USER MOD reduce.3.24.130724 H: found=0, std=0, add=296, rem=0, adj=8 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+ 165:sc= 0 (180deg=-0.223) USER MOD Single : A 6 ASN : amide:sc= -0.372 K(o=-0.37,f=-2.3!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 HYP OD1 : rot -160:sc= 0 USER MOD Single : A 10 THR OG1 : rot -170:sc= -0.341 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 66:sc= 1.19 USER MOD Single : A 17 HYP OD1 : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc=-0.00809 X(o=-0.0081,f=0.47) 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= -0.0571 K(o=-0.057,f=-1.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N TRP A 1 25.762 10.868 4.692 1.00 0.00 N ATOM 2 CA TRP A 1 24.972 9.723 4.272 1.00 0.00 C ATOM 3 C TRP A 1 23.910 10.217 3.288 1.00 0.00 C ATOM 4 O TRP A 1 22.740 9.854 3.398 1.00 0.00 O ATOM 5 CB TRP A 1 24.376 8.996 5.479 1.00 0.00 C ATOM 6 CG TRP A 1 25.073 7.676 5.816 1.00 0.00 C ATOM 7 CD1 TRP A 1 25.560 7.279 7.000 1.00 0.00 C ATOM 8 CD2 TRP A 1 25.340 6.588 4.906 1.00 0.00 C ATOM 9 NE1 TRP A 1 26.120 6.020 6.919 1.00 0.00 N ATOM 10 CE2 TRP A 1 25.983 5.587 5.606 1.00 0.00 C ATOM 11 CE3 TRP A 1 25.050 6.455 3.537 1.00 0.00 C ATOM 12 CZ2 TRP A 1 26.389 4.381 5.021 1.00 0.00 C ATOM 13 CZ3 TRP A 1 25.462 5.245 2.967 1.00 0.00 C ATOM 14 CH2 TRP A 1 26.110 4.226 3.657 1.00 0.00 C ATOM 0 H1 TRP A 1 26.315 10.617 5.537 1.00 0.00 H new ATOM 0 H2 TRP A 1 26.408 11.144 3.925 1.00 0.00 H new ATOM 0 H3 TRP A 1 25.130 11.663 4.915 1.00 0.00 H new ATOM 0 HA TRP A 1 25.598 8.986 3.768 1.00 0.00 H new ATOM 0 HB2 TRP A 1 24.426 9.653 6.347 1.00 0.00 H new ATOM 0 HB3 TRP A 1 23.321 8.800 5.288 1.00 0.00 H new ATOM 0 HD1 TRP A 1 25.519 7.870 7.903 1.00 0.00 H new ATOM 0 HE1 TRP A 1 26.555 5.502 7.683 1.00 0.00 H new ATOM 0 HE3 TRP A 1 24.549 7.226 2.970 1.00 0.00 H new ATOM 0 HZ2 TRP A 1 26.890 3.612 5.591 1.00 0.00 H new ATOM 0 HZ3 TRP A 1 25.263 5.092 1.917 1.00 0.00 H new ATOM 0 HH2 TRP A 1 26.397 3.320 3.144 1.00 0.00 H new ATOM 25 N GLU A 2 24.355 11.036 2.347 1.00 0.00 N ATOM 26 CA GLU A 2 23.458 11.583 1.345 1.00 0.00 C ATOM 27 C GLU A 2 22.152 12.043 1.996 1.00 0.00 C ATOM 28 O GLU A 2 22.085 12.210 3.212 1.00 0.00 O ATOM 29 CB GLU A 2 23.189 10.565 0.235 1.00 0.00 C ATOM 30 CG GLU A 2 22.271 9.445 0.729 1.00 0.00 C ATOM 31 CD GLU A 2 21.761 8.598 -0.438 1.00 0.00 C ATOM 32 OE1 GLU A 2 21.024 9.165 -1.272 1.00 0.00 O ATOM 33 OE2 GLU A 2 22.122 7.401 -0.470 1.00 0.00 O ATOM 0 H GLU A 2 25.326 11.334 2.258 1.00 0.00 H new ATOM 0 HA GLU A 2 23.939 12.449 0.889 1.00 0.00 H new ATOM 0 HB2 GLU A 2 22.732 11.065 -0.619 1.00 0.00 H new ATOM 0 HB3 GLU A 2 24.132 10.141 -0.111 1.00 0.00 H new ATOM 0 HG2 GLU A 2 22.811 8.812 1.434 1.00 0.00 H new ATOM 0 HG3 GLU A 2 21.426 9.874 1.268 1.00 0.00 H new ATOM 40 N TRP A 3 21.146 12.236 1.155 1.00 0.00 N ATOM 41 CA TRP A 3 19.845 12.673 1.634 1.00 0.00 C ATOM 42 C TRP A 3 19.349 11.650 2.658 1.00 0.00 C ATOM 43 O TRP A 3 19.596 10.444 2.587 1.00 0.00 O ATOM 44 CB TRP A 3 18.872 12.875 0.470 1.00 0.00 C ATOM 45 CG TRP A 3 18.591 14.343 0.141 1.00 0.00 C ATOM 46 CD1 TRP A 3 17.448 14.885 -0.297 1.00 0.00 C ATOM 47 CD2 TRP A 3 19.525 15.439 0.240 1.00 0.00 C ATOM 48 NE1 TRP A 3 17.574 16.247 -0.486 1.00 0.00 N ATOM 49 CE2 TRP A 3 18.877 16.594 -0.148 1.00 0.00 C ATOM 50 CE3 TRP A 3 20.870 15.455 0.646 1.00 0.00 C ATOM 51 CZ2 TRP A 3 19.496 17.850 -0.170 1.00 0.00 C ATOM 52 CZ3 TRP A 3 21.475 16.717 0.619 1.00 0.00 C ATOM 53 CH2 TRP A 3 20.837 17.890 0.231 1.00 0.00 C ATOM 0 H TRP A 3 21.205 12.098 0.146 1.00 0.00 H new ATOM 0 HA TRP A 3 19.920 13.645 2.122 1.00 0.00 H new ATOM 0 HB2 TRP A 3 19.275 12.385 -0.416 1.00 0.00 H new ATOM 0 HB3 TRP A 3 17.930 12.380 0.707 1.00 0.00 H new ATOM 0 HD1 TRP A 3 16.541 14.327 -0.480 1.00 0.00 H new ATOM 0 HE1 TRP A 3 16.845 16.881 -0.813 1.00 0.00 H new ATOM 0 HE3 TRP A 3 21.396 14.564 0.955 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 18.968 18.740 -0.480 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 22.510 16.784 0.921 1.00 0.00 H new ATOM 0 HH2 TRP A 3 21.373 18.827 0.239 1.00 0.00 H new ATOM 64 N PRO A 4 18.609 12.161 3.662 1.00 0.00 N ATOM 65 CA PRO A 4 18.182 11.336 4.823 1.00 0.00 C ATOM 66 C PRO A 4 17.164 10.177 4.555 1.00 0.00 C ATOM 67 O PRO A 4 16.554 9.810 5.558 1.00 0.00 O ATOM 68 CB PRO A 4 17.678 12.435 5.786 1.00 0.00 C ATOM 69 CG PRO A 4 17.243 13.606 4.897 1.00 0.00 C ATOM 70 CD PRO A 4 18.224 13.581 3.724 1.00 0.00 C ATOM 0 HA PRO A 4 18.992 10.718 5.210 1.00 