USER MOD reduce.3.24.130724 H: found=0, std=0, add=408, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 408 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 13 SER OG : rot 121:sc= 0.848 USER MOD Single : A 14 GLN : amide:sc= -1.39 K(o=-1.4,f=-2.1) USER MOD Single : A 18 THR OG1 : rot 92:sc= 0.668 USER MOD Single : A 19 LYS NZ :NH3+ -167:sc= -0.0323 (180deg=-0.213) USER MOD Single : A 22 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 24 GLN : amide:sc= -0.82 K(o=-0.82,f=-2.1!) USER MOD Single : A 26 ASN : amide:sc= 0.271 X(o=0.27,f=-0.1) USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -120:sc= 0 (180deg=-0.764) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 45 GLN :FLIP amide:sc= -1.65 F(o=-3!,f=-1.6) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.480 15.897 -18.881 1.00 0.00 N ATOM 2 CA GLY A 1 1.531 15.187 -20.188 1.00 0.00 C ATOM 3 C GLY A 1 0.179 14.643 -20.607 1.00 0.00 C ATOM 4 O GLY A 1 -0.501 15.233 -21.447 1.00 0.00 O ATOM 0 H1 GLY A 1 2.428 16.249 -18.640 1.00 0.00 H new ATOM 0 H2 GLY A 1 0.819 16.698 -18.946 1.00 0.00 H new ATOM 0 H3 GLY A 1 1.156 15.241 -18.142 1.00 0.00 H new ATOM 0 HA2 GLY A 1 1.898 15.870 -20.955 1.00 0.00 H new ATOM 0 HA3 GLY A 1 2.245 14.366 -20.124 1.00 0.00 H new ATOM 10 N ARG A 2 -0.213 13.517 -20.019 1.00 0.00 N ATOM 11 CA ARG A 2 -1.492 12.893 -20.338 1.00 0.00 C ATOM 12 C ARG A 2 -2.562 13.309 -19.332 1.00 0.00 C ATOM 13 O ARG A 2 -2.450 13.026 -18.139 1.00 0.00 O ATOM 14 CB ARG A 2 -1.349 11.370 -20.354 1.00 0.00 C ATOM 15 CG ARG A 2 -2.519 10.656 -21.011 1.00 0.00 C ATOM 16 CD ARG A 2 -2.275 9.157 -21.101 1.00 0.00 C ATOM 17 NE ARG A 2 -3.294 8.484 -21.903 1.00 0.00 N ATOM 18 CZ ARG A 2 -3.320 7.172 -22.116 1.00 0.00 C ATOM 19 NH1 ARG A 2 -2.396 6.390 -21.573 1.00 0.00 N ATOM 20 NH2 ARG A 2 -4.272 6.638 -22.870 1.00 0.00 N ATOM 0 H ARG A 2 0.337 13.018 -19.319 1.00 0.00 H new ATOM 0 HA ARG A 2 -1.800 13.230 -21.328 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -0.431 11.105 -20.879 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -1.245 11.012 -19.330 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -3.429 10.844 -20.441 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -2.679 11.061 -22.010 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -1.292 8.975 -21.536 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -2.263 8.731 -20.098 1.00 0.00 H new ATOM 0 HE ARG A 2 -4.028 9.054 -22.324 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -1.663 6.795 -20.990 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -2.418 5.384 -21.738 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -4.986 7.234 -23.288 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -4.290 5.631 -23.032 1.00 0.00 H new ATOM 34 N ARG A 3 -3.598 13.981 -19.824 1.00 0.00 N ATOM 35 CA ARG A 3 -4.688 14.444 -18.972 1.00 0.00 C ATOM 36 C ARG A 3 -5.405 13.271 -18.307 1.00 0.00 C ATOM 37 O ARG A 3 -6.093 13.444 -17.301 1.00 0.00 O ATOM 38 CB ARG A 3 -5.688 15.273 -19.787 1.00 0.00 C ATOM 39 CG ARG A 3 -6.640 14.443 -20.638 1.00 0.00 C ATOM 40 CD ARG A 3 -5.914 13.730 -21.769 1.00 0.00 C ATOM 41 NE ARG A 3 -5.215 14.665 -22.646 1.00 0.00 N ATOM 42 CZ ARG A 3 -5.420 14.740 -23.958 1.00 0.00 C ATOM 43 NH1 ARG A 3 -6.311 13.949 -24.540 1.00 0.00 N ATOM 44 NH2 ARG A 3 -4.736 15.610 -24.689 1.00 0.00 N ATOM 0 H ARG A 3 -3.706 14.217 -20.810 1.00 0.00 H new ATOM 0 HA ARG A 3 -4.258 15.070 -18.190 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -6.273 15.890 -19.105 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -5.136 15.952 -20.437 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -7.143 13.708 -20.009 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -7.413 15.089 -21.053 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -5.199 13.022 -21.351 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -6.631 13.152 -22.353 1.00 0.00 H new ATOM 0 HE ARG A 3 -4.531 15.296 -22.229 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -6.842 13.281 -23.981 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -6.466 14.009 -25.546 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -4.052 16.223 -24.245 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -4.894 15.666 -25.695 1.00 0.00 H new ATOM 58 N ARG A 4 -5.242 12.080 -18.876 1.00 0.00 N ATOM 59 CA ARG A 4 -5.877 10.883 -18.337 1.00 0.00 C ATOM 60 C ARG A 4 -5.274 10.505 -16.987 1.00 0.00 C ATOM 61 O ARG A 4 -4.055 10.510 -16.814 1.00 0.00 O ATOM 62 CB ARG A 4 -5.739 9.719 -19.319 1.00 0.00 C ATOM 63 CG ARG A 4 -6.511 8.478 -18.901 1.00 0.00 C ATOM 64 CD ARG A 4 -6.480 7.412 -19.985 1.00 0.00 C ATOM 65 NE ARG A 4 -7.078 7.885 -21.231 1.00 0.00 N ATOM 66 CZ ARG A 4 -7.326 7.102 -22.276 1.00 0.00 C ATOM 67 NH1 ARG A 4 -7.026 5.811 -22.231 1.00 0.00 N ATOM 68 NH2 ARG A 4 -7.876 7.613 -23.371 1.00 0.00 N ATOM 0 H ARG A 4 -4.676 11.919 -19.709 1.00 0.00 H new ATOM 0 HA ARG A 4 -6.935 11.099 -18.191 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -6.086 10.040 -20.301 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -4.684 9.464 -19.422 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -6.086 8.076 -17.981 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -7.545 8.747 -18.683 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -5.449 7.111 -20.169 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -7.014 6.527 -19.639 1.00 0.00 H new ATOM 0 HE ARG A 4 -7.319 8.873 -21.303 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -6.603 5.415 -21.392 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -7.218 5.214 -23.036 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -8.108 8.606 -23.410 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -8.067 7.013 -24.174 1.00 0.00 H new ATOM 82 N ARG A 5 -6.144 10.179 -16.036 1.00 0.00 N ATOM 83 CA ARG A 5 -5.712 9.801 -14.693 1.00 0.00 C ATOM 84 C ARG A 5 -5.063 8.419 -14.683 1.00 0.00 C ATOM 85 