USER MOD reduce.3.24.130724 H: found=0, std=0, add=473, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 473 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 29 HIS :FLIP no HE2:sc= -0.961 F(o=-6.4!,f=-0.49) USER MOD Set 1.2: A 31 SER OG : rot 180:sc= 0.467 USER MOD Set 2.1: A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 64 GLN : amide:sc= 0 X(o=0,f=0.12) USER MOD Single : A 1 MET N :NH3+ -131:sc= 1.25 (180deg=0.07) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ -167:sc= 2.32 (180deg=1.81) USER MOD Single : A 10 ASN : amide:sc= -0.8 K(o=-0.8,f=-4.1!) USER MOD Single : A 13 LYS NZ :NH3+ 143:sc= 1.27 (180deg=0.994) USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=-0.0003) USER MOD Single : A 34 GLN : amide:sc= 0.802 K(o=0.8,f=-2!) USER MOD Single : A 39 LYS NZ :NH3+ 153:sc= 0.481 (180deg=0.167) USER MOD Single : A 40 SER OG : rot 180:sc= -0.0729 USER MOD Single : A 45 GLN : amide:sc= -1.89! C(o=-1.9!,f=-7.4!) USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.298 USER MOD Single : A 55 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 59 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 62 ASN : amide:sc= -0.0288 K(o=-0.029,f=-0.68) USER MOD Single : A 65 LYS NZ :NH3+ -175:sc= 1.28 (180deg=1.23) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.061 -1.436 -0.718 1.00 73.45 N ATOM 2 CA MET A 1 -1.974 -0.682 -1.990 1.00 13.44 C ATOM 3 C MET A 1 -0.577 -0.795 -2.577 1.00 25.33 C ATOM 4 O MET A 1 0.401 -0.374 -1.960 1.00 33.32 O ATOM 5 CB MET A 1 -2.299 0.796 -1.761 1.00 62.42 C ATOM 6 CG MET A 1 -3.703 1.051 -1.243 1.00 31.21 C ATOM 7 SD MET A 1 -3.984 2.790 -0.855 1.00 34.24 S ATOM 8 CE MET A 1 -5.719 2.758 -0.408 1.00 64.21 C ATOM 0 H1 MET A 1 -2.904 -2.045 -0.733 1.00 73.45 H new ATOM 0 H2 MET A 1 -1.211 -2.024 -0.604 1.00 73.45 H new ATOM 0 H3 MET A 1 -2.130 -0.769 0.077 1.00 73.45 H new ATOM 0 HA MET A 1 -2.698 -1.109 -2.684 1.00 13.44 H new ATOM 0 HB2 MET A 1 -1.582 1.209 -1.052 1.00 62.42 H new ATOM 0 HB3 MET A 1 -2.166 1.335 -2.699 1.00 62.42 H new ATOM 0 HG2 MET A 1 -4.428 0.726 -1.989 1.00 31.21 H new ATOM 0 HG3 MET A 1 -3.873 0.450 -0.350 1.00 31.21 H new ATOM 0 HE1 MET A 1 -6.045 3.763 -0.141 1.00 64.21 H new ATOM 0 HE2 MET A 1 -6.306 2.399 -1.253 1.00 64.21 H new ATOM 0 HE3 MET A 1 -5.863 2.092 0.443 1.00 64.21 H new ATOM 20 N GLU A 2 -0.489 -1.360 -3.767 1.00 4.21 N ATOM 21 CA GLU A 2 0.784 -1.545 -4.440 1.00 20.15 C ATOM 22 C GLU A 2 0.683 -1.099 -5.889 1.00 50.01 C ATOM 23 O GLU A 2 -0.391 -1.159 -6.494 1.00 74.40 O ATOM 24 CB GLU A 2 1.208 -3.013 -4.376 1.00 73.12 C ATOM 25 CG GLU A 2 1.442 -3.512 -2.962 1.00 41.24 C ATOM 26 CD GLU A 2 1.702 -5.002 -2.905 1.00 64.01 C ATOM 27 OE1 GLU A 2 2.878 -5.414 -3.007 1.00 23.02 O ATOM 28 OE2 GLU A 2 0.737 -5.766 -2.735 1.00 54.33 O ATOM 0 H GLU A 2 -1.294 -1.702 -4.292 1.00 4.21 H new ATOM 0 HA GLU A 2 1.535 -0.937 -3.935 1.00 20.15 H new ATOM 0 HB2 GLU A 2 0.440 -3.626 -4.847 1.00 73.12 H new ATOM 0 HB3 GLU A 2 2.121 -3.145 -4.956 1.00 73.12 H new ATOM 0 HG2 GLU A 2 2.291 -2.982 -2.530 1.00 41.24 H new ATOM 0 HG3 GLU A 2 0.573 -3.275 -2.349 1.00 41.24 H new ATOM 35 N GLN A 3 1.797 -0.645 -6.438 1.00 65.01 N ATOM 36 CA GLN A 3 1.847 -0.233 -7.828 1.00 12.25 C ATOM 37 C GLN A 3 2.258 -1.415 -8.693 1.00 61.13 C ATOM 38 O GLN A 3 3.304 -2.027 -8.463 1.00 51.41 O ATOM 39 CB GLN A 3 2.832 0.924 -8.014 1.00 43.11 C ATOM 40 CG GLN A 3 2.866 1.478 -9.430 1.00 72.03 C ATOM 41 CD GLN A 3 3.924 2.548 -9.615 1.00 62.53 C ATOM 42 OE1 GLN A 3 5.068 2.254 -9.965 1.00 31.25 O ATOM 43 NE2 GLN A 3 3.555 3.795 -9.379 1.00 71.52 N ATOM 0 H GLN A 3 2.682 -0.553 -5.939 1.00 65.01 H new ATOM 0 HA GLN A 3 0.858 0.111 -8.130 1.00 12.25 H new ATOM 0 HB2 GLN A 3 2.569 1.727 -7.326 1.00 43.11 H new ATOM 0 HB3 GLN A 3 3.832 0.585 -7.742 1.00 43.11 H new ATOM 0 HG2 GLN A 3 3.053 0.664 -10.130 1.00 72.03 H new ATOM 0 HG3 GLN A 3 1.889 1.893 -9.677 1.00 72.03 H new ATOM 0 HE21 GLN A 3 2.598 3.998 -9.091 1.00 71.52 H new ATOM 0 HE22 GLN A 3 4.227 4.555 -9.485 1.00 71.52 H new ATOM 52 N GLY A 4 1.430 -1.737 -9.668 1.00 70.32 N ATOM 53 CA GLY A 4 1.709 -2.857 -10.536 1.00 74.53 C ATOM 54 C GLY A 4 1.382 -2.546 -11.976 1.00 74.54 C ATOM 55 O GLY A 4 0.516 -1.715 -12.258 1.00 74.23 O ATOM 0 H GLY A 4 0.564 -1.240 -9.876 1.00 70.32 H new ATOM 0 HA2 GLY A 4 2.762 -3.128 -10.453 1.00 74.53 H new ATOM 0 HA3 GLY A 4 1.131 -3.722 -10.211 1.00 74.53 H new ATOM 59 N THR A 5 2.071 -3.206 -12.886 1.00 15.34 N ATOM 60 CA THR A 5 1.882 -2.963 -14.301 1.00 55.25 C ATOM 61 C THR A 5 0.729 -3.795 -14.846 1.00 65.41 C ATOM 62 O THR A 5 0.648 -5.001 -14.592 1.00 42.31 O ATOM 63 CB THR A 5 3.159 -3.304 -15.087 1.00 52.41 C ATOM 64 OG1 THR A 5 4.298 -2.735 -14.428 1.00 55.40 O ATOM 65 CG2 THR A 5 3.075 -2.772 -16.508 1.00 61.53 C ATOM 0 H THR A 5 2.769 -3.917 -12.669 1.00 15.34 H new ATOM 0 HA THR A 5 1.652 -1.905 -14.423 1.00 55.25 H new ATOM 0 HB THR A 5 3.261 -4.388 -15.127 1.00 52.41 H new ATOM 0 HG1 THR A 5 5.110 -2.955 -14.930 1.00 55.40 H new ATOM 0 HG21 THR A 5 3.989 -3.025 -17.046 1.00 61.53 H new ATOM 0 HG22 THR A 5 2.220 -3.220 -17.014 1.00 61.53 H new ATOM 0 HG23 THR A 5 2.955 -1.689 -16.485 1.00 61.53 H new ATOM 73 N VAL A 6 -0.170 -3.149 -15.576 1.00 43.32 N ATOM 74 CA VAL A 6 -1.250 -3.855 -16.241 1.00 12.04 C ATOM 75 C VAL A 6 -0.676 -4.763 -17.318 1.00 64.21 C ATOM 76 O VAL A 6 -0.057 -4.292 -18.275 1.00 53.13 O ATOM 77 CB VAL A 6 -2.269 -2.884 -16.877 1.00 44.33 C ATOM 78 CG1 VAL A 6 -3.405 -3.649 -17.542 1.00 34.40 C ATOM 79 CG2 VAL A 6 -2.815 -1.918 -15.836 1.00 40.23 C ATOM 0 H VAL A 6 -0.171 -2.139 -15.721 1.00 43.32 H new ATOM 0 HA VAL A 6 -1.775 -4.444 -15.489 1.00 12.04 H new ATOM 0 HB VAL A 6 -1.751 -2.307 -17.643 1.00 44.33 H new ATOM 0 HG11 VAL A 6 -4.110 -2.944 -17.983 1.00 34.40 H new ATOM 0 HG12 VAL A 6 -3.001 -4.294 -18.322 1.00 34.40 H new ATOM 0 HG13 VAL A 6 -3.918 -4.258 -16.798 1.00 34.40 H new ATOM 0 HG21 VAL A 6 -3.531 -1.243 -16.306 1.00 40.23 H new ATOM 0 HG22 VAL A 6 -3.311 -2.479 -15.044 1.00 40.23 H new ATOM 0 HG23 VAL A 6 -1.995 -1.339 -15.412 1.00 40.23 H new ATOM 89 N LYS A 7 -0.856 -6.061 -17.137 1.00 53.12 N ATOM 90 CA LYS A 7 -0.333 -7.043 -18.069 1.00 40.10 C ATOM 91 C LYS A 7 -1.319 -7.259 -19.202 1.00 52.03 C ATOM 92 O LYS A 7 -1.021 -6.977 -20.361 1.00 64.50 O ATOM 93 CB LYS A 7 -0.054 -8.361 -17.342 1.00 44.31 C ATOM 94 CG LYS A 7 0.937 -8.213 -16.202 1.00 4.34 C ATOM 95 CD LYS A 7 2.342 -7.965 -16.719 1.00 43.13 C ATOM 96 CE LYS A 7 3.049 -9.271 -17.044 1.00 10.45 C ATOM 97 NZ LYS A 7 3.333 -10.061 -15.815 1.00 34.53 N ATOM 0 H LYS A 7 -1.364 -6.460 -16.347 1.00 53.12 H new ATOM 0 HA LYS A 7 0.603 -6.674 -18.488 1.00 40.10 H new ATOM 0 HB2 LYS A 7 -0.991 -8.759 -16.952 1.00 44.31 H new ATOM 0 HB3 LYS A 7 0.329 -9.089 -18.057 1.00 44.31 H new ATOM 0 HG2 LYS A 7 0.633 -7.387 -15.559 1.00 4.34 H new ATOM 0 HG3 LYS A 7 0.927 -9.115 -15.590 1.00 4.34 H new ATOM 0 HD2 LYS A 7 2.299 -7.341 -17.611 1.00 43.13 H new ATOM 0 HD3 LYS A 7 2.915 -7.415 -15.972 1.00 43.13 H new ATOM 0 HE2 LYS A 7 2.432 -9.861 -17.722 1.00 10.45 H new ATOM 0 HE3 LYS A 7 3.983 -9.060 -17.565 1.00 10.45 H new ATOM 0 HZ1 LYS A 7 4.000 -10.826 -16.041 1.00 34.53 H new ATOM 0 HZ2 LYS A 7 3.750 -9.440 -15.092 1.00 34.53 H new ATOM 0 HZ3 LYS A 7 2.448 -10.469 -15.452 1.00 34.53 H new ATOM 111 N TRP A 8 -2.504 -7.737 -18.857 1.00 55.32 N ATOM 112 CA TRP A 8 -3.539 -7.998 -19.844 1.00 64.51 C ATOM 113 C TRP A 8 -4.900 -7.620 -19.285 1.00 70.23 C ATOM 114 O TRP A 8 -5.212 -7.932 -18.136 1.00 51.21 O ATOM 115 CB TRP A 8 -3.534 -9.474 -20.258 1.00 20.45 C ATOM 116 CG TRP A 8 -2.246 -9.903 -20.886 1.00 5.24 C ATOM 117 CD1 TRP A 8 -1.249 -10.625 -20.299 1.00 41.44 C ATOM 118 CD2 TRP A 8 -1.811 -9.623 -22.220 1.00 32.14 C ATOM 119 NE1 TRP A 8 -0.217 -10.808 -21.184 1.00 65.41 N ATOM 120 CE2 TRP A 8 -0.538 -10.203 -22.373 1.00 35.10 C ATOM 121 CE3 TRP A 8 -2.372 -8.934 -23.300 1.00 15.13 C ATOM 122 CZ2 TRP A 8 0.179 -10.120 -23.561 1.00 31.23 C ATOM 123 CZ3 TRP A 8 -1.660 -8.853 -24.480 1.00 63.11 C ATOM 124 CH2 TRP A 8 -0.395 -9.441 -24.602 1.00 73.35 C ATOM 0 H TRP A 8 -2.773 -7.953 -17.897 1.00 55.32 H new ATOM 0 HA TRP A 8 -3.334 -7.391 -20.726 1.00 64.51 H new ATOM 0 HB2 TRP A 8 -3.727 -10.092 -19.381 1.00 20.45 H new ATOM 0 HB3 TRP A 8 -4.350 -9.651 -20.959 1.00 20.45 H new ATOM 0 HD1 TRP A 8 -1.269 -10.998 -19.286 1.00 41.44 H new ATOM 0 HE1 TRP A 8 0.648 -11.312 -20.990 1.00 65.41 H new ATOM 0 HE3 TRP A 8 -3.345 -8.473 -23.212 1.00 15.13 H new ATOM 0 HZ2 TRP A 8 1.154 -10.575 -23.659 1.00 31.23 H new ATOM 0 HZ3 TRP A 8 -2.085 -8.328 -25.322 1.00 63.11 H new ATOM 0 HH2 TRP A 8 0.139 -9.357 -25.537 1.00 73.35 H new ATOM 135 N PHE A 9 -5.698 -6.934 -20.090 1.00 41.03 N ATOM 136 CA PHE A 9 -7.038 -6.551 -19.682 1.00 12.15 C ATOM 137 C PHE A 9 -8.060 -7.180 -20.620 1.00 14.23 C ATOM 138 O PHE A 9 -8.309 -6.682 -21.721 1.00 52.34 O ATOM 139 CB PHE A 9 -7.183 -5.025 -19.662 1.00 4.10 C ATOM 140 CG PHE A 9 -8.475 -4.553 -19.056 1.00 30.25 C ATOM 141 CD1 PHE A 9 -8.665 -4.598 -17.685 1.00 23.12 C ATOM 142 CD2 PHE A 9 -9.500 -4.073 -19.856 1.00 63.12 C ATOM 143 CE1 PHE A 9 -9.851 -4.172 -17.121 1.00 20.50 C ATOM 144 CE2 PHE A 9 -10.689 -3.647 -19.299 1.00 21.32 C ATOM 145 CZ PHE A 9 -10.866 -3.696 -17.930 1.00 23.21 C ATOM 0 H PHE A 9 -5.439 -6.632 -21.029 1.00 41.03 H new ATOM 0 HA PHE A 9 -7.218 -6.916 -18.671 1.00 12.15 H new ATOM 0 HB2 PHE A 9 -6.351 -4.596 -19.103 1.00 4.10 H new ATOM 0 HB3 PHE A 9 -7.110 -4.648 -20.682 1.00 4.10 H new ATOM 0 HD1 PHE A 9 -7.876 -4.971 -17.049 1.00 23.12 H new ATOM 0 HD2 PHE A 9 -9.367 -4.032 -20.927 1.00 63.12 H new ATOM 0 HE1 PHE A 9 -9.986 -4.211 -16.050 1.00 20.50 H new ATOM 0 HE2 PHE A 9 -11.480 -3.276 -19.933 1.00 21.32 H new ATOM 0 HZ PHE A 9 -11.796 -3.363 -17.492 1.00 23.21 H new ATOM 155 N ASN A 10 -8.632 -8.289 -20.186 1.00 64.14 N ATOM 156 CA ASN A 10 -9.588 -9.027 -20.993 1.00 2.14 C ATOM 157 C ASN A 10 -10.973 -8.401 -20.875 1.00 43.15 C ATOM 158 O ASN A 10 -11.817 -8.840 -20.083 1.00 10.00 O ATOM 159 CB ASN A 10 -9.610 -10.504 -20.576 1.00 54.12 C ATOM 160 CG ASN A 10 -10.578 -11.337 -21.391 1.00 2.42 C ATOM 161 OD1 ASN A 10 -10.902 -11.001 -22.529 1.00 72.41 O ATOM 162 ND2 ASN A 10 -11.042 -12.435 -20.816 1.00 30.11 N ATOM 0 H ASN A 10 -8.449 -8.701 -19.271 1.00 64.14 H new ATOM 0 HA ASN A 10 -9.282 -8.977 -22.038 1.00 2.14 H new ATOM 0 HB2 ASN A 10 -8.607 -10.919 -20.678 1.00 54.12 H new ATOM 0 HB3 ASN A 10 -9.878 -10.574 -19.522 1.00 54.12 H new ATOM 0 HD21 ASN A 10 -11.693 -13.038 -21.319 1.00 30.11 H new ATOM 0 HD22 ASN A 10 -10.748 -12.678 -19.870 1.00 30.11 H new ATOM 169 N ALA A 11 -11.183 -7.345 -21.655 1.00 53.41 N ATOM 170 CA ALA A 11 -12.454 -6.628 -21.673 1.00 40.02 C ATOM 171 C ALA A 11 -13.544 -7.459 -22.336 1.00 72.44 C ATOM 172 O ALA A 11 -14.723 -7.115 -22.273 1.00 71.14 O ATOM 173 CB ALA A 11 -12.302 -5.292 -22.386 1.00 63.13 C ATOM 0 H ALA A 11 -10.481 -6.964 -22.289 1.00 53.41 H new ATOM 0 HA ALA A 11 -12.749 -6.443 -20.640 1.00 40.02 H new ATOM 0 HB1 ALA A 11 -13.259 -4.771 -22.390 1.00 63.13 H new ATOM 0 HB2 ALA A 11 -11.560 -4.685 -21.867 1.00 63.13 H new ATOM 0 HB3 ALA A 11 -11.977 -5.462 -23.412 1.00 63.13 H new ATOM 179 N GLU A 12 -13.140 -8.559 -22.964 1.00 32.24 N ATOM 180 CA GLU A 12 -14.084 -9.474 -23.594 1.00 2.31 C ATOM 181 C GLU A 12 -14.899 -10.208 -22.531 1.00 21.51 C ATOM 182 O GLU A 12 -15.929 -10.807 -22.825 1.00 53.42 O ATOM 183 CB GLU A 12 -13.343 -10.495 -24.461 1.00 63.44 C ATOM 184 CG GLU A 12 -12.407 -9.877 -25.488 1.00 41.25 C ATOM 185 CD GLU A 12 -13.120 -8.963 -26.462 1.00 22.51 C ATOM 186 OE1 GLU A 12 -13.876 -9.473 -27.317 1.00 22.24 O ATOM 187 OE2 GLU A 12 -12.920 -7.736 -26.383 1.00 13.22 O ATOM 0 H GLU A 12 -12.163 -8.838 -23.050 1.00 32.24 H new ATOM 0 HA GLU A 12 -14.755 -8.891 -24.224 1.00 2.31 H new ATOM 0 HB2 GLU A 12 -12.768 -11.156 -23.813 1.00 63.44 H new ATOM 0 HB3 GLU A 12 -14.075 -11.114 -24.979 1.00 63.44 H new ATOM 0 HG2 GLU A 12 -11.630 -9.313 -24.971 1.00 41.25 H new ATOM 0 HG3 GLU A 12 -11.909 -10.672 -26.042 1.00 41.25 H new ATOM 194 N LYS A 13 -14.416 -10.171 -21.295 1.00 35.01 N ATOM 195 CA LYS A 13 -15.099 -10.822 -20.183 1.00 51.11 C ATOM 196 C LYS A 13 -15.261 -9.872 -19.001 1.00 32.21 C ATOM 197 O LYS A 13 -16.258 -9.934 -18.281 1.00 32.14 O ATOM 198 CB LYS A 13 -14.335 -12.069 -19.744 1.00 14.13 C ATOM 199 CG LYS A 13 -14.425 -13.235 -20.721 1.00 64.41 C ATOM 200 CD LYS A 13 -15.625 -14.136 -20.437 1.00 44.44 C ATOM 201 CE LYS A 13 -16.954 -13.457 -20.735 1.00 43.32 C ATOM 202 NZ LYS A 13 -17.116 -13.145 -22.179 1.00 3.31 N ATOM 0 H LYS A 13 -13.551 -9.696 -21.037 1.00 35.01 H new ATOM 0 HA LYS A 13 -16.091 -11.113 -20.528 1.00 51.11 H new ATOM 0 HB2 LYS A 13 -13.286 -11.808 -19.604 1.00 14.13 H new ATOM 0 HB3 LYS A 13 -14.716 -12.392 -18.775 1.00 14.13 H new ATOM 0 HG2 LYS A 13 -14.495 -12.850 -21.738 1.00 64.41 H new ATOM 0 HG3 LYS A 13 -13.510 -13.824 -20.666 1.00 64.41 H new ATOM 0 HD2 LYS A 13 -15.543 -15.043 -21.036 1.00 44.44 H new ATOM 0 HD3 LYS A 13 -15.605 -14.442 -19.391 1.00 44.44 H new ATOM 0 HE2 LYS A 13 -17.770 -14.103 -20.411 1.00 43.32 H new ATOM 0 HE3 LYS A 13 -17.027 -12.536 -20.156 1.00 43.32 H new ATOM 0 HZ1 LYS A 13 -18.108 -13.289 -22.456 1.00 3.31 H new ATOM 0 HZ2 LYS A 13 -16.849 -12.155 -22.352 1.00 3.31 H new ATOM 0 HZ3 LYS A 13 -16.505 -13.772 -22.740 1.00 3.31 H new ATOM 216 N GLY A 14 -14.273 -9.008 -18.793 1.00 75.52 N ATOM 217 CA GLY A 14 -14.353 -8.038 -17.717 1.00 5.14 C ATOM 218 C GLY A 14 -13.359 -8.309 -16.602 1.00 75.45 C ATOM 219 O GLY A 14 -13.602 -7.961 -15.449 1.00 75.12 O ATOM 0 H GLY A 14 -13.419 -8.962 -19.350 1.00 75.52 H new ATOM 0 HA2 GLY A 14 -14.176 -7.041 -18.120 1.00 5.14 H new ATOM 0 HA3 GLY A 14 -15.362 -8.042 -17.306 1.00 5.14 H new ATOM 223 N PHE A 15 -12.237 -8.925 -16.937 1.00 15.42 N ATOM 224 CA PHE A 15 -11.199 -9.184 -15.948 1.00 74.40 C ATOM 225 C PHE A 15 -9.832 -9.138 -16.607 1.00 34.25 C ATOM 226 O PHE A 15 -9.735 -8.972 -17.818 1.00 63.54 O ATOM 227 CB PHE A 15 -11.421 -10.531 -15.241 1.00 3.12 C ATOM 228 CG PHE A 15 -11.405 -11.744 -16.138 1.00 41.44 C ATOM 229 CD1 PHE A 15 -10.206 -12.290 -16.572 1.00 5.21 C ATOM 230 CD2 PHE A 15 -12.589 -12.349 -16.524 1.00 70.20 C ATOM 231 CE1 PHE A 15 -10.190 -13.413 -17.378 1.00 3.02 C ATOM 232 CE2 PHE A 15 -12.578 -13.474 -17.326 1.00 62.44 C ATOM 233 CZ PHE A 15 -11.379 -14.005 -17.755 1.00 13.10 C ATOM 0 H PHE A 15 -12.021 -9.253 -17.878 1.00 15.42 H new ATOM 0 HA PHE A 15 -11.250 -8.405 -15.187 1.00 74.40 H new ATOM 0 HB2 PHE A 15 -10.651 -10.653 -14.479 1.00 3.12 H new ATOM 0 HB3 PHE A 15 -12.379 -10.496 -14.723 1.00 3.12 H new ATOM 0 HD1 PHE A 15 -9.274 -11.832 -16.277 1.00 5.21 H new ATOM 0 HD2 PHE A 15 -13.531 -11.937 -16.195 1.00 70.20 H new ATOM 0 HE1 PHE A 15 -9.250 -13.826 -17.712 1.00 3.02 H new ATOM 0 HE2 PHE A 15 -13.509 -13.938 -17.617 1.00 62.44 H new ATOM 0 HZ PHE A 15 -11.371 -14.882 -18.385 1.00 13.10 H new ATOM 243 N GLY A 16 -8.783 -9.279 -15.820 1.00 63.34 N ATOM 244 CA GLY A 16 -7.448 -9.246 -16.372 1.00 51.42 C ATOM 245 C GLY A 16 -6.394 -9.549 -15.337 1.00 73.22 C ATOM 246 O GLY A 16 -6.709 -9.979 -14.225 1.00 54.44 O ATOM 0 H GLY A 16 -8.830 -9.416 -14.810 1.00 63.34 H new ATOM 0 HA2 GLY A 16 -7.375 -9.969 -17.184 1.00 51.42 H new ATOM 0 HA3 GLY A 16 -7.259 -8.263 -16.803 1.00 51.42 H new ATOM 250 N PHE A 17 -5.145 -9.309 -15.695 1.00 33.35 N ATOM 251 CA PHE A 17 -4.028 -9.592 -14.811 1.00 20.43 C ATOM 252 C PHE A 17 -3.144 -8.363 -14.659 1.00 54.44 C ATOM 253 O PHE A 17 -2.678 -7.790 -15.648 1.00 12.24 O ATOM 254 CB PHE A 17 -3.197 -10.766 -15.340 1.00 41.24 C ATOM 255 CG PHE A 17 -3.985 -12.034 -15.522 1.00 15.12 C ATOM 256 CD1 PHE A 17 -4.285 -12.843 -14.437 1.00 50.31 C ATOM 257 CD2 PHE A 17 -4.425 -12.416 -16.780 1.00 44.33 C ATOM 258 CE1 PHE A 17 -5.011 -14.009 -14.605 1.00 64.42 C ATOM 259 CE2 PHE A 17 -5.150 -13.580 -16.953 1.00 11.03 C ATOM 260 CZ PHE A 17 -5.443 -14.377 -15.865 1.00 2.21 C ATOM 0 H PHE A 17 -4.878 -8.916 -16.598 1.00 33.35 H new ATOM 0 HA PHE A 17 -4.432 -9.862 -13.836 1.00 20.43 H new ATOM 0 HB2 PHE A 17 -2.754 -10.484 -16.295 1.00 41.24 H new ATOM 0 HB3 PHE A 17 -2.374 -10.956 -14.651 1.00 41.24 H new ATOM 0 HD1 PHE A 17 -3.949 -12.560 -13.450 1.00 50.31 H new ATOM 0 HD2 PHE A 17 -4.199 -11.797 -17.635 1.00 44.33 H new ATOM 0 HE1 PHE A 17 -5.240 -14.631 -13.752 1.00 64.42 H new ATOM 0 HE2 PHE A 17 -5.487 -13.866 -17.939 1.00 11.03 H new ATOM 0 HZ PHE A 17 -6.009 -15.287 -15.998 1.00 2.21 H new ATOM 270 N ILE A 18 -2.939 -7.951 -13.421 1.00 34.41 N ATOM 271 CA ILE A 18 -2.033 -6.856 -13.114 1.00 52.25 C ATOM 272 C ILE A 18 -0.963 -7.371 -12.161 1.00 43.33 C ATOM 273 O ILE A 18 -1.275 -7.807 -11.053 1.00 73.45 O ATOM 274 CB ILE A 18 -2.771 -5.659 -12.474 1.00 42.31 C ATOM 275 CG1 ILE A 18 -3.993 -5.270 -13.315 1.00 53.43 C ATOM 276 CG2 ILE A 18 -1.827 -4.474 -12.336 1.00 73.12 C ATOM 277 CD1 ILE A 18 -4.805 -4.136 -12.724 1.00 2.23 C ATOM 0 H ILE A 18 -3.392 -8.362 -12.604 1.00 34.41 H new ATOM 0 HA ILE A 18 -1.587 -6.501 -14.043 1.00 52.25 H new ATOM 0 HB ILE A 18 -3.114 -5.952 -11.482 1.00 42.31 H new ATOM 0 HG12 ILE A 18 -3.660 -4.985 -14.313 1.00 53.43 H new ATOM 0 HG13 ILE A 18 -4.636 -6.143 -13.431 1.00 53.43 H new ATOM 0 HG21 ILE A 18 -2.358 -3.636 -11.884 1.00 73.12 H new ATOM 0 HG22 ILE A 18 -0.984 -4.752 -11.704 1.00 73.12 H new ATOM 0 HG23 ILE A 18 -1.462 -4.183 -13.321 1.00 73.12 H new ATOM 0 HD11 ILE A 18 -5.652 -3.918 -13.374 1.00 2.23 H new ATOM 0 HD12 ILE A 18 -5.169 -4.425 -11.738 1.00 2.23 H new ATOM 0 HD13 ILE A 18 -4.179 -3.249 -12.634 1.00 2.23 H new ATOM 289 N GLU A 19 0.289 -7.342 -12.589 1.00 11.21 N ATOM 290 CA GLU A 19 1.338 -8.035 -11.856 1.00 54.11 C ATOM 291 C GLU A 19 1.790 -7.267 -10.624 1.00 2.32 C ATOM 292 O GLU A 19 1.945 -6.044 -10.645 1.00 14.15 O ATOM 293 CB GLU A 19 2.550 -8.319 -12.746 1.00 42.41 C ATOM 294 CG GLU A 19 3.275 -7.072 -13.225 1.00 2.52 C ATOM 295 CD GLU A 19 4.682 -7.371 -13.698 1.00 33.13 C ATOM 296 OE1 GLU A 19 4.840 -8.183 -14.633 1.00 45.33 O ATOM 297 OE2 GLU A 19 5.637 -6.795 -13.141 1.00 60.21 O ATOM 0 H GLU A 19 0.602 -6.854 -13.428 1.00 11.21 H new ATOM 0 HA GLU A 19 0.901 -8.979 -11.530 1.00 54.11 H new ATOM 0 HB2 GLU A 19 3.252 -8.946 -12.196 1.00 42.41 H new ATOM 0 HB3 GLU A 19 2.224 -8.892 -13.614 1.00 42.41 H new ATOM 0 HG2 GLU A 19 2.710 -6.616 -14.038 1.00 2.52 H new ATOM 0 HG3 GLU A 19 3.313 -6.343 -12.415 1.00 2.52 H new ATOM 304 N ARG A 20 1.978 -8.007 -9.547 1.00 50.14 N ATOM 305 CA ARG A 20 2.641 -7.501 -8.365 1.00 54.45 C ATOM 306 C ARG A 20 4.149 -7.559 -8.617 1.00 43.02 C ATOM 307 O ARG A 20 4.590 -8.256 -9.533 1.00 41.30 O ATOM 308 CB ARG A 20 2.238 -8.360 -7.163 1.00 51.14 C ATOM 309 CG ARG A 20 2.588 -7.772 -5.808 1.00 42.21 C ATOM 310 CD ARG A 20 2.098 -8.677 -4.692 1.00 34.22 C ATOM 311 NE ARG A 20 2.409 -8.149 -3.367 1.00 73.11 N ATOM 312 CZ ARG A 20 2.467 -8.897 -2.269 1.00 23.01 C ATOM 313 NH1 ARG A 20 2.197 -10.199 -2.330 1.00 14.03 N ATOM 314 NH2 ARG A 20 2.773 -8.340 -1.104 1.00 2.31 N ATOM 0 H ARG A 20 1.674 -8.977 -9.470 1.00 50.14 H new ATOM 0 HA ARG A 20 2.354 -6.471 -8.151 1.00 54.45 H new ATOM 0 HB2 ARG A 20 1.162 -8.530 -7.201 1.00 51.14 H new ATOM 0 HB3 ARG A 20 2.718 -9.334 -7.254 1.00 51.14 H new ATOM 0 HG2 ARG A 20 3.667 -7.641 -5.730 1.00 42.21 H new ATOM 0 HG3 ARG A 20 2.138 -6.784 -5.707 1.00 42.21 H new ATOM 0 HD2 ARG A 20 1.020 -8.810 -4.783 1.00 34.22 H new ATOM 0 HD3 ARG A 20 2.551 -9.662 -4.802 1.00 34.22 H new ATOM 0 HE ARG A 20 2.592 -7.150 -3.278 1.00 73.11 H new ATOM 0 HH11 ARG A 20 1.945 -10.626 -3.221 1.00 14.03 H new ATOM 0 HH12 ARG A 20 2.243 -10.769 -1.486 1.00 14.03 H new ATOM 0 HH21 ARG A 20 2.963 -7.339 -1.052 1.00 2.31 H new ATOM 0 HH22 ARG A 20 2.818 -8.913 -0.261 1.00 2.31 H new ATOM 328 N GLU A 21 4.940 -6.855 -7.814 1.00 53.12 N ATOM 329 CA GLU A 21 6.383 -6.740 -8.060 1.00 22.23 C ATOM 330 C GLU A 21 7.103 -8.087 -7.966 1.00 71.13 C ATOM 331 O GLU A 21 8.261 -8.206 -8.364 1.00 71.35 O ATOM 332 CB GLU A 21 7.005 -5.752 -7.078 1.00 13.02 C ATOM 333 CG GLU A 21 6.486 -4.337 -7.238 1.00 45.34 C ATOM 334 CD GLU A 21 7.050 -3.399 -6.200 1.00 70.11 C ATOM 335 OE1 GLU A 21 8.120 -2.805 -6.447 1.00 3.15 O ATOM 336 OE2 GLU A 21 6.424 -3.249 -5.130 1.00 72.23 O ATOM 0 H GLU A 21 4.612 -6.355 -6.988 1.00 53.12 H new ATOM 0 HA GLU A 21 6.505 -6.376 -9.080 1.00 22.23 H new ATOM 0 HB2 GLU A 21 6.809 -6.090 -6.061 1.00 13.02 H new ATOM 0 HB3 GLU A 21 8.087 -5.751 -7.211 1.00 13.02 H new ATOM 0 HG2 GLU A 21 6.740 -3.970 -8.232 1.00 45.34 H new ATOM 0 HG3 GLU A 21 5.398 -4.341 -7.168 1.00 45.34 H new ATOM 343 N ASN A 22 6.420 -9.094 -7.440 1.00 72.04 N ATOM 344 CA ASN A 22 6.994 -10.434 -7.326 1.00 23.33 C ATOM 345 C ASN A 22 6.754 -11.236 -8.602 1.00 3.11 C ATOM 346 O ASN A 22 7.104 -12.412 -8.684 1.00 24.20 O ATOM 347 CB ASN A 22 6.381 -11.181 -6.136 1.00 12.12 C ATOM 348 CG ASN A 22 6.425 -10.377 -4.853 1.00 52.00 C ATOM 349 OD1 ASN A 22 5.492 -9.637 -4.543 1.00 11.50 O ATOM 350 ND2 ASN A 22 7.503 -10.514 -4.097 1.00 34.31 N ATOM 0 H ASN A 22 5.467 -9.012 -7.084 1.00 72.04 H new ATOM 0 HA ASN A 22 8.067 -10.325 -7.170 1.00 23.33 H new ATOM 0 HB2 ASN A 22 5.346 -11.434 -6.366 1.00 12.12 H new ATOM 0 HB3 ASN A 22 6.914 -12.121 -5.989 1.00 12.12 H new ATOM 0 HD21 ASN A 22 7.582 -9.996 -3.222 1.00 34.31 H new ATOM 0 HD22 ASN A 22 8.255 -11.138 -4.389 1.00 34.31 H new ATOM 357 N GLY A 23 6.156 -10.590 -9.599 1.00 43.35 N ATOM 358 CA GLY A 23 5.746 -11.292 -10.802 1.00 