0.00 H new ATOM 0 HB2 PRO A 4 16.846 12.073 6.390 1.00 0.00 H new ATOM 0 HB3 PRO A 4 18.464 12.740 6.476 1.00 0.00 H new ATOM 0 HG2 PRO A 4 16.214 13.485 4.557 1.00 0.00 H new ATOM 0 HG3 PRO A 4 17.292 14.553 5.435 1.00 0.00 H new ATOM 0 HD2 PRO A 4 17.758 13.916 2.798 1.00 0.00 H new ATOM 0 HD3 PRO A 4 19.084 14.227 3.900 1.00 0.00 H new ATOM 78 N TRP A 5 17.002 9.656 3.347 1.00 0.00 N ATOM 79 CA TRP A 5 16.058 8.575 3.118 1.00 0.00 C ATOM 80 C TRP A 5 14.785 8.885 3.909 1.00 0.00 C ATOM 81 O TRP A 5 14.091 7.973 4.356 1.00 0.00 O ATOM 82 CB TRP A 5 16.673 7.223 3.482 1.00 0.00 C ATOM 83 CG TRP A 5 18.128 7.307 3.950 1.00 0.00 C ATOM 84 CD1 TRP A 5 19.211 7.617 3.226 1.00 0.00 C ATOM 85 CD2 TRP A 5 18.616 7.062 5.286 1.00 0.00 C ATOM 86 NE1 TRP A 5 20.357 7.590 3.994 1.00 0.00 N ATOM 87 CE2 TRP A 5 19.984 7.243 5.287 1.00 0.00 C ATOM 88 CE3 TRP A 5 17.924 6.701 6.456 1.00 0.00 C ATOM 89 CZ2 TRP A 5 20.777 7.084 6.429 1.00 0.00 C ATOM 90 CZ3 TRP A 5 18.731 6.546 7.589 1.00 0.00 C ATOM 91 CH2 TRP A 5 20.110 6.724 7.606 1.00 0.00 C ATOM 0 H TRP A 5 17.509 9.963 2.517 1.00 0.00 H new ATOM 0 HA TRP A 5 15.803 8.503 2.061 1.00 0.00 H new ATOM 0 HB2 TRP A 5 16.075 6.763 4.269 1.00 0.00 H new ATOM 0 HB3 TRP A 5 16.618 6.565 2.615 1.00 0.00 H new ATOM 0 HD1 TRP A 5 19.190 7.858 2.173 1.00 0.00 H new ATOM 0 HE1 TRP A 5 21.304 7.788 3.672 1.00 0.00 H new ATOM 0 HE3 TRP A 5 16.854 6.555 6.478 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 21.847 7.231 6.404 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 18.249 6.269 8.515 1.00 0.00 H new ATOM 0 HH2 TRP A 5 20.664 6.585 8.523 1.00 0.00 H new ATOM 102 N ASN A 6 14.517 10.174 4.055 1.00 0.00 N ATOM 103 CA ASN A 6 13.339 10.615 4.784 1.00 0.00 C ATOM 104 C ASN A 6 12.148 9.734 4.401 1.00 0.00 C ATOM 105 O ASN A 6 11.720 9.729 3.248 1.00 0.00 O ATOM 106 CB ASN A 6 12.987 12.063 4.437 1.00 0.00 C ATOM 107 CG ASN A 6 13.167 12.976 5.651 1.00 0.00 C ATOM 108 OD1 ASN A 6 13.196 12.540 6.790 1.00 0.00 O ATOM 109 ND2 ASN A 6 13.286 14.266 5.345 1.00 0.00 N ATOM 0 H ASN A 6 15.095 10.927 3.681 1.00 0.00 H new ATOM 0 HA ASN A 6 13.555 10.542 5.850 1.00 0.00 H new ATOM 0 HB2 ASN A 6 13.620 12.409 3.620 1.00 0.00 H new ATOM 0 HB3 ASN A 6 11.956 12.117 4.087 1.00 0.00 H new ATOM 0 HD21 ASN A 6 13.410 14.956 6.085 1.00 0.00 H new ATOM 0 HD22 ASN A 6 13.253 14.564 4.370 1.00 0.00 H new ATOM 116 N ARG A 7 11.646 9.010 5.390 1.00 0.00 N ATOM 117 CA ARG A 7 10.513 8.127 5.171 1.00 0.00 C ATOM 118 C ARG A 7 10.600 7.486 3.785 1.00 0.00 C ATOM 119 O ARG A 7 9.990 7.971 2.834 1.00 0.00 O ATOM 120 CB ARG A 7 9.191 8.887 5.292 1.00 0.00 C ATOM 121 CG ARG A 7 8.175 8.094 6.116 1.00 0.00 C ATOM 122 CD ARG A 7 6.817 8.798 6.137 1.00 0.00 C ATOM 123 NE ARG A 7 6.023 8.331 7.296 1.00 0.00 N ATOM 124 CZ ARG A 7 6.124 8.843 8.531 1.00 0.00 C ATOM 125 NH1 ARG A 7 6.985 9.841 8.774 1.00 0.00 N ATOM 126 NH2 ARG A 7 5.364 8.357 9.521 1.00 0.00 N ATOM 0 H ARG A 7 12.003 9.017 6.345 1.00 0.00 H new ATOM 0 HA ARG A 7 10.544 7.351 5.936 1.00 0.00 H new ATOM 0 HB2 ARG A 7 9.366 9.856 5.759 1.00 0.00 H new ATOM 0 HB3 ARG A 7 8.787 9.081 4.298 1.00 0.00 H new ATOM 0 HG2 ARG A 7 8.064 7.094 5.698 1.00 0.00 H new ATOM 0 HG3 ARG A 7 8.542 7.974 7.135 1.00 0.00 H new ATOM 0 HD2 ARG A 7 6.958 9.877 6.194 1.00 0.00 H new ATOM 0 HD3 ARG A 7 6.279 8.595 5.211 1.00 0.00 H new ATOM 0 HE ARG A 7 5.358 7.573 7.146 1.00 0.00 H new ATOM 0 HH11 ARG A 7 7.563 10.211 8.019 1.00 0.00 H new ATOM 0 HH12 ARG A 7 7.062 10.231 9.713 1.00 0.00 H new ATOM 0 HH21 ARG A 7 4.709 7.598 9.335 1.00 0.00 H new ATOM 0 HH22 ARG A 7 5.440 8.746 10.461 1.00 0.00 H new ATOM 140 N LYS A 8 11.364 6.405 3.715 1.00 0.00 N ATOM 141 CA LYS A 8 11.538 5.692 2.460 1.00 0.00 C ATOM 142 C LYS A 8 11.412 4.188 2.712 1.00 0.00 C ATOM 143 O LYS A 8 12.373 3.417 2.652 1.00 0.00 O ATOM 144 CB LYS A 8 12.854 6.096 1.793 1.00 0.00 C ATOM 145 CG LYS A 8 12.627 6.505 0.336 1.00 0.00 C ATOM 146 CD LYS A 8 13.673 5.867 -0.581 1.00 0.00 C ATOM 147 CE LYS A 8 14.700 6.903 -1.045 1.00 0.00 C ATOM 148 NZ LYS A 8 15.827 6.240 -1.738 1.00 0.00 N ATOM 0 H LYS A 8 11.869 6.006 4.506 1.00 0.00 H new ATOM 0 HA LYS A 8 10.753 5.964 1.754 1.00 0.00 H new ATOM 0 HB2 LYS A 8 13.305 6.924 2.341 1.00 0.00 H new ATOM 0 HB3 LYS A 8 13.558 5.265 1.836 1.00 0.00 H new ATOM 0 HG2 LYS A 8 11.628 6.202 0.021 1.00 0.00 H new ATOM 0 HG3 LYS A 8 12.674 7.590 0.247 1.00 0.00 H new ATOM 0 HD2 LYS A 8 14.179 5.058 -0.054 1.00 0.00 H new ATOM 0 HD3 LYS A 8 13.181 5.424 -1.447 1.00 0.00 H new ATOM 0 HE2 LYS A 8 14.225 7.620 -1.714 1.00 0.00 H new ATOM 0 HE3 LYS A 8 15.072 7.464 -0.