O ARG A 5 -3.902 8.273 -14.305 1.00 0.00 O ATOM 86 CB ARG A 5 -6.895 9.834 -13.718 1.00 0.00 C ATOM 87 CG ARG A 5 -8.155 9.159 -14.240 1.00 0.00 C ATOM 88 CD ARG A 5 -9.260 9.162 -13.197 1.00 0.00 C ATOM 89 NE ARG A 5 -8.892 8.406 -12.003 1.00 0.00 N ATOM 90 CZ ARG A 5 -9.393 8.648 -10.795 1.00 0.00 C ATOM 91 NH1 ARG A 5 -10.270 9.628 -10.623 1.00 0.00 N ATOM 92 NH2 ARG A 5 -9.015 7.912 -9.759 1.00 0.00 N ATOM 0 H ARG A 5 -7.155 10.169 -16.170 1.00 0.00 H new ATOM 0 HA ARG A 5 -4.966 10.527 -14.371 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -6.597 9.351 -12.787 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -7.125 10.872 -13.479 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -8.499 9.672 -15.138 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -7.927 8.133 -14.527 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -9.491 10.190 -12.918 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -10.166 8.738 -13.629 1.00 0.00 H new ATOM 0 HE ARG A 5 -8.213 7.651 -12.101 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -10.561 10.197 -11.418 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -10.653 9.812 -9.696 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -8.339 7.159 -9.888 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -9.400 8.099 -8.833 1.00 0.00 H new ATOM 106 N SER A 6 -5.817 7.406 -15.098 1.00 0.00 N ATOM 107 CA SER A 6 -5.312 6.038 -15.130 1.00 0.00 C ATOM 108 C SER A 6 -4.488 5.790 -16.388 1.00 0.00 C ATOM 109 O SER A 6 -4.880 6.183 -17.486 1.00 0.00 O ATOM 110 CB SER A 6 -6.467 5.039 -15.060 1.00 0.00 C ATOM 111 OG SER A 6 -7.375 5.232 -16.130 1.00 0.00 O ATOM 0 H SER A 6 -6.781 7.507 -15.417 1.00 0.00 H new ATOM 0 HA SER A 6 -4.669 5.898 -14.261 1.00 0.00 H new ATOM 0 HB2 SER A 6 -6.075 4.022 -15.091 1.00 0.00 H new ATOM 0 HB3 SER A 6 -6.991 5.150 -14.110 1.00 0.00 H new ATOM 0 HG SER A 6 -8.103 4.580 -16.063 1.00 0.00 H new ATOM 117 N VAL A 7 -3.348 5.133 -16.217 1.00 0.00 N ATOM 118 CA VAL A 7 -2.464 4.830 -17.334 1.00 0.00 C ATOM 119 C VAL A 7 -2.555 3.351 -17.708 1.00 0.00 C ATOM 120 O VAL A 7 -3.512 2.670 -17.337 1.00 0.00 O ATOM 121 CB VAL A 7 -1.002 5.200 -17.007 1.00 0.00 C ATOM 122 CG1 VAL A 7 -0.364 5.935 -18.179 1.00 0.00 C ATOM 123 CG2 VAL A 7 -0.931 6.048 -15.745 1.00 0.00 C ATOM 0 H VAL A 7 -3.014 4.799 -15.313 1.00 0.00 H new ATOM 0 HA VAL A 7 -2.789 5.431 -18.183 1.00 0.00 H new ATOM 0 HB VAL A 7 -0.447 4.279 -16.832 1.00 0.00 H new ATOM 0 HG11 VAL A 7 0.667 6.189 -17.932 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -0.379 5.295 -19.061 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -0.923 6.848 -18.384 1.00 0.00 H new ATOM 0 HG21 VAL A 7 0.108 6.298 -15.532 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -1.502 6.965 -15.890 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -1.348 5.489 -14.907 1.00 0.00 H new ATOM 133 N GLN A 8 -1.561 2.858 -18.440 1.00 0.00 N ATOM 134 CA GLN A 8 -1.554 1.465 -18.879 1.00 0.00 C ATOM 135 C GLN A 8 -0.303 0.723 -18.419 1.00 0.00 C ATOM 136 O GLN A 8 0.470 0.218 -19.236 1.00 0.00 O ATOM 137 CB GLN A 8 -1.659 1.412 -20.398 1.00 0.00 C ATOM 138 CG GLN A 8 -0.631 2.282 -21.101 1.00 0.00 C ATOM 139 CD GLN A 8 -0.780 2.263 -22.609 1.00 0.00 C ATOM 140 OE1 GLN A 8 -1.882 2.104 -23.135 1.00 0.00 O ATOM 141 NE2 GLN A 8 0.333 2.422 -23.316 1.00 0.00 N ATOM 0 H GLN A 8 -0.751 3.400 -18.742 1.00 0.00 H new ATOM 0 HA GLN A 8 -2.411 0.968 -18.425 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -1.538 0.380 -20.728 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -2.658 1.728 -20.698 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -0.724 3.308 -20.744 1.00 0.00 H new ATOM 0 HG3 GLN A 8 0.370 1.942 -20.835 1.00 0.00 H new ATOM 0 HE21 GLN A 8 1.226 2.551 -22.840 1.00 0.00 H new ATOM 0 HE22 GLN A 8 0.295 2.415 -24.335 1.00 0.00 H new ATOM 150 N TRP A 9 -0.110 0.655 -17.109 1.00 0.00 N ATOM 151 CA TRP A 9 1.040 -0.036 -16.538 1.00 0.00 C ATOM 152 C TRP A 9 0.666 -0.697 -15.206 1.00 0.00 C ATOM 153 O TRP A 9 -0.472 -1.133 -15.031 1.00 0.00 O ATOM 154 CB TRP A 9 2.231 0.925 -16.391 1.00 0.00 C ATOM 155 CG TRP A 9 1.904 2.237 -15.744 1.00 0.00 C ATOM 156 CD1 TRP A 9 0.715 2.612 -15.188 1.00 0.00 C ATOM 157 CD2 TRP A 9 2.788 3.353 -15.592 1.00 0.00 C ATOM 158 NE1 TRP A 9 0.803 3.894 -14.710 1.00 0.00 N ATOM 159 CE2 TRP A 9 2.067 4.370 -14.941 1.00 0.00 C ATOM 160 CE3 TRP A 9 4.120 3.591 -15.945 1.00 0.00 C ATOM 161 CZ2 TRP A 9 2.632 5.605 -14.635 1.00 0.00 C ATOM 162 CZ3 TRP A 9 4.682 4.817 -15.639 1.00 0.00 C ATOM 163 CH2 TRP A 9 3.938 5.810 -14.989 1.00 0.00 C ATOM 0 H TRP A 9 -0.736 1.071 -16.419 1.00 0.00 H new ATOM 0 HA TRP A 9 1.347 -0.830 -17.219 1.00 0.00 H new ATOM 0 HB2 TRP A 9 3.008 0.432 -15.807 1.00 0.00 H new ATOM 0 HB3 TRP A 9 2.649 1.117 -17.379 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -0.166 1.990 -15.133 1.00 0.00 H new ATOM 0 HE1 TRP A 9 0.049 4.410 -14.256 1.00 0.00 H new ATOM 0 HE3 TRP A 9 4.700 2.831 -16.448 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 2.060 6.374 -14.136 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 5.710 5.012 -15.905 1.00 0.00 H new ATOM 0 HH2 TRP A 9 4.405 6.757 -14.762 1.00 0.00 H new ATOM 174 N CYS A 10 1.611 -0.774 -14.270 1.00 0.00 N ATOM 175 CA CYS A 10 1.349 -1.411 -12.984 1.00 0.00 C ATOM 176 C CYS A 10 1.139 -0.391 -11.869 1.00 0.00 C ATOM 177 O CYS A 10 1.063 -0.751 -10.695 1.00 0.00 O ATOM 178 CB CYS A 10 2.493 -2.356 -12.625 1.00 0.00 C ATOM 179 SG CYS A 10 4.129 -1.561 -12.534 1.00 0.00 S ATOM 0 H CYS A 10 2.556 -0.406 -14.378 1.00 0.00 H new ATOM 0 HA CYS A 10 0.424 -1.979 -13.083 1.00 0.00 H new ATOM 0 HB2 CYS A 10 2.275 -2.821 -11.664 1.00 0.00 H new ATOM 0 HB3 CYS A 10 2.532 -3.156 -13.364 1.00 0.00 H new ATOM 184 N ALA A 11 1.046 0.879 -12.238 1.00 0.00 N ATOM 185 CA ALA A 11 0.829 1.938 -11.258 1.00 0.00 C ATOM 186 C ALA A 11 -0.635 1.998 -10.843 1.00 0.00 C ATOM 187 O