USER MOD reduce.3.24.130724 H: found=0, std=0, add=276, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 278 hydrogens (2 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -2.3! C(o=-2.3!,f=-11!) USER MOD Single : A 12 ASN : amide:sc= -0.127 K(o=-0.13,f=-1.8!) USER MOD Single : A 15 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.388) USER MOD Single : A 20 LYS NZ :NH3+ -124:sc= 0 (180deg=-0.126) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot -170:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN :FLIP amide:sc= -1.47 F(o=-2.6,f=-1.5) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.354 6.049 -1.986 1.00 0.00 N ATOM 2 CA GLY A 1 -8.408 6.205 -0.845 1.00 0.00 C ATOM 3 C GLY A 1 -7.508 4.971 -0.757 1.00 0.00 C ATOM 4 O GLY A 1 -7.823 4.009 -0.086 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.966 6.888 -2.047 1.00 0.00 H new ATOM 0 H2 GLY A 1 -8.817 5.948 -2.871 1.00 0.00 H new ATOM 0 H3 GLY A 1 -9.940 5.203 -1.838 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -7.802 7.101 -0.981 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.961 6.332 0.085 1.00 0.00 H new ATOM 10 N CYS A 2 -6.391 4.991 -1.431 1.00 0.00 N ATOM 11 CA CYS A 2 -5.474 3.818 -1.384 1.00 0.00 C ATOM 12 C CYS A 2 -5.104 3.494 0.064 1.00 0.00 C ATOM 13 O CYS A 2 -5.713 3.981 0.995 1.00 0.00 O ATOM 14 CB CYS A 2 -4.238 4.254 -2.171 1.00 0.00 C ATOM 15 SG CYS A 2 -3.665 5.856 -1.553 1.00 0.00 S ATOM 0 H CYS A 2 -6.074 5.768 -2.011 1.00 0.00 H new ATOM 0 HA CYS A 2 -5.928 2.920 -1.802 1.00 0.00 H new ATOM 0 HB2 CYS A 2 -3.448 3.510 -2.071 1.00 0.00 H new ATOM 0 HB3 CYS A 2 -4.476 4.325 -3.232 1.00 0.00 H new ATOM 20 N LEU A 3 -4.114 2.670 0.259 1.00 0.00 N ATOM 21 CA LEU A 3 -3.707 2.308 1.644 1.00 0.00 C ATOM 22 C LEU A 3 -2.551 3.197 2.116 1.00 0.00 C ATOM 23 O LEU A 3 -2.435 4.344 1.732 1.00 0.00 O ATOM 24 CB LEU A 3 -3.249 0.855 1.548 1.00 0.00 C ATOM 25 CG LEU A 3 -4.319 0.019 0.845 1.00 0.00 C ATOM 26 CD1 LEU A 3 -3.792 -1.400 0.628 1.00 0.00 C ATOM 27 CD2 LEU A 3 -5.578 -0.033 1.713 1.00 0.00 C ATOM 0 H LEU A 3 -3.568 2.231 -0.482 1.00 0.00 H new ATOM 0 HA LEU A 3 -4.520 2.442 2.358 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -2.309 0.796 0.999 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -3.061 0.457 2.545 1.00 0.00 H new ATOM 0 HG LEU A 3 -4.560 0.470 -0.117 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -4.553 -1.998 0.127 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -2.894 -1.364 0.011 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -3.553 -1.850 1.591 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -6.341 -0.629 1.212 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -5.338 -0.485 2.675 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -5.953 0.978 1.871 1.00 0.00 H new ATOM 39 N GLU A 4 -1.698 2.667 2.948 1.00 0.00 N ATOM 40 CA GLU A 4 -0.544 3.463 3.459 1.00 0.00 C ATOM 41 C GLU A 4 0.767 2.905 2.898 1.00 0.00 C ATOM 42 O GLU A 4 0.781 1.920 2.191 1.00 0.00 O ATOM 43 CB GLU A 4 -0.603 3.289 4.980 1.00 0.00 C ATOM 44 CG GLU A 4 0.320 4.304 5.661 1.00 0.00 C ATOM 45 CD GLU A 4 0.023 4.334 7.162 1.00 0.00 C ATOM 46 OE1 GLU A 4 0.464 3.428 7.851 1.00 0.00 O ATOM 47 OE2 GLU A 4 -0.638 5.263 7.598 1.00 0.00 O ATOM 0 H GLU A 4 -1.750 1.711 3.299 1.00 0.00 H new ATOM 0 HA GLU A 4 -0.590 4.511 3.165 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -1.626 3.424 5.330 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -0.305 2.276 5.250 1.00 0.00 H new ATOM 0 HG2 GLU A 4 1.363 4.036 5.491 1.00 0.00 H new ATOM 0 HG3 GLU A 4 0.171 5.294 5.230 1.00 0.00 H new ATOM 54 N PHE A 5 1.867 3.535 3.206 1.00 0.00 N ATOM 55 CA PHE A 5 3.186 3.058 2.695 1.00 0.00 C ATOM 56 C PHE A 5 3.479 1.623 3.161 1.00 0.00 C ATOM 57 O PHE A 5 4.427 1.004 2.721 1.00 0.00 O ATOM 58 CB PHE A 5 4.200 4.026 3.303 1.00 0.00 C ATOM 59 CG PHE A 5 5.357 4.223 2.352 1.00 0.00 C ATOM 60 CD1 PHE A 5 6.400 3.291 2.314 1.00 0.00 C ATOM 61 CD2 PHE A 5 5.385 5.340 1.510 1.00 0.00 C ATOM 62 CE1 PHE A 5 7.473 3.476 1.433 1.00 0.00 C ATOM 