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 16.515 6.957 -2.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 16.290 5.573 -1.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 15.469 5.724 -2.567 1.00 0.00 H new HETATM 162 N HYP A 9 10.140 3.752 3.012 1.00 0.00 N HETATM 163 CA HYP A 9 9.823 2.359 3.382 1.00 0.00 C HETATM 164 C HYP A 9 10.135 1.282 2.316 1.00 0.00 C HETATM 165 O HYP A 9 10.665 1.597 1.251 1.00 0.00 O HETATM 166 CB HYP A 9 8.312 2.387 3.687 1.00 0.00 C HETATM 167 CG HYP A 9 8.020 3.854 4.011 1.00 0.00 C HETATM 168 CD HYP A 9 8.935 4.575 3.016 1.00 0.00 C HETATM 169 OD1 HYP A 9 8.462 4.106 5.334 1.00 0.00 O HETATM 0 HD23 HYP A 9 9.147 5.597 3.331 1.00 0.00 H new HETATM 0 HD22 HYP A 9 8.485 4.634 2.025 1.00 0.00 H new HETATM 0 HG HYP A 9 6.973 4.149 3.942 1.00 0.00 H new HETATM 0 HD1 HYP A 9 8.019 4.909 5.680 1.00 0.00 H new HETATM 0 HB3 HYP A 9 7.727 2.044 2.833 1.00 0.00 H new HETATM 0 HB2 HYP A 9 8.063 1.737 4.526 1.00 0.00 H new HETATM 0 HA HYP A 9 10.457 2.060 4.217 1.00 0.00 H new ATOM 177 N THR A 10 9.651 0.079 2.586 1.00 0.00 N ATOM 178 CA THR A 10 9.715 -0.991 1.606 1.00 0.00 C ATOM 179 C THR A 10 8.930 -0.611 0.349 1.00 0.00 C ATOM 180 O THR A 10 7.851 -0.025 0.439 1.00 0.00 O ATOM 181 CB THR A 10 9.213 -2.274 2.271 1.00 0.00 C ATOM 182 OG1 THR A 10 7.815 -2.056 2.435 1.00 0.00 O ATOM 183 CG2 THR A 10 9.735 -2.435 3.700 1.00 0.00 C ATOM 0 H THR A 10 9.212 -0.178 3.470 1.00 0.00 H new ATOM 0 HA THR A 10 10.739 -1.160 1.273 1.00 0.00 H new ATOM 0 HB THR A 10 9.516 -3.135 1.674 1.00 0.00 H new ATOM 0 HG1 THR A 10 7.437 -2.764 2.997 1.00 0.00 H new ATOM 0 HG21 THR A 10 9.349 -3.361 4.126 1.00 0.00 H new ATOM 0 HG22 THR A 10 10.824 -2.467 3.688 1.00 0.00 H new ATOM 0 HG23 THR A 10 9.404 -1.591 4.306 1.00 0.00 H new ATOM 191 N LYS A 11 9.500 -0.960 -0.795 1.00 0.00 N ATOM 192 CA LYS A 11 8.866 -0.663 -2.069 1.00 0.00 C ATOM 193 C LYS A 11 7.628 -1.546 -2.235 1.00 0.00 C ATOM 194 O LYS A 11 7.538 -2.323 -3.185 1.00 0.00 O ATOM 195 CB LYS A 11 9.874 -0.795 -3.212 1.00 0.00 C ATOM 196 CG LYS A 11 10.701 -2.074 -3.069 1.00 0.00 C ATOM 197 CD LYS A 11 11.214 -2.551 -4.430 1.00 0.00 C ATOM 198 CE LYS A 11 10.310 -3.643 -5.005 1.00 0.00 C ATOM 199 NZ LYS A 11 10.308 -3.588 -6.484 1.00 0.00 N ATOM 0 H LYS A 11 10.394 -1.446 -0.867 1.00 0.00 H new ATOM 0 HA LYS A 11 8.525 0.372 -2.094 1.00 0.00 H new ATOM 0 HB2 LYS A 11 9.348 -0.803 -4.167 1.00 0.00 H new ATOM 0 HB3 LYS A 11 10.536 0.071 -3.220 1.00 0.00 H new ATOM 0 HG2 LYS A 11 11.544 -1.894 -2.402 1.00 0.00 H new ATOM 0 HG3 LYS A 11 10.094 -2.855 -2.611 1.00 0.00 H new ATOM 0 HD2 LYS A 11 11.258 -1.709 -5.121 1.00 0.00 H new ATOM 0 HD3 LYS A 11 12.230 -2.932 -4.326 1.00 0.00 H new ATOM 0 HE2 LYS A 11 10.655 -4.622 -4.672 1.00 0.00 H new ATOM 0 HE3 LYS A 11 9.295 -3.518 -4.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 9.690 -4.336 -6.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 9.957 -2.660 -6.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 11.276 -3.730 -6.838 1.00 0.00 H new ATOM 213 N PHE A 12 6.703 -1.398 -1.298 1.00 0.00 N ATOM 214 CA PHE A 12 5.474 -2.171 -1.329 1.00 0.00 C ATOM 215 C PHE A 12 4.295 -1.349 -0.807 1.00 0.00 C ATOM 216 O PHE A 12 4.433 -0.244 -0.275 1.00 0.00 O ATOM 217 CB PHE A 12 5.683 -3.380 -0.414 1.00 0.00 C ATOM 218 CG PHE A 12 7.022 -4.092 -0.619 1.00 0.00 C ATOM 219 CD1 PHE A 12 7.394 -4.497 -1.863 1.00 0.00 C ATOM 220 CD2 PHE A 12 7.841 -4.320 0.443 1.00 0.00 C ATOM 221 CE1 PHE A 12 8.636 -5.157 -2.054 1.00 0.00 C ATOM 222 CE2 PHE A 12 9.083 -4.980 0.252 1.00 0.00 C ATOM 223 CZ PHE A 12 9.454 -5.385 -0.992 1.00 0.00 C ATOM 0 H PHE A 12 6.781 -0.753 -0.512 1.00 0.00 H new ATOM 0 HA PHE A 12 5.248 -2.469 -2.353 1.00 0.00 H new ATOM 0 HB2 PHE A 12 5.612 -3.054 0.624 1.00 0.00 H new ATOM 0 HB3 PHE A 12 4.875 -4.093 -0.580 1.00 0.00 H new ATOM 0 HD1 PHE A 12 6.744 -4.316 -2.706 1.00 0.00 H new ATOM 0 HD2 PHE A 12 7.546 -3.999 1.431 1.00 0.00 H new ATOM 0 HE1 PHE A 12 8.931 -5.478 -3.042 1.00 0.00 H new ATOM 0 HE2 PHE A 12 9.734 -5.161 1.095 1.00 0.00 H new ATOM 0 HZ PHE A 12 10.399 -5.888 -1.137 1.00 0.00 H new HETATM 233 N HYP A 13 3.058 -1.934 -0.972 1.00 0.00 N HETATM 234 CA HYP A 13 1.788 -1.266 -0.626 1.00 0.00 C HETATM 235 C HYP A 13 1.639 -0.802 0.844 1.00 0.00 C HETATM 236 O HYP A 13 1.969 -1.546 1.766 1.00 0.00 O HETATM 237 CB HYP A 13 0.708 -2.310 -0.970 1.00 0.00 