ALA A 11 -0.952 2.175 -9.667 1.00 0.00 O ATOM 188 CB ALA A 11 1.274 3.281 -11.812 1.00 0.00 C ATOM 0 H ALA A 11 1.117 1.202 -13.203 1.00 0.00 H new ATOM 0 HA ALA A 11 1.429 1.710 -10.377 1.00 0.00 H new ATOM 0 HB1 ALA A 11 1.104 4.057 -11.066 1.00 0.00 H new ATOM 0 HB2 ALA A 11 2.335 3.240 -12.057 1.00 0.00 H new ATOM 0 HB3 ALA A 11 0.703 3.511 -12.711 1.00 0.00 H new ATOM 194 N VAL A 12 -1.523 1.849 -11.821 1.00 0.00 N ATOM 195 CA VAL A 12 -2.956 1.882 -11.568 1.00 0.00 C ATOM 196 C VAL A 12 -3.577 0.499 -11.734 1.00 0.00 C ATOM 197 O VAL A 12 -4.667 0.358 -12.291 1.00 0.00 O ATOM 198 CB VAL A 12 -3.665 2.862 -12.515 1.00 0.00 C ATOM 199 CG1 VAL A 12 -3.428 4.298 -12.074 1.00 0.00 C ATOM 200 CG2 VAL A 12 -3.201 2.651 -13.947 1.00 0.00 C ATOM 0 H VAL A 12 -1.272 1.704 -12.799 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.089 2.216 -10.539 1.00 0.00 H new ATOM 0 HB VAL A 12 -4.737 2.667 -12.474 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -3.938 4.977 -12.757 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -3.817 4.438 -11.065 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.359 4.510 -12.083 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -3.714 3.354 -14.603 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -2.125 2.816 -14.009 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -3.430 1.632 -14.257 1.00 0.00 H new ATOM 210 N SER A 13 -2.878 -0.516 -11.247 1.00 0.00 N ATOM 211 CA SER A 13 -3.355 -1.891 -11.339 1.00 0.00 C ATOM 212 C SER A 13 -3.149 -2.633 -10.022 1.00 0.00 C ATOM 213 O SER A 13 -3.923 -3.525 -9.676 1.00 0.00 O ATOM 214 CB SER A 13 -2.634 -2.625 -12.470 1.00 0.00 C ATOM 215 OG SER A 13 -2.868 -1.995 -13.717 1.00 0.00 O ATOM 0 H SER A 13 -1.976 -0.414 -10.782 1.00 0.00 H new ATOM 0 HA SER A 13 -4.424 -1.864 -11.553 1.00 0.00 H new ATOM 0 HB2 SER A 13 -1.563 -2.650 -12.267 1.00 0.00 H new ATOM 0 HB3 SER A 13 -2.975 -3.659 -12.512 1.00 0.00 H new ATOM 0 HG SER A 13 -2.013 -1.724 -14.112 1.00 0.00 H new ATOM 221 N GLN A 14 -2.103 -2.257 -9.291 1.00 0.00 N ATOM 222 CA GLN A 14 -1.801 -2.890 -8.014 1.00 0.00 C ATOM 223 C GLN A 14 -1.572 -1.842 -6.925 1.00 0.00 C ATOM 224 O GLN A 14 -0.896 -0.839 -7.157 1.00 0.00 O ATOM 225 CB GLN A 14 -0.565 -3.786 -8.143 1.00 0.00 C ATOM 226 CG GLN A 14 0.703 -3.029 -8.506 1.00 0.00 C ATOM 227 CD GLN A 14 1.917 -3.932 -8.598 1.00 0.00 C ATOM 228 OE1 GLN A 14 1.996 -4.957 -7.922 1.00 0.00 O ATOM 229 NE2 GLN A 14 2.873 -3.554 -9.438 1.00 0.00 N ATOM 0 H GLN A 14 -1.453 -1.519 -9.562 1.00 0.00 H new ATOM 0 HA GLN A 14 -2.657 -3.502 -7.730 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -0.407 -4.311 -7.201 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -0.755 -4.545 -8.902 1.00 0.00 H new ATOM 0 HG2 GLN A 14 0.559 -2.523 -9.461 1.00 0.00 H new ATOM 0 HG3 GLN A 14 0.886 -2.256 -7.760 1.00 0.00 H new ATOM 0 HE21 GLN A 14 2.766 -2.696 -9.979 1.00 0.00 H new ATOM 0 HE22 GLN A 14 3.714 -4.121 -9.542 1.00 0.00 H new ATOM 238 N PRO A 15 -2.137 -2.055 -5.720 1.00 0.00 N ATOM 239 CA PRO A 15 -1.978 -1.122 -4.600 1.00 0.00 C ATOM 240 C PRO A 15 -0.534 -1.054 -4.116 1.00 0.00 C ATOM 241 O PRO A 15 -0.045 -1.981 -3.470 1.00 0.00 O ATOM 242 CB PRO A 15 -2.884 -1.700 -3.502 1.00 0.00 C ATOM 243 CG PRO A 15 -3.770 -2.682 -4.194 1.00 0.00 C ATOM 244 CD PRO A 15 -2.975 -3.207 -5.353 1.00 0.00 C ATOM 0 HA PRO A 15 -2.240 -0.103 -4.883 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -2.296 -2.183 -2.722 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -3.468 -0.915 -3.021 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -4.059 -3.489 -3.521 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -4.690 -2.206 -4.535 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -2.374 -4.072 -5.073 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -3.618 -3.519 -6.176 1.00 0.00 H new ATOM 252 N GLU A 16 0.143 0.048 -4.436 1.00 0.00 N ATOM 253 CA GLU A 16 1.536 0.245 -4.041 1.00 0.00 C ATOM 254 C GLU A 16 2.435 -0.818 -4.669 1.00 0.00 C ATOM 255 O GLU A 16 2.478 -1.960 -4.212 1.00 0.00 O ATOM 256 CB GLU A 16 1.673 0.214 -2.516 1.00 0.00 C ATOM 257 CG GLU A 16 3.074 0.537 -2.024 1.00 0.00 C ATOM 258 CD GLU A 16 3.510 1.942 -2.390 1.00 0.00 C ATOM 259 OE1 GLU A 16 4.054 2.125 -3.500 1.00 0.00 O ATOM 260 OE2 GLU A 16 3.308 2.860 -1.567 1.00 0.00 O ATOM 0 H GLU A 16 -0.254 0.821 -4.970 1.00 0.00 H new ATOM 0 HA GLU A 16 1.852 1.223 -4.402 1.00 0.00 H new ATOM 0 HB2 GLU A 16 0.971 0.926 -2.082 1.00 0.00 H new ATOM 0 HB3 GLU A 16 1.389 -0.774 -2.154 1.00 0.00 H new ATOM 0 HG2 GLU A 16 3.111 0.419 -0.941 1.00 0.00 H new ATOM 0 HG3 GLU A 16 3.778 -0.180 -2.447 1.00 0.00 H new ATOM 267 N ALA A 17 3.155 -0.430 -5.719 1.00 0.00 N ATOM 268 CA ALA A 17 4.049 -1.350 -6.415 1.00 0.00 C ATOM 269 C ALA A 17 5.407 -1.440 -5.722 1.00 0.00 C ATOM 270 O ALA A 17 6.373 -1.943 -6.296 1.00 0.00 O ATOM 271 CB ALA A 17 4.222 -0.919 -7.864 1.00 0.00 C ATOM 0 H ALA A 17 3.136 0.514 -6.105 1.00 0.00 H new ATOM 0 HA ALA A 17 3.596 -2.341 -6.390 1.00 0.00 H new ATOM 0 HB1 ALA A 17 4.891 -1.613 -8.373 1.00 0.00 H new ATOM 0 HB2 ALA A 17 3.252 -0.919 -8.362 1.00 0.00 H new ATOM 0 HB3 ALA A 17 4.647 0.084 -7.897 1.00 0.00 H new ATOM 277 N THR A 18 5.473 -0.950 -4.489 1.00 0.00 N ATOM 278 CA THR A 18 6.712 -0.983 -3.719 1.00 0.00 C ATOM 279 C THR A 18 6.588 -1.953 -2.546 1.00 0.00 C ATOM 280 O THR A 18 7.221 -1.776 -1.504 1.00 0.00 O ATOM 281 CB THR A 18 7.084 0.416 -3.188 1.00 0.00 C ATOM 282 OG1 THR A 18 6.797 1.407 -4.183 1.00 0.00 O ATOM 283 CG2 THR A 18 8.560 0.484 -2.820 1.00 0.00 C ATOM 0 H THR A 18 4.684 -0.526 -4.001 1.00 0.00 H new ATOM 0 HA THR A 18 7.502 -1.321 -4.390 1.00 0.00 H new ATOM 0 HB THR A 18 6.492 0.608 -2.294 1.00 0.00 H new ATOM 0 HG1 THR A 18 5.887 1.748 -4.053 1.00 0.00 H new ATOM 0 HG21 THR A 18 8.797 1.481 -2.448 1.00 0.00 H new ATOM 0 HG22 THR A 18 8.776 -0.253 -2.046 1.00 0.00 H new ATOM 0 HG23 THR A 18 