 5 -11.077 -2.311 -1.079 1.00 1.00 H new ATOM 0 HG2 PRO A 5 -8.160 -2.981 -1.134 1.00 1.00 H new ATOM 0 HG3 PRO A 5 -9.282 -2.841 -2.473 1.00 1.00 H new ATOM 0 HD2 PRO A 5 -7.415 -0.884 -1.794 1.00 1.00 H new ATOM 0 HD3 PRO A 5 -8.855 -0.578 -2.746 1.00 1.00 H new ATOM 76 N PRO A 6 -10.239 -1.618 2.483 1.00 1.00 N ATOM 77 CA PRO A 6 -9.731 -2.311 3.661 1.00 1.00 C ATOM 78 C PRO A 6 -9.069 -3.627 3.209 1.00 1.00 C ATOM 79 O PRO A 6 -9.757 -4.478 2.639 1.00 1.00 O ATOM 80 CB PRO A 6 -10.960 -2.538 4.549 1.00 1.00 C ATOM 81 CG PRO A 6 -12.141 -2.556 3.578 1.00 1.00 C ATOM 82 CD PRO A 6 -11.691 -1.699 2.400 1.00 1.00 C ATOM 0 HA PRO A 6 -8.972 -1.756 4.211 1.00 1.00 H new ATOM 0 HB2 PRO A 6 -10.884 -3.477 5.098 1.00 1.00 H new ATOM 0 HB3 PRO A 6 -11.067 -1.744 5.288 1.00 1.00 H new ATOM 0 HG2 PRO A 6 -12.377 -3.572 3.261 1.00 1.00 H new ATOM 0 HG3 PRO A 6 -13.040 -2.150 4.042 1.00 1.00 H new ATOM 0 HD2 PRO A 6 -12.002 -2.144 1.455 1.00 1.00 H new ATOM 0 HD3 PRO A 6 -12.139 -0.706 2.448 1.00 1.00 H new ATOM 90 N GLY A 7 -7.759 -3.806 3.423 1.00 1.00 N ATOM 91 CA GLY A 7 -7.068 -5.042 3.044 1.00 1.00 C ATOM 92 C GLY A 7 -5.609 -4.860 2.615 1.00 1.00 C ATOM 93 O GLY A 7 -5.199 -5.430 1.603 1.00 1.00 O ATOM 0 H GLY A 7 -7.156 -3.107 3.858 1.00 1.00 H new ATOM 0 HA2 GLY A 7 -7.100 -5.732 3.887 1.00 1.00 H new ATOM 0 HA3 GLY A 7 -7.616 -5.511 2.227 1.00 1.00 H new ATOM 97 N TRP A 8 -4.816 -4.059 3.334 1.00 1.00 N ATOM 98 CA TRP A 8 -3.457 -3.674 2.972 1.00 1.00 C ATOM 99 C TRP A 8 -2.560 -3.644 4.199 1.00 1.00 C ATOM 100 O TRP A 8 -3.045 -3.554 5.330 1.00 1.00 O ATOM 101 CB TRP A 8 -3.480 -2.243 2.438 1.00 1.00 C ATOM 102 CG TRP A 8 -4.268 -1.982 1.206 1.00 1.00 C ATOM 103 CD1 TRP A 8 -5.598 -2.138 1.071 1.00 1.00 C ATOM 104 CD2 TRP A 8 -3.801 -1.478 -0.073 1.00 1.00 C ATOM 105 NE1 TRP A 8 -5.972 -1.745 -0.175 1.00 1.00 N ATOM 106 CE2 TRP A 8 -4.910 -1.366 -0.949 1.00 1.00 C ATOM 107 CE3 TRP A 8 -2.562 -1.064 -0.581 1.00 1.00 C ATOM 108 CZ2 TRP A 8 -4.785 -0.932 -2.271 1.00 1.00 C ATOM 109 CZ3 TRP A 8 -2.407 -0.682 -1.924 1.00 1.00 C ATOM 110 CH2 TRP A 8 -3.515 -0.637 -2.782 1.00 1.00 C ATOM 0 H TRP A 8 -5.119 -3.648 4.217 1.00 1.00 H new ATOM 0 HA TRP A 8 -3.087 -4.392 2.240 1.00 1.00 H new ATOM 0 HB2 TRP A 8 -3.865 -1.596 3.226 1.00 1.00 H new ATOM 0 HB3 TRP A 8 -2.451 -1.938 2.250 1.00 1.00 H new ATOM 0 HD1 TRP A 8 -6.263 -2.516 1.833 1.00 1.00 H new ATOM 0 HE1 TRP A 8 -6.939 -1.734 -0.498 1.00 1.00 H new ATOM 0 HE3 TRP A 8 -1.705 -1.038 0.076 1.00 1.00 H new ATOM 0 HZ2 TRP A 8 -5.661 -0.825 -2.894 1.00 1.00 H new ATOM 0 HZ3 TRP A 8 -1.428 -0.421 -2.298 1.00 1.00 H new ATOM 0 HH2 TRP A 8 -3.391 -0.378 -3.823 1.00 1.00 H new ATOM 121 N GLU A 9 -1.255 -3.560 3.968 1.00 1.00 N ATOM 122 CA GLU A 9 -0.276 -3.102 4.935 1.00 1.00 C ATOM 123 C GLU A 9 0.576 -2.012 4.287 1.00 1.00 C ATOM 124 O GLU A 9 0.586 -1.835 3.065 1.00 1.00 O ATOM 125 CB GLU A 9 0.598 -4.272 5.386 1.00 1.00 C ATOM 126 CG GLU A 9 -0.149 -5.258 6.290 1.00 1.00 C ATOM 127 CD GLU A 9 0.836 -6.074 7.125 1.00 1.00 C ATOM 128 OE1 GLU A 9 1.897 -6.489 6.605 1.00 1.00 O ATOM 129 OE2 GLU A 9 0.621 -6.221 8.346 1.00 1.00 O ATOM 0 H GLU A 9 -0.840 -3.818 3.073 1.00 1.00 H new ATOM 0 HA GLU A 9 -0.778 -2.696 5.813 1.00 1.00 H new ATOM 0 HB2 GLU A 9 0.970 -4.801 4.509 1.00 1.00 H new ATOM 0 HB3 GLU A 9 1.468 -3.886 5.918 1.00 1.00 H new ATOM 0 HG2 GLU A 9 -0.828 -4.715 6.947 1.00 1.00 H new ATOM 0 