C HETATM 238 CG HYP A 13 1.388 -3.235 -1.981 1.00 0.00 C HETATM 239 CD HYP A 13 2.815 -3.297 -1.429 1.00 0.00 C HETATM 240 OD1 HYP A 13 1.392 -2.580 -3.240 1.00 0.00 O HETATM 0 HD23 HYP A 13 3.530 -3.598 -2.195 1.00 0.00 H new HETATM 0 HD22 HYP A 13 2.900 -4.016 -0.614 1.00 0.00 H new HETATM 0 HG HYP A 13 0.921 -4.212 -2.109 1.00 0.00 H new HETATM 0 HD1 HYP A 13 1.825 -3.154 -3.906 1.00 0.00 H new HETATM 0 HB3 HYP A 13 0.386 -2.857 -0.084 1.00 0.00 H new HETATM 0 HB2 HYP A 13 -0.179 -1.840 -1.394 1.00 0.00 H new HETATM 0 HA HYP A 13 1.717 -0.330 -1.180 1.00 0.00 H new ATOM 248 N ILE A 14 1.004 0.349 0.999 1.00 0.00 N ATOM 249 CA ILE A 14 0.637 0.830 2.321 1.00 0.00 C ATOM 250 C ILE A 14 -0.725 0.253 2.710 1.00 0.00 C ATOM 251 O ILE A 14 -1.687 0.228 1.936 1.00 0.00 O ATOM 252 CB ILE A 14 0.696 2.357 2.370 1.00 0.00 C ATOM 253 CG1 ILE A 14 1.724 2.900 1.375 1.00 0.00 C ATOM 254 CG2 ILE A 14 0.961 2.850 3.794 1.00 0.00 C ATOM 255 CD1 ILE A 14 3.048 2.144 1.489 1.00 0.00 C ATOM 0 H ILE A 14 0.734 0.964 0.231 1.00 0.00 H new ATOM 0 HA ILE A 14 1.353 0.483 3.065 1.00 0.00 H new ATOM 0 HB ILE A 14 -0.277 2.745 2.070 1.00 0.00 H new ATOM 0 HG12 ILE A 14 1.336 2.810 0.360 1.00 0.00 H new ATOM 0 HG13 ILE A 14 1.890 3.961 1.560 1.00 0.00 H new ATOM 0 HG21 ILE A 14 0.998 3.939 3.801 1.00 0.00 H new ATOM 0 HG22 ILE A 14 0.161 2.510 4.452 1.00 0.00 H new ATOM 0 HG23 ILE A 14 1.913 2.452 4.145 1.00 0.00 H new ATOM 0 HD11 ILE A 14 3.761 2.549 0.771 1.00 0.00 H new ATOM 0 HD12 ILE A 14 3.445 2.256 2.498 1.00 0.00 H new ATOM 0 HD13 ILE A 14 2.883 1.087 1.279 1.00 0.00 H new HETATM 267 N HYP A 15 -0.804 -0.240 3.993 1.00 0.00 N HETATM 268 CA HYP A 15 -1.996 -0.925 4.531 1.00 0.00 C HETATM 269 C HYP A 15 -3.360 -0.257 4.230 1.00 0.00 C HETATM 270 O HYP A 15 -3.433 0.959 4.065 1.00 0.00 O HETATM 271 CB HYP A 15 -1.748 -0.972 6.052 1.00 0.00 C HETATM 272 CG HYP A 15 -0.230 -0.831 6.190 1.00 0.00 C HETATM 273 CD HYP A 15 0.086 0.169 5.074 1.00 0.00 C HETATM 274 OD1 HYP A 15 0.356 -2.086 5.887 1.00 0.00 O HETATM 0 HD23 HYP A 15 1.133 0.119 4.774 1.00 0.00 H new HETATM 0 HD22 HYP A 15 -0.107 1.195 5.387 1.00 0.00 H new HETATM 0 HG HYP A 15 0.124 -0.522 7.173 1.00 0.00 H new HETATM 0 HD1 HYP A 15 1.330 -2.020 5.967 1.00 0.00 H new HETATM 0 HB3 HYP A 15 -2.271 -0.166 6.566 1.00 0.00 H new HETATM 0 HB2 HYP A 15 -2.102 -1.908 6.484 1.00 0.00 H new HETATM 0 HA HYP A 15 -2.094 -1.898 4.050 1.00 0.00 H new ATOM 282 N SER A 16 -4.406 -1.066 4.327 1.00 0.00 N ATOM 283 CA SER A 16 -5.761 -0.551 4.241 1.00 0.00 C ATOM 284 C SER A 16 -6.743 -1.698 3.992 1.00 0.00 C ATOM 285 O SER A 16 -6.379 -2.827 3.652 1.00 0.00 O ATOM 286 CB SER A 16 -5.881 0.499 3.135 1.00 0.00 C ATOM 287 OG SER A 16 -5.792 1.827 3.648 1.00 0.00 O ATOM 0 H SER A 16 -4.341 -2.075 4.464 1.00 0.00 H new ATOM 0 HA SER A 16 -6.005 -0.072 5.189 1.00 0.00 H new ATOM 0 HB2 SER A 16 -5.093 0.341 2.398 1.00 0.00 H new ATOM 0 HB3 SER A 16 -6.832 0.373 2.617 1.00 0.00 H new ATOM 0 HG SER A 16 -4.892 1.981 4.004 1.00 0.00 H new HETATM 293 N HYP A 17 -8.070 -1.379 4.175 1.00 0.00 N HETATM 294 CA HYP A 17 -9.165 -2.364 4.080 1.00 0.00 C HETATM 295 C HYP A 17 -9.332 -3.070 2.712 1.00 0.00 C HETATM 296 O HYP A 17 -8.748 -2.643 1.718 1.00 0.00 O HETATM 297 CB HYP A 17 -10.430 -1.553 4.422 1.00 0.00 C HETATM 298 CG HYP A 17 -9.906 -0.353 5.213 1.00 0.00 C HETATM 299 CD HYP A 17 -8.595 -0.053 4.482 1.00 0.00 C HETATM 300 OD1 HYP A 17 -9.627 -0.789 6.533 1.00 0.00 O HETATM 0 HD23 HYP A 17 -7.907 0.517 5.107 1.00 0.00 H new HETATM 0 HD22 HYP A 17 -8.763 0.532 3.578 1.00 0.00 H new HETATM 0 HG HYP A 17 -10.582 0.500 5.274 1.00 0.00 H new HETATM 0 HD1 HYP A 17 -9.287 -0.037 7.061 1.00 0.00 H new HETATM 0 HB3 HYP A 17 -10.956 -1.237 3.521 1.00 0.00 H new HETATM 0 HB2 HYP A 17 -11.133 -2.142 5.011 1.00 0.00 H new HETATM 0 HA HYP A 17 -8.955 -3.195 4.753 1.00 0.00 H new ATOM 308 N ASN A 18 -10.247 -4.029 2.692 1.00 0.00 N ATOM 309 CA ASN A 18 -10.636 -4.664 1.445 1.00 0.00 C ATOM 310 C ASN A 18 -11.464 -5.914 1.752 1.00 0.00 C ATOM 311 O ASN A 18 -12.536 -6.161 1.196 1.00 0.00 O ATOM 312 CB ASN A 18 -9.409 -5.095 0.639 1.00 0.00 C ATOM 313 CG ASN A 18 -9.465 -4.539 -0.785 1.00 0.00 C ATOM 314 OD1 ASN A 18 -9.361 -3.345 -1.017 1.00 0.00 O ATOM 315 ND2 ASN A 18 -9.635 -5.466 -1.722 1.00 0.00 N ATOM 0 H ASN A 18 -10.729 -4.381 3.519 1.00 0.00 H new ATOM 0 HA ASN A 18 -11.212 -3.943 0.865 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -8.503 -4.745 1.134 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -9.355 -6.183 0.606 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -9.686 -5.195 -2.704 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -9.715 -6.448 -1.459 1.00 0.00 H new HETATM 322 N HYP A 19 -10.921 -6.753 2.702 1.00 0.00 N HETATM 323 CA HYP A 19 -11.510 -8.055 3.071 1.00 0.00 C HETATM 324 C HYP A 19 -12.893 -8.007 3.764 1.00 0.00 C HETATM 325 O HYP A 19 -13.454 -9.047 4.103 1.00 0.00 O HETATM 326 CB HYP A 19 -10.463 -8.689 4.008 1.00 0.00 C HETATM 327 CG HYP A 19 -9.157 -7.972 3.653 1.00 0.00 C HETATM 328 CD HYP A 19 -9.652 -6.547 3.392 1.00 0.00 C HETATM 329 OD1 HYP A 19 -8.664 -8.536 2.450 1.00 0.00 O HETATM 0 HD23 HYP A 19 -8.948 -5.983 2.780 1.00 0.00 H new HETATM 0 HD22 HYP A 19 -9.784 -5.991 4.320 1.00 0.00 H new HETATM 0 HG HYP A 19 -8.368 -8.034 4.403 1.00 0.00 H new HETATM 0 HD1 HYP A 19 -7.827 -8.092 2.199 1.00 0.00 H new HETATM 0 HB3 HYP A 19 -10.726 -8.542 5.056 1.00 0.00 H new HETATM 0 HB2 HYP A 19 -10.384 -9.764 3.847 1.00 0.00 H new HETATM 0 HA HYP A 19 -11.718 -8.621 2.163 1.00 0.00 H new ATOM 337 N ARG A 20 -13.451 -6.806 3.803 1.00 0.00 N ATOM 338 CA ARG A 20 -14.817 -6.630 4.267 1.00 0.00 C ATOM 339 C ARG A 20 -15.725 -6.228 3.103 1.00 0.00 C ATOM 340 O ARG A 20 -16.783 -5.637 3.313 1.00 0.00 O ATOM 341 CB ARG A 20 -14.895 -5.561 5.359 1.00 0.00 C ATOM 342 CG ARG A 20 -13.729 -4.576 5.245 1.00 0.00 C ATOM 343 CD ARG A 20 -13.791 -3.523 6.354 1.00 0.00 C ATOM 344 NE ARG A 20 -12.680 -3.730 7.310 1.00 0.00 N ATOM 345 CZ ARG A 20 -12.266 -2.809 8.191 1.00 0.00 C ATOM 346 NH1 ARG A 20 -12.869 -1.613 8.243 1.00 0.00 N ATOM 347 NH2 ARG A 20 -11.251 -3.084 9.020 1.00 0.00 N ATOM 0 H ARG A 20 -12.982 -5.945 3.521 1.00 0.00 H new ATOM 0 HA ARG A 20 -15.151 -7.581 4.682 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -15.840 -5.023 5.280 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -14.880 -6.036 6.340 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -12.784 -5.117 5.304 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -13.756 -4.086 4.272 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -13.729 -2.524 5.922 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -14.747 -3.587 6.875 1.00 0.00 H new ATOM 0 HE ARG A 20 -12.200 -4.630 7.297 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -13.643 -1.404 7.612 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -12.554 -0.912 8.913 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -10.793 -3.995 8.981 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -10.936 -2.383 9.691 1.00 0.00 H new ATOM 361 N ASP A 21 -15.279 -6.566 1.902 1.00 0.00 N ATOM 362 CA ASP A 21 -16.038 -6.247 0.705 1.00 0.00 C ATOM 363 C ASP A 21 -16.508 -7.545 0.043 1.00 0.00 C ATOM 364 O ASP A 21 -15.696 -8.413 -0.271 1.00 0.00 O ATOM 365 CB ASP A 21 -15.179 -5.485 -0.306 1.00 0.00 C ATOM 366 CG ASP A 21 -15.657 -5.572 -1.756 1.00 0.00 C ATOM 367 OD1 ASP A 21 -16.593 -4.814 -2.094 1.00 0.00 O ATOM 368 OD2 ASP A 21 -15.076 -6.396 -2.497 1.00 0.00 O ATOM 0 H ASP A 21 -14.402 -7.058 1.732 1.00 0.00 H new ATOM 0 HA ASP A 21 -16.885 -5.627 0.998 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -15.145 -4.436 -0.013 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -14.159 -5.865 -0.252 1.00 0.00 H new ATOM 373 N LYS A 22 -17.816 -7.635 -0.147 1.00 0.00 N ATOM 374 CA LYS A 22 -18.403 -8.812 -0.764 1.00 0.00 C ATOM 375 C LYS A 22 -18.124 -10.034 0.111 1.00 0.00 C ATOM 376 O LYS A 22 -18.316 -11.170 -0.322 1.00 0.00 O ATOM 377 CB LYS A 22 -17.911 -8.962 -2.205 1.00 0.00 C ATOM 378 CG LYS A 22 -18.850 -8.251 -3.182 1.00 0.00 C ATOM 379 CD LYS A 22 -18.128 -7.908 -4.487 1.00 0.00 C ATOM 380 CE LYS A 22 -17.843 -6.408 -4.577 1.00 0.00 C ATOM 381 NZ LYS A 22 -17.733 -5.986 -5.991 1.00 0.00 N ATOM 0 H LYS A 22 -18.486 -6.912 0.116 1.00 0.00 H new ATOM 0 HA LYS A 22 -19.486 -8.708 -0.830 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -16.906 -8.549 -2.295 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -17.845 -10.019 -2.462 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -19.709 -8.887 -3.394 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -19.234 -7.339 -2.724 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -17.192 -8.464 -4.546 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -18.737 -8.218 -5.336 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -18.640 -5.850 -4.086 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -16.919 -6.175 -4.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -17.539 -4.965 -6.