9.165 0.272 -3.702 1.00 0.00 H new ATOM 291 N LYS A 19 5.765 -2.981 -2.728 1.00 0.00 N ATOM 292 CA LYS A 19 5.547 -3.983 -1.693 1.00 0.00 C ATOM 293 C LYS A 19 6.187 -5.313 -2.074 1.00 0.00 C ATOM 294 O LYS A 19 6.479 -6.133 -1.213 1.00 0.00 O ATOM 295 CB LYS A 19 4.046 -4.179 -1.454 1.00 0.00 C ATOM 296 CG LYS A 19 3.684 -5.577 -0.973 1.00 0.00 C ATOM 297 CD LYS A 19 2.229 -5.671 -0.534 1.00 0.00 C ATOM 298 CE LYS A 19 1.937 -4.773 0.659 1.00 0.00 C ATOM 299 NZ LYS A 19 2.751 -5.146 1.848 1.00 0.00 N ATOM 0 H LYS A 19 5.237 -3.141 -3.586 1.00 0.00 H new ATOM 0 HA LYS A 19 6.015 -3.626 -0.775 1.00 0.00 H new ATOM 0 HB2 LYS A 19 3.706 -3.451 -0.718 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.509 -3.972 -2.380 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.868 -6.294 -1.773 1.00 0.00 H new ATOM 0 HG3 LYS A 19 4.332 -5.853 -0.141 1.00 0.00 H new ATOM 0 HD2 LYS A 19 1.580 -5.393 -1.365 1.00 0.00 H new ATOM 0 HD3 LYS A 19 1.993 -6.704 -0.277 1.00 0.00 H new ATOM 0 HE2 LYS A 19 2.140 -3.736 0.391 1.00 0.00 H new ATOM 0 HE3 LYS A 19 0.878 -4.836 0.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 2.374 -4.667 2.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 2.710 -6.176 1.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 3.738 -4.856 1.698 1.00 0.00 H new ATOM 313 N CYS A 20 6.397 -5.510 -3.367 1.00 0.00 N ATOM 314 CA CYS A 20 6.990 -6.743 -3.885 1.00 0.00 C ATOM 315 C CYS A 20 8.195 -7.198 -3.058 1.00 0.00 C ATOM 316 O CYS A 20 9.331 -6.806 -3.329 1.00 0.00 O ATOM 317 CB CYS A 20 7.401 -6.541 -5.347 1.00 0.00 C ATOM 318 SG CYS A 20 8.455 -7.861 -6.032 1.00 0.00 S ATOM 0 H CYS A 20 6.164 -4.826 -4.087 1.00 0.00 H new ATOM 0 HA CYS A 20 6.237 -7.528 -3.816 1.00 0.00 H new ATOM 0 HB2 CYS A 20 6.500 -6.462 -5.956 1.00 0.00 H new ATOM 0 HB3 CYS A 20 7.929 -5.591 -5.434 1.00 0.00 H new ATOM 323 N PHE A 21 7.933 -8.028 -2.045 1.00 0.00 N ATOM 324 CA PHE A 21 8.991 -8.559 -1.192 1.00 0.00 C ATOM 325 C PHE A 21 8.682 -10.003 -0.778 1.00 0.00 C ATOM 326 O PHE A 21 8.565 -10.877 -1.637 1.00 0.00 O ATOM 327 CB PHE A 21 9.238 -7.656 0.030 1.00 0.00 C ATOM 328 CG PHE A 21 8.026 -7.288 0.863 1.00 0.00 C ATOM 329 CD1 PHE A 21 6.876 -8.070 0.881 1.00 0.00 C ATOM 330 CD2 PHE A 21 8.053 -6.142 1.644 1.00 0.00 C ATOM 331 CE1 PHE A 21 5.790 -7.716 1.656 1.00 0.00 C ATOM 332 CE2 PHE A 21 6.968 -5.784 2.421 1.00 0.00 C ATOM 333 CZ PHE A 21 5.836 -6.572 2.428 1.00 0.00 C ATOM 0 H PHE A 21 6.995 -8.345 -1.798 1.00 0.00 H new ATOM 0 HA PHE A 21 9.915 -8.570 -1.770 1.00 0.00 H new ATOM 0 HB2 PHE A 21 9.959 -8.153 0.680 1.00 0.00 H new ATOM 0 HB3 PHE A 21 9.704 -6.734 -0.317 1.00 0.00 H new ATOM 0 HD1 PHE A 21 6.832 -8.967 0.280 1.00 0.00 H new ATOM 0 HD2 PHE A 21 8.936 -5.520 1.645 1.00 0.00 H new ATOM 0 HE1 PHE A 21 4.904 -8.334 1.659 1.00 0.00 H new ATOM 0 HE2 PHE A 21 7.006 -4.888 3.022 1.00 0.00 H new ATOM 0 HZ PHE A 21 4.987 -6.295 3.036 1.00 0.00 H new ATOM 343 N GLN A 22 8.553 -10.267 0.525 1.00 0.00 N ATOM 344 CA GLN A 22 8.234 -11.612 0.983 1.00 0.00 C ATOM 345 C GLN A 22 7.027 -11.614 1.903 1.00 0.00 C ATOM 346 O GLN A 22 7.018 -10.992 2.966 1.00 0.00 O ATOM 347 CB GLN A 22 9.411 -12.278 1.687 1.00 0.00 C ATOM 348 CG GLN A 22 9.238 -13.788 1.838 1.00 0.00 C ATOM 349 CD GLN A 22 9.780 -14.554 0.647 1.00 0.00 C ATOM 350 OE1 GLN A 22 9.773 -14.060 -0.481 1.00 0.00 O ATOM 351 NE2 GLN A 22 10.256 -15.769 0.893 1.00 0.00 N ATOM 0 H GLN A 22 8.663 -9.576 1.267 1.00 0.00 H new ATOM 0 HA GLN A 22 8.001 -12.189 0.088 1.00 0.00 H new ATOM 0 HB2 GLN A 22 10.324 -12.077 1.127 1.00 0.00 H new ATOM 0 HB3 GLN A 22 9.537 -11.832 2.673 1.00 0.00 H new ATOM 0 HG2 GLN A 22 9.747 -14.121 2.743 1.00 0.00 H new ATOM 0 HG3 GLN A 22 8.180 -14.019 1.964 1.00 0.00 H new ATOM 0 HE21 GLN A 22 10.242 -16.139 1.843 1.00 0.00 H new ATOM 0 HE22 GLN A 22 10.635 -16.332 0.132 1.00 0.00 H new ATOM 360 N TRP A 23 6.017 -12.327 1.458 1.00 0.00 N ATOM 361 CA TRP A 23 4.770 -12.484 2.170 1.00 0.00 C ATOM 362 C TRP A 23 4.629 -13.953 2.556 1.00 0.00 C ATOM 363 O TRP A 23 5.171 -14.395 3.569 1.00 0.00 O ATOM 364 CB TRP A 23 3.618 -12.033 1.259 1.00 0.00 C ATOM 365 CG TRP A 23 4.099 -11.246 0.076 1.00 0.00 C ATOM 366 CD1 TRP A 23 3.917 -9.923 -0.163 1.00 0.00 C ATOM 367 CD2 TRP A 23 4.851 -11.745 -1.030 1.00 0.00 C ATOM 368 NE1 TRP A 23 4.538 -9.555 -1.326 1.00 0.00 N ATOM 369 CE2 TRP A 23 5.117 -10.659 -1.878 1.00 0.00 C ATOM 370 CE3 TRP A 23 5.332 -13.005 -1.376 1.00 0.00 C ATOM 371 CZ2 TRP A 23 5.847 -10.792 -3.046 1.00 0.00 C ATOM 372 CZ3 TRP A 23 6.047 -13.138 -2.539 1.00 0.00 C ATOM 373 CH2 TRP A 23 6.306 -12.038 -3.364 1.00 0.00 C ATOM 0 H TRP A 23 6.041 -12.826 0.569 1.00 0.00 H new ATOM 0 HA TRP A 23 4.747 -11.875 3.074 1.00 0.00 H new ATOM 0 HB2 TRP A 23 3.070 -12.908 0.911 1.00 0.00 H new ATOM 0 HB3 TRP A 23 2.919 -11.427 1.835 1.00 0.00 H new ATOM 0 HD1 TRP A 23 3.360 -9.253 0.475 1.00 0.00 H new ATOM 0 HE1 TRP A 23 4.563 -8.612 -1.715 1.00 0.00 H new ATOM 0 HE3 TRP A 23 5.146 -13.859 -0.742 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 6.046 -9.942 -3.682 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 6.418 -14.112 -2.824 1.00 0.00 H new ATOM 0 HH2 TRP A 23 6.879 -12.177 -4.269 1.00 0.00 H new ATOM 384 N GLN A 24 3.899 -14.702 1.741 1.00 0.00 N ATOM 385 CA GLN A 24 3.723 -16.126 1.953 1.00 0.00 C ATOM 386 C GLN A 24 3.564 -16.816 0.600 1.00 0.00 C ATOM 387 O GLN A 24 3.317 -16.156 -0.403 1.00 0.00 O ATOM 388 CB GLN A 24 2.518 -16.400 2.863 1.00 0.00 C ATOM 389 CG GLN A 24 1.332 -17.028 2.151 1.00 0.00 C ATOM 390 CD GLN A 24 0.087 -17.079 3.017 1.00 0.00 C ATOM 391 OE1 GLN A 24 -1.035 -17.009 2.515 1.00 0.00 O ATOM 392 NE2 GLN A 24 0.277 -17.206 4.326 1.00 0.00 N ATOM 0 H GLN A 24 3.416 -14.339 0.919 1.00 0.00 H new ATOM 0 HA GLN A 24 4.602 -16.528 2.456 1.00 0.00 H new ATOM 0 HB2 GLN A 24 2.831 -17.058 3.674 1.00 0.00 H new ATOM 0 HB3 GLN A 24 2.200 -15.462 3.318 1.00 0.00 H new