54.25 C ATOM 359 C GLY A 23 4.376 -11.912 -10.621 1.00 42.21 C ATOM 360 O GLY A 23 3.844 -12.583 -11.511 1.00 72.32 O ATOM 0 H GLY A 23 5.948 -9.591 -9.595 1.00 43.35 H new ATOM 0 HA2 GLY A 23 5.729 -10.600 -11.644 1.00 54.25 H new ATOM 0 HA3 GLY A 23 6.473 -12.068 -11.041 1.00 54.25 H new ATOM 364 N ASP A 24 3.809 -11.660 -9.454 1.00 41.32 N ATOM 365 CA ASP A 24 2.526 -12.220 -9.068 1.00 35.23 C ATOM 366 C ASP A 24 1.396 -11.506 -9.790 1.00 42.02 C ATOM 367 O ASP A 24 0.921 -10.468 -9.337 1.00 52.02 O ATOM 368 CB ASP A 24 2.358 -12.098 -7.549 1.00 74.32 C ATOM 369 CG ASP A 24 1.078 -12.721 -7.026 1.00 70.32 C ATOM 370 OD1 ASP A 24 0.932 -13.957 -7.126 1.00 52.03 O ATOM 371 OD2 ASP A 24 0.235 -11.982 -6.474 1.00 30.41 O ATOM 0 H ASP A 24 4.228 -11.058 -8.745 1.00 41.32 H new ATOM 0 HA ASP A 24 2.492 -13.273 -9.349 1.00 35.23 H new ATOM 0 HB2 ASP A 24 3.209 -12.571 -7.059 1.00 74.32 H new ATOM 0 HB3 ASP A 24 2.378 -11.044 -7.274 1.00 74.32 H new ATOM 376 N ASP A 25 1.029 -12.023 -10.955 1.00 0.43 N ATOM 377 CA ASP A 25 -0.098 -11.479 -11.711 1.00 75.35 C ATOM 378 C ASP A 25 -1.381 -11.587 -10.896 1.00 44.42 C ATOM 379 O ASP A 25 -1.953 -12.669 -10.758 1.00 25.51 O ATOM 380 CB ASP A 25 -0.287 -12.205 -13.049 1.00 2.12 C ATOM 381 CG ASP A 25 0.907 -12.089 -13.976 1.00 20.20 C ATOM 382 OD1 ASP A 25 1.193 -10.977 -14.465 1.00 72.14 O ATOM 383 OD2 ASP A 25 1.550 -13.127 -14.247 1.00 2.41 O ATOM 0 H ASP A 25 1.492 -12.816 -11.399 1.00 0.43 H new ATOM 0 HA ASP A 25 0.124 -10.432 -11.916 1.00 75.35 H new ATOM 0 HB2 ASP A 25 -0.486 -13.259 -12.856 1.00 2.12 H new ATOM 0 HB3 ASP A 25 -1.167 -11.802 -13.551 1.00 2.12 H new ATOM 388 N VAL A 26 -1.819 -10.463 -10.351 1.00 62.25 N ATOM 389 CA VAL A 26 -3.004 -10.428 -9.511 1.00 63.35 C ATOM 390 C VAL A 26 -4.263 -10.395 -10.375 1.00 54.41 C ATOM 391 O VAL A 26 -4.353 -9.615 -11.329 1.00 24.50 O ATOM 392 CB VAL A 26 -2.981 -9.202 -8.570 1.00 44.24 C ATOM 393 CG1 VAL A 26 -4.120 -9.267 -7.573 1.00 34.03 C ATOM 394 CG2 VAL A 26 -1.646 -9.101 -7.846 1.00 63.33 C ATOM 0 H VAL A 26 -1.367 -9.557 -10.477 1.00 62.25 H new ATOM 0 HA VAL A 26 -3.011 -11.331 -8.900 1.00 63.35 H new ATOM 0 HB VAL A 26 -3.109 -8.308 -9.180 1.00 44.24 H new ATOM 0 HG11 VAL A 26 -4.083 -8.394 -6.921 1.00 34.03 H new ATOM 0 HG12 VAL A 26 -5.070 -9.282 -8.107 1.00 34.03 H new ATOM 0 HG13 VAL A 26 -4.027 -10.172 -6.973 1.00 34.03 H new ATOM 0 HG21 VAL A 26 -1.653 -8.231 -7.190 1.00 63.33 H new ATOM 0 HG22 VAL A 26 -1.484 -10.001 -7.253 1.00 63.33 H new ATOM 0 HG23 VAL A 26 -0.843 -8.998 -8.576 1.00 63.33 H new ATOM 404 N PHE A 27 -5.228 -11.245 -10.043 1.00 55.34 N ATOM 405 CA PHE A 27 -6.455 -11.359 -10.819 1.00 13.31 C ATOM 406 C PHE A 27 -7.393 -10.193 -10.527 1.00 54.31 C ATOM 407 O PHE A 27 -8.036 -10.138 -9.471 1.00 22.43 O ATOM 408 CB PHE A 27 -7.152 -12.689 -10.512 1.00 21.21 C ATOM 409 CG PHE A 27 -8.409 -12.920 -11.304 1.00 22.12 C ATOM 410 CD1 PHE A 27 -8.346 -13.364 -12.613 1.00 13.21 C ATOM 411 CD2 PHE A 27 -9.654 -12.692 -10.737 1.00 32.15 C ATOM 412 CE1 PHE A 27 -9.498 -13.575 -13.343 1.00 72.05 C ATOM 413 CE2 PHE A 27 -10.808 -12.901 -11.463 1.00 41.44 C ATOM 414 CZ PHE A 27 -10.730 -13.344 -12.768 1.00 43.20 C ATOM 0 H PHE A 27 -5.183 -11.868 -9.237 1.00 55.34 H new ATOM 0 HA PHE A 27 -6.195 -11.331 -11.877 1.00 13.31 H new ATOM 0 HB2 PHE A 27 -6.457 -13.505 -10.708 1.00 21.21 H new ATOM 0 HB3 PHE A 27 -7.393 -12.724 -9.450 1.00 21.21 H new ATOM 0 HD1 PHE A 27 -7.384 -13.548 -13.069 1.00 13.21 H new ATOM 0 HD2 PHE A 27 -9.721 -12.347 -9.716 1.00 32.15 H new ATOM 0 HE1 PHE A 27 -9.435 -13.921 -14.364 1.00 72.05 H new ATOM 0 HE2 PHE A 27 -11.772 -12.718 -11.011 1.00 41.44 H new ATOM 0 HZ PHE A 27 -11.632 -13.509 -13.338 1.00 43.20 H new ATOM 424 N VAL A 28 -7.463 -9.256 -11.456 1.00 15.33 N ATOM 425 CA VAL A 28 -8.360 -8.125 -11.319 1.00 53.30 C ATOM 426 C VAL A 28 -9.724 -8.486 -11.903 1.00 43.45 C ATOM 427 O VAL A 28 -9.812 -9.246 -12.866 1.00 22.21 O ATOM 428 CB VAL A 28 -7.792 -6.849 -11.992 1.00 13.22 C ATOM 429 CG1 VAL A 28 -7.846 -6.938 -13.510 1.00 5.14 C ATOM 430 CG2 VAL A 28 -8.517 -5.608 -11.493 1.00 3.13 C ATOM 0 H VAL A 28 -6.909 -9.257 -12.313 1.00 15.33 H new ATOM 0 HA VAL A 28 -8.467 -7.900 -10.258 1.00 53.30 H new ATOM 0 HB VAL A 28 -6.742 -6.770 -11.710 1.00 13.22 H new ATOM 0 HG11 VAL A 28 -7.439 -6.024 -13.943 1.00 5.14 H new ATOM 0 HG12 VAL A 28 -7.258 -7.792 -13.846 1.00 5.14 H new ATOM 0 HG13 VAL A 28 -8.880 -7.062 -13.831 1.00 5.14 H new ATOM 0 HG21 VAL A 28 -8.102 -4.725 -11.978 1.00 3.13 H new ATOM 0 HG22 VAL A 28 -9.578 -5.687 -11.729 1.00 3.13 H new ATOM 0 HG23 VAL A 28 -8.391 -5.522 -10.414 1.00 3.13 H new ATOM 440 N HIS A 29 -10.783 -7.962 -11.303 1.00 65.52 N ATOM 441 CA HIS A 29 -12.137 -8.344 -11.686 1.00 3.03 C ATOM 442 C HIS A 29 -13.077 -7.141 -11.646 1.00 30.13 C ATOM 443 O HIS A 29 -12.952 -6.280 -10.773 1.00 71.40 O ATOM 444 CB HIS A 29 -12.646 -9.477 -10.779 1.00 73.42 C ATOM 445 CG HIS A 29 -12.479 -9.221 -9.307 1.00 2.55 C ATOM 446 ND1 HIS A 29 -13.323 -8.677 -8.401 1.00 50.11 N flip ATOM 447 CD2 HIS A 29 -11.332 -9.544 -8.607 1.00 42.50 C flip ATOM 448 CE1 HIS A 29 -12.679 -8.680 -7.192 1.00 23.34 C flip ATOM 449 NE2 HIS A 29 -11.484 -9.207 -7.340 1.00 30.22 N flip ATOM 0 H HIS A 29 -10.733 -7.274 -10.552 1.00 65.52 H new ATOM 0 HA HIS A 29 -12.116 -8.710 -12.713 1.00 3.03 H new ATOM 0 HB2 HIS A 29 -13.702 -9.645 -10.988 1.00 73.42 H new ATOM 0 HB3 HIS A 29 -12.120 -10.396 -11.037 1.00 73.42 H new ATOM 0 HD1 HIS A 29 -14.264 -8.329 -8.584 1.00 50.11 H new ATOM 0 HD2 HIS A 29 -10.450 -10.001 -9.030 1.00 42.50 H new ATOM 0 HE1 HIS A 29 -13.088 -8.308 -6.264 1.00 23.34 H new ATOM 458 N PHE A 30 -14.017 -7.102 -12.589 1.00 74.10 N ATOM 459 CA PHE A 30 -14.902 -5.947 -12.789 1.00 12.22 C ATOM 460 C PHE A 30 -15.716 -5.594 -11.543 1.00 71.53 C ATOM 461 O PHE A 30 -16.149 -4.455 -11.388 1.00 25.32 O ATOM 462 CB PHE A 30 -15.845 -6.198 -13.975 1.00 11.13 C ATOM 463 CG PHE A 30 -16.725 -7.412 -13.824 1.00 13.32 C ATOM 464 CD1 PHE A 30 -16.287 -8.661 -14.236 1.00 21.31 C ATOM 465 CD2 PHE A 30 -17.993 -7.302 -13.275 1.00 53.44 C ATOM 466 CE1 PHE A 30 -17.093 -9.775 -14.102 1.00 40.14 C ATOM 467 CE2 PHE A 30 -18.802 -8.412 -13.139 1.00 44.41 C ATOM 468 CZ PHE A 30 -18.352 -9.649 -13.552 1.00 60.31 C ATOM 0 H PHE A 30 -14.190 -7.869 -13.239 1.00 74.10 H new ATOM 0 HA PHE A 30 -14.257 -5.094 -13.001 1.00 12.22 H new ATOM 0 HB2 PHE A 30 -16.477 -5.321 -14.113 1.00 11.13 H new ATOM 0 HB3 PHE A 30 -15.249 -6.307 -14.881 1.00 11.13 H new ATOM 0 HD1 PHE A 30 -15.302 -8.765 -14.668 1.00 21.31 H new ATOM 0 HD2 PHE A 30 -18.352 -6.337 -12.950 1.00 53.44 H new ATOM 0 HE1 PHE A 30 -16.738 -10.742 -14.427 1.00 40.14 H new ATOM 0 HE2 PHE A 30 -19.788 -8.312 -12.709 1.00 44.41 H new ATOM 0 HZ PHE A 30 -18.985 -10.518 -13.445 1.00 60.31 H new ATOM 478 N SER A 31 -15.918 -6.556 -10.655 1.00 41.44 N ATOM 479 CA SER A 31 -16.693 -6.320 -9.443 1.00 55.03 C ATOM 480 C SER A 31 -15.876 -5.563 -8.390 1.00 10.22 C ATOM 481 O SER A 31 -16.361 -5.278 -7.297 1.00 21.41 O ATOM 482 CB SER A 31 -17.198 -7.654 -8.895 1.00 21.40 C ATOM 483 OG SER A 31 -16.216 -8.663 -9.051 1.00 20.11 O