HG3 GLU A 9 -0.760 -5.926 5.682 1.00 1.00 H new ATOM 136 N LYS A 10 1.318 -1.277 5.108 1.00 1.00 N ATOM 137 CA LYS A 10 2.238 -0.236 4.679 1.00 1.00 C ATOM 138 C LYS A 10 3.594 -0.919 4.498 1.00 1.00 C ATOM 139 O LYS A 10 4.420 -0.910 5.409 1.00 1.00 O ATOM 140 CB LYS A 10 2.234 0.918 5.712 1.00 1.00 C ATOM 141 CG LYS A 10 0.849 1.324 6.251 1.00 1.00 C ATOM 142 CD LYS A 10 -0.137 1.849 5.206 1.00 1.00 C ATOM 143 CE LYS A 10 -1.588 1.903 5.689 1.00 1.00 C ATOM 144 NZ LYS A 10 -1.747 2.570 6.998 1.00 1.00 N ATOM 0 H LYS A 10 1.293 -1.395 6.121 1.00 1.00 H new ATOM 0 HA LYS A 10 1.957 0.231 3.735 1.00 1.00 H new ATOM 0 HB2 LYS A 10 2.862 0.629 6.555 1.00 1.00 H new ATOM 0 HB3 LYS A 10 2.697 1.793 5.255 1.00 1.00 H new ATOM 0 HG2 LYS A 10 0.403 0.460 6.744 1.00 1.00 H new ATOM 0 HG3 LYS A 10 0.986 2.091 7.013 1.00 1.00 H new ATOM 0 HD2 LYS A 10 0.171 2.849 4.902 1.00 1.00 H new ATOM 0 HD3 LYS A 10 -0.083 1.216 4.321 1.00 1.00 H new ATOM 0 HE2 LYS A 10 -2.191 2.427 4.947 1.00 1.00 H new ATOM 0 HE3 LYS A 10 -1.978 0.888 5.757 1.00 1.00 H new ATOM 0 HZ1 LYS A 10 -2.758 2.648 7.227 1.00 1.00 H new ATOM 0 HZ2 LYS A 10 -1.268 2.011 7.733 1.00 1.00 H new ATOM 0 HZ3 LYS A 10 -1.327 3.520 6.957 1.00 1.00 H new ATOM 158 N ARG A 11 3.794 -1.633 3.386 1.00 1.00 N ATOM 159 CA ARG A 11 5.002 -2.442 3.199 1.00 1.00 C ATOM 160 C ARG A 11 6.092 -1.557 2.630 1.00 1.00 C ATOM 161 O ARG A 11 5.813 -0.527 2.026 1.00 1.00 O ATOM 162 CB ARG A 11 4.721 -3.651 2.293 1.00 1.00 C ATOM 163 CG ARG A 11 5.683 -4.834 2.516 1.00 1.00 C ATOM 164 CD ARG A 11 5.105 -6.173 2.013 1.00 1.00 C ATOM 165 NE ARG A 11 4.787 -7.142 3.090 1.00 1.00 N ATOM 166 CZ ARG A 11 4.005 -6.984 4.169 1.00 1.00 C ATOM 167 NH1 ARG A 11 3.396 -5.838 4.420 1.00 1.00 N ATOM 168 NH2 ARG A 11 3.809 -7.968 5.031 1.00 1.00 N ATOM 0 H ARG A 11 3.138 -1.667 2.605 1.00 1.00 H new ATOM 0 HA ARG A 11 5.331 -2.842 4.158 1.00 1.00 H new ATOM 0 HB2 ARG A 11 3.699 -3.990 2.462 1.00 1.00 H new ATOM 0 HB3 ARG A 11 4.784 -3.335 1.252 1.00 1.00 H new ATOM 0 HG2 ARG A 11 6.624 -4.634 2.004 1.00 1.00 H new ATOM 0 HG3 ARG A 11 5.910 -4.917 3.579 1.00 1.00 H new ATOM 0 HD2 ARG A 11 4.199 -5.973 1.441 1.00 1.00 H new ATOM 0 HD3 ARG A 11 5.820 -6.630 1.328 1.00 1.00 H new ATOM 0 HE ARG A 11 5.225 -8.059 2.997 1.00 1.00 H new ATOM 0 HH11 ARG A 11 3.515 -5.048 3.786 1.00 1.00 H new ATOM 0 HH12 ARG A 11 2.807 -5.744 5.247 1.00 1.00 H new ATOM 0 HH21 ARG A 11 4.257 -8.872 4.883 1.00 1.00 H new ATOM 0 HH22 ARG A 11 3.210 -7.822 5.844 1.00 1.00 H new ATOM 182 N MET A 12 7.336 -1.973 2.786 1.00 1.00 N ATOM 183 CA MET A 12 8.477 -1.193 2.333 1.00 1.00 C ATOM 184 C MET A 12 8.967 -1.752 1.008 1.00 1.00 C ATOM 185 O MET A 12 9.299 -2.936 0.890 1.00 1.00 O ATOM 186 CB MET A 12 9.590 -1.171 3.384 1.00 1.00 C ATOM 187 CG MET A 12 9.199 -0.329 4.604 1.00 1.00 C ATOM 188 SD MET A 12 9.129 1.459 4.303 1.00 1.00 S ATOM 189 CE MET A 12 8.579 1.999 5.946 1.00 1.00 C ATOM 0 H MET A 12 7.585 -2.858 3.229 1.00 1.00 H new ATOM 0 HA MET A 12 8.169 -0.158 2.187 1.00 1.00 H new ATOM 0 HB2 MET A 12 9.812 -2.190 3.701 1.00 1.00 H new ATOM 0 HB3 MET A 12 10.501 -0.769 2.941 1.00 1.00 H new ATOM 0 HG2 MET A 12 8.224 -0.662 4.960 1.00 1.00 H new ATOM 0 HG3 MET A 12 9.913 -0.521 5.405 1.00 1.00 H new ATOM 0 HE1 MET A 12 8.477 3.084 5.957 1.00 1.00 H new ATOM 0 HE2 MET A 12 7.617 1.542 6.176 1.00 1.00 H new ATOM 0 HE3 MET A 12 9.312 1.696 6.693 1.00 1.00 H new ATOM 