63 CE2 PHE A 5 6.458 5.526 0.630 1.00 0.00 C ATOM 64 CZ PHE A 5 7.501 4.594 0.592 1.00 0.00 C ATOM 0 H PHE A 5 1.910 4.367 3.795 1.00 0.00 H new ATOM 0 HA PHE A 5 3.217 3.038 1.606 1.00 0.00 H new ATOM 0 HB2 PHE A 5 3.722 4.983 3.511 1.00 0.00 H new ATOM 0 HB3 PHE A 5 4.562 3.637 4.254 1.00 0.00 H new ATOM 0 HD1 PHE A 5 6.378 2.429 2.964 1.00 0.00 H new ATOM 0 HD2 PHE A 5 4.579 6.059 1.539 1.00 0.00 H new ATOM 0 HE1 PHE A 5 8.278 2.757 1.403 1.00 0.00 H new ATOM 0 HE2 PHE A 5 6.481 6.389 -0.019 1.00 0.00 H new ATOM 0 HZ PHE A 5 8.328 4.738 -0.087 1.00 0.00 H new ATOM 74 N TRP A 6 2.684 1.092 4.051 1.00 0.00 N ATOM 75 CA TRP A 6 2.940 -0.294 4.543 1.00 0.00 C ATOM 76 C TRP A 6 1.631 -0.945 4.997 1.00 0.00 C ATOM 77 O TRP A 6 1.483 -1.336 6.138 1.00 0.00 O ATOM 78 CB TRP A 6 3.891 -0.106 5.725 1.00 0.00 C ATOM 79 CG TRP A 6 4.474 -1.422 6.127 1.00 0.00 C ATOM 80 CD1 TRP A 6 4.145 -2.103 7.246 1.00 0.00 C ATOM 81 CD2 TRP A 6 5.482 -2.222 5.442 1.00 0.00 C ATOM 82 NE1 TRP A 6 4.884 -3.271 7.293 1.00 0.00 N ATOM 83 CE2 TRP A 6 5.722 -3.389 6.203 1.00 0.00 C ATOM 84 CE3 TRP A 6 6.203 -2.050 4.246 1.00 0.00 C ATOM 85 CZ2 TRP A 6 6.644 -4.353 5.795 1.00 0.00 C ATOM 86 CZ3 TRP A 6 7.134 -3.018 3.832 1.00 0.00 C ATOM 87 CH2 TRP A 6 7.353 -4.166 4.605 1.00 0.00 C ATOM 0 H TRP A 6 1.871 1.555 4.458 1.00 0.00 H new ATOM 0 HA TRP A 6 3.360 -0.944 3.775 1.00 0.00 H new ATOM 0 HB2 TRP A 6 4.688 0.587 5.454 1.00 0.00 H new ATOM 0 HB3 TRP A 6 3.356 0.336 6.566 1.00 0.00 H new ATOM 0 HD1 TRP A 6 3.422 -1.787 7.984 1.00 0.00 H new ATOM 0 HE1 TRP A 6 4.818 -3.961 8.042 1.00 0.00 H new ATOM 0 HE3 TRP A 6 6.040 -1.169 3.643 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 6.809 -5.237 6.394 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 7.684 -2.876 2.913 1.00 0.00 H new ATOM 0 HH2 TRP A 6 8.070 -4.906 4.281 1.00 0.00 H new ATOM 98 N TRP A 7 0.683 -1.065 4.108 1.00 0.00 N ATOM 99 CA TRP A 7 -0.618 -1.692 4.476 1.00 0.00 C ATOM 100 C TRP A 7 -0.822 -2.977 3.672 1.00 0.00 C ATOM 101 O TRP A 7 -0.042 -3.292 2.797 1.00 0.00 O ATOM 102 CB TRP A 7 -1.673 -0.656 4.098 1.00 0.00 C ATOM 103 CG TRP A 7 -1.991 0.177 5.295 1.00 0.00 C ATOM 104 CD1 TRP A 7 -1.206 0.288 6.388 1.00 0.00 C ATOM 105 CD2 TRP A 7 -3.158 1.013 5.539 1.00 0.00 C ATOM 106 NE1 TRP A 7 -1.819 1.135 7.295 1.00 0.00 N ATOM 107 CE2 TRP A 7 -3.024 1.608 6.816 1.00 0.00 C ATOM 108 CE3 TRP A 7 -4.306 1.308 4.785 1.00 0.00 C ATOM 109 CZ2 TRP A 7 -3.998 2.466 7.327 1.00 0.00 C ATOM 110 CZ3 TRP A 7 -5.289 2.171 5.297 1.00 0.00 C ATOM 111 CH2 TRP A 7 -5.135 2.748 6.565 1.00 0.00 C ATOM 0 H TRP A 7 0.754 -0.755 3.139 1.00 0.00 H new ATOM 0 HA TRP A 7 -0.668 -1.960 5.531 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -1.307 -0.025 3.288 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -2.573 -1.152 3.735 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -0.255 -0.204 6.531 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -1.428 1.379 8.205 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -4.433 0.869 3.807 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -3.874 2.909 8.304 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -6.169 2.391 4.710 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -5.895 3.410 6.953 1.00 0.00 H new ATOM 122 N LYS A 8 -1.861 -3.718 3.955 1.00 0.00 N ATOM 123 CA LYS A 8 -2.095 -4.979 3.187 1.00 0.00 C ATOM 124 C LYS A 8 -1.855 -4.710 1.704 1.00 0.00 C ATOM 125 O LYS A 8 -1.996 -3.597 1.237 1.00 0.00 O ATOM 126 CB LYS A 8 -3.560 -5.370 3.408 1.00 0.00 C ATOM 127 CG LYS A 8 -3.978 -5.120 4.860 1.00 0.00 C ATOM 128 CD LYS A 8 -5.224 -5.948 5.182 1.00 0.00 C ATOM 129 CE LYS A 8 -6.336 -5.027 5.687 1.00 0.00 C ATOM 130 NZ LYS A 8 -7.073 -5.838 6.696 1.00 0.00 N ATOM 0 H LYS A 8 -2.551 -3.509 4.676 1.00 0.00 H new ATOM 0 HA LYS A 8 -1.426 -5.775 3.514 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -4.199 -4.796 2.737 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -3.701 -6.422 3.160 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -3.165 -5.389 5.535 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -4.183 -4.060 5.013 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -5.557 -6.483 4.293 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -4.989 -6.699 5.937 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -5.927 -4.120 6.131 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -6.992 -4.716 4.