ATOM 0 H SER A 31 -15.558 -7.506 -10.749 1.00 41.44 H new ATOM 0 HA SER A 31 -17.547 -5.690 -9.692 1.00 55.03 H new ATOM 0 HB2 SER A 31 -17.452 -7.547 -7.840 1.00 21.40 H new ATOM 0 HB3 SER A 31 -18.111 -7.944 -9.415 1.00 21.40 H new ATOM 0 HG SER A 31 -16.557 -9.509 -8.693 1.00 20.11 H new ATOM 489 N ALA A 32 -14.629 -5.249 -8.730 1.00 3.41 N ATOM 490 CA ALA A 32 -13.777 -4.444 -7.864 1.00 75.34 C ATOM 491 C ALA A 32 -13.218 -3.245 -8.622 1.00 21.43 C ATOM 492 O ALA A 32 -12.871 -2.230 -8.022 1.00 64.04 O ATOM 493 CB ALA A 32 -12.644 -5.283 -7.295 1.00 64.40 C ATOM 0 H ALA A 32 -14.187 -5.541 -9.601 1.00 3.41 H new ATOM 0 HA ALA A 32 -14.385 -4.077 -7.037 1.00 75.34 H new ATOM 0 HB1 ALA A 32 -12.020 -4.663 -6.651 1.00 64.40 H new ATOM 0 HB2 ALA A 32 -13.058 -6.107 -6.714 1.00 64.40 H new ATOM 0 HB3 ALA A 32 -12.041 -5.681 -8.111 1.00 64.40 H new ATOM 499 N ILE A 33 -13.130 -3.372 -9.943 1.00 12.32 N ATOM 500 CA ILE A 33 -12.619 -2.297 -10.786 1.00 72.32 C ATOM 501 C ILE A 33 -13.588 -1.122 -10.814 1.00 64.23 C ATOM 502 O ILE A 33 -14.734 -1.266 -11.241 1.00 72.31 O ATOM 503 CB ILE A 33 -12.392 -2.769 -12.242 1.00 63.55 C ATOM 504 CG1 ILE A 33 -11.453 -3.974 -12.284 1.00 3.32 C ATOM 505 CG2 ILE A 33 -11.833 -1.635 -13.093 1.00 53.04 C ATOM 506 CD1 ILE A 33 -11.250 -4.540 -13.674 1.00 40.22 C ATOM 0 H ILE A 33 -13.407 -4.211 -10.453 1.00 12.32 H new ATOM 0 HA ILE A 33 -11.667 -1.990 -10.354 1.00 72.32 H new ATOM 0 HB ILE A 33 -13.356 -3.070 -12.652 1.00 63.55 H new ATOM 0 HG12 ILE A 33 -10.485 -3.684 -11.875 1.00 3.32 H new ATOM 0 HG13 ILE A 33 -11.851 -4.756 -11.637 1.00 3.32 H new ATOM 0 HG21 ILE A 33 -11.680 -1.987 -14.113 1.00 53.04 H new ATOM 0 HG22 ILE A 33 -12.537 -0.803 -13.098 1.00 53.04 H new ATOM 0 HG23 ILE A 33 -10.882 -1.303 -12.677 1.00 53.04 H new ATOM 0 HD11 ILE A 33 -10.572 -5.392 -13.624 1.00 40.22 H new ATOM 0 HD12 ILE A 33 -12.209 -4.862 -14.079 1.00 40.22 H new ATOM 0 HD13 ILE A 33 -10.822 -3.773 -14.320 1.00 40.22 H new ATOM 518 N GLN A 34 -13.136 0.032 -10.347 1.00 63.55 N ATOM 519 CA GLN A 34 -13.924 1.245 -10.472 1.00 61.53 C ATOM 520 C GLN A 34 -13.712 1.850 -11.857 1.00 33.43 C ATOM 521 O GLN A 34 -12.673 2.441 -12.150 1.00 11.32 O ATOM 522 CB GLN A 34 -13.604 2.237 -9.337 1.00 11.41 C ATOM 523 CG GLN A 34 -12.123 2.519 -9.115 1.00 41.13 C ATOM 524 CD GLN A 34 -11.661 3.813 -9.757 1.00 75.44 C ATOM 525 OE1 GLN A 34 -12.431 4.760 -9.908 1.00 21.20 O ATOM 526 NE2 GLN A 34 -10.391 3.867 -10.121 1.00 74.20 N ATOM 0 H GLN A 34 -12.236 0.152 -9.882 1.00 63.55 H new ATOM 0 HA GLN A 34 -14.982 1.002 -10.371 1.00 61.53 H new ATOM 0 HB2 GLN A 34 -14.109 3.180 -9.548 1.00 11.41 H new ATOM 0 HB3 GLN A 34 -14.026 1.850 -8.409 1.00 11.41 H new ATOM 0 HG2 GLN A 34 -11.924 2.560 -8.044 1.00 41.13 H new ATOM 0 HG3 GLN A 34 -11.538 1.692 -9.517 1.00 41.13 H new ATOM 0 HE21 GLN A 34 -9.785 3.059 -9.978 1.00 74.20 H new ATOM 0 HE22 GLN A 34 -10.017 4.717 -10.544 1.00 74.20 H new ATOM 535 N GLY A 35 -14.693 1.650 -12.726 1.00 72.13 N ATOM 536 CA GLY A 35 -14.577 2.093 -14.101 1.00 33.11 C ATOM 537 C GLY A 35 -14.928 3.552 -14.262 1.00 40.33 C ATOM 538 O GLY A 35 -15.811 3.907 -15.043 1.00 11.01 O ATOM 0 H GLY A 35 -15.573 1.186 -12.501 1.00 72.13 H new ATOM 0 HA2 GLY A 35 -13.558 1.926 -14.450 1.00 33.11 H new ATOM 0 HA3 GLY A 35 -15.232 1.492 -14.731 1.00 33.11 H new ATOM 542 N ASP A 36 -14.234 4.395 -13.522 1.00 24.33 N ATOM 543 CA ASP A 36 -14.470 5.826 -13.561 1.00 13.22 C ATOM 544 C ASP A 36 -13.816 6.441 -14.793 1.00 43.02 C ATOM 545 O ASP A 36 -12.597 6.614 -14.841 1.00 63.33 O ATOM 546 CB ASP A 36 -13.929 6.474 -12.287 1.00 0.12 C ATOM 547 CG ASP A 36 -14.198 7.959 -12.228 1.00 33.21 C ATOM 548 OD1 ASP A 36 -15.327 8.352 -11.864 1.00 3.01 O ATOM 549 OD2 ASP A 36 -13.283 8.745 -12.540 1.00 45.12 O ATOM 0 H ASP A 36 -13.494 4.110 -12.880 1.00 24.33 H new ATOM 0 HA ASP A 36 -15.543 6.006 -13.620 1.00 13.22 H new ATOM 0 HB2 ASP A 36 -14.381 5.993 -11.420 1.00 0.12 H new ATOM 0 HB3 ASP A 36 -12.855 6.301 -12.224 1.00 0.12 H new ATOM 554 N GLY A 37 -14.626 6.741 -15.798 1.00 72.33 N ATOM 555 CA GLY A 37 -14.113 7.303 -17.030 1.00 44.44 C ATOM 556 C GLY A 37 -14.219 6.324 -18.179 1.00 24.53 C ATOM 557 O GLY A 37 -15.242 6.265 -18.862 1.00 1.40 O ATOM 0 H GLY A 37 -15.637 6.604 -15.781 1.00 72.33 H new ATOM 0 HA2 GLY A 37 -14.665 8.211 -17.273 1.00 44.44 H new ATOM 0 HA3 GLY A 37 -13.071 7.591 -16.892 1.00 44.44 H new ATOM 561 N PHE A 38 -13.170 5.544 -18.383 1.00 41.11 N ATOM 562 CA PHE A 38 -13.164 4.531 -19.427 1.00 40.42 C ATOM 563 C PHE A 38 -12.899 3.158 -18.825 1.00 34.05 C ATOM 564 O PHE A 38 -12.017 2.998 -17.982 1.00 75.24 O ATOM 565 CB PHE A 38 -12.113 4.848 -20.497 1.00 12.41 C ATOM 566 CG PHE A 38 -12.382 6.124 -21.246 1.00 40.13 C ATOM 567 CD1 PHE A 38 -13.397 6.189 -22.189 1.00 61.15 C ATOM 568 CD2 PHE A 38 -11.618 7.256 -21.011 1.00 21.22 C ATOM 569 CE1 PHE A 38 -13.647 7.359 -22.879 1.00 74.44 C ATOM 570 CE2 PHE A 38 -11.865 8.429 -21.700 1.00 14.05 C ATOM 571 CZ PHE A 38 -12.880 8.480 -22.633 1.00 12.22 C ATOM 0 H PHE A 38 -12.309 5.593 -17.838 1.00 41.11 H new ATOM 0 HA PHE A 38 -14.145 4.530 -19.903 1.00 40.42 H new ATOM 0 HB2 PHE A 38 -11.133 4.914 -20.024 1.00 12.41 H new ATOM 0 HB3 PHE A 38 -12.069 4.022 -21.207 1.00 12.41 H new ATOM 0 HD1 PHE A 38 -13.999 5.314 -22.386 1.00 61.15 H new ATOM 0 HD2 PHE A 38 -10.822 7.222 -20.282 1.00 21.22 H new ATOM 0 HE1 PHE A 38 -14.441 7.397 -23.610 1.00 74.44 H new ATOM 0 HE2 PHE A 38 -11.263 9.305 -21.508 1.00 14.05 H new ATOM 0 HZ PHE A 38 -13.074 9.396 -23.171 1.00 12.22 H new ATOM 581 N LYS A 39 -13.663 2.170 -19.266 1.00 65.32 N ATOM 582 CA LYS A 39 -13.533 0.809 -18.758 1.00 62.31 C ATOM 583 C LYS A 39 -12.465 0.059 -19.543 1.00 14.10 C ATOM 584 O LYS A 39 -12.713 -1.019 -20.082 1.00 70.43 O ATOM 585 CB LYS A 39 -14.870 0.057 -18.853 1.00 54.20 C ATOM 586 CG LYS A 39 -15.907 0.458 -17.808 1.00 4.44 C ATOM 587 CD LYS A 39 -16.374 1.894 -17.977 1.00 41.13 C ATOM 588 CE LYS A 39 -17.514 2.223 -17.031 1.00 1.42 C ATOM 589 NZ LYS A 39 -17.873 3.666 -17.071 1.00 21.44 N ATOM 0 H LYS A 39 -14.384 2.285 -19.978 1.00 65.32 H new ATOM 0 HA LYS A 39 -13.241 0.864 -17.709 1.00 62.31 H new ATOM 0 HB2 LYS A 39 -15.292 0.220 -19.844 1.00 54.20 H new ATOM 0 HB3 LYS A 39 -14.677 -1.012 -18.761 1.00 54.20 H new ATOM 0 HG2 LYS A 39 -16.765 -0.211 -17.876 1.00 4.44 H new ATOM 0 HG3 LYS A 39 -15.483 0.332 -16.812 1.00 4.44 H new ATOM 0 HD2 LYS A 39 -15.541 2.573 -17.794 1.00 41.13 H new ATOM 0 HD3 LYS A 39 -16.696 2.054 -19.006 1.00 41.13 H new ATOM 0 HE2 LYS A 39 -18.387 1.625 -17.293 1.00 1.42 H new ATOM 0 HE3 LYS A 39 -17.233 1.948 -16.015 1.00 1.42 H new ATOM 0 HZ1 LYS A 39 -18.872 3.782 -16.808 1.00 21.44 H new ATOM 0 HZ2 LYS A 39 -17.275 4.191 -16.401 1.00 21.44 H new ATOM 0 HZ3 LYS A 39 -17.722 4.035 -18.032 1.00 21.44 H new ATOM 603 N SER A 40 -11.279 0.641 -19.617 1.00 31.43 N ATOM 604 CA SER A 40 -10.193 0.051 -20.375 1.00 10.31 C ATOM 605 C SER A 40 -8.842 0.410 -19.769 1.00 75.01 C ATOM 606 O SER A 40 -8.423 1.569 -19.797 1.00 54.42 O ATOM 607 CB SER A 40 -10.260 0.520 -21.829 1.00 43.34 C ATOM 608 OG SER A 40 -11.518 0.200 -22.404 1.00 61.04 