199 N SER A 13 9.010 -0.885 0.005 1.00 1.00 N ATOM 200 CA SER A 13 9.812 -1.046 -1.186 1.00 1.00 C ATOM 201 C SER A 13 11.242 -0.597 -0.872 1.00 1.00 C ATOM 202 O SER A 13 11.438 0.437 -0.225 1.00 1.00 O ATOM 203 CB SER A 13 9.212 -0.143 -2.267 1.00 1.00 C ATOM 204 OG SER A 13 8.176 -0.798 -2.960 1.00 1.00 O ATOM 0 H SER A 13 8.466 -0.022 0.005 1.00 1.00 H new ATOM 0 HA SER A 13 9.826 -2.083 -1.523 1.00 1.00 H new ATOM 0 HB2 SER A 13 8.828 0.769 -1.811 1.00 1.00 H new ATOM 0 HB3 SER A 13 9.991 0.155 -2.969 1.00 1.00 H new ATOM 0 HG SER A 13 7.540 -1.176 -2.317 1.00 1.00 H new ATOM 210 N ARG A 14 12.225 -1.313 -1.432 1.00 1.00 N ATOM 211 CA ARG A 14 13.643 -0.954 -1.449 1.00 1.00 C ATOM 212 C ARG A 14 14.178 -0.572 -0.071 1.00 1.00 C ATOM 213 O ARG A 14 14.777 0.493 0.068 1.00 1.00 O ATOM 214 CB ARG A 14 13.904 0.114 -2.530 1.00 1.00 C ATOM 215 CG ARG A 14 13.713 -0.431 -3.947 1.00 1.00 C ATOM 216 CD ARG A 14 14.068 0.642 -4.977 1.00 1.00 C ATOM 217 NE ARG A 14 13.918 0.126 -6.344 1.00 1.00 N ATOM 218 CZ ARG A 14 14.895 -0.299 -7.152 1.00 1.00 C ATOM 219 NH1 ARG A 14 16.183 -0.201 -6.840 1.00 1.00 N ATOM 220 NH2 ARG A 14 14.561 -0.836 -8.313 1.00 1.00 N ATOM 0 H ARG A 14 12.042 -2.197 -1.906 1.00 1.00 H new ATOM 0 HA ARG A 14 14.215 -1.841 -1.720 1.00 1.00 H new ATOM 0 HB2 ARG A 14 13.231 0.957 -2.374 1.00 1.00 H new ATOM 0 HB3 ARG A 14 14.920 0.494 -2.424 1.00 1.00 H new ATOM 0 HG2 ARG A 14 14.341 -1.309 -4.095 1.00 1.00 H new ATOM 0 HG3 ARG A 14 12.680 -0.751 -4.085 1.00 1.00 H new ATOM 0 HD2 ARG A 14 13.425 1.511 -4.839 1.00 1.00 H new ATOM 0 HD3 ARG A 14 15.094 0.977 -4.821 1.00 1.00 H new ATOM 0 HE ARG A 14 12.969 0.088 -6.716 1.00 1.00 H new ATOM 0 HH11 ARG A 14 16.462 0.213 -5.951 1.00 1.00 H new ATOM 0 HH12 ARG A 14 16.892 -0.540 -7.490 1.00 1.00 H new ATOM 0 HH21 ARG A 14 13.578 -0.918 -8.573 1.00 1.00 H new ATOM 0 HH22 ARG A 14 15.286 -1.168 -8.949 1.00 1.00 H new ATOM 234 N SER A 15 13.993 -1.440 0.925 1.00 1.00 N ATOM 235 CA SER A 15 14.423 -1.284 2.312 1.00 1.00 C ATOM 236 C SER A 15 13.735 -0.096 2.985 1.00 1.00 C ATOM 237 O SER A 15 12.799 -0.295 3.757 1.00 1.00 O ATOM 238 CB SER A 15 15.955 -1.235 2.409 1.00 1.00 C ATOM 239 OG SER A 15 16.523 -2.404 1.858 1.00 1.00 O ATOM 0 H SER A 15 13.509 -2.325 0.773 1.00 1.00 H new ATOM 0 HA SER A 15 14.106 -2.164 2.871 1.00 1.00 H new ATOM 0 HB2 SER A 15 16.331 -0.358 1.882 1.00 1.00 H new ATOM 0 HB3 SER A 15 16.256 -1.134 3.452 1.00 1.00 H new ATOM 0 HG SER A 15 17.499 -2.357 1.926 1.00 1.00 H new ATOM 245 N SER A 16 14.168 1.125 2.692 1.00 1.00 N ATOM 246 CA SER A 16 13.551 2.366 3.089 1.00 1.00 C ATOM 247 C SER A 16 13.543 3.267 1.853 1.00 1.00 C ATOM 248 O SER A 16 14.175 4.325 1.835 1.00 1.00 O ATOM 249 CB SER A 16 14.350 2.947 4.249 1.00 1.00 C ATOM 250 OG SER A 16 14.438 2.034 5.332 1.00 1.00 O ATOM 0 H SER A 16 15.011 1.274 2.137 1.00 1.00 H new ATOM 0 HA SER A 16 12.525 2.247 3.438 1.00 1.00 H new ATOM 0 HB2 SER A 16 15.352 3.205 3.908 1.00 1.00 H new ATOM 0 HB3 SER A 16 13.881 3.871 4.588 1.00 1.00 H new ATOM 0 HG SER A 16 14.958 2.437 6.058 1.00 1.00 H new ATOM 256 N GLY A 17 12.889 2.798 0.787 1.00 1.00 N ATOM 257 CA GLY A 17 12.740 3.530 -0.455 1.00 1.00 C ATOM 258 C GLY A 17 11.411 4.262 -0.449 1.00 1.00 C ATOM 259 O GLY A 17 11.390 5.485 -0.543 1.00 1.00 O ATOM 0 H GLY A 17 12.443 1.881 0.772 1.00 1.00 H new ATOM 0 HA2 GLY A 17 13.559 4.240 -0.573 1.00 1.00 H new ATOM 0 