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -16.957 -6.505 -6.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -18.625 -6.191 -6.485 1.00 0.00 H new ATOM 395 N TRP A 23 -17.676 -9.762 1.328 1.00 0.00 N ATOM 396 CA TRP A 23 -17.368 -10.826 2.268 1.00 0.00 C ATOM 397 C TRP A 23 -18.673 -11.554 2.601 1.00 0.00 C ATOM 398 O TRP A 23 -19.714 -11.270 2.011 1.00 0.00 O ATOM 399 CB TRP A 23 -16.658 -10.276 3.506 1.00 0.00 C ATOM 400 CG TRP A 23 -17.488 -10.361 4.789 1.00 0.00 C ATOM 401 CD1 TRP A 23 -18.453 -9.530 5.204 1.00 0.00 C ATOM 402 CD2 TRP A 23 -17.385 -11.372 5.814 1.00 0.00 C ATOM 403 NE1 TRP A 23 -18.978 -9.929 6.416 1.00 0.00 N ATOM 404 CE2 TRP A 23 -18.307 -11.085 6.799 1.00 0.00 C ATOM 405 CE3 TRP A 23 -16.539 -12.492 5.906 1.00 0.00 C ATOM 406 CZ2 TRP A 23 -18.473 -11.869 7.946 1.00 0.00 C ATOM 407 CZ3 TRP A 23 -16.717 -13.266 7.059 1.00 0.00 C ATOM 408 CH2 TRP A 23 -17.641 -12.991 8.059 1.00 0.00 C ATOM 0 H TRP A 23 -17.519 -8.819 1.685 1.00 0.00 H new ATOM 0 HA TRP A 23 -16.672 -11.540 1.828 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -15.727 -10.823 3.651 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -16.391 -9.235 3.326 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -18.779 -8.657 4.658 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -19.721 -9.462 6.935 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -15.810 -12.736 5.147 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -19.203 -11.623 8.703 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -16.092 -14.138 7.179 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -17.718 -13.639 8.920 1.00 0.00 H new ATOM 419 N CYS A 24 -18.572 -12.478 3.545 1.00 0.00 N ATOM 420 CA CYS A 24 -19.731 -13.249 3.964 1.00 0.00 C ATOM 421 C CYS A 24 -20.256 -12.654 5.271 1.00 0.00 C ATOM 422 O CYS A 24 -19.939 -13.146 6.353 1.00 0.00 O ATOM 423 CB CYS A 24 -19.400 -14.736 4.105 1.00 0.00 C ATOM 424 SG CYS A 24 -20.300 -15.836 2.952 1.00 0.00 S ATOM 0 H CYS A 24 -17.706 -12.710 4.032 1.00 0.00 H new ATOM 0 HA CYS A 24 -20.507 -13.188 3.201 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -18.329 -14.871 3.953 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -19.618 -15.047 5.127 1.00 0.00 H new ATOM 429 N ARG A 25 -21.051 -11.604 5.129 1.00 0.00 N ATOM 430 CA ARG A 25 -21.623 -10.936 6.286 1.00 0.00 C ATOM 431 C ARG A 25 -22.936 -11.610 6.692 1.00 0.00 C ATOM 432 O ARG A 25 -23.305 -11.602 7.866 1.00 0.00 O ATOM 433 CB ARG A 25 -21.887 -9.457 5.995 1.00 0.00 C ATOM 434 CG ARG A 25 -21.942 -8.645 7.290 1.00 0.00 C ATOM 435 CD ARG A 25 -23.291 -7.938 7.436 1.00 0.00 C ATOM 436 NE ARG A 25 -23.123 -6.681 8.201 1.00 0.00 N ATOM 437 CZ ARG A 25 -24.095 -5.776 8.381 1.00 0.00 C ATOM 438 NH1 ARG A 25 -25.310 -5.983 7.853 1.00 0.00 N ATOM 439 NH2 ARG A 25 -23.853 -4.665 9.090 1.00 0.00 N ATOM 0 H ARG A 25 -21.313 -11.199 4.230 1.00 0.00 H new ATOM 0 HA ARG A 25 -20.903 -11.011 7.101 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -21.102 -9.064 5.348 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -22.828 -9.351 5.455 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -21.778 -9.303 8.143 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -21.139 -7.908 7.296 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -23.706 -7.722 6.452 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -24.000 -8.591 7.945 1.00 0.00 H new ATOM 0 HE ARG A 25 -22.211 -6.492 8.617 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -25.495 -6.829 7.314 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -26.050 -5.294 7.990 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -22.929 -4.508 9.493 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -24.593 -3.976 9.227 1.00 0.00 H new ATOM 453 N LEU A 26 -23.605 -12.176 5.699 1.00 0.00 N ATOM 454 CA LEU A 26 -24.868 -12.854 5.937 1.00 0.00 C ATOM 455 C LEU A 26 -24.981 -14.059 5.002 1.00 0.00 C ATOM 456 O LEU A 26 -24.015 -14.422 4.331 1.00 0.00 O ATOM 457 CB LEU A 26 -26.034 -11.870 5.816 1.00 0.00 C ATOM 458 CG LEU A 26 -25.802 -10.664 4.905 1.00 0.00 C ATOM 459 CD1 LEU A 26 -26.941 -10.511 3.896 1.00 0.00 C ATOM 460 CD2 LEU A 26 -25.588 -9.390 5.725 1.00 0.00 C ATOM 0 H LEU A 26 -23.296 -12.179 4.727 1.00 0.00 H new ATOM 0 HA LEU A 26 -24.908 -13.238 6.956 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -26.906 -12.413 5.451 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -26.280 -11.505 6.813 1.00 0.00 H new ATOM 0 HG LEU A 26 -24.889 -10.838 4.336 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -26.751 -9.646 3.261 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -27.003 -11.407 3.279 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -27.882 -10.370 4.428 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -25.425 -8.548 5.053 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -26.469 -9.200 6.338 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -24.717 -9.514 6.369 1.00 0.00 H new ATOM 472 N ASN A 27 -26.168 -14.647 4.987 1.00 0.00 N ATOM 473 CA ASN A 27 -26.419 -15.805 4.145 1.00 0.00 C ATOM 474 C ASN A 27 -26.132 -15.440 2.686 1.00 0.00 C ATOM 475 O ASN A 27 -27.036 -15.039 1.954 1.00 0.00 O ATOM 476 CB ASN A 27 -27.879 -16.251 4.243 1.00 0.00 C ATOM 477 CG ASN A 27 -28.054 -17.676 3.714 1.00 0.00 C ATOM 478 OD1 ASN A 27 -27.100 -18.383 3.433 1.00 0.00 O ATOM 479 ND2 ASN A 27 -29.322 -18.056 3.594 1.00 0.00 N ATOM 0 H ASN A 27 -26.967 -14.344 5.544 1.00 0.00 H new ATOM 0 HA ASN A 27 -25.772 -16.615 4.482 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -28.209 -16.201 5.281 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -28.510 -15.568 3.675 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -29.544 -18.990 3.249 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -30.073 -17.414 3.847 1.00 0.00 H new ATOM 486 N LEU A 28 -24.872 -15.595 2.308 1.00 0.00 N ATOM 487 CA LEU A 28 -24.456 -15.287 0.951 1.00 0.00 C ATOM 488 C LEU A 28 -25.110 -16.276 -0.015 1.00 0.00 C ATOM 489 O LEU A 28 -26.064 -16.964 0.346 1.00 0.00 O ATOM 490 CB LEU A 28 -22.930 -15.251 0.853 1.00 0.00 C ATOM 491 CG LEU A 28 -22.341 -14.178 -0.065 1.00 0.00 C ATOM 492 CD1 LEU A 28 -22.260 -12.827 0.650 1.00 0.00 C ATOM 493 CD2 LEU A 28 -20.984 -14.615 -0.619 1.00 0.00 C ATOM 0 H LEU A 28 -24.126 -15.930 2.918 1.00 0.00 H new ATOM 0 HA LEU A 28 -24.794 -14.291 0.666 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -22.525 -15.106 1.855 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -22.585 -16.226 0.508 1.00 0.00 H new ATOM 0 HG LEU A 28 -23.011 -14.052 -0.916 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -21.838 -12.083 -0.025 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -23.259 -12.516 0.954 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -21.625 -12.919 1.531 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -20.588 -13.834 -1.268 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -20.292 -14.787 0.206 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -21.104 -15.536 -1.190 1.00 0.00 H new ATOM 505 N GLY A 29 -24.571 -16.318 -1.225 1.00 0.00 N ATOM 506 CA GLY A 29 -25.091 -17.212 -2.246 1.00 0.00 C ATOM 507 C GLY A 29 -24.043 -17.476 -3.329 1.00 0.00 C ATOM 508 O GLY A 29 -23.119 -18.281 -3.199 1.00 0.00 O ATOM 0 H GLY A 29 -23.779 -15.747 -1.521 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -25.393 -18.155 -1.790 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -25.983 -16.776 -2.696 1.00 0.00 H new ATOM 512 N PRO A 30 -24.197 -16.755 -4.458 1.00 0.00 N ATOM 513 CA PRO A 30 -23.367 -16.999 -5.667 1.00 0.00 C ATOM 514 C PRO A 30 -21.811 -16.906 -5.511 1.00 0.00 C ATOM 515 O PRO A 30 -21.295 -16.028 -6.200 1.00 0.00 O ATOM 516 CB PRO A 30 -23.983 -15.978 -6.651 1.00 0.00 C ATOM 517 CG PRO A 30 -24.573 -14.859 -5.781 1.00 0.00 C ATOM 518 CD PRO A 30 -25.077 -15.576 -4.527 1.00 0.00 C ATOM 0 HA PRO A 30 -23.410 -18.039 -5.992 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -23.227 -15.586 -7.332 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -24.754 -16.443 -7.265 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -23.821 -14.109 -5.535 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -25.383 -14.341 -6.295 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -24.988 -14.951 -3.639 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -26.126 -15.858 -4.615 1.00 0.00 H new ATOM 526 N ALA A 31 -21.142 -17.719 -4.705 1.00 0.00 N ATOM 527 CA ALA A 31 -19.698 -17.623 -4.577 1.00 0.00 C ATOM 528 C ALA A 31 -19.272 -18.195 -3.223 1.00 0.00 C ATOM 529 O ALA A 31 -18.116 -18.578 -3.043 1.00 0.00 O ATOM 530 CB ALA A 31 -19.264 -16.167 -4.758 1.00 0.00 C ATOM 0 H ALA A 31 -21.574 -18.446 -4.135 1.00 0.00 H new ATOM 0 HA ALA A 31 -19.204 -18.208 -5.353 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -18.181 -16.096 -4.662 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -19.564 -15.818 -5.746 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -19.737 -15.549 -3.995 1.00 