O ATOM 0 H SER A 40 -11.046 1.523 -19.160 1.00 31.43 H new ATOM 0 HA SER A 40 -10.300 -1.033 -20.340 1.00 10.31 H new ATOM 0 HB2 SER A 40 -10.097 1.597 -21.877 1.00 43.34 H new ATOM 0 HB3 SER A 40 -9.462 0.051 -22.404 1.00 43.34 H new ATOM 0 HG SER A 40 -11.541 0.510 -23.333 1.00 61.04 H new ATOM 614 N LEU A 41 -8.183 -0.586 -19.198 1.00 21.40 N ATOM 615 CA LEU A 41 -6.832 -0.417 -18.686 1.00 41.15 C ATOM 616 C LEU A 41 -5.842 -0.837 -19.761 1.00 44.03 C ATOM 617 O LEU A 41 -5.995 -1.897 -20.370 1.00 32.32 O ATOM 618 CB LEU A 41 -6.612 -1.241 -17.406 1.00 54.31 C ATOM 619 CG LEU A 41 -7.205 -0.649 -16.118 1.00 60.21 C ATOM 620 CD1 LEU A 41 -8.725 -0.631 -16.163 1.00 54.31 C ATOM 621 CD2 LEU A 41 -6.724 -1.429 -14.906 1.00 51.12 C ATOM 0 H LEU A 41 -8.564 -1.524 -19.077 1.00 21.40 H new ATOM 0 HA LEU A 41 -6.680 0.631 -18.430 1.00 41.15 H new ATOM 0 HB2 LEU A 41 -7.039 -2.233 -17.557 1.00 54.31 H new ATOM 0 HB3 LEU A 41 -5.540 -1.374 -17.262 1.00 54.31 H new ATOM 0 HG LEU A 41 -6.860 0.382 -16.036 1.00 60.21 H new ATOM 0 HD11 LEU A 41 -9.111 -0.206 -15.237 1.00 54.31 H new ATOM 0 HD12 LEU A 41 -9.057 -0.025 -17.006 1.00 54.31 H new ATOM 0 HD13 LEU A 41 -9.098 -1.649 -16.279 1.00 54.31 H new ATOM 0 HD21 LEU A 41 -7.153 -0.997 -14.002 1.00 51.12 H new ATOM 0 HD22 LEU A 41 -7.037 -2.469 -14.995 1.00 51.12 H new ATOM 0 HD23 LEU A 41 -5.636 -1.381 -14.850 1.00 51.12 H new ATOM 633 N ASP A 42 -4.844 -0.006 -20.008 1.00 41.11 N ATOM 634 CA ASP A 42 -3.920 -0.247 -21.103 1.00 70.50 C ATOM 635 C ASP A 42 -2.666 -0.937 -20.595 1.00 34.24 C ATOM 636 O ASP A 42 -2.035 -0.477 -19.636 1.00 11.35 O ATOM 637 CB ASP A 42 -3.554 1.065 -21.802 1.00 62.34 C ATOM 638 CG ASP A 42 -4.772 1.848 -22.258 1.00 43.23 C ATOM 639 OD1 ASP A 42 -5.405 1.450 -23.259 1.00 2.10 O ATOM 640 OD2 ASP A 42 -5.104 2.865 -21.609 1.00 42.22 O ATOM 0 H ASP A 42 -4.653 0.838 -19.468 1.00 41.11 H new ATOM 0 HA ASP A 42 -4.411 -0.898 -21.826 1.00 70.50 H new ATOM 0 HB2 ASP A 42 -2.965 1.681 -21.123 1.00 62.34 H new ATOM 0 HB3 ASP A 42 -2.923 0.848 -22.664 1.00 62.34 H new ATOM 645 N GLU A 43 -2.310 -2.042 -21.234 1.00 41.32 N ATOM 646 CA GLU A 43 -1.141 -2.804 -20.830 1.00 4.01 C ATOM 647 C GLU A 43 0.123 -1.966 -20.968 1.00 70.54 C ATOM 648 O GLU A 43 0.247 -1.146 -21.879 1.00 65.42 O ATOM 649 CB GLU A 43 -1.047 -4.118 -21.621 1.00 45.24 C ATOM 650 CG GLU A 43 -1.182 -3.983 -23.134 1.00 25.05 C ATOM 651 CD GLU A 43 0.090 -3.522 -23.817 1.00 42.32 C ATOM 652 OE1 GLU A 43 1.168 -4.087 -23.531 1.00 54.52 O ATOM 653 OE2 GLU A 43 0.017 -2.602 -24.653 1.00 52.50 O ATOM 0 H GLU A 43 -2.814 -2.429 -22.032 1.00 41.32 H new ATOM 0 HA GLU A 43 -1.244 -3.066 -19.777 1.00 4.01 H new ATOM 0 HB2 GLU A 43 -0.089 -4.588 -21.399 1.00 45.24 H new ATOM 0 HB3 GLU A 43 -1.824 -4.794 -21.263 1.00 45.24 H new ATOM 0 HG2 GLU A 43 -1.481 -4.945 -23.551 1.00 25.05 H new ATOM 0 HG3 GLU A 43 -1.981 -3.277 -23.358 1.00 25.05 H new ATOM 660 N GLY A 44 1.041 -2.150 -20.035 1.00 41.04 N ATOM 661 CA GLY A 44 2.241 -1.341 -20.008 1.00 14.33 C ATOM 662 C GLY A 44 2.137 -0.211 -19.003 1.00 2.41 C ATOM 663 O GLY A 44 3.149 0.308 -18.535 1.00 53.32 O ATOM 0 H GLY A 44 0.977 -2.847 -19.293 1.00 41.04 H new ATOM 0 HA2 GLY A 44 3.097 -1.969 -19.761 1.00 14.33 H new ATOM 0 HA3 GLY A 44 2.424 -0.929 -21.000 1.00 14.33 H new ATOM 667 N GLN A 45 0.909 0.169 -18.667 1.00 35.20 N ATOM 668 CA GLN A 45 0.681 1.218 -17.686 1.00 74.40 C ATOM 669 C GLN A 45 0.631 0.628 -16.283 1.00 70.02 C ATOM 670 O GLN A 45 0.081 -0.453 -16.075 1.00 43.00 O ATOM 671 CB GLN A 45 -0.619 1.969 -17.997 1.00 30.15 C ATOM 672 CG GLN A 45 -0.951 3.088 -17.014 1.00 52.25 C ATOM 673 CD GLN A 45 0.102 4.185 -16.969 1.00 55.53 C ATOM 674 OE1 GLN A 45 1.288 3.945 -17.198 1.00 62.04 O ATOM 675 NE2 GLN A 45 -0.324 5.396 -16.660 1.00 73.45 N ATOM 0 H GLN A 45 0.059 -0.234 -19.060 1.00 35.20 H new ATOM 0 HA GLN A 45 1.509 1.926 -17.736 1.00 74.40 H new ATOM 0 HB2 GLN A 45 -0.549 2.391 -18.999 1.00 30.15 H new ATOM 0 HB3 GLN A 45 -1.443 1.255 -18.008 1.00 30.15 H new ATOM 0 HG2 GLN A 45 -1.911 3.527 -17.286 1.00 52.25 H new ATOM 0 HG3 GLN A 45 -1.065 2.663 -16.017 1.00 52.25 H new ATOM 0 HE21 GLN A 45 -1.314 5.557 -16.477 1.00 73.45 H new ATOM 0 HE22 GLN A 45 0.337 6.171 -16.605 1.00 73.45 H new ATOM 684 N ALA A 46 1.216 1.330 -15.327 1.00 35.33 N ATOM 685 CA ALA A 46 1.234 0.865 -13.951 1.00 32.43 C ATOM 686 C ALA A 46 0.212 1.617 -13.113 1.00 14.43 C ATOM 687 O ALA A 46 0.212 2.845 -13.080 1.00 4.31 O ATOM 688 CB ALA A 46 2.624 1.020 -13.358 1.00 32.03 C ATOM 0 H ALA A 46 1.684 2.223 -15.479 1.00 35.33 H new ATOM 0 HA ALA A 46 0.968 -0.192 -13.944 1.00 32.43 H new ATOM 0 HB1 ALA A 46 2.621 0.667 -12.327 1.00 32.03 H new ATOM 0 HB2 ALA A 46 3.335 0.434 -13.940 1.00 32.03 H new ATOM 0 HB3 ALA A 46 2.914 2.070 -13.381 1.00 32.03 H new ATOM 694 N VAL A 47 -0.664 0.877 -12.453 1.00 33.32 N ATOM 695 CA VAL A 47 -1.676 1.473 -11.592 1.00 44.42 C ATOM 696 C VAL A 47 -1.490 1.010 -10.151 1.00 73.30 C ATOM 697 O VAL A 47 -0.678 0.125 -9.879 1.00 72.12 O ATOM 698 CB VAL A 47 -3.108 1.128 -12.061 1.00 53.21 C ATOM 699 CG1 VAL A 47 -3.393 1.748 -13.420 1.00 11.10 C ATOM 700 CG2 VAL A 47 -3.313 -0.381 -12.104 1.00 71.03 C ATOM 0 H VAL A 47 -0.696 -0.142 -12.497 1.00 33.32 H new ATOM 0 HA VAL A 47 -1.550 2.554 -11.650 1.00 44.42 H new ATOM 0 HB VAL A 47 -3.811 1.547 -11.341 1.00 53.21 H new ATOM 0 HG11 VAL A 47 -4.406 1.493 -13.731 1.00 11.10 H new ATOM 0 HG12 VAL A 47 -3.296 2.832 -13.353 1.00 11.10 H new ATOM 0 HG13 VAL A 47 -2.681 1.365 -14.151 1.00 11.10 H new ATOM 0 HG21 VAL A 47 -4.327 -0.601 -12.437 1.00 71.03 H new ATOM 0 HG22 VAL A 47 -2.599 -0.826 -12.798 1.00 71.03 H new ATOM 0 HG23 VAL A 47 -3.159 -0.798 -11.109 1.00 71.03 H new ATOM 710 N THR A 48 -2.232 1.608 -9.234 1.00 24.12 N ATOM 711 CA THR A 48 -2.138 1.250 -7.827 1.00 74.11 C ATOM 712 C THR A 48 -3.365 0.472 -7.381 1.00 21.22 C ATOM 713 O THR A 48 -4.475 1.004 -7.331 1.00 22.23 O ATOM 714 CB THR A 48 -1.968 2.498 -6.941 1.00 44.34 C ATOM 715 OG1 THR A 48 -2.947 3.482 -7.295 1.00 23.52 O ATOM 716 CG2 THR A 48 -0.576 3.087 -7.091 1.00 12.52 C ATOM 0 H THR A 48 -2.907 2.345 -9.438 1.00 24.12 H new ATOM 0 HA THR A 48 -1.256 0.619 -7.713 1.00 74.11 H new ATOM 0 HB THR A 48 -2.106 2.200 -5.902 1.00 44.34 H new ATOM 0 HG1 THR A 48 -2.836 4.273 -6.728 1.00 23.52 H new ATOM 0 HG21 THR A 48 -0.483 3.967 -6.455 1.00 12.52 H new ATOM 0 HG22 THR A 48 0.167 2.346 -6.796 1.00 12.52 H new ATOM 0 HG23 THR A 48 -0.411 3.372 -8.130 1.00 12.52 H new ATOM 724 N PHE A 49 -3.155 -0.788 -7.061 1.00 1.25 N ATOM 725 CA PHE A 49 -4.234 -1.666 -6.654 1.00 41.11 C ATOM 726 C PHE A 49 -3.952 -2.222 -5.268 1.00 53.33 C ATOM 727 O PHE A 49 -2.816 -2.187 -4.798 1.00 31.02 O ATOM 728 CB PHE A 49 -4.387 -2.809 -7.665 1.00 70.43 C ATOM 729 CG PHE A 49 -3.130 -3.616 -7.854 1.00 3.23 C ATOM 730 CD1 PHE A 49 -2.812 -4.642 -6.981 1.00 10.42 C ATOM 731 CD2 PHE A 49 -2.267 -3.346 -8.902 1.00 33.10 C ATOM 732 CE1 PHE A 49 -1.657 -5.383 -7.145 1.00 74.34 C ATOM 733 CE2 PHE A 49 -1.110 -4.083 -9.073 1.00 25.21 C ATOM 734 CZ PHE A 49 -0.805 -5.103 -8.193 1.00 73.43 C ATOM 0 H PHE A 49 -2.237 -1.231 -7.075 1.00 1.25 H