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -7.854 -5.275 7.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -7.456 -6.692 6.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -6.424 -6.114 7.461 1.00 0.00 H new ATOM 144 N CYS A 9 -1.485 -5.707 0.960 1.00 0.00 N ATOM 145 CA CYS A 9 -1.230 -5.476 -0.492 1.00 0.00 C ATOM 146 C CYS A 9 -1.291 -6.785 -1.283 1.00 0.00 C ATOM 147 O CYS A 9 -1.528 -7.846 -0.742 1.00 0.00 O ATOM 148 CB CYS A 9 0.181 -4.898 -0.542 1.00 0.00 C ATOM 149 SG CYS A 9 1.365 -6.195 -0.109 1.00 0.00 S ATOM 0 H CYS A 9 -1.348 -6.664 1.285 1.00 0.00 H new ATOM 0 HA CYS A 9 -1.976 -4.816 -0.935 1.00 0.00 H new ATOM 0 HB2 CYS A 9 0.394 -4.511 -1.539 1.00 0.00 H new ATOM 0 HB3 CYS A 9 0.270 -4.061 0.151 1.00 0.00 H new ATOM 154 N ASN A 10 -1.064 -6.706 -2.566 1.00 0.00 N ATOM 155 CA ASN A 10 -1.088 -7.929 -3.417 1.00 0.00 C ATOM 156 C ASN A 10 -0.342 -7.664 -4.731 1.00 0.00 C ATOM 157 O ASN A 10 -0.652 -6.732 -5.441 1.00 0.00 O ATOM 158 CB ASN A 10 -2.569 -8.196 -3.689 1.00 0.00 C ATOM 159 CG ASN A 10 -2.746 -9.634 -4.183 1.00 0.00 C ATOM 160 OD1 ASN A 10 -1.797 -10.265 -4.600 1.00 0.00 O ATOM 161 ND2 ASN A 10 -3.932 -10.180 -4.154 1.00 0.00 N ATOM 0 H ASN A 10 -0.861 -5.840 -3.065 1.00 0.00 H new ATOM 0 HA ASN A 10 -0.604 -8.779 -2.936 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -3.151 -8.038 -2.781 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -2.945 -7.495 -4.434 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -4.061 -11.137 -4.482 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -4.729 -9.649 -3.803 1.00 0.00 H new ATOM 168 N PRO A 11 0.618 -8.501 -5.014 1.00 0.00 N ATOM 169 CA PRO A 11 1.411 -8.358 -6.261 1.00 0.00 C ATOM 170 C PRO A 11 0.529 -8.614 -7.487 1.00 0.00 C ATOM 171 O PRO A 11 0.901 -8.319 -8.606 1.00 0.00 O ATOM 172 CB PRO A 11 2.494 -9.426 -6.119 1.00 0.00 C ATOM 173 CG PRO A 11 1.909 -10.429 -5.179 1.00 0.00 C ATOM 174 CD PRO A 11 1.052 -9.649 -4.218 1.00 0.00 C ATOM 0 HA PRO A 11 1.827 -7.360 -6.398 1.00 0.00 H new ATOM 0 HB2 PRO A 11 2.735 -9.877 -7.081 1.00 0.00 H new ATOM 0 HB3 PRO A 11 3.418 -9.004 -5.724 1.00 0.00 H new ATOM 0 HG2 PRO A 11 1.317 -11.169 -5.717 1.00 0.00 H new ATOM 0 HG3 PRO A 11 2.693 -10.972 -4.650 1.00 0.00 H new ATOM 0 HD2 PRO A 11 0.205 -10.237 -3.865 1.00 0.00 H new ATOM 0 HD3 PRO A 11 1.614 -9.339 -3.337 1.00 0.00 H new ATOM 182 N ASN A 12 -0.643 -9.149 -7.282 1.00 0.00 N ATOM 183 CA ASN A 12 -1.559 -9.410 -8.429 1.00 0.00 C ATOM 184 C ASN A 12 -2.576 -8.269 -8.537 1.00 0.00 C ATOM 185 O ASN A 12 -3.270 -8.127 -9.523 1.00 0.00 O ATOM 186 CB ASN A 12 -2.258 -10.727 -8.089 1.00 0.00 C ATOM 187 CG ASN A 12 -2.833 -11.345 -9.363 1.00 0.00 C ATOM 188 OD1 ASN A 12 -2.300 -11.158 -10.438 1.00 0.00 O ATOM 189 ND2 ASN A 12 -3.908 -12.081 -9.288 1.00 0.00 N ATOM 0 H ASN A 12 -1.007 -9.417 -6.368 1.00 0.00 H new ATOM 0 HA ASN A 12 -1.035 -9.471 -9.383 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -1.552 -11.416 -7.625 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -3.055 -10.552 -7.366 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -4.300 -12.499 -10.132 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -4.356 -12.239 -8.385 1.00 0.00 H new ATOM 196 N ASP A 13 -2.657 -7.455 -7.521 1.00 0.00 N ATOM 197 CA ASP A 13 -3.612 -6.311 -7.536 1.00 0.00 C ATOM 198 C ASP A 13 -3.286 -5.375 -6.370 1.00 0.00 C ATOM 199 O ASP A 13 -4.134 -5.047 -5.564 1.00 0.00 O ATOM 200 CB ASP A 13 -4.996 -6.938 -7.357 1.00 0.00 C ATOM 201 CG ASP A 13 -4.938 -8.006 -6.263 1.00 0.00 C ATOM 202 OD1 ASP A 13 -4.462 -9.093 -6.548 1.00 0.00 O ATOM 203 OD2 ASP A 13 -5.370 -7.719 -5.159 1.00 0.00 O ATOM 0 H ASP A 13 -2.097 -7.534 -6.672 1.00 0.00 H new ATOM 0 HA ASP A 13 -3.560 -5.726 -8.454 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -5.723 -6.170 -7.091 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -5.329 -7.382 -8.295 1.00 0.00 H new ATOM 208 N ASP A 14 -2.054 -4.962 -6.273 1.00 0.00 N ATOM 209 CA ASP A 14 -1.645 -4.063 -5.155 1.00 0.00 C ATOM 210 C ASP A 14 -2.586 -2.865 -5.050 1.00 0.00 C ATOM 211 O ASP A 14 -2.901 -2.220 -6.031 1.00 0.00 O ATOM 212 CB ASP A 14 -0.231 -3.602 -5.513 1.00 0.00 C ATOM 213 CG ASP A 14 -0.173 -3.224 -6.994 1.00 0.00 C ATOM 214 OD1 ASP A 14 -1.206 -2.860 -7.533 1.00 0.00 O ATOM 215 OD2 ASP A 14 0.902 -3.304 -7.563 1.00 0.00 O ATOM 0 H ASP A 14 -1.308 -5.209 -6.923 1.00 0.00 H new ATOM 0 HA ASP A 14 -1.681 -4.572 -4.192 1.00 0.00 H new ATOM 0 HB2 ASP A 14 0.050 -2.747 -4.898 1.00 0.00 H new ATOM 0 HB3 ASP A 14 0.485 -4.396 -5.302 1.00 0.00 H new ATOM 220 N LYS A 15 -3.031 -2.553 -3.863 1.00 0.00 N ATOM 221 CA LYS A 15 -3.943 -1.389 -3.691 1.00 0.00 C ATOM 222 C LYS A 15 -3.185 -0.225 -3.049 1.00 0.00 C ATOM 223 O LYS A 15 -3.625 0.908 -3.084 1.00 0.00 O ATOM 224 CB LYS A 15 -5.059 -1.878 -2.767 1.00 0.00 C ATOM 225 CG LYS A 15 -5.981 -0.706 -2.421 1.00 0.00 C ATOM 226 CD LYS A 15 -7.300 -1.235 -1.855 1.00 0.00 C ATOM 227 CE LYS A 15 -8.458 -0.374 -2.368 1.00 0.00 C ATOM 228 NZ LYS A 15 -8.228 0.973 -1.775 1.00 0.00 N ATOM 0 H LYS A 15 -2.802 -3.055 -3.005 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.339 -1.032 -4.642 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -5.627 -2.671 -3.253 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -4.634 -2.302 -1.857 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -5.498 -0.054 -1.694 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -6.171 -0.106 -3.311 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -7.445 -2.273 -2.153 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -7.274 -1.216 -0.765 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -8.465 -0.330 -3.457 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -9.420 -0.782 -2.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -9.116 1.514 -1.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -7.899 0.869 -0.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -7.508 1.478 -2.330 1.00 0.00 H new ATOM 242 N CYS A 16 -2.046 -0.490 -2.464 1.00 0.00 N ATOM 243 CA CYS A 16 -1.268 0.611 -1.825 1.00 0.00 C ATOM 244 C CYS A 16 -1.239 1.827 -2.750 1.00 0.00 C ATOM 245 O CYS A 16 -1.238 1.694 -3.957 1.00 0.00 O ATOM 246 CB CYS A 16 0.148 0.058 -1.636 1.00 0.00 C ATOM 247 SG CYS A 16 1.072 1.161 -0.532 1.00 0.00 S ATOM 0 H CYS A 16 -1.623 -1.416 -2.401 1.00 0.00 H new ATOM 0 HA CYS A 16 -1.707 0.926 -0.878 1.00 0.00 H new ATOM 0 HB2 CYS A 16 0.106 -0.947 -1.215 1.00 0.00 H new ATOM 0 HB3 CYS A 16 0.653 -0.020 -2.599 1.00 0.00 H new ATOM 252 N CYS A 17 -1.204 3.010 -2.201 1.00 0.00 N ATOM 253 CA CYS A 17 -1.163 4.218 -3.070 1.00 0.00 C ATOM 254 C CYS A 17 -0.129 3.995 -4.178 1.00 0.00 C ATOM 255 O CYS A 17 0.661 3.074 -4.115 1.00 0.00 O ATOM 256 CB CYS A 17 -0.739 5.363 -2.148 1.00 0.00 C ATOM 257 SG CYS A 17 -1.864 5.453 -0.731 1.00 0.00 S ATOM 0 H CYS A 17 -1.202 3.191 -1.197 1.00 0.00 H new ATOM 0 HA CYS A 17 -2.118 4.434 -3.548 1.00 0.00 H new ATOM 0 HB2 CYS A 17 0.283 5.206 -1.804 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -0.750 6.306 -2.694 1.00 0.00 H new ATOM 262 N ARG A 18 -0.121 4.811 -5.193 1.00 0.00 N ATOM 263 CA ARG A 18 0.877 4.597 -6.282 1.00 0.00 C ATOM 264 C ARG A 18 1.986 5.669 -6.303 1.00 0.00 C ATOM 265 O ARG A 18 2.609 5.861 -7.328 1.00 0.00 O ATOM 266 CB ARG A 18 0.081 4.619 -7.598 1.00 0.00 C ATOM 267 CG ARG A 18 -1.078 5.617 -7.520 1.00 0.00 C ATOM 268 CD ARG A 18 -2.322 4.909 -6.975 1.00 0.00 C ATOM 269 NE ARG A 18 -3.352 5.976 -6.853 1.00 0.00 N ATOM 270 CZ ARG A 18 -4.608 5.696 -7.069 1.00 0.00 C ATOM 271 NH1 ARG A 18 -5.262 4.940 -6.227 1.00 0.00 N ATOM 272 NH2 ARG A 18 -5.211 6.169 -8.126 1.00 0.00 N ATOM 0 H ARG A 18 -0.750 5.605 -5.318 1.00 0.00 H new ATOM 0 HA ARG A 18 1.395 