USER MOD reduce.3.24.130724 H: found=0, std=0, add=524, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 519 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 54 HIS : no HD1:sc= 0.668 K(o=1.5,f=-8.2!) USER MOD Set 1.2: A 55 THR OG1 : rot 70:sc= 0.882 USER MOD Set 2.1: A 35 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 60 SER OG : rot 180:sc= -0.447 USER MOD Set 3.1: A 18 TYR OH : rot 18:sc= 0.279 USER MOD Set 3.2: A 28 GLN :FLIP amide:sc= -5.37! C(o=-6.5!,f=-5.1!) USER MOD Set 4.1: A 7 SER OG : rot -22:sc= 0.719 USER MOD Set 4.2: A 13 ASN : amide:sc= -8.55! C(o=-7.8!,f=-18!) USER MOD Single : A 1 SER N :NH3+ -153:sc= -2.11 (180deg=-3.79!) USER MOD Single : A 1 SER OG : rot 36:sc= 0.237 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 ASN :FLIP amide:sc= -0.592 F(o=-1.3,f=-0.59) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 166:sc= -0.0298 (180deg=-0.397) USER MOD Single : A 24 SER OG : rot 27:sc= 0.494 USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot 108:sc= 1.27 USER MOD Single : A 36 TYR OH : rot -37:sc= 0.306 USER MOD Single : A 37 THR OG1 : rot -63:sc= 0.647 USER MOD Single : A 39 GLN : amide:sc= -1.62! C(o=-1.6!,f=-1.6!) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 ASN :FLIP amide:sc= 0.0397 F(o=-1.4,f=0.04) USER MOD Single : A 46 GLN : amide:sc= -0.0559 X(o=-0.056,f=-0.45) USER MOD Single : A 50 SER OG : rot 99:sc= 0.456 USER MOD Single : A 59 SER OG : rot 23:sc= 0.49 USER MOD Single : A 65 ASN : amide:sc= 0.075 K(o=0.075,f=-0.47) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot -114:sc= 0.885 USER MOD Single : A 75 GLN :FLIP amide:sc= -0.234 F(o=-0.77,f=-0.23) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -9.829 -4.065 1.160 1.00 0.00 N ATOM 2 CA SER A 1 -8.604 -3.227 1.113 1.00 0.00 C ATOM 3 C SER A 1 -7.390 -4.154 1.252 1.00 0.00 C ATOM 4 O SER A 1 -7.207 -4.784 2.276 1.00 0.00 O ATOM 5 CB SER A 1 -8.640 -2.207 2.270 1.00 0.00 C ATOM 6 OG SER A 1 -7.465 -1.428 2.109 1.00 0.00 O ATOM 0 H1 SER A 1 -10.593 -3.592 0.636 1.00 0.00 H new ATOM 0 H2 SER A 1 -9.633 -4.990 0.727 1.00 0.00 H new ATOM 0 H3 SER A 1 -10.119 -4.200 2.149 1.00 0.00 H new ATOM 0 HA SER A 1 -8.543 -2.680 0.172 1.00 0.00 H new ATOM 0 HB2 SER A 1 -9.535 -1.586 2.221 1.00 0.00 H new ATOM 0 HB3 SER A 1 -8.652 -2.708 3.238 1.00 0.00 H new ATOM 0 HG SER A 1 -7.285 -1.301 1.154 1.00 0.00 H new ATOM 11 N ALA A 2 -6.600 -4.209 0.208 1.00 0.00 N ATOM 12 CA ALA A 2 -5.380 -5.076 0.211 1.00 0.00 C ATOM 13 C ALA A 2 -4.326 -4.516 -0.750 1.00 0.00 C ATOM 14 O ALA A 2 -4.439 -4.633 -1.955 1.00 0.00 O ATOM 15 CB ALA A 2 -5.782 -6.497 -0.205 1.00 0.00 C ATOM 0 H ALA A 2 -6.750 -3.685 -0.654 1.00 0.00 H new ATOM 0 HA ALA A 2 -4.947 -5.097 1.211 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -4.901 -7.139 -0.207 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -6.515 -6.889 0.500 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -6.216 -6.474 -1.205 1.00 0.00 H new ATOM 21 N PHE A 3 -3.329 -3.919 -0.150 1.00 0.00 N ATOM 22 CA PHE A 3 -2.196 -3.305 -0.900 1.00 0.00 C ATOM 23 C PHE A 3 -0.997 -4.264 -0.975 1.00 0.00 C ATOM 24 O PHE A 3 -0.131 -4.251 -0.121 1.00 0.00 O ATOM 25 CB PHE A 3 -1.881 -2.013 -0.155 1.00 0.00 C ATOM 26 CG PHE A 3 -0.913 -1.072 -0.893 1.00 0.00 C ATOM 27 CD1 PHE A 3 -1.300 -0.439 -2.060 1.00 0.00 C ATOM 28 CD2 PHE A 3 0.347 -0.825 -0.383 1.00 0.00 C ATOM 29 CE1 PHE A 3 -0.444 0.426 -2.704 1.00 0.00 C ATOM 30 CE2 PHE A 3 1.203 0.041 -1.028 1.00 0.00 C ATOM 31 CZ PHE A 3 0.809 0.668 -2.187 1.00 0.00 C ATOM 0 H PHE A 3 -3.253 -3.830 0.863 1.00 0.00 H new ATOM 0 HA PHE A 3 -2.446 -3.097 -1.940 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -2.813 -1.480 0.033 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -1.455 -2.263 0.817 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -2.282 -0.625 -2.470 1.00 0.00 H new ATOM 0 HD2 PHE A 3 0.663 -1.314 0.527 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -0.756 0.915 -3.615 1.00 0.00 H new ATOM 0 HE2 PHE A 3 2.186 0.228 -0.622 1.00 0.00 H new ATOM 0 HZ PHE A 3 1.480 1.348 -2.690 1.00 0.00 H new ATOM 41 N THR A 4 -0.988 -5.076 -2.003 1.00 0.00 N ATOM 42 CA THR A 4 0.127 -6.058 -2.197 1.00 0.00 C ATOM 43 C THR A 4 1.333 -5.261 -2.700 1.00 0.00 C ATOM 44 O THR A 4 1.147 -4.233 -3.319 1.00 0.00 O ATOM 45 CB THR A 4 -0.306 -7.109 -3.234 1.00 0.00 C ATOM 46 OG1 THR A 4 -1.481 -7.684 -2.680 1.00 0.00 O ATOM 47 CG2 THR A 4 0.692 -8.283 -3.292 1.00 0.00 C ATOM 0 H THR A 4 -1.711 -5.102 -2.723 1.00 0.00 H new ATOM 0 HA THR A 4 0.378 -6.580 -1.273 1.00 0.00 H new ATOM 0 HB THR A 4 -0.403 -6.647 -4.216 1.00 0.00 H new ATOM 0 HG1 THR A 4 -1.827 -8.371 -3.287 1.00 0.00 H new ATOM 0 HG21 THR A 4 0.358 -9.008 -4.034 1.00 0.00 H new ATOM 0 HG22 THR A 4 1.678 -7.909 -3.568 1.00 0.00 H new ATOM 0 HG23 THR A 4 0.747 -8.763 -2.315 1.00 0.00 H new ATOM 55 N VAL A 5 2.525 -5.732 -2.431 1.00 0.00 N ATOM 56 CA VAL A 5 3.747 -4.993 -2.893 1.00 0.00 C ATOM 57 C VAL A 5 4.912 -5.952 -3.193 1.00 0.00 C ATOM 58 O VAL A 5 4.935 -7.060 -2.698 1.00 0.00 O ATOM 59 CB VAL A 5 4.198 -3.974 -1.791 1.00 0.00 C ATOM 60 CG1 VAL A 5 3.012 -3.068 -1.377 1.00 0.00 C ATOM 61 CG2 VAL A 5 4.671 -4.727 -0.524 1.00 0.00 C ATOM 0 H VAL A 5 2.708 -6.592 -1.914 1.00 0.00 H new ATOM 0 HA VAL A 5 3.487 -4.468 -3.812 1.00 0.00 H new ATOM 0 HB