USER MOD reduce.3.24.130724 H: found=0, std=0, add=296, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 294 hydrogens (35 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 NoAdj-H: A 9 HYP H : A 9 HYP N : A 8 LYS C :(H bumps) USER MOD NoAdj-H: A 13 HYP H : A 13 HYP N : A 12 PHE C :(H bumps) USER MOD NoAdj-H: A 15 HYP H : A 15 HYP N : A 14 ILE C :(H bumps) USER MOD NoAdj-H: A 17 HYP H : A 17 HYP N : A 16 SER C :(H bumps) USER MOD NoAdj-H: A 19 HYP H : A 19 HYP N : A 18 ASN C :(H bumps) USER MOD Single : A 1 TRP N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= -1.11 X(o=-1.1,f=-0.66) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 HYP OD1 : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 HYP OD1 : rot 180:sc= 0 USER MOD Single : A 15 HYP OD1 : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 87:sc= -0.588 USER MOD Single : A 17 HYP OD1 : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0.21) USER MOD Single : A 19 HYP OD1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -0.149 X(o=-0.15,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N TRP A 1 24.599 -13.041 -5.967 1.00 0.00 N ATOM 2 CA TRP A 1 24.164 -14.200 -5.207 1.00 0.00 C ATOM 3 C TRP A 1 22.699 -13.988 -4.820 1.00 0.00 C ATOM 4 O TRP A 1 21.826 -14.744 -5.244 1.00 0.00 O ATOM 5 CB TRP A 1 25.073 -14.437 -3.999 1.00 0.00 C ATOM 6 CG TRP A 1 25.804 -15.781 -4.023 1.00 0.00 C ATOM 7 CD1 TRP A 1 27.071 -16.037 -3.673 1.00 0.00 C ATOM 8 CD2 TRP A 1 25.254 -17.050 -4.435 1.00 0.00 C ATOM 9 NE1 TRP A 1 27.378 -17.374 -3.829 1.00 0.00 N ATOM 10 CE2 TRP A 1 26.238 -18.009 -4.307 1.00 0.00 C ATOM 11 CE3 TRP A 1 23.968 -17.378 -4.900 1.00 0.00 C ATOM 12 CZ2 TRP A 1 26.040 -19.358 -4.624 1.00 0.00 C ATOM 13 CZ3 TRP A 1 23.786 -18.730 -5.212 1.00 0.00 C ATOM 14 CH2 TRP A 1 24.767 -19.707 -5.090 1.00 0.00 C ATOM 0 H1 TRP A 1 25.595 -13.161 -6.243 1.00 0.00 H new ATOM 0 H2 TRP A 1 24.012 -12.945 -6.820 1.00 0.00 H new ATOM 0 H3 TRP A 1 24.502 -12.186 -5.383 1.00 0.00 H new ATOM 0 HA TRP A 1 24.238 -15.106 -5.809 1.00 0.00 H new ATOM 0 HB2 TRP A 1 25.810 -13.635 -3.949 1.00 0.00 H new ATOM 0 HB3 TRP A 1 24.475 -14.377 -3.090 1.00 0.00 H new ATOM 0 HD1 TRP A 1 27.765 -15.292 -3.314 1.00 0.00 H new ATOM 0 HE1 TRP A 1 28.276 -17.815 -3.630 1.00 0.00 H new ATOM 0 HE3 TRP A 1 23.183 -16.644 -5.008 1.00 0.00 H new ATOM 0 HZ2 TRP A 1 26.827 -20.090 -4.515 1.00 0.00 H new ATOM 0 HZ3 TRP A 1 22.815 -19.036 -5.573 1.00 0.00 H new ATOM 0 HH2 TRP A 1 24.548 -20.731 -5.354 1.00 0.00 H new ATOM 25 N GLU A 2 22.474 -12.957 -4.019 1.00 0.00 N ATOM 26 CA GLU A 2 21.130 -12.637 -3.571 1.00 0.00 C ATOM 27 C GLU A 2 21.124 -11.303 -2.822 1.00 0.00 C ATOM 28 O GLU A 2 20.589 -11.208 -1.718 1.00 0.00 O ATOM 29 CB GLU A 2 20.561 -13.758 -2.698 1.00 0.00 C ATOM 30 CG GLU A 2 21.369 -13.912 -1.408 1.00 0.00 C ATOM 31 CD GLU A 2 22.075 -15.269 -1.361 1.00 0.00 C ATOM 32 OE1 GLU A 2 21.350 -16.282 -1.266 1.00 0.00 O ATOM 33 OE2 GLU A 2 23.323 -15.261 -1.424 1.00 0.00 O ATOM 0 H GLU A 2 23.200 -12.332 -3.669 1.00 0.00 H new ATOM 0 HA GLU A 2 20.489 -12.543 -4.447 1.00 0.00 H new ATOM 0 HB2 GLU A 2 19.520 -13.543 -2.456 1.00 0.00 H new ATOM 0 HB3 GLU A 2 20.572 -14.696 -3.252 1.00 0.00 H new ATOM 0 HG2 GLU A 2 22.106 -13.112 -1.339 1.00 0.00 H new ATOM 0 HG3 GLU A 2 20.708 -13.812 -0.547 1.00 0.00 H new ATOM 40 N TRP A 3 21.727 -10.304 -3.451 1.00 0.00 N ATOM 41 CA TRP A 3 21.798 -8.980 -2.858 1.00 0.00 C ATOM 42 C TRP A 3 20.377 -8.420 -2.780 1.00 0.00 C ATOM 43 O TRP A 3 19.455 -8.803 -3.501 1.00 0.00 O ATOM 44 CB TRP A 3 22.753 -8.078 -3.642 1.00 0.00 C ATOM 45 CG TRP A 3 24.105 -7.859 -2.957 1.00 0.00 C ATOM 46 CD1 TRP A 3 24.886 -6.772 -3.004 1.00 0.00 C ATOM 47 CD2 TRP A 3 24.806 -8.800 -2.118 1.00 0.00 C ATOM 48 NE1 TRP A 3 26.035 -6.942 -2.258 1.00 0.00 N ATOM 49 CE2 TRP A 3 25.984 -8.215 -1.702 1.00 0.00 C ATOM 50 CE3 TRP A 3 24.456 -10.103 -1.722 1.00 0.00 C ATOM 51 CZ2 TRP A 3 26.908 -8.859 -0.870 1.00 0.00 C ATOM 52 CZ3 TRP A 3 25.390 -10.733 -0.891 1.00 0.00 C ATOM 53 CH2 TRP A 3 26.580 -10.158 -0.463 1.00 0.00 C ATOM 0 H TRP A 3 22.171 -10.386 -4.366 1.00 0.00 H new ATOM 0 HA TRP A 3 22.208 -9.031 -1.849 1.00 0.00 H new ATOM 0 HB2 TRP A 3 22.922 -8.514 -4.627 1.00 0.00 H new ATOM 0 HB3 TRP A 3 22.276 -7.111 -3.799 1.00 0.00 H new ATOM 0 HD1 TRP A 3 24.647 -5.875 -3.556 1.00 0.00 H new ATOM 0 HE1 TRP A 3 26.783 -6.259 -2.137 1.00 0.00 H new ATOM 0 HE3 TRP A 3 23.539 -10.580 -2.034 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 27.824 -8.380 -0.559 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 25.170 -11.737 -0.559 1.00 0.00 