HA3 GLY A 17 12.787 2.845 -1.302 1.00 1.00 H new ATOM 263 N ARG A 18 10.305 3.528 -0.320 1.00 1.00 N ATOM 264 CA ARG A 18 8.979 4.069 -0.019 1.00 1.00 C ATOM 265 C ARG A 18 8.207 3.041 0.736 1.00 1.00 C ATOM 266 O ARG A 18 8.466 1.842 0.624 1.00 1.00 O ATOM 267 CB ARG A 18 8.165 4.378 -1.295 1.00 1.00 C ATOM 268 CG ARG A 18 8.481 5.739 -1.931 1.00 1.00 C ATOM 269 CD ARG A 18 9.082 5.670 -3.340 1.00 1.00 C ATOM 270 NE ARG A 18 10.307 6.474 -3.457 1.00 1.00 N ATOM 271 CZ ARG A 18 10.414 7.788 -3.673 1.00 1.00 C ATOM 272 NH1 ARG A 18 9.352 8.572 -3.811 1.00 1.00 N ATOM 273 NH2 ARG A 18 11.629 8.309 -3.747 1.00 1.00 N ATOM 0 H ARG A 18 10.307 2.513 -0.425 1.00 1.00 H new ATOM 0 HA ARG A 18 9.128 4.990 0.544 1.00 1.00 H new ATOM 0 HB2 ARG A 18 8.352 3.595 -2.030 1.00 1.00 H new ATOM 0 HB3 ARG A 18 7.103 4.341 -1.052 1.00 1.00 H new ATOM 0 HG2 ARG A 18 7.564 6.326 -1.972 1.00 1.00 H new ATOM 0 HG3 ARG A 18 9.174 6.275 -1.282 1.00 1.00 H new ATOM 0 HD2 ARG A 18 9.304 4.632 -3.589 1.00 1.00 H new ATOM 0 HD3 ARG A 18 8.348 6.021 -4.065 1.00 1.00 H new ATOM 0 HE ARG A 18 11.186 5.965 -3.361 1.00 1.00 H new ATOM 0 HH11 ARG A 18 8.414 8.175 -3.753 1.00 1.00 H new ATOM 0 HH12 ARG A 18 9.474 9.571 -3.975 1.00 1.00 H new ATOM 0 HH21 ARG A 18 12.448 7.710 -3.640 1.00 1.00 H new ATOM 0 HH22 ARG A 18 11.746 9.309 -3.911 1.00 1.00 H new ATOM 287 N VAL A 19 7.161 3.536 1.367 1.00 1.00 N ATOM 288 CA VAL A 19 6.131 2.723 1.934 1.00 1.00 C ATOM 289 C VAL A 19 4.964 2.807 0.956 1.00 1.00 C ATOM 290 O VAL A 19 3.935 3.436 1.201 1.00 1.00 O ATOM 291 CB VAL A 19 5.964 3.131 3.400 1.00 1.00 C ATOM 292 CG1 VAL A 19 5.235 4.447 3.678 1.00 1.00 C ATOM 293 CG2 VAL A 19 5.317 1.983 4.172 1.00 1.00 C ATOM 0 H VAL A 19 7.010 4.536 1.497 1.00 1.00 H new ATOM 0 HA VAL A 19 6.316 1.653 2.031 1.00 1.00 H new ATOM 0 HB VAL A 19 6.977 3.333 3.746 1.00 1.00 H new ATOM 0 HG11 VAL A 19 5.186 4.616 4.754 1.00 1.00 H new ATOM 0 HG12 VAL A 19 5.774 5.268 3.206 1.00 1.00 H new ATOM 0 HG13 VAL A 19 4.225 4.396 3.272 1.00 1.00 H new ATOM 0 HG21 VAL A 19 5.196 2.270 5.217 1.00 1.00 H new ATOM 0 HG22 VAL A 19 4.341 1.760 3.742 1.00 1.00 H new ATOM 0 HG23 VAL A 19 5.952 1.099 4.109 1.00 1.00 H new ATOM 303 N TYR A 20 5.178 2.240 -0.233 1.00 1.00 N ATOM 304 CA TYR A 20 4.062 1.924 -1.112 1.00 1.00 C ATOM 305 C TYR A 20 3.160 0.989 -0.303 1.00 1.00 C ATOM 306 O TYR A 20 3.611 0.021 0.313 1.00 1.00 O ATOM 307 CB TYR A 20 4.508 1.384 -2.496 1.00 1.00 C ATOM 308 CG TYR A 20 5.025 -0.044 -2.618 1.00 1.00 C ATOM 309 CD1 TYR A 20 5.629 -0.683 -1.532 1.00 1.00 C ATOM 310 CD2 TYR A 20 4.855 -0.770 -3.808 1.00 1.00 C ATOM 311 CE1 TYR A 20 5.920 -2.050 -1.548 1.00 1.00 C ATOM 312 CE2 TYR A 20 5.132 -2.150 -3.845 1.00 1.00 C ATOM 313 CZ TYR A 20 5.660 -2.803 -2.710 1.00 1.00 C ATOM 314 OH TYR A 20 5.950 -4.130 -2.748 1.00 1.00 O ATOM 0 H TYR A 20 6.098 1.996 -0.600 1.00 1.00 H new ATOM 0 HA TYR A 20 3.504 2.815 -1.401 1.00 1.00 H new ATOM 0 HB2 TYR A 20 3.659 1.482 -3.173 1.00 1.00 H new ATOM 0 HB3 TYR A 20 5.290 2.046 -2.867 1.00 1.00 H new ATOM 0 HD1 TYR A 20 5.878 -0.104 -0.655 1.00 1.00 H new ATOM 0 HD2 TYR A 20 4.510 -0.267 -4.699 1.00 1.00 H new ATOM 0 HE1 TYR A 20 6.342 -2.526 -0.675 1.00 1.00 H new ATOM 0 HE2 TYR A 20 4.939 -2.712 -4.747 1.00 1.00 H new ATOM 0 HH TYR A 20 5.706 -4.493 -3.625 1.00 1.00 H new ATOM 324 N TYR A 21 1.889 1.320 -0.168 1.00 1.00 N ATOM 325 CA TYR A 21 0.997 0.412 0.528 1.00 