VAL A 5 5.009 -3.376 -2.206 1.00 0.00 H new ATOM 0 HG11 VAL A 5 3.341 -2.366 -0.611 1.00 0.00 H new ATOM 0 HG12 VAL A 5 2.655 -2.516 -2.246 1.00 0.00 H new ATOM 0 HG13 VAL A 5 2.204 -3.684 -0.982 1.00 0.00 H new ATOM 0 HG21 VAL A 5 4.981 -4.007 0.233 1.00 0.00 H new ATOM 0 HG22 VAL A 5 3.853 -5.333 -0.134 1.00 0.00 H new ATOM 0 HG23 VAL A 5 5.512 -5.372 -0.777 1.00 0.00 H new ATOM 71 N TRP A 6 5.834 -5.483 -4.000 1.00 0.00 N ATOM 72 CA TRP A 6 7.041 -6.265 -4.397 1.00 0.00 C ATOM 73 C TRP A 6 8.208 -5.262 -4.251 1.00 0.00 C ATOM 74 O TRP A 6 8.027 -4.087 -4.505 1.00 0.00 O ATOM 75 CB TRP A 6 6.874 -6.735 -5.852 1.00 0.00 C ATOM 76 CG TRP A 6 5.636 -7.625 -6.042 1.00 0.00 C ATOM 77 CD1 TRP A 6 5.645 -8.990 -6.133 1.00 0.00 C ATOM 78 CD2 TRP A 6 4.346 -7.205 -6.153 1.00 0.00 C ATOM 79 NE1 TRP A 6 4.385 -9.316 -6.291 1.00 0.00 N ATOM 80 CE2 TRP A 6 3.526 -8.321 -6.317 1.00 0.00 C ATOM 81 CE3 TRP A 6 3.791 -5.929 -6.131 1.00 0.00 C ATOM 82 CZ2 TRP A 6 2.153 -8.148 -6.456 1.00 0.00 C ATOM 83 CZ3 TRP A 6 2.422 -5.768 -6.271 1.00 0.00 C ATOM 84 CH2 TRP A 6 1.613 -6.885 -6.433 1.00 0.00 C ATOM 0 H TRP A 6 5.793 -4.552 -4.414 1.00 0.00 H new ATOM 0 HA TRP A 6 7.208 -7.158 -3.794 1.00 0.00 H new ATOM 0 HB2 TRP A 6 6.797 -5.866 -6.505 1.00 0.00 H new ATOM 0 HB3 TRP A 6 7.764 -7.285 -6.158 1.00 0.00 H new ATOM 0 HD1 TRP A 6 6.498 -9.650 -6.085 1.00 0.00 H new ATOM 0 HE1 TRP A 6 4.088 -10.287 -6.388 1.00 0.00 H new ATOM 0 HE3 TRP A 6 4.427 -5.065 -6.005 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 1.511 -9.007 -6.582 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 1.987 -4.780 -6.254 1.00 0.00 H new ATOM 0 HH2 TRP A 6 0.546 -6.759 -6.542 1.00 0.00 H new ATOM 95 N SER A 7 9.364 -5.741 -3.852 1.00 0.00 N ATOM 96 CA SER A 7 10.565 -4.850 -3.665 1.00 0.00 C ATOM 97 C SER A 7 11.094 -4.103 -4.900 1.00 0.00 C ATOM 98 O SER A 7 11.495 -2.961 -4.778 1.00 0.00 O ATOM 99 CB SER A 7 11.709 -5.696 -3.070 1.00 0.00 C ATOM 100 OG SER A 7 11.973 -6.712 -4.026 1.00 0.00 O ATOM 0 H SER A 7 9.532 -6.725 -3.644 1.00 0.00 H new ATOM 0 HA SER A 7 10.214 -4.055 -3.007 1.00 0.00 H new ATOM 0 HB2 SER A 7 12.595 -5.086 -2.892 1.00 0.00 H new ATOM 0 HB3 SER A 7 11.420 -6.126 -2.111 1.00 0.00 H new ATOM 0 HG SER A 7 11.187 -6.835 -4.599 1.00 0.00 H new ATOM 106 N GLY A 8 11.094 -4.744 -6.041 1.00 0.00 N ATOM 107 CA GLY A 8 11.596 -4.071 -7.282 1.00 0.00 C ATOM 108 C GLY A 8 11.804 -5.074 -8.429 1.00 0.00 C ATOM 109 O GLY A 8 12.115 -6.219 -8.167 1.00 0.00 O ATOM 0 H GLY A 8 10.769 -5.702 -6.169 1.00 0.00 H new ATOM 0 HA2 GLY A 8 10.886 -3.305 -7.593 1.00 0.00 H new ATOM 0 HA3 GLY A 8 12.537 -3.565 -7.066 1.00 0.00 H new ATOM 