H new ATOM 0 HH2 TRP A 3 27.249 -10.710 0.181 1.00 0.00 H new ATOM 64 N PRO A 4 20.192 -7.461 -1.851 1.00 0.00 N ATOM 65 CA PRO A 4 18.844 -6.921 -1.533 1.00 0.00 C ATOM 66 C PRO A 4 18.083 -6.152 -2.666 1.00 0.00 C ATOM 67 O PRO A 4 17.291 -5.309 -2.247 1.00 0.00 O ATOM 68 CB PRO A 4 19.158 -6.080 -0.275 1.00 0.00 C ATOM 69 CG PRO A 4 20.635 -5.681 -0.395 1.00 0.00 C ATOM 70 CD PRO A 4 21.301 -6.877 -1.076 1.00 0.00 C ATOM 0 HA PRO A 4 18.109 -7.712 -1.388 1.00 0.00 H new ATOM 0 HB2 PRO A 4 18.518 -5.199 -0.224 1.00 0.00 H new ATOM 0 HB3 PRO A 4 18.981 -6.655 0.634 1.00 0.00 H new ATOM 0 HG2 PRO A 4 20.754 -4.772 -0.984 1.00 0.00 H new ATOM 0 HG3 PRO A 4 21.074 -5.486 0.583 1.00 0.00 H new ATOM 0 HD2 PRO A 4 22.127 -6.570 -1.718 1.00 0.00 H new ATOM 0 HD3 PRO A 4 21.706 -7.583 -0.351 1.00 0.00 H new ATOM 78 N TRP A 5 18.294 -6.413 -3.948 1.00 0.00 N ATOM 79 CA TRP A 5 17.574 -5.695 -4.986 1.00 0.00 C ATOM 80 C TRP A 5 16.882 -6.724 -5.882 1.00 0.00 C ATOM 81 O TRP A 5 15.986 -7.438 -5.434 1.00 0.00 O ATOM 82 CB TRP A 5 18.511 -4.763 -5.759 1.00 0.00 C ATOM 83 CG TRP A 5 19.838 -5.411 -6.161 1.00 0.00 C ATOM 84 CD1 TRP A 5 20.785 -5.918 -5.360 1.00 0.00 C ATOM 85 CD2 TRP A 5 20.329 -5.602 -7.505 1.00 0.00 C ATOM 86 NE1 TRP A 5 21.847 -6.418 -6.086 1.00 0.00 N ATOM 87 CE2 TRP A 5 21.561 -6.220 -7.432 1.00 0.00 C ATOM 88 CE3 TRP A 5 19.751 -5.262 -8.741 1.00 0.00 C ATOM 89 CZ2 TRP A 5 22.319 -6.554 -8.560 1.00 0.00 C ATOM 90 CZ3 TRP A 5 20.522 -5.602 -9.859 1.00 0.00 C ATOM 91 CH2 TRP A 5 21.764 -6.224 -9.803 1.00 0.00 C ATOM 0 H TRP A 5 18.953 -7.112 -4.291 1.00 0.00 H new ATOM 0 HA TRP A 5 16.814 -5.047 -4.549 1.00 0.00 H new ATOM 0 HB2 TRP A 5 18.001 -4.415 -6.657 1.00 0.00 H new ATOM 0 HB3 TRP A 5 18.718 -3.884 -5.149 1.00 0.00 H new ATOM 0 HD1 TRP A 5 20.725 -5.933 -4.282 1.00 0.00 H new ATOM 0 HE1 TRP A 5 22.687 -6.853 -5.705 1.00 0.00 H new ATOM 0 HE3 TRP A 5 18.789 -4.777 -8.821 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 23.280 -7.040 -8.477 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 20.124 -5.364 -10.834 1.00 0.00 H new ATOM 0 HH2 TRP A 5 22.298 -6.452 -10.713 1.00 0.00 H new ATOM 102 N ASN A 6 17.325 -6.768 -7.129 1.00 0.00 N ATOM 103 CA ASN A 6 16.760 -7.699 -8.092 1.00 0.00 C ATOM 104 C ASN A 6 15.309 -7.308 -8.380 1.00 0.00 C ATOM 105 O ASN A 6 14.799 -6.338 -7.819 1.00 0.00 O ATOM 106 CB ASN A 6 16.764 -9.127 -7.544 1.00 0.00 C ATOM 107 CG ASN A 6 16.967 -10.145 -8.669 1.00 0.00 C ATOM 108 OD1 ASN A 6 17.916 -10.082 -9.433 1.00 0.00 O ATOM 109 ND2 ASN A 6 16.027 -11.083 -8.726 1.00 0.00 N ATOM 0 H ASN A 6 18.069 -6.174 -7.496 1.00 0.00 H new ATOM 0 HA ASN A 6 17.366 -7.658 -8.997 1.00 0.00 H new ATOM 0 HB2 ASN A 6 17.557 -9.234 -6.804 1.00 0.00 H new ATOM 0 HB3 ASN A 6 15.822 -9.327 -7.033 1.00 0.00 H new ATOM 0 HD21 ASN A 6 16.074 -11.809 -9.441 1.00 0.00 H new ATOM 0 HD22 ASN A 6 15.259 -11.077 -8.055 1.00 0.00 H new ATOM 116 N ARG A 7 14.684 -8.081 -9.257 1.00 0.00 N ATOM 117 CA ARG A 7 13.302 -7.828 -9.628 1.00 0.00 C ATOM 118 C ARG A 7 12.355 -8.541 -8.661 1.00 0.00 C ATOM 119 O ARG A 7 11.423 -9.222 -9.088 1.00 0.00 O ATOM 120 CB ARG A 7 13.019 -8.305 -11.053 1.00 0.00 C ATOM 121 CG ARG A 7 13.354 -7.213 -12.072 1.00 0.00 C ATOM 122 CD ARG A 7 13.415 -7.787 -13.489 1.00 0.00 C ATOM 123 NE ARG A 7 12.138 -8.458 -13.819 1.00 0.00 N ATOM 124 CZ ARG A 7 11.031 -7.815 -14.213 1.00 0.00 C ATOM 125 NH1 ARG A 7 11.037 -6.481 -14.328 1.00 0.00 N ATOM 126 NH2 ARG A 7 9.917 -8.507 -14.491 1.00 0.00 N ATOM 0 H ARG A 7 15.110 -8.883 -9.721 1.00 0.00 H new ATOM 0 HA ARG A 7 13.136 -6.752 -9.578 1.00 0.00 H new ATOM 0 HB2 ARG A 7 13.607 -9.198 -11.265 1.00 0.00 H new ATOM 0 HB3 ARG A 7 11.969 -8.584 -11.145 1.00 0.00 H new ATOM 0 HG2 ARG A 7 12.602 -6.425 -12.027 1.00 0.00 H new ATOM 0 HG3 ARG A 7 14.311 -6.756 -11.819 1.00 0.00 H new ATOM 0 HD2 ARG A 7 13.612 -6.989 -14.205 1.00 0.00 H new ATOM 0 HD3 ARG A 7 14.239 -8.496 -13.568 1.00 0.00 H new ATOM 0 HE ARG A 7 12.098 -9.474 -13.742 1.00 0.00 H new ATOM 0 HH11 ARG A 7 11.884 -5.955 -14.116 1.00 0.00 H new ATOM 0 HH12 ARG A 7 10.194 -5.991 -14.628 1.00 0.00 H new ATOM 0 HH21 ARG A 7 9.912 -9.523 -14.402 1.00 0.00 H new ATOM 0 HH22 ARG A 7 9.074 -8.017 -14.791 1.00 0.00 H new ATOM 140 N LYS A 8 12.624 -8.360 -7.376 1.00 0.00 N ATOM 141 CA LYS A 8 11.807 -8.977 -6.346 1.00 0.00 C ATOM 142 C LYS A 8 10.935 -7.908 -5.683 1.00 0.00 C ATOM 143 O LYS A 8 11.191 -6.704 -5.746 1.00 0.00 O ATOM 144 CB LYS A 8 12.683 -9.754 -5.361 1.00 0.00 C ATOM 145 CG LYS A 8 12.477 -11.262 -5.514 1.00 0.00 C ATOM 146 CD LYS A 8 13.599 -11.886 -6.347 1.00 0.00 C ATOM 147 CE LYS A 8 13.548 -13.414 -6.279 1.00 0.00 C ATOM 148 NZ LYS A 8 14.845 -13.955 -5.814 1.00 0.00 N ATOM 0 H LYS A 8 13.397 -7.794 -7.025 1.00 0.00 H new ATOM 0 HA LYS A 8 11.132 -9.712 -6.785 1.00 0.00 H new ATOM 0 HB2 LYS A 8 13.731 -9.508 -5.529 1.00 0.00 H new ATOM 0 HB3 LYS A 8 12.444 -9.453 -4.341 1.00 0.00 H new ATOM 0 HG2 LYS A 8 12.446 -11.730 -4.530 1.00 0.00 H new ATOM 0 HG3 LYS A 8 11.515 -11.455 -5.990 1.00 0.00 H new ATOM 0 HD2 LYS A 8 13.511 -11.561 -7.384 1.00 0.00 H new ATOM 0 HD3 LYS A 8 14.565 -11.534 -5.984 1.00 0.00 H new ATOM 0 HE2 LYS A 8 12.753 -13.728 -5.603 1.00 0.00 H new ATOM 0 HE3 LYS A 8 13.309 -13.820 -7.