1.00 C ATOM 326 C TYR A 21 0.881 -0.812 -0.366 1.00 1.00 C ATOM 327 O TYR A 21 0.923 -0.668 -1.585 1.00 1.00 O ATOM 328 CB TYR A 21 -0.318 1.120 0.828 1.00 1.00 C ATOM 329 CG TYR A 21 -0.128 2.485 1.445 1.00 1.00 C ATOM 330 CD1 TYR A 21 0.914 2.731 2.342 1.00 1.00 C ATOM 331 CD2 TYR A 21 -0.933 3.549 1.034 1.00 1.00 C ATOM 332 CE1 TYR A 21 1.098 4.012 2.852 1.00 1.00 C ATOM 333 CE2 TYR A 21 -0.729 4.851 1.529 1.00 1.00 C ATOM 334 CZ TYR A 21 0.282 5.086 2.470 1.00 1.00 C ATOM 335 OH TYR A 21 0.482 6.337 2.964 1.00 1.00 O ATOM 0 H TYR A 21 1.463 2.178 -0.517 1.00 1.00 H new ATOM 0 HA TYR A 21 1.361 0.092 1.504 1.00 1.00 H new ATOM 0 HB2 TYR A 21 -0.888 1.221 -0.095 1.00 1.00 H new ATOM 0 HB3 TYR A 21 -0.911 0.502 1.502 1.00 1.00 H new ATOM 0 HD1 TYR A 21 1.574 1.930 2.639 1.00 1.00 H new ATOM 0 HD2 TYR A 21 -1.726 3.370 0.324 1.00 1.00 H new ATOM 0 HE1 TYR A 21 1.893 4.184 3.563 1.00 1.00 H new ATOM 0 HE2 TYR A 21 -1.349 5.665 1.185 1.00 1.00 H new ATOM 0 HH TYR A 21 -0.182 6.949 2.583 1.00 1.00 H new ATOM 345 N PHE A 22 0.756 -1.997 0.217 1.00 1.00 N ATOM 346 CA PHE A 22 0.665 -3.254 -0.501 1.00 1.00 C ATOM 347 C PHE A 22 -0.591 -3.945 0.011 1.00 1.00 C ATOM 348 O PHE A 22 -0.713 -4.263 1.196 1.00 1.00 O ATOM 349 CB PHE A 22 1.962 -4.055 -0.340 1.00 1.00 C ATOM 350 CG PHE A 22 1.854 -5.518 -0.726 1.00 1.00 C ATOM 351 CD1 PHE A 22 1.837 -5.900 -2.081 1.00 1.00 C ATOM 352 CD2 PHE A 22 1.777 -6.503 0.278 1.00 1.00 C ATOM 353 CE1 PHE A 22 1.747 -7.260 -2.429 1.00 1.00 C ATOM 354 CE2 PHE A 22 1.708 -7.861 -0.070 1.00 1.00 C ATOM 355 CZ PHE A 22 1.681 -8.241 -1.422 1.00 1.00 C ATOM 0 H PHE A 22 0.714 -2.110 1.230 1.00 1.00 H new ATOM 0 HA PHE A 22 0.569 -3.127 -1.579 1.00 1.00 H new ATOM 0 HB2 PHE A 22 2.739 -3.589 -0.947 1.00 1.00 H new ATOM 0 HB3 PHE A 22 2.287 -3.990 0.698 1.00 1.00 H new ATOM 0 HD1 PHE A 22 1.893 -5.148 -2.854 1.00 1.00 H new ATOM 0 HD2 PHE A 22 1.771 -6.213 1.318 1.00 1.00 H new ATOM 0 HE1 PHE A 22 1.729 -7.551 -3.469 1.00 1.00 H new ATOM 0 HE2 PHE A 22 1.676 -8.615 0.703 1.00 1.00 H new ATOM 0 HZ PHE A 22 1.610 -9.285 -1.689 1.00 1.00 H new ATOM 365 N ASN A 23 -1.565 -4.051 -0.884 1.00 1.00 N ATOM 366 CA ASN A 23 -2.808 -4.777 -0.729 1.00 1.00 C ATOM 367 C ASN A 23 -2.470 -6.248 -0.643 1.00 1.00 C ATOM 368 O ASN A 23 -1.496 -6.707 -1.234 1.00 1.00 O ATOM 369 CB ASN A 23 -3.667 -4.512 -1.966 1.00 1.00 C ATOM 370 CG ASN A 23 -5.138 -4.877 -1.876 1.00 1.00 C ATOM 371 OD1 ASN A 23 -5.501 -5.960 -1.456 1.00 1.00 O ATOM 372 ND2 ASN A 23 -6.025 -4.030 -2.365 1.00 1.00 N ATOM 0 H ASN A 23 -1.498 -3.600 -1.796 1.00 1.00 H new ATOM 0 HA ASN A 23 -3.349 -4.467 0.165 1.00 1.00 H new ATOM 0 HB2 ASN A 23 -3.596 -3.451 -2.207 1.00 1.00 H new ATOM 0 HB3 ASN A 23 -3.233 -5.059 -2.803 1.00 1.00 H new ATOM 0 HD21 ASN A 23 -7.013 -4.284 -2.390 1.00 1.00 H new ATOM 0 HD22 ASN A 23 -5.723 -3.122 -2.717 1.00 1.00 H new ATOM 379 N HIS A 24 -3.315 -7.000 0.028 1.00 1.00 N ATOM 380 CA HIS A 24 -3.198 -8.424 0.167 1.00 1.00 C ATOM 381 C HIS A 24 -4.381 -9.167 -0.441 1.00 1.00 C ATOM 382 O HIS A 24 -4.216 -10.291 -0.902 1.00 1.00 O ATOM 383 CB HIS A 24 -2.986 -8.730 1.644 1.00 1.00 C ATOM 384 CG HIS A 24 -4.115 -8.439 2.602 1.00 1.00 C ATOM 385 ND1 HIS A 24 -4.104 -7.496 3.606 1.00 1.00 N ATOM 386 CD2 HIS A 24 -5.289 -9.133 2.701 1.00 1.00 C ATOM 387 CE1 HIS A 24 -5.278 -7.578 4.254 1.00 1.00 C ATOM 388 NE2 HIS A 24 -6.027 -8.572 3.748 1.00 1.00 N ATOM 0 