3.651 -6.127 1.00 0.00 H new ATOM 0 HB2 ARG A 18 0.742 4.887 -8.423 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -0.306 3.622 -7.810 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -0.810 6.453 -6.874 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -1.284 6.030 -8.507 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -2.652 4.118 -7.648 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -2.120 4.444 -6.010 1.00 0.00 H new ATOM 0 HE ARG A 18 -3.077 6.925 -6.601 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -4.791 4.569 -5.402 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -6.244 4.721 -6.395 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -4.700 6.758 -8.784 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -6.193 5.950 -8.294 1.00 0.00 H new ATOM 286 N PRO A 19 2.246 6.318 -5.184 1.00 0.00 N ATOM 287 CA PRO A 19 3.333 7.318 -5.162 1.00 0.00 C ATOM 288 C PRO A 19 4.679 6.596 -5.042 1.00 0.00 C ATOM 289 O PRO A 19 5.453 6.855 -4.145 1.00 0.00 O ATOM 290 CB PRO A 19 3.044 8.150 -3.918 1.00 0.00 C ATOM 291 CG PRO A 19 2.255 7.255 -3.017 1.00 0.00 C ATOM 292 CD PRO A 19 1.585 6.208 -3.876 1.00 0.00 C ATOM 0 HA PRO A 19 3.381 7.933 -6.060 1.00 0.00 H new ATOM 0 HB2 PRO A 19 3.968 8.474 -3.439 1.00 0.00 H new ATOM 0 HB3 PRO A 19 2.482 9.050 -4.169 1.00 0.00 H new ATOM 0 HG2 PRO A 19 2.906 6.785 -2.280 1.00 0.00 H new ATOM 0 HG3 PRO A 19 1.511 7.829 -2.465 1.00 0.00 H new ATOM 0 HD2 PRO A 19 1.708 5.211 -3.453 1.00 0.00 H new ATOM 0 HD3 PRO A 19 0.513 6.390 -3.958 1.00 0.00 H new ATOM 300 N LYS A 20 4.946 5.686 -5.948 1.00 0.00 N ATOM 301 CA LYS A 20 6.230 4.913 -5.929 1.00 0.00 C ATOM 302 C LYS A 20 6.221 3.840 -4.831 1.00 0.00 C ATOM 303 O LYS A 20 7.095 3.793 -3.988 1.00 0.00 O ATOM 304 CB LYS A 20 7.346 5.937 -5.684 1.00 0.00 C ATOM 305 CG LYS A 20 7.177 7.125 -6.638 1.00 0.00 C ATOM 306 CD LYS A 20 8.206 8.206 -6.301 1.00 0.00 C ATOM 307 CE LYS A 20 7.847 9.498 -7.039 1.00 0.00 C ATOM 308 NZ LYS A 20 8.251 9.258 -8.453 1.00 0.00 N ATOM 0 H LYS A 20 4.318 5.442 -6.713 1.00 0.00 H new ATOM 0 HA LYS A 20 6.378 4.384 -6.871 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.316 6.281 -4.650 1.00 0.00 H new ATOM 0 HB3 LYS A 20 8.320 5.471 -5.837 1.00 0.00 H new ATOM 0 HG2 LYS A 20 7.304 6.797 -7.670 1.00 0.00 H new ATOM 0 HG3 LYS A 20 6.169 7.530 -6.555 1.00 0.00 H new ATOM 0 HD2 LYS A 20 8.226 8.382 -5.225 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.204 7.876 -6.588 1.00 0.00 H new ATOM 0 HE2 LYS A 20 6.781 9.713 -6.964 1.00 0.00 H new ATOM 0 HE3 LYS A 20 8.375 10.353 -6.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 8.912 10.002 -8.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 8.715 8.331 -8.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 7.408 9.274 -9.062 1.00 0.00 H new ATOM 322 N LEU A 21 5.254 2.956 -4.855 1.00 0.00 N ATOM 323 CA LEU A 21 5.204 1.860 -3.837 1.00 0.00 C ATOM 324 C LEU A 21 4.785 0.554 -4.509 1.00 0.00 C ATOM 325 O LEU A 21 4.357 0.537 -5.646 1.00 0.00 O ATOM 326 CB LEU A 21 4.146 2.267 -2.812 1.00 0.00 C ATOM 327 CG LEU A 21 4.651 3.440 -1.974 1.00 0.00 C ATOM 328 CD1 LEU A 21 3.703 4.626 -2.140 1.00 0.00 C ATOM 329 CD2 LEU A 21 4.690 3.033 -0.499 1.00 0.00 C ATOM 0 H LEU A 21 4.496 2.946 -5.537 1.00 0.00 H new ATOM 0 HA LEU A 21 6.177 1.710 -3.368 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.223 2.544 -3.321 1.00 0.00 H new ATOM 0 HB3 LEU A 21 3.911 1.422 -2.165 1.00 0.00 H new ATOM 0 HG LEU A 21 5.652 3.718 -2.305 1.00 0.00 H new ATOM 0 HD11 LEU A 21 4.061 5.465 -1.543 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.666 4.918 -3.190 1.00 0.00 H new ATOM 0 HD13 LEU A 21 2.705 4.343 -1.806 1.00 0.00 H new ATOM 0 HD21 LEU A 21 5.050 3.869 0.100 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.688 2.757 -0.171 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.360 2.182 -0.374 1.00 0.00 H new ATOM 341 N LYS A 22 4.890 -0.538 -3.811 1.00 0.00 N ATOM 342 CA LYS A 22 4.484 -1.838 -4.399 1.00 0.00 C ATOM 343 C LYS A 22 4.303 -2.897 -3.307 1.00 