new ATOM 0 HA PHE A 49 -5.165 -1.099 -6.623 1.00 41.11 H new ATOM 0 HB2 PHE A 49 -5.188 -3.471 -7.335 1.00 70.43 H new ATOM 0 HB3 PHE A 49 -4.691 -2.395 -8.626 1.00 70.43 H new ATOM 0 HD1 PHE A 49 -3.476 -4.867 -6.160 1.00 10.42 H new ATOM 0 HD2 PHE A 49 -2.500 -2.550 -9.594 1.00 33.10 H new ATOM 0 HE1 PHE A 49 -1.422 -6.179 -6.454 1.00 74.34 H new ATOM 0 HE2 PHE A 49 -0.445 -3.861 -9.894 1.00 25.21 H new ATOM 0 HZ PHE A 49 0.098 -5.680 -8.325 1.00 73.43 H new ATOM 744 N ASP A 50 -4.976 -2.714 -4.604 1.00 23.12 N ATOM 745 CA ASP A 50 -4.785 -3.383 -3.324 1.00 21.34 C ATOM 746 C ASP A 50 -5.024 -4.887 -3.470 1.00 54.20 C ATOM 747 O ASP A 50 -6.045 -5.318 -4.010 1.00 1.24 O ATOM 748 CB ASP A 50 -5.717 -2.790 -2.269 1.00 52.30 C ATOM 749 CG ASP A 50 -5.367 -3.243 -0.866 1.00 42.42 C ATOM 750 OD1 ASP A 50 -4.367 -2.737 -0.308 1.00 21.43 O ATOM 751 OD2 ASP A 50 -6.094 -4.090 -0.314 1.00 40.55 O ATOM 0 H ASP A 50 -5.944 -2.667 -4.922 1.00 23.12 H new ATOM 0 HA ASP A 50 -3.756 -3.227 -2.999 1.00 21.34 H new ATOM 0 HB2 ASP A 50 -5.671 -1.702 -2.318 1.00 52.30 H new ATOM 0 HB3 ASP A 50 -6.744 -3.076 -2.494 1.00 52.30 H new ATOM 756 N VAL A 51 -4.070 -5.687 -3.011 1.00 53.53 N ATOM 757 CA VAL A 51 -4.169 -7.134 -3.138 1.00 20.30 C ATOM 758 C VAL A 51 -5.129 -7.706 -2.101 1.00 54.42 C ATOM 759 O VAL A 51 -4.804 -7.799 -0.914 1.00 1.15 O ATOM 760 CB VAL A 51 -2.792 -7.820 -3.006 1.00 70.41 C ATOM 761 CG1 VAL A 51 -2.930 -9.333 -3.104 1.00 13.21 C ATOM 762 CG2 VAL A 51 -1.833 -7.307 -4.070 1.00 71.34 C ATOM 0 H VAL A 51 -3.222 -5.359 -2.549 1.00 53.53 H new ATOM 0 HA VAL A 51 -4.555 -7.338 -4.137 1.00 20.30 H new ATOM 0 HB VAL A 51 -2.385 -7.575 -2.025 1.00 70.41 H new ATOM 0 HG11 VAL A 51 -1.947 -9.795 -3.008 1.00 13.21 H new ATOM 0 HG12 VAL A 51 -3.579 -9.692 -2.305 1.00 13.21 H new ATOM 0 HG13 VAL A 51 -3.363 -9.597 -4.069 1.00 13.21 H new ATOM 0 HG21 VAL A 51 -0.868 -7.803 -3.960 1.00 71.34 H new ATOM 0 HG22 VAL A 51 -2.239 -7.519 -5.059 1.00 71.34 H new ATOM 0 HG23 VAL A 51 -1.703 -6.231 -3.955 1.00 71.34 H new ATOM 772 N GLU A 52 -6.312 -8.075 -2.565 1.00 24.22 N ATOM 773 CA GLU A 52 -7.340 -8.648 -1.717 1.00 51.43 C ATOM 774 C GLU A 52 -7.137 -10.156 -1.633 1.00 12.01 C ATOM 775 O GLU A 52 -6.697 -10.790 -2.599 1.00 70.11 O ATOM 776 CB GLU A 52 -8.723 -8.312 -2.287 1.00 2.45 C ATOM 777 CG GLU A 52 -9.777 -7.992 -1.235 1.00 52.42 C ATOM 778 CD GLU A 52 -10.234 -9.206 -0.455 1.00 34.51 C ATOM 779 OE1 GLU A 52 -11.193 -9.869 -0.900 1.00 71.23 O ATOM 780 OE2 GLU A 52 -9.648 -9.495 0.612 1.00 42.21 O ATOM 0 H GLU A 52 -6.585 -7.985 -3.544 1.00 24.22 H new ATOM 0 HA GLU A 52 -7.273 -8.230 -0.713 1.00 51.43 H new ATOM 0 HB2 GLU A 52 -8.628 -7.459 -2.959 1.00 2.45 H new ATOM 0 HB3 GLU A 52 -9.070 -9.154 -2.887 1.00 2.45 H new ATOM 0 HG2 GLU A 52 -9.375 -7.254 -0.541 1.00 52.42 H new ATOM 0 HG3 GLU A 52 -10.639 -7.536 -1.722 1.00 52.42 H new ATOM 787 N GLU A 53 -7.449 -10.721 -0.484 1.00 75.33 N ATOM 788 CA GLU A 53 -7.216 -12.131 -0.241 1.00 63.22 C ATOM 789 C GLU A 53 -8.358 -12.981 -0.774 1.00 12.21 C ATOM 790 O GLU A 53 -9.395 -13.131 -0.122 1.00 11.34 O ATOM 791 CB GLU A 53 -7.023 -12.383 1.252 1.00 44.45 C ATOM 792 CG GLU A 53 -5.658 -11.961 1.763 1.00 62.12 C ATOM 793 CD GLU A 53 -4.545 -12.744 1.101 1.00 31.55 C ATOM 794 OE1 GLU A 53 -4.628 -13.990 1.082 1.00 4.02 O ATOM 795 OE2 GLU A 53 -3.594 -12.126 0.580 1.00 75.53 O ATOM 0 H GLU A 53 -7.867 -10.222 0.301 1.00 75.33 H new ATOM 0 HA GLU A 53 -6.309 -12.418 -0.772 1.00 63.22 H new ATOM 0 HB2 GLU A 53 -7.792 -11.845 1.806 1.00 44.45 H new ATOM 0 HB3 GLU A 53 -7.167 -13.444 1.455 1.00 44.45 H new ATOM 0 HG2 GLU A 53 -5.514 -10.897 1.578 1.00 62.12 H new ATOM 0 HG3 GLU A 53 -5.613 -12.106 2.842 1.00 62.12 H new ATOM 802 N GLY A 54 -8.162 -13.532 -1.961 1.00 14.24 N ATOM 803 CA GLY A 54 -9.147 -14.419 -2.538 1.00 11.33 C ATOM 804 C GLY A 54 -9.025 -15.821 -1.983 1.00 64.24 C ATOM 805 O GLY A 54 -8.004 -16.168 -1.381 1.00 53.52 O ATOM 0 H GLY A 54 -7.334 -13.379 -2.537 1.00 14.24 H new ATOM 0 HA2 GLY A 54 -10.147 -14.033 -2.338 1.00 11.33 H new ATOM 0 HA3 GLY A 54 -9.026 -14.444 -3.621 1.00 11.33 H new ATOM 809 N GLN A 55 -10.053 -16.628 -2.197 1.00 73.33 N ATOM 810 CA GLN A 55 -10.114 -17.974 -1.642 1.00 22.12 C ATOM 811 C GLN A 55 -9.097 -18.911 -2.288 1.00 74.21 C ATOM 812 O GLN A 55 -8.705 -19.910 -1.683 1.00 45.32 O ATOM 813 CB GLN A 55 -11.529 -18.543 -1.793 1.00 73.31 C ATOM 814 CG GLN A 55 -12.045 -18.552 -3.224 1.00 54.55 C ATOM 815 CD GLN A 55 -13.461 -19.078 -3.334 1.00 61.14 C ATOM 816 OE1 GLN A 55 -13.887 -19.925 -2.548 1.00 4.13 O ATOM 817 NE2 GLN A 55 -14.204 -18.578 -4.307 1.00 14.40 N ATOM 0 H GLN A 55 -10.866 -16.371 -2.757 1.00 73.33 H new ATOM 0 HA GLN A 55 -9.862 -17.902 -0.584 1.00 22.12 H new ATOM 0 HB2 GLN A 55 -11.542 -19.562 -1.407 1.00 73.31 H new ATOM 0 HB3 GLN A 55 -12.212 -17.959 -1.176 1.00 73.31 H new ATOM 0 HG2 GLN A 55 -12.006 -17.539 -3.626 1.00 54.55 H new ATOM 0 HG3 GLN A 55 -11.386 -19.165 -3.839 1.00 54.55 H new ATOM 0 HE21 GLN A 55 -13.814 -17.878 -4.938 1.00 14.40 H new ATOM 0 HE22 GLN A 55 -15.167 -18.893 -4.427 1.00 14.40 H new ATOM 826 N ARG A 56 -8.663 -18.604 -3.505 1.00 71.12 N ATOM 827 CA ARG A 56 -7.703 -19.467 -4.184 1.00 70.34 C ATOM 828 C ARG A 56 -6.542 -18.675 -4.779 1.00 4.41 C ATOM 829 O ARG A 56 -5.807 -19.189 -5.626 1.00 73.41 O ATOM 830 CB ARG A 56 -8.380 -20.289 -5.286 1.00 41.05 C ATOM 831 CG ARG A 56 -8.931 -19.463 -6.435 1.00 21.43 C ATOM 832 CD ARG A 56 -8.972 -20.274 -7.721 1.00 61.42 C ATOM 833 NE ARG A 56 -7.628 -20.605 -8.196 1.00 61.31 N ATOM 834 CZ ARG A 56 -7.372 -21.295 -9.306 1.00 22.00 C ATOM 835 NH1 ARG A 56 -8.363 -21.801 -10.028 1.00 24.50 N ATOM 836 NH2 ARG A 56 -6.118 -21.492 -9.684 1.00 40.01 N ATOM 0 H ARG A 56 -8.953 -17.781 -4.033 1.00 71.12 H new ATOM 0 HA ARG A 56 -7.304 -20.142 -3.427 1.00 70.34 H new ATOM 0 HB2 ARG A 56 -7.661 -21.006 -5.682 1.00 41.05 H new ATOM 0 HB3 ARG A 56 -9.194 -20.865 -4.845 1.00 41.05 H new ATOM 0 HG2 ARG A 56 -9.934 -19.115 -6.189 1.00 21.43 H new ATOM 0 HG3 ARG A 56 -8.313 -18.577 -6.580 1.00 21.43 H new ATOM 0 HD2 ARG A 56 -9.535 -21.192 -7.554 1.00 61.42 H new ATOM 0 HD3 ARG A 56 -9.501 -19.711 -8.490 1.00 61.42 H new ATOM 0 HE ARG A 56 -6.835 -20.286 -7.640 1.00 61.31 H new ATOM 0 HH11 ARG A 56 -9.330 -21.663 -9.734 1.00 24.50 H new ATOM 0 HH12 ARG A 56 -8.158 -22.328 -10.877 1.00 24.50 H new ATOM 0 HH21 ARG A 56 -5.352 -21.116 -9.126 1.00 40.01 H new ATOM 0 HH22 ARG A 56 -5.918 -22.020 -10.534 1.00 40.01 H new ATOM 850 N GLY A 57 -6.366 -17.441 -4.339 1.00 53.24 N ATOM 851 CA GLY A 57 -5.273 -16.638 -4.850 1.00 25.31 C ATOM 852 C GLY A 57 -5.511 -15.153 -4.682 1.00 63.24 C ATOM 853 O GLY A 57 -6.537 -14.749 -4.137 1.00 44.50 O ATOM 0 H GLY A 57 -6.954 -16.982 -3.643 1.00 53.24 H new ATOM 0 HA2 GLY A 57 -4.353 -16.915 -4.336 1.00 25.31 H new ATOM 0 HA3 GLY A 57 -5.127 -16.861 -5.907 1.00 25.31 H new ATOM 857 N PRO A 58 -4.578 -14.314 -5.155 1.00 13.11 N ATOM 858 CA PRO A 58 -4.671 -12.860 -5.010 1.00 3.21 C ATOM 859 C PRO A 58 -5.684 -12.230 -5.968 1.00 4.14 C ATOM 860 O PRO A 58 -5.658 -12.475 -7.178 1.00 1.01 O ATOM 861 CB PRO A 58 -3.255 -12.385 -5.340 1.00 33.13 C ATOM 862 CG PRO A 58 -2.721 -13.414 -6.276 1.00 24.23 C ATOM 863 CD PRO A 58 -3.351 -14.719 -5.872 1.00 31.22 C ATOM 0 HA PRO A 58 -5.016 -12.574 -4.016 1.00 3.21 H new ATOM 0 HB2 PRO A 58 -3.266 -11.397 -5.801 1.00 33.13 H new ATOM 0 HB3 PRO A 58 -2.642 -12.311 -4.441 1.00 33.13 H new ATOM 0 HG2 PRO A 58 -2.968 -13.166 -7.308 1.00 24.23 H new ATOM 0 HG3 PRO A 58 -1.634 -13.471 -6.213 1.00 24.23 H new ATOM 0 HD2 PRO A 58 -3.581 -15.337 -6.740 1.00 31.22 H new ATOM 0 HD3 PRO A 58 -2.688 -15.302 -5.232 1.00 31.22 H new ATOM 871 N GLN A 59 -6.581 -11.426 -5.417 1.00 0.32 N ATOM 872 CA GLN A 59 -7.557 -10.705 -6.217 1.00 32.55 C ATOM 873 C GLN A 59 -7.275 -9.213 -6.157 1.00 70.52 C ATOM 874 O GLN A 59 -7.000 -8.671 -5.089 1.00 12.33 O ATOM 875 CB GLN A 59 -8.977 -10.982 -5.723 1.00 23.24 C ATOM 876 CG GLN A 59 -9.464 -12.393 -6.001 1.00 55.42 C ATOM 877 CD GLN A 59 -10.918 -12.581 -5.623 1.00 34.21 C ATOM 878 OE1 GLN A 59 -11.414 -11.950 -4.692 1.00 33.41 O ATOM 879 NE2 GLN A 59 -11.619 -13.429 -6.356 1.00 23.23 N ATOM 0 H GLN A 59 -6.652 -11.257 -4.414 1.00 0.32 H new ATOM 0 HA GLN A 59 -7.476 -11.049 -7.248 1.00 32.55 H new ATOM 0 HB2 GLN A 59 -9.019 -10.799 -4.649 1.00 23.24 H new ATOM 0 HB3 GLN A 59 -9.659 -10.274 -6.194 1.00 23.24 H new ATOM 0 HG2 GLN A 59 -9.333 -12.619 -7.059 1.00 55.42 H new ATOM 0 HG3 GLN A 59 -8.851 -13.103 -5.446 1.00 55.42 H new ATOM 0 HE21 GLN A 59 -11.171 -13.934 -7.120 1.00 23.23 H new ATOM 0 HE22 GLN A 59 -12.608 -13.578 -6.157 1.00 23.23 H new ATOM 888 N ALA A 60 -7.326 -8.553 -7.298 1.00 1.32 N ATOM 889 CA ALA A 60 -7.049 -7.130 -7.346 1.00 75.44 C ATOM 890 C ALA A 60 -8.293 -6.322 -7.028 1.00 64.20 C ATOM 891 O ALA A 60 -9.216 -6.233 -7.842 1.00 11.40 O ATOM 892 CB ALA A 60 -6.485 -6.734 -8.697 1.00 52.25 C ATOM 0 H ALA A 60 -7.555 -8.975 -8.198 1.00 1.32 H new ATOM 0 HA ALA A 60 -6.299 -6.910 -6.586 1.00 75.44 H new ATOM 0 HB1 ALA A 60 -6.286 -5.662 -8.708 1.00 52.25 H new ATOM 0 HB2 ALA A 60 -5.558 -7.278 -8.878 1.00 52.25 H new ATOM 0 HB3 ALA A 60 -7.206 -6.977 -9.478 1.00 52.25 H new ATOM 898 N ALA A 61 -8.320 -5.772 -5.829 1.00 71.43 N ATOM 899 CA ALA A 61 -9.384 -4.882 -5.407 1.00 2.14 C ATOM 900 C ALA A 61 -8.797 -3.504 -5.170 1.00 11.52 C ATOM 901 O ALA A 61 -7.579 -3.362 -5.142 1.00 30.24 O ATOM 902 CB ALA A 61 -10.064 -5.405 -4.148 1.00 43.21 C ATOM 0 H ALA A 61 -7.604 -5.930 -5.120 1.00 71.43 H new ATOM 0 HA ALA A 61 -10.144 -4.827 -6.186 1.00 2.14 H new ATOM 0 HB1 ALA A 61 -10.858 -4.720 -3.852 1.00 43.21 H new ATOM 0 HB2 ALA A 61 -10.489 -6.389 -4.346 1.00 43.21 H new ATOM 0 HB3 ALA A 61 -9.332 -5.481 -3.344 1.00 43.21 H new ATOM 908 N ASN A 62 -9.648 -2.498 -4.999 1.00 3.30 N ATOM 909 CA ASN A 62 -9.188 -1.117 -4.856 1.00 31.44 C ATOM 910 C ASN A 62 -8.231 -0.766 -5.993 1.00 55.23 C ATOM 911 O ASN A 62 -7.011 -0.736 -5.810 1.00 45.24 O ATOM 912 CB ASN A 62 -8.494 -0.883 -3.506 1.00 3.42 C ATOM 913 CG ASN A 62 -9.414 -1.073 -2.318 1.00 24.03 C ATOM 914 OD1 ASN A 62 -10.623 -0.849 -2.407 1.00 1.22 O ATOM 915 ND2 ASN A 62 -8.850 -1.498 -1.197 1.00 12.31 N ATOM 0 H ASN A 62 -10.661 -2.611 -4.956 1.00 3.30 H new ATOM 0 HA ASN A 62 -10.065 -0.472 -4.898 1.00 31.44 H new ATOM 0 HB2 ASN A 62 -7.650 -1.567 -3.416 1.00 3.42 H new ATOM 0 HB3 ASN A 62 -8.088 0.129 -3.484 1.00 3.42 H new ATOM 0 HD21 ASN A 62 -9.420 -1.652 -0.366 1.00 12.31 H new ATOM 0 HD22 ASN A 62 -7.845 -1.672 -1.165 1.00 12.31 H new ATOM 922 N VAL A 63 -8.789 -0.545 -7.173 1.00 43.23 N ATOM 923 CA VAL A 63 -7.989 -0.259 -8.353 1.00 11.45 C ATOM 924 C VAL A 63 -7.959 1.241 -8.595 1.00 15.42 C ATOM 925 O VAL A 63 -8.856 1.801 -9.226 1.00 40.34 O ATOM 926 CB VAL A 63 -8.537 -0.973 -9.609 1.00 13.44 C ATOM 927 CG1 VAL A 63 -7.577 -0.805 -10.780 1.00 13.43 C ATOM 928 CG2 VAL A 63 -8.787 -2.449 -9.328 1.00 13.31 C ATOM 0 H VAL A 63 -9.795 -0.558 -7.339 1.00 43.23 H new ATOM 0 HA VAL A 63 -6.981 -0.633 -8.170 1.00 11.45 H new ATOM 0 HB VAL A 63 -9.489 -0.513 -9.874 1.00 13.44 H new ATOM 0 HG11 VAL A 63 -7.979 -1.314 -11.656 1.00 13.43 H new ATOM 0 HG12 VAL A 63 -7.455 0.255 -11.001 1.00 13.43 H new ATOM 0 HG13 VAL A 63 -6.610 -1.236 -10.522 1.00 13.43 H new ATOM 0 HG21 VAL A 63 -9.172 -2.930 -10.227 1.00 13.31 H new ATOM 0 HG22 VAL A 63 -7.853 -2.927 -9.033 1.00 13.31 H new ATOM 0 HG23 VAL A 63 -9.515 -2.548 -8.523 1.00 13.31 H new ATOM 938 N GLN A 64 -6.941 1.891 -8.063 1.00 11.31 N ATOM 939 CA GLN A 64 -6.830 3.334 -8.140 1.00 24.41 C ATOM 940 C GLN A 64 -5.906 3.739 -9.279 1.00 20.42 C ATOM 941 O GLN A 64 -4.962 3.020 -9.618 1.00 44.11 O ATOM 942 CB GLN A 64 -6.305 3.888 -6.817 1.00 44.42 C ATOM 943 CG GLN A 64 -7.083 3.395 -5.607 1.00 75.01 C ATOM 944 CD GLN A 64 -6.551 3.950 -4.305 1.00 22.12 C ATOM 945 OE1 GLN A 64 -5.658 3.374 -3.688 1.00 22.01 O ATOM 946 NE2 GLN A 64 -7.113 5.064 -3.870 1.00 34.42 N ATOM 0 H GLN A 64 -6.173 1.437 -7.569 1.00 11.31 H new ATOM 0 HA GLN A 64 -7.819 3.749 -8.333 1.00 24.41 H new ATOM 0 HB2 GLN A 64 -5.257 3.609 -6.705 1.00 44.42 H new ATOM 0 HB3 GLN A 64 -6.344 4.977 -6.846 1.00 44.42 H new ATOM 0 HG2 GLN A 64 -8.131 3.675 -5.715 1.00 75.01 H new ATOM 0 HG3 GLN A 64 -7.046 2.306 -5.575 1.00 75.01 H new ATOM 0 HE21 GLN A 64 -7.852 5.509 -4.415 1.00 34.42 H new ATOM 0 HE22 GLN A 64 -6.808 5.479 -2.989 1.00 34.42 H new ATOM 955 N LYS A 65 -6.186 4.890 -9.868 1.00 1.41 N ATOM 956 CA LYS A 65 -5.387 5.396 -10.974 1.00 54.22 C ATOM 957 C LYS A 65 -4.079 5.980 -10.461 1.00 42.21 C ATOM 958 O LYS A 65 -4.075 6.801 -9.541 1.00 14.44 O ATOM 959 CB LYS A 65 -6.150 6.477 -11.745 1.00 14.20 C ATOM 960 CG LYS A 65 -7.497 6.028 -12.290 1.00 22.10 C ATOM 961 CD LYS A 65 -8.217 7.179 -12.977 1.00 73.20 C ATOM 962 CE LYS A 65 -9.595 6.771 -13.474 1.00 65.21 C ATOM 963 NZ LYS A 65 -10.314 7.911 -14.106 1.00 72.32 N ATOM 0 H LYS A 65 -6.963 5.494 -9.598 1.00 1.41 H new ATOM 0 HA LYS A 65 -5.176 4.561 -11.642 1.00 54.22 H new ATOM 0 HB2 LYS A 65 -6.305 7.333 -11.089 1.00 14.20 H new ATOM 0 HB3 LYS A 65 -5.532 6.819 -12.575 1.00 14.20 H new ATOM 0 HG2 LYS A 65 -7.354 5.210 -12.996 1.00 22.10 H new ATOM 0 HG3 LYS A 65 -8.112 5.643 -11.477 1.00 22.10 H new ATOM 0 HD2 LYS A 65 -8.314 8.013 -12.282 1.00 73.20 H new ATOM 0 HD3 LYS A 65 -7.618 7.532 -13.817 1.00 73.20 H new ATOM 0 HE2 LYS A 65 -9.496 5.959 -14.195 1.00 65.21 H new ATOM 0 HE3 LYS A 65 -10.183 6.387 -12.640 1.00 65.21 H new ATOM 0 HZ1 LYS A 65 -11.280 7.617 -14.356 1.00 72.32 H new ATOM 0 HZ2 LYS A 65 -10.356 8.708 -13.439 1.00 72.32 H new ATOM 0 HZ3 LYS A 65 -9.809 8.206 -14.966 1.00 72.32 H new ATOM 977 N ALA A 66 -2.978 5.550 -11.053 1.00 72.30 N ATOM 978 CA ALA A 66 -1.674 6.091 -10.721 1.00 22.34 C ATOM 979 C ALA A 66 -1.272 7.120 -11.765 1.00 34.34 C ATOM 980 O ALA A 66 -0.819 6.713 -12.856 1.00 72.30 O ATOM 981 CB ALA A 66 -0.639 4.977 -10.624 1.00 75.41 C ATOM 982 OXT ALA A 66 -1.444 8.325 -11.506 1.00 0.00 O ATOM 0 H ALA A 66 -2.963 4.824 -11.769 1.00 72.30 H new ATOM 0 HA ALA A 66 -1.725 6.579 -9.748 1.00 22.34 H new ATOM 0 HB1 ALA A 66 0.332 5.404 -10.374 1.00 75.41 H new ATOM 0 HB2 ALA A 66 -0.936 4.271 -9.848 1.00 75.41 H new ATOM 0 HB3 ALA A 66 -0.572 4.458 -11.580 1.00 75.41 H new TER 988 ALA A 66