ATOM 0 HG2 GLN A 24 1.116 -16.462 1.245 1.00 0.00 H new ATOM 0 HG3 GLN A 24 1.594 -18.039 1.840 1.00 0.00 H new ATOM 0 HE21 GLN A 24 1.224 -17.261 4.701 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -0.524 -17.249 4.956 1.00 0.00 H new ATOM 401 N ARG A 25 3.722 -18.128 0.573 1.00 0.00 N ATOM 402 CA ARG A 25 3.565 -18.894 -0.670 1.00 0.00 C ATOM 403 C ARG A 25 2.353 -18.426 -1.471 1.00 0.00 C ATOM 404 O ARG A 25 2.413 -18.311 -2.695 1.00 0.00 O ATOM 405 CB ARG A 25 3.421 -20.387 -0.368 1.00 0.00 C ATOM 406 CG ARG A 25 2.659 -20.686 0.915 1.00 0.00 C ATOM 407 CD ARG A 25 3.594 -20.818 2.105 1.00 0.00 C ATOM 408 NE ARG A 25 3.035 -20.210 3.310 1.00 0.00 N ATOM 409 CZ ARG A 25 3.456 -20.491 4.540 1.00 0.00 C ATOM 410 NH1 ARG A 25 4.425 -21.376 4.729 1.00 0.00 N ATOM 411 NH2 ARG A 25 2.905 -19.885 5.584 1.00 0.00 N ATOM 0 H ARG A 25 3.958 -18.691 1.390 1.00 0.00 H new ATOM 0 HA ARG A 25 4.462 -18.725 -1.266 1.00 0.00 H new ATOM 0 HB2 ARG A 25 2.911 -20.869 -1.202 1.00 0.00 H new ATOM 0 HB3 ARG A 25 4.414 -20.832 -0.301 1.00 0.00 H new ATOM 0 HG2 ARG A 25 1.939 -19.890 1.104 1.00 0.00 H new ATOM 0 HG3 ARG A 25 2.091 -21.608 0.794 1.00 0.00 H new ATOM 0 HD2 ARG A 25 3.797 -21.873 2.292 1.00 0.00 H new ATOM 0 HD3 ARG A 25 4.548 -20.347 1.870 1.00 0.00 H new ATOM 0 HE ARG A 25 2.280 -19.533 3.202 1.00 0.00 H new ATOM 0 HH11 ARG A 25 4.851 -21.845 3.929 1.00 0.00 H new ATOM 0 HH12 ARG A 25 4.745 -21.588 5.674 1.00 0.00 H new ATOM 0 HH21 ARG A 25 2.159 -19.204 5.443 1.00 0.00 H new ATOM 0 HH22 ARG A 25 3.228 -20.100 6.527 1.00 0.00 H new ATOM 425 N ASN A 26 1.264 -18.157 -0.774 1.00 0.00 N ATOM 426 CA ASN A 26 0.033 -17.698 -1.408 1.00 0.00 C ATOM 427 C ASN A 26 -0.623 -16.607 -0.566 1.00 0.00 C ATOM 428 O ASN A 26 -1.796 -16.705 -0.203 1.00 0.00 O ATOM 429 CB ASN A 26 -0.930 -18.870 -1.606 1.00 0.00 C ATOM 430 CG ASN A 26 -1.081 -19.711 -0.356 1.00 0.00 C ATOM 431 OD1 ASN A 26 -0.392 -20.716 -0.180 1.00 0.00 O ATOM 432 ND2 ASN A 26 -1.982 -19.299 0.525 1.00 0.00 N ATOM 0 H ASN A 26 1.203 -18.248 0.240 1.00 0.00 H new ATOM 0 HA ASN A 26 0.279 -17.281 -2.385 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -1.906 -18.488 -1.904 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -0.571 -19.498 -2.422 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -2.126 -19.821 1.389 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -2.531 -18.460 0.338 1.00 0.00 H new ATOM 439 N MET A 27 0.143 -15.561 -0.265 1.00 0.00 N ATOM 440 CA MET A 27 -0.352 -14.461 0.552 1.00 0.00 C ATOM 441 C MET A 27 -1.165 -13.470 -0.265 1.00 0.00 C ATOM 442 O MET A 27 -2.386 -13.404 -0.121 1.00 0.00 O ATOM 443 CB MET A 27 0.806 -13.734 1.231 1.00 0.00 C ATOM 444 CG MET A 27 0.357 -12.645 2.192 1.00 0.00 C ATOM 445 SD MET A 27 -0.643 -13.289 3.547 1.00 0.00 S ATOM 446 CE MET A 27 -0.975 -11.791 4.471 1.00 0.00 C ATOM 0 H MET A 27 1.109 -15.454 -0.576 1.00 0.00 H new ATOM 0 HA MET A 27 -1.005 -14.894 1.310 1.00 0.00 H new ATOM 0 HB2 MET A 27 1.412 -14.459 1.774 1.00 0.00 H new ATOM 0 HB3 MET A 27 1.446 -13.292 0.467 1.00 0.00 H new ATOM 0 HG2 MET A 27 1.233 -12.140 2.599 1.00 0.00 H new ATOM 0 HG3 MET A 27 -0.217 -11.896 1.645 1.00 0.00 H new ATOM 0 HE1 MET A 27 -1.586 -12.029 5.342 1.00 0.00 H new ATOM 0 HE2 MET A 27 -0.034 -11.349 4.798 1.00 0.00 H new ATOM 0 HE3 MET A 27 -1.508 -11.083 3.837 1.00 0.00 H new ATOM 456 N ARG A 28 -0.497 -12.695 -1.123 1.00 0.00 N ATOM 457 CA ARG A 28 -1.209 -11.715 -1.931 1.00 0.00 C ATOM 458 C ARG A 28 -2.299 -12.394 -2.738 1.00 0.00 C ATOM 459 O ARG A 28 -2.031 -13.253 -3.578 1.00 0.00 O ATOM 460 CB ARG A 28 -0.263 -10.951 -2.858 1.00 0.00 C ATOM 461 CG ARG A 28 0.715 -10.050 -2.121 1.00 0.00 C ATOM 462 CD ARG A 28 1.632 -9.314 -3.084 1.00 0.00 C ATOM 463 NE ARG A 28 0.883 -8.554 -4.081 1.00 0.00 N ATOM 464 CZ ARG A 28 1.444 -7.944 -5.121 1.00 0.00 C ATOM 465 NH1 ARG A 28 2.758 -7.997 -5.296 1.00 0.00 N ATOM 466 NH2 ARG A 28 0.691 -7.280 -5.987 1.00 0.00 N ATOM 0 H ARG A 28 0.512 -12.728 -1.271 1.00 0.00 H new ATOM 0 HA ARG A 28 -1.662 -10.992 -1.252 1.00 0.00 H new ATOM 0 HB2 ARG A 28 0.298 -11.666 -3.461 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -0.853 -10.346 -3.547 1.00 0.00 H new ATOM 0 HG2 ARG A 28 0.163 -9.328 -1.520 1.00 0.00 H new ATOM 0 HG3 ARG A 28 1.313 -10.647 -1.433 1.00 0.00 H new ATOM 0 HD2 ARG A 28 2.279 -8.638 -2.524 1.00 0.00 H new ATOM 0 HD3 ARG A 28 2.280 -10.032 -3.587 1.00 0.00 H new ATOM 0 HE ARG A 28 -0.129 -8.487 -3.973 1.00 0.00 H new ATOM 0 HH11 ARG A 28 3.341 -8.507 -4.632 1.00 0.00 H new ATOM 0 HH12 ARG A 28 3.185 -7.528 -6.095 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -0.320 -7.237 -5.856 1.00 0.00 H new ATOM 0 HH22 ARG A 28 1.122 -6.812 -6.784 1.00 0.00 H new ATOM 480 N LYS A 29 -3.535 -12.006 -2.460 1.00 0.00 N ATOM 481 CA LYS A 29 -4.695 -12.564 -3.145 1.00 0.00 C ATOM 482 C LYS A 29 -4.757 -12.108 -4.602 1.00 0.00 C ATOM 483 O LYS A 29 -5.828 -12.081 -5.210 1.00 0.00 O ATOM 484 CB LYS A 29 -5.976 -12.174 -2.409 1.00 0.00 C ATOM 485 CG LYS A 29 -6.097 -12.802 -1.029 1.00 0.00 C ATOM 486 CD LYS A 29 -7.040 -13.993 -1.040 1.00 0.00 C ATOM 487 CE LYS A 29 -7.251 -14.548 0.359 1.00 0.00 C ATOM 488 NZ LYS A 29 -8.169 -15.719 0.359 1.00 0.00 N ATOM 0 H LYS A 29 -3.763 -11.301 -1.759 1.00 0.00 H new ATOM 0 HA LYS A 29 -4.598 -13.650 -3.143 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -6.013 -11.089 -2.310 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -6.836 -12.469 -3.011 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -5.113 -13.119 -0.685 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -6.458 -12.057 -0.320 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -7.999 -13.695 -1.463 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -6.635 -14.773 -1.685 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -6.290 -14.840 0.782 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -7.658 -13.767 1.