0.00 C ATOM 344 O LYS A 22 5.070 -2.971 -2.367 1.00 0.00 O ATOM 345 CB LYS A 22 5.620 -2.224 -5.350 1.00 0.00 C ATOM 346 CG LYS A 22 5.056 -3.034 -6.520 1.00 0.00 C ATOM 347 CD LYS A 22 5.636 -4.450 -6.489 1.00 0.00 C ATOM 348 CE LYS A 22 6.612 -4.629 -7.656 1.00 0.00 C ATOM 349 NZ LYS A 22 7.396 -5.851 -7.319 1.00 0.00 N ATOM 0 H LYS A 22 5.241 -0.585 -2.855 1.00 0.00 H new ATOM 0 HA LYS A 22 3.528 -1.767 -4.919 1.00 0.00 H new ATOM 0 HB2 LYS A 22 6.118 -1.328 -5.721 1.00 0.00 H new ATOM 0 HB3 LYS A 22 6.371 -2.808 -4.818 1.00 0.00 H new ATOM 0 HG2 LYS A 22 3.969 -3.074 -6.457 1.00 0.00 H new ATOM 0 HG3 LYS A 22 5.303 -2.549 -7.464 1.00 0.00 H new ATOM 0 HD2 LYS A 22 6.148 -4.624 -5.543 1.00 0.00 H new ATOM 0 HD3 LYS A 22 4.833 -5.185 -6.556 1.00 0.00 H new ATOM 0 HE2 LYS A 22 6.081 -4.749 -8.600 1.00 0.00 H new ATOM 0 HE3 LYS A 22 7.262 -3.760 -7.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 8.087 -6.039 -8.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 7.896 -5.705 -6.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 6.752 -6.663 -7.229 1.00 0.00 H new ATOM 363 N CYS A 23 3.297 -3.721 -3.426 1.00 0.00 N ATOM 364 CA CYS A 23 3.069 -4.777 -2.400 1.00 0.00 C ATOM 365 C CYS A 23 4.367 -5.526 -2.101 1.00 0.00 C ATOM 366 O CYS A 23 5.225 -5.676 -2.949 1.00 0.00 O ATOM 367 CB CYS A 23 2.045 -5.735 -3.015 1.00 0.00 C ATOM 368 SG CYS A 23 1.753 -7.106 -1.870 1.00 0.00 S ATOM 0 H CYS A 23 2.623 -3.708 -4.191 1.00 0.00 H new ATOM 0 HA CYS A 23 2.719 -4.350 -1.461 1.00 0.00 H new ATOM 0 HB2 CYS A 23 1.112 -5.209 -3.217 1.00 0.00 H new ATOM 0 HB3 CYS A 23 2.411 -6.114 -3.969 1.00 0.00 H new ATOM 373 N SER A 24 4.509 -5.995 -0.897 1.00 0.00 N ATOM 374 CA SER A 24 5.734 -6.741 -0.511 1.00 0.00 C ATOM 375 C SER A 24 5.348 -8.000 0.267 1.00 0.00 C ATOM 376 O SER A 24 4.858 -7.929 1.384 1.00 0.00 O ATOM 377 CB SER A 24 6.499 -5.776 0.386 1.00 0.00 C ATOM 378 OG SER A 24 7.457 -5.069 -0.390 1.00 0.00 O ATOM 0 H SER A 24 3.819 -5.892 -0.153 1.00 0.00 H new ATOM 0 HA SER A 24 6.324 -7.061 -1.370 1.00 0.00 H new ATOM 0 HB2 SER A 24 5.809 -5.076 0.858 1.00 0.00 H new ATOM 0 HB3 SER A 24 6.996 -6.323 1.187 1.00 0.00 H new ATOM 0 HG SER A 24 8.053 -4.567 0.204 1.00 0.00 H new ATOM 384 N LYS A 25 5.562 -9.152 -0.312 1.00 0.00 N ATOM 385 CA LYS A 25 5.212 -10.418 0.392 1.00 0.00 C ATOM 386 C LYS A 25 6.009 -10.523 1.690 1.00 0.00 C ATOM 387 O LYS A 25 5.663 -11.272 2.583 1.00 0.00 O ATOM 388 CB LYS A 25 5.606 -11.536 -0.573 1.00 0.00 C ATOM 389 CG LYS A 25 4.920 -11.312 -1.921 1.00 0.00 C ATOM 390 CD LYS A 25 5.863 -11.728 -3.049 1.00 0.00 C ATOM 391 CE LYS A 25 5.578 -10.880 -4.291 1.00 0.00 C ATOM 392 NZ LYS A 25 5.597 -11.845 -5.425 1.00 0.00 N ATOM 0 H LYS A 25 5.964 -9.270 -1.242 1.00 0.00 H new ATOM 0 HA LYS A 25 4.156 -10.469 0.656 1.00 0.00 H new ATOM 0 HB2 LYS A 25 6.688 -11.555 -0.702 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.317 -12.504 -0.162 1.00 0.00 H new ATOM 0 HG2 LYS A 25 3.998 -11.890 -1.972 1.00 0.00 H new ATOM 0 HG3 LYS A 25 4.645 -10.263 -2.031 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.899 -11.599 -2.737 1.00 0.00 H new ATOM 0 HD3 LYS A 25 5.729 -12.785 -3.279 1.00 0.00 H new ATOM 0 HE2 LYS A 25 4.613 -10.379 -4.215 1.00 0.00 H new ATOM 0 HE3 LYS A 25 6.331 -10.103 -4.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 5.409 -11.339 -6.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.530 -12.302 -5.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 4.865 -12.569 -5.277 1.00 0.00 H new ATOM 406 N LEU A 26 7.072 -9.770 1.802 1.00 0.00 N ATOM 407 CA LEU A 26 7.892 -9.814 3.045 1.00 0.00 C ATOM 408 C LEU A 26 6.971 -9.863 4.261 1.00 0.00 C ATOM 409 O LEU A 26 7.198 -10.601 5.200 1.00 0.00 O ATOM 410 CB LEU A 26 8.694 -8.515 3.027 1.00 0.00 C ATOM 411 CG LEU A 26 9.683 -8.538 1.862 1.00 0.00 C ATOM 412 CD1 LEU A 26 10.617 -7.330 1.962 1.00 0.00 C ATOM 413 CD2 LEU A 26 10.508 -9.826 1.919 1.00 0.00 C ATOM 0 H LEU A 26 7.407 -9.126 1.085 1.00 0.00 H new ATOM 0 HA LEU A 26 8.540 -10.689 3.096 