H HIS A 24 -4.130 -6.617 0.507 1.00 1.00 H new ATOM 0 HA HIS A 24 -2.340 -8.786 -0.399 1.00 1.00 H new ATOM 0 HB2 HIS A 24 -2.739 -9.788 1.733 1.00 1.00 H new ATOM 0 HB3 HIS A 24 -2.113 -8.169 1.978 1.00 1.00 H new ATOM 0 HD2 HIS A 24 -5.592 -9.965 2.082 1.00 1.00 H new ATOM 0 HE1 HIS A 24 -5.578 -6.935 5.068 1.00 1.00 H new ATOM 0 HE2 HIS A 24 -6.952 -8.861 4.065 1.00 1.00 H new ATOM 396 N ILE A 25 -5.554 -8.542 -0.509 1.00 1.00 N ATOM 397 CA ILE A 25 -6.728 -9.051 -1.205 1.00 1.00 C ATOM 398 C ILE A 25 -6.393 -9.181 -2.692 1.00 1.00 C ATOM 399 O ILE A 25 -6.636 -10.230 -3.291 1.00 1.00 O ATOM 400 CB ILE A 25 -7.938 -8.118 -0.964 1.00 1.00 C ATOM 401 CG1 ILE A 25 -8.172 -7.822 0.538 1.00 1.00 C ATOM 402 CG2 ILE A 25 -9.194 -8.694 -1.641 1.00 1.00 C ATOM 403 CD1 ILE A 25 -8.503 -9.047 1.391 1.00 1.00 C ATOM 0 H ILE A 25 -5.716 -7.638 -0.066 1.00 1.00 H new ATOM 0 HA ILE A 25 -7.003 -10.034 -0.822 1.00 1.00 H new ATOM 0 HB ILE A 25 -7.711 -7.155 -1.422 1.00 1.00 H new ATOM 0 HG12 ILE A 25 -7.279 -7.346 0.943 1.00 1.00 H new ATOM 0 HG13 ILE A 25 -8.986 -7.103 0.629 1.00 1.00 H new ATOM 0 HG21 ILE A 25 -10.040 -8.029 -1.465 1.00 1.00 H new ATOM 0 HG22 ILE A 25 -9.020 -8.784 -2.713 1.00 1.00 H new ATOM 0 HG23 ILE A 25 -9.413 -9.677 -1.225 1.00 1.00 H new ATOM 0 HD11 ILE A 25 -8.650 -8.740 2.427 1.00 1.00 H new ATOM 0 HD12 ILE A 25 -9.414 -9.514 1.018 1.00 1.00 H new ATOM 0 HD13 ILE A 25 -7.681 -9.761 1.337 1.00 1.00 H new ATOM 415 N THR A 26 -5.837 -8.125 -3.294 1.00 1.00 N ATOM 416 CA THR A 26 -5.599 -8.061 -4.730 1.00 1.00 C ATOM 417 C THR A 26 -4.109 -7.958 -5.084 1.00 1.00 C ATOM 418 O THR A 26 -3.757 -7.897 -6.266 1.00 1.00 O ATOM 419 CB THR A 26 -6.450 -6.961 -5.371 1.00 1.00 C ATOM 420 OG1 THR A 26 -6.052 -5.691 -4.896 1.00 1.00 O ATOM 421 CG2 THR A 26 -7.950 -7.164 -5.120 1.00 1.00 C ATOM 0 H THR A 26 -5.540 -7.289 -2.792 1.00 1.00 H new ATOM 0 HA THR A 26 -5.921 -9.009 -5.160 1.00 1.00 H new ATOM 0 HB THR A 26 -6.286 -7.017 -6.447 1.00 1.00 H new ATOM 0 HG1 THR A 26 -6.603 -4.998 -5.315 1.00 1.00 H new ATOM 0 HG21 THR A 26 -8.511 -6.358 -5.594 1.00 1.00 H new ATOM 0 HG22 THR A 26 -8.263 -8.120 -5.540 1.00 1.00 H new ATOM 0 HG23 THR A 26 -8.144 -7.158 -4.047 1.00 1.00 H new ATOM 429 N ASN A 27 -3.221 -7.967 -4.079 1.00 1.00 N ATOM 430 CA ASN A 27 -1.759 -7.986 -4.220 1.00 1.00 C ATOM 431 C ASN A 27 -1.202 -6.839 -5.083 1.00 1.00 C ATOM 432 O ASN A 27 -0.112 -6.971 -5.643 1.00 1.00 O ATOM 433 CB ASN A 27 -1.272 -9.393 -4.631 1.00 1.00 C ATOM 434 CG ASN A 27 -1.497 -10.401 -3.511 1.00 1.00 C ATOM 435 OD1 ASN A 27 -0.709 -10.474 -2.576 1.00 1.00 O ATOM 436 ND2 ASN A 27 -2.584 -11.153 -3.539 1.00 1.00 N ATOM 0 H ASN A 27 -3.516 -7.961 -3.103 1.00 1.00 H new ATOM 0 HA ASN A 27 -1.332 -7.780 -3.239 1.00 1.00 H new ATOM 0 HB2 ASN A 27 -1.801 -9.717 -5.527 1.00 1.00 H new ATOM 0 HB3 ASN A 27 -0.212 -9.355 -4.883 1.00 1.00 H new ATOM 0 HD21 ASN A 27 -2.774 -11.803 -2.776 1.00 1.00 H new ATOM 0 HD22 ASN A 27 -3.233 -11.083 -4.323 1.00 1.00 H new ATOM 443 N ALA A 28 -1.937 -5.732 -5.234 1.00 1.00 N ATOM 444 CA ALA A 28 -1.488 -4.487 -5.864 1.00 1.00 C ATOM 445 C ALA A 28 -0.764 -3.595 -4.843 1.00 1.00 C ATOM 446 O ALA A 28 -0.783 -3.896 -3.647 1.00 1.00 O ATOM 447 CB ALA A 28 -2.715 -3.755 -6.420 1.00 1.00 C ATOM 0 H ALA A 28 -2.901 -5.677 -4.907 1.00 1.00 H new ATOM 0 HA ALA A 28 -0.789 -4.716 -6.668 1.00 1.00 H new ATOM 0 HB1 ALA A 28 -2.400 -2.825 -6.893 1.00 1.00 H new ATOM 0 HB2 ALA A 28 -3.213 -4.386 -7.156 1.00 1.00 H new ATOM 0 HB3 ALA A 28 -3.406 -3.533 -5.607 1.00 1.00 H new ATOM 453 N SER A 29 -0.199 -2.463 -5.277 1.00 1.00 N ATOM 454 CA SER A 29 0.416 -1.479 -4.388 1.00 1.00 C ATOM 455 C SER A 29 0.084 -0.036 -4.793 1.00 1.00 C ATOM 456 O SER A 29 -0.347 0.172 -5.928 1.00 1.00 O ATOM 457 CB SER A 29 1.924 -1.707 -4.326 1.00 1.00 C ATOM 458 OG SER A 29 2.511 -1.656 -5.617 1.00 1.00 O ATOM 0 H SER A 29 -0.157 -2.205 -6.263 1.00 1.00 H new ATOM 0 HA SER A 29 -0.004 -1.620 -3.392 1.00 1.00 H new ATOM 0 HB2 SER A 29 2.381 -0.952 -3.687 1.00 1.00 H new ATOM 0 HB3 SER A 29 2.128 -2.676 -3.870 1.00 1.00 H new ATOM 0 HG SER A 29 3.487 -1.637 -5.532 1.00 1.00 H new ATOM 464 N GLN A 30 0.252 0.963 -3.907 1.00 1.00 N ATOM 465 CA GLN A 30 -0.272 2.331 -4.124 1.00 1.00 C ATOM 466 C GLN A 30 0.316 3.351 -3.130 1.00 1.00 C ATOM 467 O GLN A 30 1.193 3.021 -2.334 1.00 1.00 O ATOM 468 CB GLN A 30 -1.822 2.369 -4.066 1.00 1.00 C ATOM 469 CG GLN A 30 -2.545 2.078 -5.390 1.00 1.00 C ATOM 470 CD GLN A 30 -3.957 2.660 -5.376 1.00 1.00 C ATOM 471 OE1 GLN A 30 -4.119 3.877 -5.402 1.00 1.00 O ATOM 472 NE2 GLN A 30 -4.994 1.842 -5.336 1.00 1.00 N ATOM 0 H GLN A 30 0.751 0.850 -3.025 1.00 1.00 H new ATOM 0 HA GLN A 30 0.047 2.618 -5.126 1.00 1.00 H new ATOM 0 HB2 GLN A 30 -2.157 1.645 -3.323 1.00 1.00 H new ATOM 0 HB3 GLN A 30 -2.130 3.353 -3.714 1.00 1.00 H new ATOM 0 HG2 GLN A 30 -1.980 2.503 -6.219 1.00 1.00 H new ATOM 0 HG3 GLN A 30 -2.592 1.002 -5.555 1.00 1.00 H new ATOM 0 HE21 GLN A 30 -4.847 0.833 -5.315 1.00 1.00 H new ATOM 0 HE22 GLN A 30 -5.941 2.220 -5.326 1.00 1.00 H new ATOM 481 N TRP A 31 -0.168 4.599 -3.217 1.00 1.00 N ATOM 482 CA TRP A 31 0.438 5.825 -2.710 1.00 1.00 C ATOM 483 C TRP A 31 -0.587 6.672 -1.933 1.00 1.00 C ATOM 484 O TRP A 31 -0.238 7.290 -0.924 1.00 1.00 O ATOM 485 CB TRP A 31 0.971 6.611 -3.921 1.00 1.00 C ATOM 486 CG TRP A 31 1.632 5.734 -4.941 1.00 1.00 C ATOM 487 CD1 TRP A 31 1.034 5.226 -6.041 1.00 1.00 C ATOM 488 CD2 TRP A 31 2.932 5.088 -4.864 1.00 1.00 C ATOM 489 NE1 TRP A 31 1.871 4.308 -6.639 1.00 1.00 N ATOM 490 CE2 TRP A 31 3.059 4.179 -5.953 1.00 1.00 C ATOM 491 CE3 TRP A 31 3.997 5.150 -3.950 1.00 1.00 C ATOM 492 CZ2 TRP A 31 4.198 3.379 -6.126 1.00 1.00 C ATOM 493 CZ3 TRP A 31 5.145 4.362 -4.114 1.00 1.00 C ATOM 494 CH2 TRP A 31 5.253 3.477 -5.202 1.00 1.00 C ATOM 0 H TRP A 31 -1.059 4.784 -3.679 1.00 1.00 H new ATOM 0 HA TRP A 31 1.245 5.583 -2.018 1.00 1.00 H new ATOM 0 HB2 TRP A 31 0.147 7.148 -4.390 1.00 1.00 H new ATOM 0 HB3 TRP A 31 1.684 7.360 -3.576 1.00 1.00 H new ATOM 0 HD1 TRP A 31 0.051 5.497 -6.397 1.00 1.00 H new ATOM 0 HE1 TRP A 31 1.639 3.788 -7.485 1.00 1.00 H new ATOM 0 HE3 TRP A 31 3.930 5.818 -3.104 1.00 1.00 H new ATOM 0 HZ2 TRP A 31 4.264 2.695 -6.960 1.00 1.00 H new ATOM 0 HZ3 TRP A 31 5.952 4.435 -3.400 1.00 1.00 H new ATOM 0 HH2 TRP A 31 6.142 2.876 -5.327 1.00 1.00 H new ATOM 505 N GLU A 32 -1.852 6.700 -2.374 1.00 1.00 N ATOM 506 CA GLU A 32 -2.980 7.195 -1.570 1.00 1.00 C ATOM 507 C GLU A 32 -3.256 6.155 -0.487 1.00 1.00 C ATOM 508 O GLU A 32 -2.827 5.028 -0.677 1.00 1.00 O ATOM 509 CB GLU A 32 -4.230 7.381 -2.444 1.00 1.00 C ATOM 510 CG GLU A 32 -4.139 8.651 -3.297 1.00 1.00 C ATOM 511 CD GLU A 32 -3.030 8.589 -4.344 1.00 1.00 C ATOM 512 OE1 GLU A 32 -3.071 7.683 -5.207 1.00 1.00 O ATOM 513 OE2 GLU A 32 -2.128 9.456 -4.310 1.00 