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -8.287 -16.068 1.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -9.094 -15.435 -0.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -7.768 -16.474 -0.233 1.00 0.00 H new ATOM 502 N VAL A 30 -3.601 -11.745 -5.154 1.00 0.00 N ATOM 503 CA VAL A 30 -3.503 -11.312 -6.540 1.00 0.00 C ATOM 504 C VAL A 30 -3.879 -12.453 -7.481 1.00 0.00 C ATOM 505 O VAL A 30 -4.502 -13.430 -7.063 1.00 0.00 O ATOM 506 CB VAL A 30 -2.070 -10.830 -6.861 1.00 0.00 C ATOM 507 CG1 VAL A 30 -1.664 -9.692 -5.932 1.00 0.00 C ATOM 508 CG2 VAL A 30 -1.078 -11.980 -6.757 1.00 0.00 C ATOM 0 H VAL A 30 -2.712 -11.744 -4.654 1.00 0.00 H new ATOM 0 HA VAL A 30 -4.196 -10.483 -6.685 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.059 -10.459 -7.886 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -0.652 -9.368 -6.175 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -2.353 -8.857 -6.057 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.696 -10.037 -4.899 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -0.076 -11.618 -6.987 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.094 -12.384 -5.745 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.352 -12.762 -7.465 1.00 0.00 H new ATOM 518 N ARG A 31 -3.509 -12.318 -8.749 1.00 0.00 N ATOM 519 CA ARG A 31 -3.799 -13.350 -9.746 1.00 0.00 C ATOM 520 C ARG A 31 -3.501 -14.739 -9.188 1.00 0.00 C ATOM 521 O ARG A 31 -4.350 -15.630 -9.219 1.00 0.00 O ATOM 522 CB ARG A 31 -2.970 -13.116 -11.012 1.00 0.00 C ATOM 523 CG ARG A 31 -1.577 -12.572 -10.738 1.00 0.00 C ATOM 524 CD ARG A 31 -0.738 -12.532 -12.005 1.00 0.00 C ATOM 525 NE ARG A 31 -0.537 -13.864 -12.568 1.00 0.00 N ATOM 526 CZ ARG A 31 0.168 -14.103 -13.669 1.00 0.00 C ATOM 527 NH1 ARG A 31 0.739 -13.103 -14.328 1.00 0.00 N ATOM 528 NH2 ARG A 31 0.304 -15.345 -14.115 1.00 0.00 N ATOM 0 H ARG A 31 -3.009 -11.507 -9.114 1.00 0.00 H new ATOM 0 HA ARG A 31 -4.858 -13.291 -9.995 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -2.883 -14.056 -11.557 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -3.502 -12.419 -11.660 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -1.653 -11.569 -10.318 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -1.082 -13.194 -9.992 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -1.226 -11.896 -12.743 1.00 0.00 H new ATOM 0 HD3 ARG A 31 0.230 -12.081 -11.785 1.00 0.00 H new ATOM 0 HE ARG A 31 -0.962 -14.657 -12.088 1.00 0.00 H new ATOM 0 HH11 ARG A 31 0.638 -12.146 -13.990 1.00 0.00 H new ATOM 0 HH12 ARG A 31 1.279 -13.291 -15.173 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -0.133 -16.118 -13.613 1.00 0.00 H new ATOM 0 HH22 ARG A 31 0.845 -15.527 -14.960 1.00 0.00 H new ATOM 542 N GLY A 32 -2.288 -14.907 -8.677 1.00 0.00 N ATOM 543 CA GLY A 32 -1.882 -16.176 -8.101 1.00 0.00 C ATOM 544 C GLY A 32 -0.956 -15.976 -6.918 1.00 0.00 C ATOM 545 O GLY A 32 -1.094 -14.992 -6.192 1.00 0.00 O ATOM 0 H GLY A 32 -1.572 -14.181 -8.651 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -2.764 -16.732 -7.784 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -1.381 -16.778 -8.859 1.00 0.00 H new ATOM 549 N PRO A 33 0.003 -16.892 -6.686 1.00 0.00 N ATOM 550 CA PRO A 33 0.950 -16.758 -5.577 1.00 0.00 C ATOM 551 C PRO A 33 1.660 -15.407 -5.632 1.00 0.00 C ATOM 552 O PRO A 33 2.083 -14.974 -6.704 1.00 0.00 O ATOM 553 CB PRO A 33 1.947 -17.896 -5.811 1.00 0.00 C ATOM 554 CG PRO A 33 1.200 -18.899 -6.623 1.00 0.00 C ATOM 555 CD PRO A 33 0.235 -18.117 -7.473 1.00 0.00 C ATOM 0 HA PRO A 33 0.466 -16.809 -4.602 1.00 0.00 H new ATOM 0 HB2 PRO A 33 2.834 -17.543 -6.338 1.00 0.00 H new ATOM 0 HB3 PRO A 33 2.286 -18.325 -4.868 1.00 0.00 H new ATOM 0 HG2 PRO A 33 1.881 -19.482 -7.243 1.00 0.00 H new ATOM 0 HG3 PRO A 33 0.671 -19.603 -5.981 1.00 0.00 H new ATOM 0 HD2 PRO A 33 0.654 -17.891 -8.453 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -0.690 -18.668 -7.641 1.00 0.00 H new ATOM 563 N PRO A 34 1.805 -14.717 -4.484 1.00 0.00 N ATOM 564 CA PRO A 34 2.462 -13.412 -4.445 1.00 0.00 C ATOM 565 C PRO A 34 3.885 -13.487 -4.944 1.00 0.00 C ATOM 566 O PRO A 34 4.469 -12.494 -5.375 1.00 0.00 O ATOM 567 CB PRO A 34 2.452 -13.021 -2.968 1.00 0.00 C ATOM 568 CG PRO A 34 2.178 -14.283 -2.229 1.00 0.00 C ATOM 569 CD PRO A 34 1.368 -15.149 -3.149 1.00 0.00 C ATOM 0 HA PRO A 34 1.952 -12.692 -5.084 1.00 0.00 H new ATOM 0 HB2 PRO A 34 3.407 -12.590 -2.669 1.00 0.00 H new ATOM 0 HB3 PRO A 34 1.687 -12.272 -2.765 1.00 0.00 H new ATOM 0 HG2 PRO A 34 3.108 -14.778 -1.949 1.00 0.00 H new ATOM 0 HG3 PRO A 34 1.634 -14.082 -1.306 1.00 0.00 H new ATOM 0 HD2 PRO A 34 1.565 -16.208 -2.983 1.00 0.00 H new ATOM 0 HD3 PRO A 34 0.298 -14.998 -3.007 1.00 0.00 H new ATOM 577 N VAL A 35 4.401 -14.696 -4.901 1.00 0.00 N ATOM 578 CA VAL A 35 5.771 -15.002 -5.310 1.00 0.00 C ATOM 579 C VAL A 35 6.153 -14.298 -6.606 1.00 0.00 C ATOM 580 O VAL A 35 7.332 -14.046 -6.859 1.00 0.00 O ATOM 581 CB VAL A 35 5.969 -16.521 -5.486 1.00 0.00 C ATOM 582 CG1 VAL A 35 7.420 -16.844 -5.812 1.00 0.00 C ATOM 583 CG2 VAL A 35 5.519 -17.264 -4.237 1.00 0.00 C ATOM 0 H VAL A 35 3.880 -15.511 -4.578 1.00 0.00 H new ATOM 0 HA VAL A 35 6.420 -14.637 -4.514 1.00 0.00 H new ATOM 0 HB VAL A 35 5.354 -16.851 -6.323 1.00 0.00 H new ATOM 0 HG11 VAL A 35 7.535 -17.921 -5.932 1.00 0.00 H new ATOM 0 HG12 VAL A 35 7.705 -16.344 -6.738 1.00 0.00 H new ATOM 0 HG13 VAL A 35 8.061 -16.499 -5.001 1.00 0.00 H new ATOM 0 HG21 VAL A 35 5.666 -18.335 -4.378 1.00 0.00 H new ATOM 0 HG22 VAL A 35 6.105 -16.927 -3.382 1.00 0.00 H new ATOM 0 HG23 VAL A 35 4.463 -17.063 -4.055 1.00 0.00 H new ATOM 593 N SER A 36 5.160 -13.974 -7.422 1.00 0.00 N ATOM 594 CA SER A 36 5.416 -13.295 -8.682 1.00 0.00 C ATOM 595 C SER A 36 5.012 -11.825 -8.609 1.00 0.00 C ATOM 596 O SER A 36 4.181 -11.360 -9.391 1.00 0.00 O ATOM 597 CB SER A 36 4.673 -13.992 -9.824 1.00 0.00 C ATOM 598 OG SER A 36 