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 14.794 -14.993 -5.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 15.596 -13.671 -6.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 15.057 -13.582 -4.867 1.00 0.00 H new HETATM 162 N HYP A 9 9.836 -8.391 -5.007 1.00 0.00 N HETATM 163 CA HYP A 9 8.818 -7.522 -4.383 1.00 0.00 C HETATM 164 C HYP A 9 9.335 -6.511 -3.332 1.00 0.00 C HETATM 165 O HYP A 9 9.989 -6.899 -2.365 1.00 0.00 O HETATM 166 CB HYP A 9 7.829 -8.510 -3.734 1.00 0.00 C HETATM 167 CG HYP A 9 8.044 -9.817 -4.501 1.00 0.00 C HETATM 168 CD HYP A 9 9.559 -9.794 -4.725 1.00 0.00 C HETATM 169 OD1 HYP A 9 7.376 -9.707 -5.747 1.00 0.00 O HETATM 0 HD23 HYP A 9 9.853 -10.437 -5.555 1.00 0.00 H new HETATM 0 HD22 HYP A 9 10.101 -10.142 -3.846 1.00 0.00 H new HETATM 0 HG HYP A 9 7.685 -10.717 -4.003 1.00 0.00 H new HETATM 0 HD1 HYP A 9 7.501 -10.533 -6.259 1.00 0.00 H new HETATM 0 HB3 HYP A 9 8.032 -8.635 -2.670 1.00 0.00 H new HETATM 0 HB2 HYP A 9 6.801 -8.160 -3.824 1.00 0.00 H new HETATM 0 HA HYP A 9 8.388 -6.873 -5.146 1.00 0.00 H new ATOM 177 N THR A 10 8.886 -5.274 -3.486 1.00 0.00 N ATOM 178 CA THR A 10 9.145 -4.254 -2.485 1.00 0.00 C ATOM 179 C THR A 10 7.961 -4.135 -1.524 1.00 0.00 C ATOM 180 O THR A 10 6.941 -4.798 -1.706 1.00 0.00 O ATOM 181 CB THR A 10 9.469 -2.948 -3.214 1.00 0.00 C ATOM 182 OG1 THR A 10 10.253 -3.359 -4.331 1.00 0.00 O ATOM 183 CG2 THR A 10 10.409 -2.047 -2.410 1.00 0.00 C ATOM 0 H THR A 10 8.344 -4.955 -4.289 1.00 0.00 H new ATOM 0 HA THR A 10 10.001 -4.519 -1.864 1.00 0.00 H new ATOM 0 HB THR A 10 8.544 -2.411 -3.426 1.00 0.00 H new ATOM 0 HG1 THR A 10 10.505 -2.574 -4.860 1.00 0.00 H new ATOM 0 HG21 THR A 10 10.607 -1.134 -2.972 1.00 0.00 H new ATOM 0 HG22 THR A 10 9.944 -1.793 -1.458 1.00 0.00 H new ATOM 0 HG23 THR A 10 11.347 -2.571 -2.227 1.00 0.00 H new ATOM 191 N LYS A 11 8.135 -3.287 -0.521 1.00 0.00 N ATOM 192 CA LYS A 11 7.093 -3.074 0.469 1.00 0.00 C ATOM 193 C LYS A 11 6.126 -2.003 -0.038 1.00 0.00 C ATOM 194 O LYS A 11 5.886 -1.006 0.642 1.00 0.00 O ATOM 195 CB LYS A 11 7.707 -2.752 1.832 1.00 0.00 C ATOM 196 CG LYS A 11 6.975 -3.492 2.952 1.00 0.00 C ATOM 197 CD LYS A 11 7.103 -2.744 4.280 1.00 0.00 C ATOM 198 CE LYS A 11 5.891 -3.006 5.178 1.00 0.00 C ATOM 199 NZ LYS A 11 5.943 -2.148 6.382 1.00 0.00 N ATOM 0 H LYS A 11 8.982 -2.739 -0.373 1.00 0.00 H new ATOM 0 HA LYS A 11 6.513 -3.985 0.614 1.00 0.00 H new ATOM 0 HB2 LYS A 11 8.761 -3.031 1.835 1.00 0.00 H new ATOM 0 HB3 LYS A 11 7.661 -1.678 2.011 1.00 0.00 H new ATOM 0 HG2 LYS A 11 5.922 -3.601 2.692 1.00 0.00 H new ATOM 0 HG3 LYS A 11 7.384 -4.497 3.056 1.00 0.00 H new ATOM 0 HD2 LYS A 11 8.013 -3.057 4.791 1.00 0.00 H new ATOM 0 HD3 LYS A 11 7.196 -1.674 4.091 1.00 0.00 H new ATOM 0 HE2 LYS A 11 4.972 -2.811 4.625 1.00 0.00 H new ATOM 0 HE3 LYS A 11 5.869 -4.055 5.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 5.114 -2.338 6.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 6.811 -2.353 6.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 5.941 -1.148 6.096 1.00 0.00 H new ATOM 213 N PHE A 12 5.596 -2.245 -1.228 1.00 0.00 N ATOM 214 CA PHE A 12 4.660 -1.312 -1.835 1.00 0.00 C ATOM 215 C PHE A 12 3.422 -1.129 -0.954 1.00 0.00 C ATOM 216 O PHE A 12 3.203 -0.098 -0.316 1.00 0.00 O ATOM 217 CB PHE A 12 4.234 -1.916 -3.175 1.00 0.00 C ATOM 218 CG PHE A 12 4.935 -1.297 -4.386 1.00 0.00 C ATOM 219 CD1 PHE A 12 4.578 -0.059 -4.820 1.00 0.00 C ATOM 220 CD2 PHE A 12 5.915 -1.987 -5.030 1.00 0.00 C ATOM 221 CE1 PHE A 12 5.229 0.515 -5.944 1.00 0.00 C ATOM 222 CE2 PHE A 12 6.566 -1.413 -6.154 1.00 0.00 C ATOM 223 CZ PHE A 12 6.209 -0.174 -6.588 1.00 0.00 C ATOM 0 H PHE A 12 5.796 -3.073 -1.788 1.00 0.00 H new ATOM 0 HA PHE A 12 5.132 -0.337 -1.960 1.00 0.00 H new ATOM 0 HB2 PHE A 12 4.435 -2.987 -3.160 1.00 0.00 H new ATOM 0 HB3 PHE A 12 3.157 -1.796 -3.290 1.00 0.00 H new ATOM 0 HD1 PHE A 12 3.799 0.488 -4.310 1.00 0.00 H new ATOM 0 HD2 