113 N PRO A 9 11.643 -4.644 -9.664 1.00 0.00 N ATOM 114 CA PRO A 9 11.478 -3.216 -10.088 1.00 0.00 C ATOM 115 C PRO A 9 10.035 -2.768 -9.815 1.00 0.00 C ATOM 116 O PRO A 9 9.792 -1.796 -9.127 1.00 0.00 O ATOM 117 CB PRO A 9 11.838 -3.196 -11.571 1.00 0.00 C ATOM 118 CG PRO A 9 11.784 -4.660 -12.063 1.00 0.00 C ATOM 119 CD PRO A 9 11.602 -5.570 -10.832 1.00 0.00 C ATOM 0 HA PRO A 9 12.115 -2.521 -9.540 1.00 0.00 H new ATOM 0 HB2 PRO A 9 11.139 -2.574 -12.130 1.00 0.00 H new ATOM 0 HB3 PRO A 9 12.831 -2.774 -11.722 1.00 0.00 H new ATOM 0 HG2 PRO A 9 10.960 -4.797 -12.763 1.00 0.00 H new ATOM 0 HG3 PRO A 9 12.700 -4.917 -12.595 1.00 0.00 H new ATOM 0 HD2 PRO A 9 10.656 -6.110 -10.876 1.00 0.00 H new ATOM 0 HD3 PRO A 9 12.393 -6.317 -10.772 1.00 0.00 H new ATOM 127 N GLY A 10 9.133 -3.519 -10.388 1.00 0.00 N ATOM 128 CA GLY A 10 7.680 -3.255 -10.239 1.00 0.00 C ATOM 129 C GLY A 10 7.126 -4.392 -9.392 1.00 0.00 C ATOM 130 O GLY A 10 7.685 -4.738 -8.370 1.00 0.00 O ATOM 0 H GLY A 10 9.354 -4.327 -10.969 1.00 0.00 H new ATOM 0 HA2 GLY A 10 7.507 -2.292 -9.759 1.00 0.00 H new ATOM 0 HA3 GLY A 10 7.189 -3.219 -11.212 1.00 0.00 H new ATOM 134 N CYS A 11 6.037 -4.934 -9.865 1.00 0.00 N ATOM 135 CA CYS A 11 5.347 -6.063 -9.180 1.00 0.00 C ATOM 136 C CYS A 11 5.960 -7.362 -9.737 1.00 0.00 C ATOM 137 O CYS A 11 5.246 -8.273 -10.112 1.00 0.00 O ATOM 138 CB CYS A 11 3.857 -5.962 -9.509 1.00 0.00 C ATOM 139 SG CYS A 11 3.470 -5.979 -11.279 1.00 0.00 S ATOM 0 H CYS A 11 5.583 -4.630 -10.726 1.00 0.00 H new ATOM 0 HA CYS A 11 5.465 -6.043 -8.097 1.00 0.00 H new ATOM 0 HB2 CYS A 11 3.336 -6.790 -9.029 1.00 0.00 H new ATOM 0 HB3 CYS A 11 3.464 -5.043 -9.074 1.00 0.00 H new ATOM 144 N ASN A 12 7.273 -7.413 -9.773 1.00 0.00 N ATOM 145 CA ASN A 12 7.972 -8.626 -10.312 1.00 0.00 C ATOM 146 C ASN A 12 9.219 -8.997 -9.488 1.00 0.00 C ATOM 147 O ASN A 12 10.328 -8.684 -9.878 1.00 0.00 O ATOM 148 CB ASN A 12 8.363 -8.325 -11.775 1.00 0.00 C ATOM 149 CG ASN A 12 7.168 -7.726 -12.536 1.00 0.00 C ATOM 150 OD1 ASN A 12 6.954 -6.441 -12.428 1.00 0.00 O flip ATOM 151 ND2 ASN A 12 6.432 -8.409 -13.220 1.00 0.00 N flip ATOM 0 H ASN A 12 7.890 -6.667 -9.452 1.00 0.00 H new ATOM 0 HA ASN A 12 7.301 -9.483 -10.252 1.00 0.00 H new ATOM 0 HB2 ASN A 12 9.203 -7.630 -11.798 1.00 0.00 H new ATOM 0 HB3 ASN A 12 8.693 -9.241 -12.266 1.00 0.00 H new ATOM 0 HD21 ASN A 12 6.599 -9.412 -13.304 1.00 0.00 H new ATOM 0 HD22 ASN A 12 5.647 -7.980 -13.710 1.00 0.00 H new ATOM 158 N ASN A 13 8.990 -9.658 -8.378 1.00 0.00 N ATOM 159 CA ASN A 13 10.079 -10.105 -7.445 1.00 0.00 C ATOM 160 C ASN A 13 9.416 -10.657 -6.163 1.00 0.00 C ATOM 161 O ASN A 13 8.349 -11.235 -6.246 1.00 0.00 O ATOM 162 CB ASN A 13 11.002 -8.895 -7.117 1.00 0.00 C ATOM 163 CG ASN A 13 10.125 -7.769 -6.577 1.00 0.00 C ATOM 164 OD1 ASN A 13 9.939 -7.671 -5.384 1.00 0.00 O ATOM 165 ND2 ASN A 13 9.564 -6.914 -7.394 1.00 0.00 N ATOM 0 H ASN A 13 8.054 -9.917 -8.067 1.00 0.00 H new ATOM 0 HA ASN A 13 10.689 -10.885 -7.901 1.00 0.00 H new ATOM 0 HB2 ASN A 13 11.755 -9.178 -6.382 1.00 0.00 H new ATOM 0 HB3 ASN A 13 11.535 -8.569 -8.010 1.00 0.00 H new ATOM 0 HD21 ASN A 13 8.973 -6.169 -7.025 1.00 0.00 H new ATOM 0 HD22 ASN A 13 9.718 -6.993 -8.399 1.00 0.00 H new ATOM 172 N ARG A 14 10.045 -10.480 -5.022 1.00 0.00 N ATOM 173 CA ARG A 14 9.454 -10.984 -3.738 1.00 0.00 C ATOM 174 C ARG A 14 8.150 -10.220 -3.459 1.00 0.00 C ATOM 175 O ARG A 14 7.862 -9.261 -4.148 1.00 0.00 O ATOM 176 CB ARG A 14 10.437 -10.752 -2.570 1.00 0.00 C ATOM 177 CG ARG A 14 10.838 -9.254 -2.473 1.00 0.00 C ATOM 178 CD ARG A 14 11.428 -8.962 -1.085 1.00 0.00 C ATOM 179 NE ARG A 14 10.320 -9.106 -0.084 1.00 0.00 N ATOM 180 CZ ARG A 14 10.231 -8.352 0.983 1.00 0.00 C ATOM 181 NH1 ARG A 14 11.123 -7.428 1.232 1.00 0.00 N ATOM 182 NH2 ARG A 14 9.223 -8.554 1.787 1.00 0.00 N ATOM 0 H ARG A 14 10.944 -10.007 -4.925 1.00 0.00 H new ATOM 0 HA ARG A 14 9.256 -12.052 -3.827 1.00 0.00 H new ATOM 0 HB2 ARG A 14 9.978 -11.071 -1.634 1.00 0.00 H new ATOM 0 HB3 ARG A 14 11.328 -11.363 -2.713 1.00 0.00 H new ATOM 0 HG2 ARG A 14 11.567 -9.012 -3.246 1.00 0.00 H new ATOM 0 HG3 ARG A 14 9.967 -8.623 -2.648 1.00 0.00 H new ATOM 0 HD2 ARG A 14 12.240 -9.654 -0.860 1.00 0.00 H new ATOM 0 HD3 ARG A 14 11.847 -7.956 -1.051 1.00 0.00 H new ATOM 0 HE ARG A 14 9.608 -9.819 -0.241 1.00 0.00 H new ATOM 0 HH11 ARG A 14 11.903 -7.286 0.590 1.00 0.00 H new ATOM 0 HH12 ARG A 14 11.038 -6.850 2.068 1.00 0.00 H new ATOM 0 HH21 ARG A 14 8.538 -9.279 1.574 1.00 0.00 H new ATOM 0 HH22 ARG A 14 9.120 -7.986 2.628 1.00 0.00 H new ATOM 196 N ALA A 15 7.402 -10.645 -2.471 1.00 0.00 N ATOM 197 CA ALA A 15 6.124 -9.929 -2.167 1.00 0.00 C ATOM 198 C ALA A 15 5.737 -9.923 -0.686 1.00 0.00 C ATOM 199 O ALA A 15 6.298 -10.632 0.127 1.00 0.00 O ATOM 200 CB ALA A 15 4.998 -10.583 -2.984 1.00 0.00 C ATOM 0 H ALA A 15 7.615 -11.442 -1.871 1.00 0.00 H new ATOM 0 HA ALA A 15 6.276 -8.884 -2.437 1.00 0.00 H new ATOM 0 HB1 ALA A 15 4.056 -10.075 -2.777 1.00 0.00 H new ATOM 0 HB2 ALA A 15 5.227 -10.504 -4.047 1.00 0.00 H new ATOM 0 HB3 ALA A 15 4.912 -11.634 -2.708 1.00 0.00 H new ATOM 206 N GLU A 16 4.764 -9.090 -0.413 1.00 0.00 N ATOM 207 CA GLU A 16 4.213 -8.913 0.963 1.00 0.00 C ATOM 208 C GLU A 16 2.837 -8.256 0.769 1.00 0.00 C ATOM 209 O GLU A 16 2.717 -7.317 0.005 1.00 