5.090 -15.339 -9.958 1.00 0.00 O ATOM 0 H SER A 36 4.176 -14.169 -7.235 1.00 0.00 H new ATOM 0 HA SER A 36 6.487 -13.342 -8.877 1.00 0.00 H new ATOM 0 HB2 SER A 36 3.600 -13.957 -9.638 1.00 0.00 H new ATOM 0 HB3 SER A 36 4.852 -13.458 -10.757 1.00 0.00 H new ATOM 0 HG SER A 36 4.599 -15.762 -10.693 1.00 0.00 H new ATOM 604 N CYS A 37 5.604 -11.096 -7.666 1.00 0.00 N ATOM 605 CA CYS A 37 5.305 -9.676 -7.503 1.00 0.00 C ATOM 606 C CYS A 37 6.014 -8.851 -8.571 1.00 0.00 C ATOM 607 O CYS A 37 5.692 -7.682 -8.784 1.00 0.00 O ATOM 608 CB CYS A 37 5.713 -9.191 -6.107 1.00 0.00 C ATOM 609 SG CYS A 37 7.436 -9.576 -5.654 1.00 0.00 S ATOM 0 H CYS A 37 6.290 -11.463 -7.006 1.00 0.00 H new ATOM 0 HA CYS A 37 4.229 -9.544 -7.616 1.00 0.00 H new ATOM 0 HB2 CYS A 37 5.568 -8.112 -6.053 1.00 0.00 H new ATOM 0 HB3 CYS A 37 5.047 -9.640 -5.370 1.00 0.00 H new ATOM 614 N ILE A 38 6.981 -9.469 -9.242 1.00 0.00 N ATOM 615 CA ILE A 38 7.734 -8.797 -10.293 1.00 0.00 C ATOM 616 C ILE A 38 7.114 -9.064 -11.661 1.00 0.00 C ATOM 617 O ILE A 38 7.182 -8.223 -12.558 1.00 0.00 O ATOM 618 CB ILE A 38 9.209 -9.249 -10.325 1.00 0.00 C ATOM 619 CG1 ILE A 38 9.832 -9.167 -8.930 1.00 0.00 C ATOM 620 CG2 ILE A 38 9.998 -8.398 -11.308 1.00 0.00 C ATOM 621 CD1 ILE A 38 9.604 -10.407 -8.091 1.00 0.00 C ATOM 0 H ILE A 38 7.261 -10.436 -9.076 1.00 0.00 H new ATOM 0 HA ILE A 38 7.696 -7.731 -10.068 1.00 0.00 H new ATOM 0 HB ILE A 38 9.243 -10.288 -10.653 1.00 0.00 H new ATOM 0 HG12 ILE A 38 10.904 -8.998 -9.029 1.00 0.00 H new ATOM 0 HG13 ILE A 38 9.420 -8.304 -8.407 1.00 0.00 H new ATOM 0 HG21 ILE A 38 11.037 -8.727 -11.321 1.00 0.00 H new ATOM 0 HG22 ILE A 38 9.571 -8.504 -12.305 1.00 0.00 H new ATOM 0 HG23 ILE A 38 9.952 -7.353 -11.003 1.00 0.00 H new ATOM 0 HD11 ILE A 38 10.073 -10.278 -7.116 1.00 0.00 H new ATOM 0 HD12 ILE A 38 8.534 -10.566 -7.960 1.00 0.00 H new ATOM 0 HD13 ILE A 38 10.041 -11.271 -8.592 1.00 0.00 H new ATOM 633 N LYS A 39 6.512 -10.241 -11.814 1.00 0.00 N ATOM 634 CA LYS A 39 5.882 -10.623 -13.073 1.00 0.00 C ATOM 635 C LYS A 39 4.504 -9.980 -13.217 1.00 0.00 C ATOM 636 O LYS A 39 3.481 -10.665 -13.213 1.00 0.00 O ATOM 637 CB LYS A 39 5.765 -12.148 -13.170 1.00 0.00 C ATOM 638 CG LYS A 39 7.037 -12.833 -13.653 1.00 0.00 C ATOM 639 CD LYS A 39 8.198 -12.624 -12.691 1.00 0.00 C ATOM 640 CE LYS A 39 7.981 -13.365 -11.381 1.00 0.00 C ATOM 641 NZ LYS A 39 9.095 -13.133 -10.421 1.00 0.00 N ATOM 0 H LYS A 39 6.448 -10.947 -11.080 1.00 0.00 H new ATOM 0 HA LYS A 39 6.512 -10.263 -13.886 1.00 0.00 H new ATOM 0 HB2 LYS A 39 5.499 -12.546 -12.191 1.00 0.00 H new ATOM 0 HB3 LYS A 39 4.949 -12.398 -13.848 1.00 0.00 H new ATOM 0 HG2 LYS A 39 6.851 -13.901 -13.771 1.00 0.00 H new ATOM 0 HG3 LYS A 39 7.306 -12.446 -14.636 1.00 0.00 H new ATOM 0 HD2 LYS A 39 9.122 -12.968 -13.155 1.00 0.00 H new ATOM 0 HD3 LYS A 39 8.319 -11.559 -12.492 1.00 0.00 H new ATOM 0 HE2 LYS A 39 7.042 -13.042 -10.932 1.00 0.00 H new ATOM 0 HE3 LYS A 39 7.889 -14.433 -11.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 9.542 -14.041 -10.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 9.800 -12.503 -10.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 8.722 -12.693 -9.556 1.00 0.00 H new ATOM 655 N ARG A 40 4.490 -8.656 -13.345 1.00 0.00 N ATOM 656 CA ARG A 40 3.244 -7.911 -13.498 1.00 0.00 C ATOM 657 C ARG A 40 2.867 -7.785 -14.972 1.00 0.00 C ATOM 658 O ARG A 40 1.722 -8.029 -15.355 1.00 0.00 O ATOM 659 CB ARG A 40 3.380 -6.517 -12.876 1.00 0.00 C ATOM 660 CG ARG A 40 3.830 -6.524 -11.422 1.00 0.00 C ATOM 661 CD ARG A 40 2.745 -7.048 -10.496 1.00 0.00 C ATOM 662 NE ARG A 40 2.517 -8.476 -10.680 1.00 0.00 N ATOM 663 CZ ARG A 40 1.479 -9.131 -10.166 1.00 0.00 C ATOM 664 NH1 ARG A 40 0.577 -8.484 -9.440 1.00 0.00 N ATOM 665 NH2 ARG A 40 1.345 -10.433 -10.378 1.00 0.00 N ATOM 0 H ARG A 40 5.329 -8.076 -13.346 1.00 0.00 H new ATOM 0 HA ARG A 40 2.455 -8.458 -12.982 1.00 0.00 H new ATOM 0 HB2 ARG A 40 4.093 -5.938 -13.463 1.00 0.00 H new ATOM 0 HB3 ARG A 40 2.420 -6.005 -12.945 1.00 0.00 H new ATOM 0 HG2 ARG A 40 4.723 -7.141 -11.321 1.00 0.00 H new ATOM 0 HG3 ARG A 40 4.106 -5.513 -11.122 1.00 0.00 H new ATOM 0 HD2 ARG A 40 3.027 -6.856 -9.461 1.00 0.00 H new ATOM 0 HD3 ARG A 40 1.818 -6.506 -10.680 1.00 0.00 H new ATOM 0 HE ARG A 40 3.192 -9.003 -11.234 1.00 0.00 H new ATOM 0 HH11 ARG A 40 0.678 -7.483 -9.275 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -0.218 -8.988 -9.047 1.00 0.00 H new ATOM 0 HH21 ARG A 40 2.038 -10.933 -10.935 1.00 0.00 H new ATOM 0 HH22 ARG A 40 0.549 -10.935 -9.984 1.00 0.00 H new ATOM 679 N ASP A 41 3.840 -7.402 -15.793 1.00 0.00 N ATOM 680 CA ASP A 41 3.619 -7.243 -17.227 1.00 0.00 C ATOM 681 C ASP A 41 4.777 -7.841 -18.021 1.00 0.00 C ATOM 682 O ASP A 41 5.935 -7.482 -17.815 1.00 0.00 O ATOM 683 CB ASP A 41 3.451 -5.764 -17.577 1.00 0.00 C ATOM 684 CG ASP A 41 2.255 -5.137 -16.886 1.00 0.00 C ATOM 685 OD1 ASP A 41 1.139 -5.220 -17.439 1.00 0.00 O ATOM 686 OD2 ASP A 41 2.436 -4.564 -15.790 1.00 0.00 O ATOM 0 H ASP A 41 4.792 -7.195 -15.489 1.00 0.00 H new ATOM 0 HA ASP A 41 2.706 -7.775 -17.493 1.00 0.00 H new ATOM 0 HB2 ASP A 41 4.354 -5.222 -17.296 1.00 0.00 H new ATOM 0 HB3 ASP A 41 3.339 -5.660 -18.656 1.00 0.00 H new ATOM 691 N SER A 42 4.449 -8.753 -18.929 1.00 0.00 N ATOM 692 CA SER A 42 5.453 -9.413 -19.757 1.00 0.00 C ATOM 693 C SER A 42 5.779 -8.608 -21.020 1.00 0.00 C ATOM 694 O SER A 42 6.951 -8.438 -21.358 1.00 0.00 O ATOM 695 CB SER A 42 4.983 -10.819 -20.142 1.00 0.00 C ATOM 696 OG SER A 42 4.761 -11.617 -18.993 1.00 0.00 O ATOM 0 H SER A 42 3.491 -9.054 -19.111 1.00 0.00 H new ATOM 0 HA SER A 42 6.365 -9.482 -19.165 1.00 0.00 H new ATOM 0 HB2 SER A 42 4.064 -10.751 -20.724 1.00 0.00 H new ATOM 0 HB3 SER A 42 5.730 -11.293 -20.779 1.00 0.00 H new ATOM 0 HG SER A 42 4.460 -12.509 -19.267 1.00 0.00 H new ATOM 702 N PRO A 43 4.757 -8.100 -21.742 1.00 0.00 N ATOM 703 CA PRO A 