PHE A 12 6.198 -2.971 -4.686 1.00 0.00 H new ATOM 0 HE1 PHE A 12 4.946 1.499 -6.288 1.00 0.00 H new ATOM 0 HE2 PHE A 12 7.345 -1.960 -6.664 1.00 0.00 H new ATOM 0 HZ PHE A 12 6.703 0.262 -7.443 1.00 0.00 H new HETATM 233 N HYP A 13 2.563 -2.207 -0.927 1.00 0.00 N HETATM 234 CA HYP A 13 1.268 -2.197 -0.219 1.00 0.00 C HETATM 235 C HYP A 13 1.004 -0.984 0.706 1.00 0.00 C HETATM 236 O HYP A 13 1.779 -0.723 1.624 1.00 0.00 O HETATM 237 CB HYP A 13 1.277 -3.502 0.601 1.00 0.00 C HETATM 238 CG HYP A 13 2.290 -4.393 -0.123 1.00 0.00 C HETATM 239 CD HYP A 13 3.351 -3.371 -0.543 1.00 0.00 C HETATM 240 OD1 HYP A 13 1.658 -4.925 -1.276 1.00 0.00 O HETATM 0 HD23 HYP A 13 3.957 -3.738 -1.372 1.00 0.00 H new HETATM 0 HD22 HYP A 13 4.035 -3.142 0.275 1.00 0.00 H new HETATM 0 HG HYP A 13 2.684 -5.224 0.461 1.00 0.00 H new HETATM 0 HD1 HYP A 13 2.288 -5.499 -1.759 1.00 0.00 H new HETATM 0 HB3 HYP A 13 1.573 -3.321 1.634 1.00 0.00 H new HETATM 0 HB2 HYP A 13 0.289 -3.962 0.628 1.00 0.00 H new HETATM 0 HA HYP A 13 0.465 -2.118 -0.951 1.00 0.00 H new ATOM 248 N ILE A 14 -0.165 -0.388 0.518 1.00 0.00 N ATOM 249 CA ILE A 14 -0.626 0.655 1.419 1.00 0.00 C ATOM 250 C ILE A 14 -1.534 0.037 2.484 1.00 0.00 C ATOM 251 O ILE A 14 -2.420 -0.779 2.216 1.00 0.00 O ATOM 252 CB ILE A 14 -1.284 1.790 0.632 1.00 0.00 C ATOM 253 CG1 ILE A 14 -0.579 2.010 -0.707 1.00 0.00 C ATOM 254 CG2 ILE A 14 -1.345 3.072 1.465 1.00 0.00 C ATOM 255 CD1 ILE A 14 -1.346 1.337 -1.848 1.00 0.00 C ATOM 0 H ILE A 14 -0.806 -0.607 -0.244 1.00 0.00 H new ATOM 0 HA ILE A 14 0.216 1.108 1.942 1.00 0.00 H new ATOM 0 HB ILE A 14 -2.311 1.501 0.411 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -0.490 3.078 -0.904 1.00 0.00 H new ATOM 0 HG13 ILE A 14 0.434 1.610 -0.659 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -1.817 3.863 0.882 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -1.927 2.891 2.369 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -0.335 3.377 1.738 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -0.823 1.509 -2.789 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -1.412 0.265 -1.660 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -2.350 1.757 -1.909 1.00 0.00 H new HETATM 267 N HYP A 15 -1.292 0.459 3.772 1.00 0.00 N HETATM 268 CA HYP A 15 -1.990 -0.085 4.953 1.00 0.00 C HETATM 269 C HYP A 15 -3.525 -0.244 4.827 1.00 0.00 C HETATM 270 O HYP A 15 -4.140 0.357 3.947 1.00 0.00 O HETATM 271 CB HYP A 15 -1.646 0.904 6.083 1.00 0.00 C HETATM 272 CG HYP A 15 -0.362 1.588 5.606 1.00 0.00 C HETATM 273 CD HYP A 15 -0.623 1.713 4.103 1.00 0.00 C HETATM 274 OD1 HYP A 15 0.717 0.697 5.831 1.00 0.00 O HETATM 0 HD23 HYP A 15 0.304 1.834 3.543 1.00 0.00 H new HETATM 0 HD22 HYP A 15 -1.249 2.575 3.874 1.00 0.00 H new HETATM 0 HG HYP A 15 -0.126 2.534 6.093 1.00 0.00 H new HETATM 0 HD1 HYP A 15 1.552 1.113 5.531 1.00 0.00 H new HETATM 0 HB3 HYP A 15 -2.448 1.626 6.238 1.00 0.00 H new HETATM 0 HB2 HYP A 15 -1.494 0.388 7.031 1.00 0.00 H new HETATM 0 HA HYP A 15 -1.657 -1.109 5.120 1.00 0.00 H new ATOM 282 N SER A 16 -4.094 -0.925 5.810 1.00 0.00 N ATOM 283 CA SER A 16 -5.540 -1.012 5.920 1.00 0.00 C ATOM 284 C SER A 16 -6.091 -1.953 4.847 1.00 0.00 C ATOM 285 O SER A 16 -5.402 -2.390 3.922 1.00 0.00 O ATOM 286 CB SER A 16 -6.187 0.369 5.798 1.00 0.00 C ATOM 287 OG SER A 16 -5.257 1.417 6.056 1.00 0.00 O ATOM 0 H SER A 16 -3.580 -1.422 6.538 1.00 0.00 H new ATOM 0 HA SER A 16 -5.784 -1.411 6.905 1.00 0.00 H new ATOM 0 HB2 SER A 16 -6.600 0.489 4.796 1.00 0.00 H new ATOM 0 HB3 SER A 16 -7.020 0.443 6.497 1.00 0.00 H new ATOM 0 HG SER A 16 -4.782 1.644 5.229 1.00 0.00 H new HETATM 293 N HYP A 17 -7.422 -2.280 4.987 1.00 0.00 N HETATM 294 CA HYP A 17 -8.119 -3.246 4.116 1.00 0.00 C HETATM 295 C HYP A 17 -8.174 -2.892 2.610 1.00 0.00 C HETATM 296 O HYP A 17 -7.664 -1.852 2.197 1.00 0.00 O HETATM 297 CB HYP A 17 -9.544 -3.320 4.700 1.00 0.00 C HETATM 298 CG HYP A 17 -9.382 -2.844 6.146 1.00 0.00 C HETATM 299 CD HYP A 17 -8.333 -1.739 5.988 1.00 0.00 C HETATM 300 OD1 HYP A 17 -8.838 -3.914 6.900 1.00 0.00 O HETATM 0 HD23 HYP A 17 -7.821 -1.533 6.928 1.00 0.00 H new HETATM 0 HD22 HYP A 17 -8.782 -0.802 5.658 1.00 0.00 H new HETATM 0 HG HYP A 17 -10.298 -2.516 6.637 1.00 0.00 H new HETATM 0 HD1 HYP A 17 -8.723 -3.632 7.832 1.00 0.00 H new HETATM 0 HB3 HYP A 17 -10.235 -2.684 4.146 1.00 0.00 H new HETATM 0 HB2 HYP A 17 -9.940 -4.335 4.657 1.00 0.00 H new HETATM 0 HA HYP A 17 -7.570 -4.187 4.120 1.00 0.00 H new ATOM 308 N ASN A 18 -8.928 -3.699 1.878 1.00 0.00 N ATOM 309 CA ASN A 18 -9.214 -3.399 0.485 1.00 0.00 C ATOM 310 C ASN A 18 -9.908 -4.600 -0.159 1.00 0.00 C ATOM 311 O ASN A 18 -10.965 -4.504 -0.788 1.00 0.00 O ATOM 312 CB ASN A 18 -7.927 -3.122 -0.293 1.00 0.00 C ATOM 313 CG ASN A 18 -8.040 -1.823 -1.094 1.00 0.00 C ATOM 314 OD1 ASN A 18 -7.863 -0.731 -0.582 1.00 0.00 O ATOM 315 ND2 ASN A 18 -8.343 -2.004 -2.377 1.00 0.00 N ATOM 0 H ASN A 18 -9.350 -4.561 2.224 1.00 0.00 H new ATOM 0 HA ASN A 18 -9.851 -2.515 0.454 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -7.087 -3.055 0.398 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -7.720 -3.953 -0.968 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -8.440 -1.200 -2.996 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -8.478 -2.947 -2.741 1.00 0.00 H new HETATM 322 N HYP A 19 -9.265 -5.806 0.014 1.00 0.00 N HETATM 323 CA HYP A 19 -9.715 -7.067 -0.608 1.00 0.00 C HETATM 324 C HYP A 19 -11.136 -7.546 -0.227 1.00 0.00 C HETATM 325 O HYP A 19 -11.336 -8.101 0.854 1.00 0.00 O HETATM 326 CB HYP A 19 -8.664 -8.102 -0.164 1.00 0.00 C HETATM 327 CG HYP A 19 -7.433 -7.262 0.188 1.00 0.00 C HETATM 328 CD HYP A 19 -8.078 -6.031 0.832 1.00 0.00 C HETATM 329 OD1 HYP A 19 -6.797 -6.890 -1.024 1.00 0.00 O HETATM 0 HD23 HYP A 19 -7.409 -5.171 0.814 1.00 0.00 H new HETATM 0 HD22 HYP A 19 -8.337 -6.212 1.875 1.00 0.00 H new HETATM 0 HG HYP A 19 -6.694 -7.754 0.820 1.00 0.00 H new HETATM 0 HD1 HYP A 19 -6.005 -6.349 -0.825 1.00 0.00 H new HETATM 0 HB3 HYP A 19 -9.011 -8.679 0.693 1.00 0.00 H new HETATM 0 HB2 HYP A 19 -8.446 -8.814 -0.960 1.00 0.00 H new HETATM 0 HA HYP A 19 -9.792 -6.923 -1.686 1.00 0.00 H new ATOM 337 N ARG A 20 -12.033 -7.451 -1.198 1.00 0.00 N ATOM 338 CA ARG A 20 -13.362 -8.016 -1.047 1.00 0.00 C ATOM 339 C ARG A 20 -13.756 -8.061 0.431 1.00 0.00 C ATOM 340 O ARG A 20 -14.252 -9.077 0.914 1.00 0.00 O ATOM 341 CB ARG A 20 -13.429 -9.430 -1.629 1.00 0.00 C ATOM 342 CG ARG A 20 -12.389 -10.341 -0.975 1.00 0.00 C ATOM 343 CD ARG A 20 -12.364 -11.715 -1.646 1.00 0.00 C ATOM 344 NE ARG A 20 -12.015 -12.758 -0.656 1.00 0.00 N ATOM 345 CZ ARG A 20 -12.767 -13.062 0.412 1.00 0.00 C ATOM 346 NH1 ARG A 20 -13.914 -12.405 0.631 1.00 0.00 N ATOM 347 NH2 ARG A 20 -12.372 -14.022 1.257 1.00 0.00 N ATOM 0 H ARG A 20 -11.865 -6.991 -2.093 1.00 0.00 H new ATOM 0 HA ARG A 20 -14.057 -7.377 -1.592 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -14.426 -9.843 -1.477 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -13.260 -9.393 -2.705 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -11.403 -9.881 -1.043 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -12.615 -10.454 0.085 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -13.338 -11.931 -2.086 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -11.639 -11.718 -2.460 1.00 0.00 H new ATOM 0 HE ARG A 20 -11.149 -13.278 -0.795 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -14.214 -11.674 -0.014 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -14.487 -12.635 1.443 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -11.499 -14.522 1.089 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -12.944 -14.253 2.069 1.00 0.00 H new ATOM 361 N ASP A 21 -13.519 -6.947 1.107 1.00 0.00 N ATOM 362 CA ASP A 21 -13.842 -6.845 2.520 1.00 0.00 C ATOM 363 C ASP A 21 -14.706 -5.604 2.754 1.00 0.00 C ATOM 364 O ASP A 21 -14.298 -4.490 2.429 1.00 0.00 O ATOM 365 CB ASP A 21 -12.576 -6.707 3.367 1.00 0.00 C ATOM 366 CG ASP A 21 -12.772 -6.010 4.714 1.00 0.00 C ATOM 367 OD1 ASP A 21 -13.052 -4.792 4.688 1.00 0.00 O ATOM 368 OD2 ASP A 21 -12.637 -6.711 5.740 1.00 0.00 O ATOM 0 H ASP A 21 -13.107 -6.106 0.702 1.00 0.00 H new ATOM 0 HA ASP A 21 -14.372 -7.752 2.810 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -12.166 -7.701 3.546 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -11.832 -6.154 2.794 1.00 0.00 H new ATOM 373 N LYS A 22 -15.882 -5.838 3.316 1.00 0.00 N ATOM 374 CA LYS A 22 -16.807 -4.752 3.598 1.00 0.00 C ATOM 375 C LYS A 22 -17.237 -4.101 2.281 1.00 0.00 C ATOM 376 O LYS A 22 -17.846 -3.033 2.284 1.00 0.00 O ATOM 377 CB LYS A 22 -16.190 -3.770 4.597 1.00 0.00 C ATOM 378 CG LYS A 22 -17.243 -3.261 5.584 1.00 0.00 C ATOM 379 CD LYS A 22 -16.873 -3.637 7.020 1.00 0.00 C ATOM 380 CE LYS A 22 -16.385 -2.414 7.800 1.00 0.00 C ATOM 381 NZ LYS A 22 -16.370 -2.697 9.252 1.00 0.00 N ATOM 0 H LYS A 22 -16.217 -6.764 3.584 1.00 0.00 H new ATOM 0 HA LYS A 22 -17.710 -5.133 4.076 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -15.382 -4.258 5.141 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -15.751 -2.928 4.062 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -17.333 -2.178 5.499 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -18.216 -3.682 5.333 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -17.739 -4.070 7.521 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -16.095 -4.401 7.011 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -15.384 -2.139 7.467 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -17.034 -1.563 7.