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.022 -7.662 2.930 1.00 0.00 H new ATOM 0 HB3 LEU A 26 9.229 -8.393 3.969 1.00 0.00 H new ATOM 0 HG LEU A 26 9.136 -8.498 0.920 1.00 0.00 H new ATOM 0 HD11 LEU A 26 11.323 -7.346 1.131 1.00 0.00 H new ATOM 0 HD12 LEU A 26 10.030 -6.412 1.922 1.00 0.00 H new ATOM 0 HD13 LEU A 26 11.164 -7.370 2.904 1.00 0.00 H new ATOM 0 HD21 LEU A 26 11.214 -9.843 1.088 1.00 0.00 H new ATOM 0 HD22 LEU A 26 11.055 -9.866 2.861 1.00 0.00 H new ATOM 0 HD23 LEU A 26 9.844 -10.687 1.848 1.00 0.00 H new ATOM 425 N PHE A 27 5.924 -9.088 4.241 1.00 0.00 N ATOM 426 CA PHE A 27 4.972 -9.089 5.382 1.00 0.00 C ATOM 427 C PHE A 27 3.541 -8.929 4.869 1.00 0.00 C ATOM 428 O PHE A 27 2.628 -8.657 5.623 1.00 0.00 O ATOM 429 CB PHE A 27 5.371 -7.898 6.240 1.00 0.00 C ATOM 430 CG PHE A 27 6.648 -8.233 6.966 1.00 0.00 C ATOM 431 CD1 PHE A 27 6.601 -8.960 8.158 1.00 0.00 C ATOM 432 CD2 PHE A 27 7.879 -7.831 6.435 1.00 0.00 C ATOM 433 CE1 PHE A 27 7.786 -9.286 8.826 1.00 0.00 C ATOM 434 CE2 PHE A 27 9.065 -8.158 7.101 1.00 0.00 C ATOM 435 CZ PHE A 27 9.020 -8.885 8.297 1.00 0.00 C ATOM 0 H PHE A 27 5.687 -8.452 3.480 1.00 0.00 H new ATOM 0 HA PHE A 27 5.007 -10.020 5.947 1.00 0.00 H new ATOM 0 HB2 PHE A 27 5.511 -7.014 5.618 1.00 0.00 H new ATOM 0 HB3 PHE A 27 4.581 -7.664 6.953 1.00 0.00 H new ATOM 0 HD1 PHE A 27 5.650 -9.270 8.564 1.00 0.00 H new ATOM 0 HD2 PHE A 27 7.913 -7.270 5.513 1.00 0.00 H new ATOM 0 HE1 PHE A 27 7.750 -9.846 9.749 1.00 0.00 H new ATOM 0 HE2 PHE A 27 10.016 -7.850 6.692 1.00 0.00 H new ATOM 0 HZ PHE A 27 9.936 -9.136 8.811 1.00 0.00 H new ATOM 445 N LYS A 28 3.337 -9.104 3.587 1.00 0.00 N ATOM 446 CA LYS A 28 1.960 -8.972 3.012 1.00 0.00 C ATOM 447 C LYS A 28 1.547 -7.500 2.981 1.00 0.00 C ATOM 448 O LYS A 28 0.374 -7.172 2.912 1.00 0.00 O ATOM 449 CB LYS A 28 1.033 -9.762 3.948 1.00 0.00 C ATOM 450 CG LYS A 28 1.755 -11.000 4.492 1.00 0.00 C ATOM 451 CD LYS A 28 0.823 -12.211 4.427 1.00 0.00 C ATOM 452 CE LYS A 28 0.713 -12.845 5.815 1.00 0.00 C ATOM 453 NZ LYS A 28 -0.546 -13.639 5.774 1.00 0.00 N ATOM 0 H LYS A 28 4.066 -9.333 2.911 1.00 0.00 H new ATOM 0 HA LYS A 28 1.912 -9.350 1.991 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.713 -9.127 4.774 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.134 -10.064 3.411 1.00 0.00 H new ATOM 0 HG2 LYS A 28 2.657 -11.192 3.911 1.00 0.00 H new ATOM 0 HG3 LYS A 28 2.070 -10.826 5.521 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -0.163 -11.906 4.076 1.00 0.00 H new ATOM 0 HD3 LYS A 28 1.205 -12.940 3.712 1.00 0.00 H new ATOM 0 HE2 LYS A 28 1.573 -13.479 6.029 1.00 0.00 H new ATOM 0 HE3 LYS A 28 0.675 -12.085 6.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -0.692 -14.106 6.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -1.348 -13.008 5.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -0.478 -14.359 5.027 1.00 0.00 H new ATOM 467 N LEU A 29 2.499 -6.610 3.029 1.00 0.00 N ATOM 468 CA LEU A 29 2.154 -5.159 3.005 1.00 0.00 C ATOM 469 C LEU A 29 2.845 -4.478 1.831 1.00 0.00 C ATOM 470 O LEU A 29 3.628 -5.083 1.130 1.00 0.00 O ATOM 471 CB LEU A 29 2.659 -4.589 4.335 1.00 0.00 C ATOM 472 CG LEU A 29 2.396 -5.593 5.461 1.00 0.00 C ATOM 473 CD1 LEU A 29 2.982 -5.059 6.768 1.00 0.00 C ATOM 474 CD2 LEU A 29 0.886 -5.794 5.620 1.00 0.00 C ATOM 0 H LEU A 29 3.495 -6.822 3.083 1.00 0.00 H new ATOM 0 HA LEU A 29 1.083 -4.997 2.886 1.00 0.00 H new ATOM 0 HB2 LEU A 29 3.726 -4.374 4.268 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.157 -3.646 4.551 1.00 0.00 H new ATOM 0 HG LEU A 29 2.866 -6.546 5.217 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.795 -5.774 7.569 1.00 0.00 H new ATOM 0 HD12 LEU A 29 4.056 -4.916 6.653 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.513 -4.106 7.015 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.696 -6.508 6.421 1.00 0.00 H new ATOM 0 HD22 LEU A 29 0.416 -4.841 5.864 1.00 0.00 H new ATOM 0 HD23 LEU A 29 0.470 -6.175 4.688 1.00 0.00 H new ATOM 486 N CYS A 30 2.556 -3.230 1.597 1.00 0.00 N ATOM 487 CA CYS A 30 3.190 -2.533 0.450 1.00 0.00 C ATOM 488 C CYS A 30 4.399 -1.709 0.894 1.00 0.00 C ATOM 489 O CYS A 30 4.464 -1.219 2.003 1.00 0.00 O ATOM 490 CB CYS A 30 2.079 -1.644 -0.117 1.00 0.00 C ATOM 491 SG CYS A 30 1.978 -0.078 0.782 1.00 0.00 S ATOM 0 H CYS A 30 1.910 -2.665 2.149 1.00 0.00 H new ATOM 0 HA CYS A 30 3.578 -3.230 -0.293 1.00 0.00 H new ATOM 0 HB2 CYS A 30 2.267 -1.450 -1.173 1.00 0.00 H new ATOM 0 HB3 CYS A 30 1.124 -2.165 -0.054 1.00 0.00 H new ATOM 496 N ASN A 31 5.352 -1.551 0.021 1.00 0.00 N ATOM 497 CA ASN A 31 6.564 -0.753 0.368 1.00 0.00 C ATOM 498 C ASN A 31 6.905 0.195 -0.785 1.00 0.00 C ATOM 499 O ASN A 31 6.035 0.794 -1.385 1.00 0.00 O ATOM 500 CB ASN A 31 7.673 -1.786 0.573 1.00 0.00 C ATOM 501 CG ASN A 31 8.768 -1.197 1.468 1.00 0.00 C ATOM 502 OD1 ASN A 31 8.436 -0.518 2.532 1.00 0.00 O flip ATOM 503 ND2 ASN A 31 9.942 -1.359 1.194 1.00 0.00 N flip ATOM 0 H ASN A 31 5.346 -1.940 -0.922 1.00 0.00 H new ATOM 0 HA ASN A 31 6.423 -0.137 1.256 1.00 0.00 H new ATOM 0 HB2 ASN A 31 7.264 -2.688 1.028 1.00 0.00 H new ATOM 0 HB3 ASN A 31 8.094 -2.078 -0.389 1.00 0.00 H new ATOM 0 HD21 ASN A 31 10.203 -1.889 0.363 1.00 0.00 H new ATOM 0 HD22 ASN A 31 10.665 -0.964 1.795 1.00 0.00 H new ATOM 510 N PHE A 32 8.161 0.336 -1.107 1.00 0.00 N ATOM 511 CA PHE A 32 8.541 1.244 -2.225 1.00 0.00 C ATOM 512 C PHE A 32 8.249 0.567 -3.567 1.00 0.00 C ATOM 513 O PHE A 32 7.485 -0.375 -3.643 1.00 0.00 O ATOM 514 CB PHE A 32 10.043 1.476 -2.057 1.00 0.00 C ATOM 515 CG PHE A 32 10.288 2.885 -1.570 1.00 0.00 C ATOM 516 CD1 PHE A 32 9.726 3.971 -2.253 1.00 0.00 C ATOM 517 CD2 PHE A 32 11.079 3.105 -0.436 1.00 0.00 C ATOM 518 CE1 PHE A 32 9.955 5.276 -1.800 1.00 0.00 C ATOM 519 CE2 PHE A 32 11.309 4.409 0.016 1.00 0.00 C ATOM 520 CZ PHE A 32 10.747 5.495 -0.666 1.00 0.00 C ATOM 0 H PHE A 32 8.938 -0.137 -0.646 1.00 0.00 H new ATOM 0 HA PHE A 32 7.983 2.180 -2.208 1.00 0.00 H new ATOM 0 HB2 PHE A 32 10.455 0.759 -1.347 1.00 0.00 H new ATOM 0 HB3 PHE A 32 10.554 1.315 -3.006 1.00 0.00 H new ATOM 0 HD1 PHE A 32 9.116 3.802 -3.128 1.00 0.00 H new ATOM 0 HD2 PHE A 32 11.512 2.267 0.090 1.00 0.00 H new ATOM 0 HE1 PHE A 32 9.521 6.114 -2.325 1.00 0.00 H new ATOM 0 HE2 PHE A 32 11.920 4.578 0.891 1.00 0.00 H new ATOM 0 HZ PHE A 32 10.924 6.502 -0.317 1.00 0.00 H new ATOM 530 N SER A 33 8.853 1.033 -4.623 1.00 0.00 N ATOM 531 CA SER A 33 8.610 0.410 -5.956 1.00 0.00 C ATOM 532 C SER A 33 9.904 0.383 -6.771 1.00 0.00 C ATOM 533 O SER A 33 10.178 -0.557 -7.490 1.00 0.00 O ATOM 534 CB SER A 33 7.569 1.302 -6.630 1.00 0.00 C ATOM 535 OG SER A 33 6.999 0.610 -7.733 1.00 0.00 O ATOM 0 H SER A 33 9.504 1.818 -4.622 1.00 0.00 H new ATOM 0 HA SER A 33 8.267 -0.621 -5.872 1.00 0.00 H new ATOM 0 HB2 SER A 33 6.791 1.575 -5.917 1.00 0.00 H new ATOM 0 HB3 SER A 33 8.032 2.229 -6.968 1.00 0.00 H new ATOM 0 HG SER A 33 6.330 1.180 -8.166 1.00 0.00 H new ATOM 541 N PHE A 34 10.702 1.407 -6.662 1.00 0.00 N ATOM 542 CA PHE A 34 11.980 1.442 -7.429 1.00 0.00 C ATOM 543 C PHE A 34 13.157 1.691 -6.482 1.00 0.00 C ATOM 544 O PHE A 34 13.027 1.374 -5.301 1.00 0.00 O ATOM 545 CB PHE A 34 11.825 2.609 -8.405 1.00 0.00 C ATOM 546 CG PHE A 34 11.723 2.080 -9.815 1.00 0.00 C ATOM 547 CD1 PHE A 34 10.800 1.074 -10.123 1.00 0.00 C ATOM 548 CD2 PHE A 34 12.552 2.599 -10.816 1.00 0.00 C ATOM 549 CE1 PHE A 34 10.706 0.585 -11.432 1.00 0.00 C ATOM 550 CE2 PHE A 34 12.459 2.111 -12.126 1.00 0.00 C ATOM 551 CZ PHE A 34 11.535 1.104 -12.433 1.00 0.00 C ATOM 0 H PHE A 34 10.526 2.222 -6.075 1.00 0.00 H new ATOM 0 HA PHE A 34 12.178 0.502 -7.944 1.00 0.00 H new ATOM 0 HB2 PHE A 34 10.935 3.187 -8.158 1.00 0.00 H new ATOM 0 HB3 PHE A 34 12.677 3.283 -8.320 1.00 0.00 H new ATOM 0 HD1 PHE A 34 10.160 0.674 -9.351 1.00 0.00 H new ATOM 0 HD2 PHE A 34 13.264 3.376 -10.579 1.00 0.00 H new ATOM 0 HE1 PHE A 34 9.994 -0.192 -11.669 1.00 0.00 H new ATOM 0 HE2 PHE A 34 13.099 2.511 -12.898 1.00 0.00 H new ATOM 0 HZ PHE A 34 11.462 0.728 -13.443 1.00 0.00 H new HETATM 561 N NH2 A 35 14.302 2.257 -7.006 1.00 0.00 N TER 564 NH2 A 35