43 4.978 -7.330 -22.967 1.00 0.00 C ATOM 704 C PRO A 43 5.452 -5.905 -22.691 1.00 0.00 C ATOM 705 O PRO A 43 6.647 -5.615 -22.770 1.00 0.00 O ATOM 706 CB PRO A 43 3.603 -7.327 -23.638 1.00 0.00 C ATOM 707 CG PRO A 43 2.626 -7.464 -22.520 1.00 0.00 C ATOM 708 CD PRO A 43 3.321 -8.229 -21.423 1.00 0.00 C ATOM 0 HA PRO A 43 5.765 -7.765 -23.583 1.00 0.00 H new ATOM 0 HB2 PRO A 43 3.438 -6.405 -24.195 1.00 0.00 H new ATOM 0 HB3 PRO A 43 3.508 -8.149 -24.347 1.00 0.00 H new ATOM 0 HG2 PRO A 43 2.306 -6.485 -22.165 1.00 0.00 H new ATOM 0 HG3 PRO A 43 1.731 -7.991 -22.851 1.00 0.00 H new ATOM 0 HD2 PRO A 43 3.093 -7.813 -20.442 1.00 0.00 H new ATOM 0 HD3 PRO A 43 3.009 -9.273 -21.407 1.00 0.00 H new ATOM 716 N ILE A 44 4.516 -5.018 -22.366 1.00 0.00 N ATOM 717 CA ILE A 44 4.847 -3.628 -22.080 1.00 0.00 C ATOM 718 C ILE A 44 5.424 -3.481 -20.674 1.00 0.00 C ATOM 719 O ILE A 44 4.840 -3.956 -19.699 1.00 0.00 O ATOM 720 CB ILE A 44 3.612 -2.711 -22.228 1.00 0.00 C ATOM 721 CG1 ILE A 44 3.987 -1.258 -21.921 1.00 0.00 C ATOM 722 CG2 ILE A 44 2.483 -3.177 -21.319 1.00 0.00 C ATOM 723 CD1 ILE A 44 2.875 -0.268 -22.203 1.00 0.00 C ATOM 0 H ILE A 44 3.523 -5.238 -22.294 1.00 0.00 H new ATOM 0 HA ILE A 44 5.598 -3.322 -22.808 1.00 0.00 H new ATOM 0 HB ILE A 44 3.263 -2.768 -23.259 1.00 0.00 H new ATOM 0 HG12 ILE A 44 4.273 -1.180 -20.872 1.00 0.00 H new ATOM 0 HG13 ILE A 44 4.862 -0.986 -22.511 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.623 -2.518 -21.439 1.00 0.00 H new ATOM 0 HG22 ILE A 44 2.199 -4.195 -21.584 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.817 -3.152 -20.282 1.00 0.00 H new ATOM 0 HD11 ILE A 44 3.215 0.739 -21.962 1.00 0.00 H new ATOM 0 HD12 ILE A 44 2.604 -0.316 -23.258 1.00 0.00 H new ATOM 0 HD13 ILE A 44 2.006 -0.514 -21.593 1.00 0.00 H new ATOM 735 N GLN A 45 6.578 -2.828 -20.577 1.00 0.00 N ATOM 736 CA GLN A 45 7.229 -2.620 -19.289 1.00 0.00 C ATOM 737 C GLN A 45 6.482 -1.563 -18.483 1.00 0.00 C ATOM 738 O GLN A 45 6.473 -0.386 -18.842 1.00 0.00 O ATOM 739 CB GLN A 45 8.685 -2.192 -19.488 1.00 0.00 C ATOM 740 CG GLN A 45 9.633 -2.748 -18.435 1.00 0.00 C ATOM 741 CD GLN A 45 9.162 -2.477 -17.019 1.00 0.00 C ATOM 742 OE1 GLN A 45 9.572 -1.341 -16.466 1.00 0.00 O flip ATOM 743 NE2 GLN A 45 8.438 -3.279 -16.429 1.00 0.00 N flip ATOM 0 H GLN A 45 7.080 -2.435 -21.373 1.00 0.00 H new ATOM 0 HA GLN A 45 7.212 -3.561 -18.739 1.00 0.00 H new ATOM 0 HB2 GLN A 45 9.019 -2.517 -20.473 1.00 0.00 H new ATOM 0 HB3 GLN A 45 8.740 -1.103 -19.476 1.00 0.00 H new ATOM 0 HG2 GLN A 45 9.738 -3.823 -18.579 1.00 0.00 H new ATOM 0 HG3 GLN A 45 10.621 -2.310 -18.575 1.00 0.00 H new ATOM 0 HE21 GLN A 45 8.147 -4.140 -16.892 1.00 0.00 H new ATOM 0 HE22 GLN A 45 8.129 -3.083 -15.477 1.00 0.00 H new ATOM 752 N CYS A 46 5.852 -1.994 -17.394 1.00 0.00 N ATOM 753 CA CYS A 46 5.095 -1.095 -16.540 1.00 0.00 C ATOM 754 C CYS A 46 6.013 -0.109 -15.814 1.00 0.00 C ATOM 755 O CYS A 46 7.101 0.201 -16.299 1.00 0.00 O ATOM 756 CB CYS A 46 4.278 -1.917 -15.543 1.00 0.00 C ATOM 757 SG CYS A 46 5.182 -2.425 -14.044 1.00 0.00 S ATOM 0 H CYS A 46 5.853 -2.966 -17.084 1.00 0.00 H new ATOM 0 HA CYS A 46 4.420 -0.505 -17.160 1.00 0.00 H new ATOM 0 HB2 CYS A 46 3.406 -1.336 -15.244 1.00 0.00 H new ATOM 0 HB3 CYS A 46 3.909 -2.810 -16.047 1.00 0.00 H new ATOM 762 N ILE A 47 5.556 0.385 -14.660 1.00 0.00 N ATOM 763 CA ILE A 47 6.316 1.343 -13.852 1.00 0.00 C ATOM 764 C ILE A 47 7.824 1.143 -13.986 1.00 0.00 C ATOM 765 O ILE A 47 8.336 0.038 -13.809 1.00 0.00 O ATOM 766 CB ILE A 47 5.917 1.254 -12.359 1.00 0.00 C ATOM 767 CG1 ILE A 47 4.600 1.997 -12.113 1.00 0.00 C ATOM 768 CG2 ILE A 47 7.018 1.803 -11.459 1.00 0.00 C ATOM 769 CD1 ILE A 47 4.686 3.488 -12.366 1.00 0.00 C ATOM 0 H ILE A 47 4.652 0.133 -14.260 1.00 0.00 H new ATOM 0 HA ILE A 47 6.068 2.333 -14.235 1.00 0.00 H new ATOM 0 HB ILE A 47 5.777 0.202 -12.110 1.00 0.00 H new ATOM 0 HG12 ILE A 47 3.828 1.572 -12.755 1.00 0.00 H new ATOM 0 HG13 ILE A 47 4.286 1.830 -11.083 1.00 0.00 H new ATOM 0 HG21 ILE A 47 6.708 1.727 -10.417 1.00 0.00 H new ATOM 0 HG22 ILE A 47 7.931 1.227 -11.609 1.00 0.00 H new ATOM 0 HG23 ILE A 47 7.203 2.848 -11.707 1.00 0.00 H new ATOM 0 HD11 ILE A 47 3.717 3.947 -12.171 1.00 0.00 H new ATOM 0 HD12 ILE A 47 5.434 3.927 -11.706 1.00 0.00 H new ATOM 0 HD13 ILE A 47 4.969 3.665 -13.403 1.00 0.00 H new ATOM 781 N GLN A 48 8.524 2.229 -14.302 1.00 0.00 N ATOM 782 CA GLN A 48 9.973 2.197 -14.460 1.00 0.00 C ATOM 783 C GLN A 48 10.582 3.555 -14.126 1.00 0.00 C ATOM 784 O GLN A 48 11.733 3.643 -13.698 1.00 0.00 O ATOM 785 CB GLN A 48 10.347 1.793 -15.888 1.00 0.00 C ATOM 786 CG GLN A 48 9.739 2.689 -16.956 1.00 0.00 C ATOM 787 CD GLN A 48 10.150 2.284 -18.358 1.00 0.00 C ATOM 788 OE1 GLN A 48 9.484 1.475 -19.004 1.00 0.00 O ATOM 789 NE2 GLN A 48 11.254 2.849 -18.836 1.00 0.00 N ATOM 0 H GLN A 48 8.107 3.147 -14.454 1.00 0.00 H new ATOM 0 HA GLN A 48 10.373 1.456 -13.768 1.00 0.00 H new ATOM 0 HB2 GLN A 48 11.432 1.808 -15.988 1.00 0.00 H new ATOM 0 HB3 GLN A 48 10.025 0.766 -16.062 1.00 0.00 H new ATOM 0 HG2 GLN A 48 8.652 2.658 -16.876 1.00 0.00 H new ATOM 0 HG3 GLN A 48 10.042 3.720 -16.776 1.00 0.00 H new ATOM 0 HE21 GLN A 48 11.775 3.515 -18.265 1.00 0.00 H new ATOM 0 HE22 GLN A 48 11.581 2.617 -19.774 1.00 0.00 H new ATOM 798 N ALA A 49 9.798 4.611 -14.325 1.00 0.00 N ATOM 799 CA ALA A 49 10.255 5.967 -14.044 1.00 0.00 C ATOM 800 C ALA A 49 9.193 6.758 -13.288 1.00 0.00 C ATOM 801 O ALA A 49 8.322 7.362 -13.949 1.00 0.00 O ATOM 802 CB ALA A 49 10.628 6.679 -15.336 1.00 0.00 C ATOM 803 OXT ALA A 49 9.239 6.767 -12.039 1.00 0.00 O ATOM 0 H ALA A 49 8.843 4.553 -14.680 1.00 0.00 H new ATOM 0 HA ALA A 49 11.140 5.901 -13.412 1.00 0.00 H new ATOM 0 HB1 ALA A 49 10.967 7.690 -15.110 1.00 0.00 H new ATOM 0 HB2 ALA A 49 11.427 6.131 -15.835 1.00 0.00 H new ATOM 0 HB3 ALA A 49 9.757 6.726 -15.990 1.00 0.00 H new TER 809 ALA A 49