0.00 H new ATOM 536 N TRP A 32 -20.226 -18.234 -2.306 1.00 0.00 N ATOM 537 CA TRP A 32 -19.964 -18.753 -0.974 1.00 0.00 C ATOM 538 C TRP A 32 -21.056 -19.771 -0.640 1.00 0.00 C ATOM 539 O TRP A 32 -21.569 -20.450 -1.528 1.00 0.00 O ATOM 540 CB TRP A 32 -19.873 -17.618 0.048 1.00 0.00 C ATOM 541 CG TRP A 32 -18.748 -17.789 1.070 1.00 0.00 C ATOM 542 CD1 TRP A 32 -18.823 -18.318 2.299 1.00 0.00 C ATOM 543 CD2 TRP A 32 -17.366 -17.409 0.900 1.00 0.00 C ATOM 544 NE1 TRP A 32 -17.597 -18.305 2.931 1.00 0.00 N ATOM 545 CE2 TRP A 32 -16.682 -17.735 2.053 1.00 0.00 C ATOM 546 CE3 TRP A 32 -16.715 -16.807 -0.193 1.00 0.00 C ATOM 547 CZ2 TRP A 32 -15.313 -17.498 2.225 1.00 0.00 C ATOM 548 CZ3 TRP A 32 -15.347 -16.578 -0.005 1.00 0.00 C ATOM 549 CH2 TRP A 32 -14.645 -16.900 1.151 1.00 0.00 C ATOM 0 H TRP A 32 -21.183 -17.915 -2.459 1.00 0.00 H new ATOM 0 HA TRP A 32 -18.997 -19.255 -0.939 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -19.728 -16.677 -0.482 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -20.823 -17.543 0.578 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -19.730 -18.706 2.739 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -17.398 -18.650 3.870 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -17.230 -16.543 -1.105 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -14.800 -17.763 3.138 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -14.799 -16.119 -0.814 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -13.588 -16.689 1.220 1.00 0.00 H new ATOM 560 N GLY A 33 -21.379 -19.846 0.643 1.00 0.00 N ATOM 561 CA GLY A 33 -22.400 -20.770 1.105 1.00 0.00 C ATOM 562 C GLY A 33 -21.865 -21.660 2.229 1.00 0.00 C ATOM 563 O GLY A 33 -20.790 -22.245 2.104 1.00 0.00 O ATOM 0 H GLY A 33 -20.951 -19.282 1.377 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -23.267 -20.212 1.459 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -22.737 -21.390 0.274 1.00 0.00 H new ATOM 567 N GLY A 34 -22.640 -21.736 3.301 1.00 0.00 N ATOM 568 CA GLY A 34 -22.258 -22.544 4.446 1.00 0.00 C ATOM 569 C GLY A 34 -21.200 -21.833 5.291 1.00 0.00 C ATOM 570 O GLY A 34 -20.142 -21.462 4.786 1.00 0.00 O ATOM 0 H GLY A 34 -23.532 -21.251 3.400 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -23.136 -22.753 5.057 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -21.871 -23.504 4.105 1.00 0.00 H new ATOM 574 N ARG A 35 -21.523 -21.663 6.566 1.00 0.00 N ATOM 575 CA ARG A 35 -20.614 -21.002 7.487 1.00 0.00 C ATOM 576 C ARG A 35 -19.991 -19.771 6.825 1.00 0.00 C ATOM 577 O ARG A 35 -18.823 -19.792 6.440 1.00 0.00 O ATOM 578 CB ARG A 35 -19.500 -21.950 7.936 1.00 0.00 C ATOM 579 CG ARG A 35 -18.536 -21.249 8.894 1.00 0.00 C ATOM 580 CD ARG A 35 -17.182 -21.000 8.227 1.00 0.00 C ATOM 581 NE ARG A 35 -16.118 -21.727 8.954 1.00 0.00 N ATOM 582 CZ ARG A 35 -14.915 -22.012 8.438 1.00 0.00 C ATOM 583 NH1 ARG A 35 -14.616 -21.633 7.188 1.00 0.00 N ATOM 584 NH2 ARG A 35 -14.012 -22.676 9.172 1.00 0.00 N ATOM 0 H ARG A 35 -22.402 -21.972 6.982 1.00 0.00 H new ATOM 0 HA ARG A 35 -21.190 -20.697 8.361 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -19.935 -22.822 8.425 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -18.953 -22.313 7.065 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -18.965 -20.301 9.218 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -18.398 -21.858 9.787 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -17.213 -21.328 7.188 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -16.963 -19.932 8.217 1.00 0.00 H new ATOM 0 HE ARG A 35 -16.313 -22.030 9.908 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -15.304 -21.128 6.630 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -13.700 -21.850 6.795 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -14.241 -22.964 10.123 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -13.096 -22.893 8.779 1.00 0.00 H new ATOM 598 N CYS A 36 -20.798 -18.726 6.715 1.00 0.00 N ATOM 599 CA CYS A 36 -20.341 -17.488 6.107 1.00 0.00 C ATOM 600 C CYS A 36 -19.376 -16.805 7.077 1.00 0.00 C ATOM 601 O CYS A 36 -18.988 -17.390 8.088 1.00 0.00 O ATOM 602 CB CYS A 36 -21.511 -16.577 5.730 1.00 0.00 C ATOM 603 SG CYS A 36 -21.887 -16.511 3.941 1.00 0.00 S ATOM 0 H CYS A 36 -21.766 -18.711 7.037 1.00 0.00 H new ATOM 0 HA CYS A 36 -19.822 -17.708 5.174 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -22.401 -16.913 6.262 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -21.294 -15.567 6.079 1.00 0.00 H new TER 608 CYS A 36