1.00 O ATOM 0 H GLU A 32 -2.124 6.378 -3.303 1.00 1.00 H new ATOM 0 HA GLU A 32 -2.735 8.162 -1.132 1.00 1.00 H new ATOM 0 HB2 GLU A 32 -4.353 6.514 -3.093 1.00 1.00 H new ATOM 0 HB3 GLU A 32 -5.114 7.431 -1.809 1.00 1.00 H new ATOM 0 HG2 GLU A 32 -5.094 8.816 -3.797 1.00 1.00 H new ATOM 0 HG3 GLU A 32 -3.968 9.508 -2.645 1.00 1.00 H new ATOM 520 N ARG A 33 -3.937 6.458 0.628 1.00 1.00 N ATOM 521 CA ARG A 33 -4.092 5.482 1.726 1.00 1.00 C ATOM 522 C ARG A 33 -5.422 4.732 1.665 1.00 1.00 C ATOM 523 O ARG A 33 -6.403 5.312 1.196 1.00 1.00 O ATOM 524 CB ARG A 33 -3.904 6.172 3.086 1.00 1.00 C ATOM 525 CG ARG A 33 -5.097 7.053 3.503 1.00 1.00 C ATOM 526 CD ARG A 33 -4.774 7.896 4.739 1.00 1.00 C ATOM 527 NE ARG A 33 -3.730 8.888 4.444 1.00 1.00 N ATOM 528 CZ ARG A 33 -3.877 10.087 3.874 1.00 1.00 C ATOM 529 NH1 ARG A 33 -5.076 10.569 3.560 1.00 1.00 N ATOM 530 NH2 ARG A 33 -2.782 10.786 3.610 1.00 1.00 N ATOM 0 H ARG A 33 -4.386 7.359 0.796 1.00 1.00 H new ATOM 0 HA ARG A 33 -3.312 4.731 1.602 1.00 1.00 H new ATOM 0 HB2 ARG A 33 -3.741 5.412 3.850 1.00 1.00 H new ATOM 0 HB3 ARG A 33 -3.005 6.787 3.050 1.00 1.00 H new ATOM 0 HG2 ARG A 33 -5.371 7.709 2.677 1.00 1.00 H new ATOM 0 HG3 ARG A 33 -5.961 6.421 3.709 1.00 1.00 H new ATOM 0 HD2 ARG A 33 -5.675 8.403 5.083 1.00 1.00 H new ATOM 0 HD3 ARG A 33 -4.444 7.247 5.550 1.00 1.00 H new ATOM 0 HE ARG A 33 -2.779 8.630 4.706 1.00 1.00 H new ATOM 0 HH11 ARG A 33 -5.913 10.020 3.754 1.00 1.00 H new ATOM 0 HH12 ARG A 33 -5.158 11.488 3.125 1.00 1.00 H new ATOM 0 HH21 ARG A 33 -1.865 10.404 3.842 1.00 1.00 H new ATOM 0 HH22 ARG A 33 -2.856 11.706 3.175 1.00 1.00 H new ATOM 544 N PRO A 34 -5.501 3.488 2.179 1.00 1.00 N ATOM 545 CA PRO A 34 -6.778 2.856 2.451 1.00 1.00 C ATOM 546 C PRO A 34 -7.582 3.637 3.473 1.00 1.00 C ATOM 547 O PRO A 34 -7.083 3.954 4.555 1.00 1.00 O ATOM 548 CB PRO A 34 -6.485 1.434 2.914 1.00 1.00 C ATOM 549 CG PRO A 34 -5.061 1.173 2.465 1.00 1.00 C ATOM 550 CD PRO A 34 -4.429 2.552 2.506 1.00 1.00 C ATOM 0 HA PRO A 34 -7.395 2.836 1.553 1.00 1.00 H new ATOM 0 HB2 PRO A 34 -6.583 1.341 3.996 1.00 1.00 H new ATOM 0 HB3 PRO A 34 -7.178 0.721 2.468 1.00 1.00 H new ATOM 0 HG2 PRO A 34 -4.550 0.476 3.129 1.00 1.00 H new ATOM 0 HG3 PRO A 34 -5.026 0.743 1.464 1.00 1.00 H new ATOM 0 HD2 PRO A 34 -4.012 2.763 3.491 1.00 1.00 H new ATOM 0 HD3 PRO A 34 -3.610 2.629 1.790 1.00 1.00 H new ATOM 558 N SER A 35 -8.832 3.911 3.125 1.00 1.00 N ATOM 559 CA SER A 35 -9.806 4.570 3.979 1.00 1.00 C ATOM 560 C SER A 35 -11.206 3.959 3.820 1.00 1.00 C ATOM 561 O SER A 35 -12.151 4.468 4.431 1.00 1.00 O ATOM 562 CB SER A 35 -9.805 6.070 3.659 1.00 1.00 C ATOM 563 OG SER A 35 -8.636 6.719 4.136 1.00 1.00 O ATOM 0 H SER A 35 -9.207 3.671 2.207 1.00 1.00 H new ATOM 0 HA SER A 35 -9.527 4.423 5.022 1.00 1.00 H new ATOM 0 HB2 SER A 35 -9.882 6.210 2.581 1.00 1.00 H new ATOM 0 HB3 SER A 35 -10.684 6.535 4.104 1.00 1.00 H new ATOM 0 HG SER A 35 -8.675 7.672 3.910 1.00 1.00 H new ATOM 569 N GLY A 36 -11.356 2.894 3.025 1.00 1.00 N ATOM 570 CA GLY A 36 -12.540 2.050 3.050 1.00 1.00 C ATOM 571 C GLY A 36 -12.486 1.138 4.263 1.00 1.00 C ATOM 572 O GLY A 36 -11.406 0.994 4.871 1.00 1.00 O ATOM 573 OXT GLY A 36 -13.545 0.572 4.614 1.00 1.00 O ATOM 0 H GLY A 36 -10.654 2.598 2.347 1.00 1.00 H new ATOM 0 HA2 GLY A 36 -13.438 2.666 3.085 1.00 1.00 H new ATOM 0 HA3 GLY A 36 -12.596 1.456 2.138 1.00 1.00 H new TER 577 GLY A 36