0.00 O ATOM 210 CB GLU A 16 5.160 -8.000 1.772 1.00 0.00 C ATOM 211 CG GLU A 16 4.719 -7.989 3.258 1.00 0.00 C ATOM 212 CD GLU A 16 5.691 -7.179 4.150 1.00 0.00 C ATOM 213 OE1 GLU A 16 6.865 -7.106 3.821 1.00 0.00 O ATOM 214 OE2 GLU A 16 5.188 -6.671 5.139 1.00 0.00 O ATOM 0 H GLU A 16 4.314 -8.504 -1.116 1.00 0.00 H new ATOM 0 HA GLU A 16 4.122 -9.852 1.510 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.187 -8.357 1.688 1.00 0.00 H new ATOM 0 HB3 GLU A 16 5.141 -6.988 1.368 1.00 0.00 H new ATOM 0 HG2 GLU A 16 3.718 -7.564 3.335 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.660 -9.014 3.625 1.00 0.00 H new ATOM 221 N ARG A 17 1.843 -8.758 1.456 1.00 0.00 N ATOM 222 CA ARG A 17 0.462 -8.190 1.330 1.00 0.00 C ATOM 223 C ARG A 17 0.020 -7.405 2.571 1.00 0.00 C ATOM 224 O ARG A 17 0.153 -7.873 3.685 1.00 0.00 O ATOM 225 CB ARG A 17 -0.498 -9.367 1.056 1.00 0.00 C ATOM 226 CG ARG A 17 -1.944 -8.866 0.843 1.00 0.00 C ATOM 227 CD ARG A 17 -2.834 -10.066 0.481 1.00 0.00 C ATOM 228 NE ARG A 17 -4.234 -9.571 0.312 1.00 0.00 N ATOM 229 CZ ARG A 17 -5.193 -10.349 -0.124 1.00 0.00 C ATOM 230 NH1 ARG A 17 -4.949 -11.597 -0.427 1.00 0.00 N ATOM 231 NH2 ARG A 17 -6.387 -9.839 -0.244 1.00 0.00 N ATOM 0 H ARG A 17 1.927 -9.542 2.103 1.00 0.00 H new ATOM 0 HA ARG A 17 0.449 -7.470 0.512 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -0.165 -9.914 0.174 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -0.471 -10.065 1.893 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -2.313 -8.381 1.747 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -1.972 -8.121 0.048 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -2.483 -10.537 -0.437 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -2.790 -10.823 1.264 1.00 0.00 H new ATOM 0 HE ARG A 17 -4.448 -8.601 0.543 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -4.006 -11.972 -0.324 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -5.702 -12.196 -0.766 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -6.551 -8.862 -0.001 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -7.157 -10.417 -0.581 1.00 0.00 H new ATOM 245 N TYR A 18 -0.494 -6.227 2.315 1.00 0.00 N ATOM 246 CA TYR A 18 -0.982 -5.330 3.407 1.00 0.00 C ATOM 247 C TYR A 18 -2.511 -5.263 3.320 1.00 0.00 C ATOM 248 O TYR A 18 -3.080 -4.316 2.814 1.00 0.00 O ATOM 249 CB TYR A 18 -0.370 -3.921 3.229 1.00 0.00 C ATOM 250 CG TYR A 18 1.155 -3.967 3.416 1.00 0.00 C ATOM 251 CD1 TYR A 18 1.710 -4.391 4.610 1.00 0.00 C ATOM 252 CD2 TYR A 18 1.998 -3.581 2.393 1.00 0.00 C ATOM 253 CE1 TYR A 18 3.078 -4.427 4.776 1.00 0.00 C ATOM 254 CE2 TYR A 18 3.363 -3.619 2.564 1.00 0.00 C ATOM 