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -16.036 -1.857 9.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -17.331 -2.938 9.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -15.732 -3.496 9.443 1.00 0.00 H new ATOM 395 N TRP A 23 -16.905 -4.772 1.189 1.00 0.00 N ATOM 396 CA TRP A 23 -17.250 -4.273 -0.130 1.00 0.00 C ATOM 397 C TRP A 23 -18.768 -4.371 -0.292 1.00 0.00 C ATOM 398 O TRP A 23 -19.453 -4.916 0.574 1.00 0.00 O ATOM 399 CB TRP A 23 -16.483 -5.026 -1.219 1.00 0.00 C ATOM 400 CG TRP A 23 -17.371 -5.878 -2.129 1.00 0.00 C ATOM 401 CD1 TRP A 23 -17.957 -7.050 -1.848 1.00 0.00 C ATOM 402 CD2 TRP A 23 -17.750 -5.576 -3.488 1.00 0.00 C ATOM 403 NE1 TRP A 23 -18.684 -7.523 -2.921 1.00 0.00 N ATOM 404 CE2 TRP A 23 -18.555 -6.597 -3.950 1.00 0.00 C ATOM 405 CE3 TRP A 23 -17.426 -4.475 -4.300 1.00 0.00 C ATOM 406 CZ2 TRP A 23 -19.101 -6.620 -5.238 1.00 0.00 C ATOM 407 CZ3 TRP A 23 -17.980 -4.512 -5.585 1.00 0.00 C ATOM 408 CH2 TRP A 23 -18.791 -5.533 -6.065 1.00 0.00 C ATOM 0 H TRP A 23 -16.400 -5.658 1.191 1.00 0.00 H new ATOM 0 HA TRP A 23 -16.956 -3.229 -0.235 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -15.939 -4.306 -1.830 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -15.740 -5.669 -0.747 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -17.871 -7.560 -0.900 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -19.218 -8.392 -2.953 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -16.799 -3.664 -3.959 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -19.728 -7.432 -5.576 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -17.762 -3.689 -6.250 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -19.181 -5.489 -7.071 1.00 0.00 H new ATOM 419 N CYS A 24 -19.249 -3.836 -1.404 1.00 0.00 N ATOM 420 CA CYS A 24 -20.673 -3.857 -1.689 1.00 0.00 C ATOM 421 C CYS A 24 -20.980 -2.739 -2.687 1.00 0.00 C ATOM 422 O CYS A 24 -21.656 -1.769 -2.350 1.00 0.00 O ATOM 423 CB CYS A 24 -21.508 -3.727 -0.412 1.00 0.00 C ATOM 424 SG CYS A 24 -20.867 -2.520 0.804 1.00 0.00 S ATOM 0 H CYS A 24 -18.678 -3.385 -2.119 1.00 0.00 H new ATOM 0 HA CYS A 24 -20.944 -4.818 -2.126 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -22.523 -3.441 -0.686 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -21.570 -4.705 0.066 1.00 0.00 H new ATOM 429 N ARG A 25 -20.469 -2.914 -3.897 1.00 0.00 N ATOM 430 CA ARG A 25 -20.679 -1.932 -4.948 1.00 0.00 C ATOM 431 C ARG A 25 -21.906 -2.302 -5.782 1.00 0.00 C ATOM 432 O ARG A 25 -22.527 -1.437 -6.397 1.00 0.00 O ATOM 433 CB ARG A 25 -19.458 -1.835 -5.864 1.00 0.00 C ATOM 434 CG ARG A 25 -19.299 -0.419 -6.419 1.00 0.00 C ATOM 435 CD ARG A 25 -18.543 -0.432 -7.749 1.00 0.00 C ATOM 436 NE ARG A 25 -18.517 0.929 -8.331 1.00 0.00 N ATOM 437 CZ ARG A 25 -17.672 1.894 -7.944 1.00 0.00 C ATOM 438 NH1 ARG A 25 -16.778 1.655 -6.975 1.00 0.00 N ATOM 439 NH2 ARG A 25 -17.720 3.099 -8.529 1.00 0.00 N ATOM 0 H ARG A 25 -19.910 -3.721 -4.173 1.00 0.00 H new ATOM 0 HA ARG A 25 -20.838 -0.965 -4.471 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -18.561 -2.115 -5.311 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -19.559 -2.543 -6.687 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -20.281 0.033 -6.559 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -18.764 0.200 -5.699 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -17.525 -0.790 -7.594 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -19.022 -1.124 -8.442 1.00 0.00 H new ATOM 0 HE ARG A 25 -19.183 1.145 -9.072 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -16.740 0.737 -6.531 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -16.135 2.391 -6.681 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -18.399 3.280 -9.268 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -17.077 3.834 -8.235 1.00 0.00 H new ATOM 453 N LEU A 26 -22.220 -3.589 -5.775 1.00 0.00 N ATOM 454 CA LEU A 26 -23.363 -4.085 -6.525 1.00 0.00 C ATOM 455 C LEU A 26 -24.110 -5.119 -5.680 1.00 0.00 C ATOM 456 O LEU A 26 -23.810 -5.297 -4.502 1.00 0.00 O ATOM 457 CB LEU A 26 -22.920 -4.609 -7.892 1.00 0.00 C ATOM 458 CG LEU A 26 -22.532 -3.549 -8.924 1.00 0.00 C ATOM 459 CD1 LEU A 26 -21.024 -3.295 -8.908 1.00 0.00 C ATOM 460 CD2 LEU A 26 -23.035 -3.931 -10.318 1.00 0.00 C ATOM 0 H LEU A 26 -21.704 -4.304 -5.262 1.00 0.00 H new ATOM 0 HA LEU A 26 -24.064 -3.277 -6.733 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -22.068 -5.273 -7.745 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -23.728 -5.212 -8.307 1.00 0.00 H new ATOM 0 HG LEU A 26 -23.019 -2.612 -8.652 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -20.775 -2.537 -9.651 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -20.724 -2.947 -7.920 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -20.497 -4.220 -9.142 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -22.746 -3.161 -11.033 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -22.597 -4.884 -10.614 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -24.121 -4.021 -10.301 1.00 0.00 H new ATOM 472 N ASN A 27 -25.069 -5.775 -6.319 1.00 0.00 N ATOM 473 CA ASN A 27 -25.861 -6.787 -5.642 1.00 0.00 C ATOM 474 C ASN A 27 -24.944 -7.650 -4.773 1.00 0.00 C ATOM 475 O ASN A 27 -24.075 -8.353 -5.289 1.00 0.00 O ATOM 476 CB ASN A 27 -26.559 -7.704 -6.648 1.00 0.00 C ATOM 477 CG ASN A 27 -27.434 -8.737 -5.934 1.00 0.00 C ATOM 478 OD1 ASN A 27 -28.537 -8.458 -5.495 1.00 0.00 O ATOM 479 ND2 ASN A 27 -26.880 -9.944 -5.843 1.00 0.00 N ATOM 0 H ASN A 27 -25.315 -5.625 -7.298 1.00 0.00 H new ATOM 0 HA ASN A 27 -26.611 -6.278 -5.036 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -27.172 -7.108 -7.324 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -25.814 -8.213 -7.259 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -27.384 -10.703 -5.384 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -25.952 -10.110 -6.232 1.00 0.00 H new ATOM 486 N LEU A 28 -25.168 -7.570 -3.470 1.00 0.00 N ATOM 487 CA LEU A 28 -24.372 -8.334 -2.525 1.00 0.00 C ATOM 488 C LEU A 28 -24.940 -9.752 -2.416 1.00 0.00 C ATOM 489 O LEU A 28 -25.716 -10.181 -3.269 1.00 0.00 O ATOM 490 CB LEU A 28 -24.283 -7.603 -1.184 1.00 0.00 C ATOM 491 CG LEU A 28 -22.917 -7.632 -0.495 1.00 0.00 C ATOM 492 CD1 LEU A 28 -21.846 -6.980 -1.371 1.00 0.00 C ATOM 493 CD2 LEU A 28 -22.991 -6.990 0.892 1.00 0.00 C ATOM 0 H LEU A 28 -25.890 -6.987 -3.046 1.00 0.00 H new ATOM 0 HA LEU A 28 -23.345 -8.427 -2.879 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -24.567 -6.562 -1.340 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -25.019 -8.036 -0.507 1.00 0.00 H new ATOM 0 HG LEU A 28 -22.627 -8.673 -0.355 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -20.885 -7.014 -0.857 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -21.772 -7.518 -2.316 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -22.117 -5.942 -1.565 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -22.008 -7.023 1.361 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -23.313 -5.953 0.796 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -23.705 -7.536 1.508 1.00 0.00 H new ATOM 505 N GLY A 29 -24.533 -10.438 -1.358 1.00 0.00 N ATOM 506 CA GLY A 29 -24.992 -11.797 -1.127 1.00 0.00 C ATOM 507 C GLY A 29 -26.462 -11.815 -0.706 1.00 0.00 C ATOM 508 O GLY A 29 -27.170 -10.807 -0.664 1.00 0.00 O ATOM 0 H GLY A 29 -23.891 -10.078 -0.652 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -24.863 -12.387 -2.034 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -24.383 -12.264 -0.353 1.00 0.00 H new ATOM 512 N PRO A 30 -26.946 -13.030 -0.377 1.00 0.00 N ATOM 513 CA PRO A 30 -28.389 -13.253 -0.100 1.00 0.00 C ATOM 514 C PRO A 30 -29.032 -12.460 1.089 1.00 0.00 C ATOM 515 O PRO A 30 -29.843 -13.115 1.742 1.00 0.00 O ATOM 516 CB PRO A 30 -28.419 -14.791 0.054 1.00 0.00 C ATOM 517 CG PRO A 30 -27.011 -15.194 0.513 1.00 0.00 C ATOM 518 CD PRO A 30 -26.081 -14.208 -0.194 1.00 0.00 C ATOM 0 HA PRO A 30 -29.025 -12.855 -0.890 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -29.170 -15.096 0.783 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -28.676 -15.273 -0.889 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -26.912 -15.126 1.596 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -26.783 -16.223 0.236 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -25.202 -13.977 0.407 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -25.722 -14.600 -1.146 1.00 0.00 H new ATOM 526 N ALA A 31 -28.714 -11.199 1.338 1.00 0.00 N ATOM 527 CA ALA A 31 -29.324 -10.476 2.441 1.00 0.00 C ATOM 528 C ALA A 31 -28.871 -9.015 2.402 1.00 0.00 C ATOM 529 O ALA A 31 -28.690 -8.389 3.444 1.00 0.00 O ATOM 530 CB ALA A 31 -28.966 -11.161 3.761 1.00 0.00 C ATOM 0 H ALA A 31 -28.041 -10.658 0.794 1.00 0.00 H new ATOM 0 HA ALA A 31 -30.410 -10.487 2.351 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -29.424 -10.619 4.588 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -29.336 -12.186 3.751 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -27.883 -11.167 3.886 1.00 0.00 H new ATOM 536 N TRP A 32 -28.701 -8.515 1.186 1.00 0.00 N ATOM 537 CA TRP A 32 -28.273 -7.139 0.997 1.00 0.00 C ATOM 538 C TRP A 32 -29.047 -6.562 -0.190 1.00 0.00 C ATOM 539 O TRP A 32 -30.148 -7.017 -0.498 1.00 0.00 O ATOM 540 CB TRP A 32 -26.756 -7.057 0.818 1.00 0.00 C ATOM 541 CG TRP A 32 -26.072 -6.057 1.753 1.00 0.00 C ATOM 542 CD1 TRP A 32 -26.115 -4.718 1.702 1.00 0.00 C ATOM 543 CD2 TRP A 32 -25.237 -6.372 2.886 1.00 0.00 C ATOM 544 NE1 TRP A 32 -25.370 -4.150 2.716 1.00 0.00 N ATOM 545 CE2 TRP A 32 -24.821 -5.188 3.460 1.00 0.00 C ATOM 546 CE3 TRP A 32 -24.847 -7.617 3.410 1.00 0.00 C ATOM 547 CZ2 TRP A 32 -23.992 -5.131 4.586 1.00 0.00 C ATOM 548 CZ3 TRP A 32 -24.018 -7.543 4.537 1.00 0.00 C ATOM 549 CH2 TRP A 32 -23.590 -6.360 5.125 1.00 0.00 C ATOM 0 H TRP A 32 -28.852 -9.038 0.323 1.00 0.00 H new ATOM 0 HA TRP A 32 -28.495 -6.541 1.881 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -26.327 -8.045 0.983 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -26.537 -6.783 -0.214 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -26.663 -4.155 0.961 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -25.245 -3.152 2.888 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -25.161 -8.556 2.978 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -23.679 -4.191 5.016 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -23.689 -8.471 4.980 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -22.950 -6.387 5.994 1.00 0.00 H new ATOM 560 N GLY A 33 -28.442 -5.569 -0.824 1.00 0.00 N ATOM 561 CA GLY A 33 -29.060 -4.925 -1.970 1.00 0.00 C ATOM 562 C GLY A 33 -29.315 -3.442 -1.695 1.00 0.00 C ATOM 563 O GLY A 33 -29.877 -3.087 -0.660 1.00 0.00 O ATOM 0 H GLY A 33 -27.529 -5.194 -0.565 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -28.415 -5.031 -2.842 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -30.001 -5.422 -2.207 1.00 0.00 H new ATOM 567 N GLY A 34 -28.890 -2.615 -2.639 1.00 0.00 N ATOM 568 CA GLY A 34 -29.066 -1.179 -2.511 1.00 0.00 C ATOM 569 C GLY A 34 -27.961 -0.566 -1.647 1.00 0.00 C ATOM 570 O GLY A 34 -26.807 -0.495 -2.067 1.00 0.00 O ATOM 0 H GLY A 34 -28.424 -2.913 -3.496 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -29.058 -0.718 -3.499 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -30.039 -0.966 -2.068 1.00 0.00 H new ATOM 574 N ARG A 35 -28.354 -0.140 -0.456 1.00 0.00 N ATOM 575 CA ARG A 35 -27.412 0.464 0.471 1.00 0.00 C ATOM 576 C ARG A 35 -26.298 -0.527 0.816 1.00 0.00 C ATOM 577 O ARG A 35 -26.440 -1.332 1.735 1.00 0.00 O ATOM 578 CB ARG A 35 -28.111 0.903 1.760 1.00 0.00 C ATOM 579 CG ARG A 35 -28.369 2.411 1.757 1.00 0.00 C ATOM 580 CD ARG A 35 -27.959 3.039 3.090 1.00 0.00 C ATOM 581 NE ARG A 35 -27.380 4.382 2.861 1.00 0.00 N ATOM 582 CZ ARG A 35 -26.123 4.598 2.449 1.00 0.00 C ATOM 583 NH1 ARG A 35 -25.307 3.560 2.219 1.00 0.00 N ATOM 584 NH2 ARG A 35 -25.684 5.850 2.268 1.00 0.00 N ATOM 0 H ARG A 35 -29.312 -0.201 -0.111 1.00 0.00 H new ATOM 0 HA ARG A 35 -26.986 1.342 -0.015 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -29.055 0.369 1.866 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -27.496 0.637 2.620 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -27.812 2.877 0.944 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -29.426 2.603 1.570 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -28.825 3.115 3.747 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -27.232 2.402 3.593 1.00 0.00 H new ATOM 0 HE ARG A 35 -27.975 5.194 3.027 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -25.643 2.607 2.357 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -24.350 3.723 1.905 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -26.306 6.639 2.444 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -24.727 6.015 1.954 1.00 0.00 H new ATOM 598 N CYS A 36 -25.213 -0.434 0.060 1.00 0.00 N ATOM 599 CA CYS A 36 -24.075 -1.312 0.275 1.00 0.00 C ATOM 600 C CYS A 36 -24.585 -2.753 0.332 1.00 0.00 C ATOM 601 O CYS A 36 -25.238 -3.223 -0.597 1.00 0.00 O ATOM 602 CB CYS A 36 -23.296 -0.930 1.534 1.00 0.00 C ATOM 603 SG CYS A 36 -22.247 -2.264 2.221 1.00 0.00 S ATOM 0 H CYS A 36 -25.098 0.235 -0.701 1.00 0.00 H new ATOM 0 HA CYS A 36 -23.371 -1.210 -0.551 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -22.665 -0.071 1.307 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -24.004 -0.612 2.300 1.00 0.00 H new TER 608 CYS A 36