255 CZ TYR A 18 3.916 -4.041 3.753 1.00 0.00 C ATOM 256 OH TYR A 18 5.288 -4.079 3.911 1.00 0.00 O ATOM 0 H TYR A 18 -0.598 -5.843 1.376 1.00 0.00 H new ATOM 0 HA TYR A 18 -0.684 -5.714 4.383 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -0.609 -3.537 2.237 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -0.810 -3.233 3.951 1.00 0.00 H new ATOM 0 HD1 TYR A 18 1.065 -4.697 5.420 1.00 0.00 H new ATOM 0 HD2 TYR A 18 1.584 -3.247 1.453 1.00 0.00 H new ATOM 0 HE1 TYR A 18 3.496 -4.760 5.715 1.00 0.00 H new ATOM 0 HE2 TYR A 18 4.010 -3.314 1.755 1.00 0.00 H new ATOM 0 HH TYR A 18 5.514 -4.656 4.670 1.00 0.00 H new ATOM 266 N SER A 19 -3.123 -6.304 3.825 1.00 0.00 N ATOM 267 CA SER A 19 -4.616 -6.415 3.831 1.00 0.00 C ATOM 268 C SER A 19 -5.140 -6.437 5.274 1.00 0.00 C ATOM 269 O SER A 19 -6.334 -6.370 5.498 1.00 0.00 O ATOM 270 CB SER A 19 -5.009 -7.708 3.094 1.00 0.00 C ATOM 271 OG SER A 19 -4.359 -8.762 3.793 1.00 0.00 O ATOM 0 H SER A 19 -2.641 -7.100 4.243 1.00 0.00 H new ATOM 0 HA SER A 19 -5.058 -5.555 3.327 1.00 0.00 H new ATOM 0 HB2 SER A 19 -6.090 -7.846 3.095 1.00 0.00 H new ATOM 0 HB3 SER A 19 -4.693 -7.676 2.051 1.00 0.00 H new ATOM 0 HG SER A 19 -4.575 -9.618 3.368 1.00 0.00 H new ATOM 277 N LYS A 20 -4.223 -6.527 6.205 1.00 0.00 N ATOM 278 CA LYS A 20 -4.589 -6.556 7.653 1.00 0.00 C ATOM 279 C LYS A 20 -5.229 -5.224 8.072 1.00 0.00 C ATOM 280 O LYS A 20 -4.799 -4.162 7.662 1.00 0.00 O ATOM 281 CB LYS A 20 -3.310 -6.819 8.481 1.00 0.00 C ATOM 282 CG LYS A 20 -3.647 -6.833 9.995 1.00 0.00 C ATOM 283 CD LYS A 20 -2.378 -7.167 10.806 1.00 0.00 C ATOM 284 CE LYS A 20 -2.686 -7.062 12.312 1.00 0.00 C ATOM 285 NZ LYS A 20 -3.783 -7.999 12.688 1.00 0.00 N ATOM 0 H LYS A 20 -3.222 -6.582 6.019 1.00 0.00 H new ATOM 0 HA LYS A 20 -5.315 -7.349 7.831 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -2.869 -7.772 8.190 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -2.568 -6.048 8.273 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -4.040 -5.863 10.299 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -4.424 -7.570 10.198 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -2.033 -8.172 10.564 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -1.573 -6.482 10.540 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -1.790 -7.291 12.889 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -2.972 -6.040 12.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -3.819 -8.093 13.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -4.691 -7.627 12.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -3.605 -8.931 12.261 1.00 0.00 H new ATOM 299 N CYS A 21 -6.245 -5.349 8.885 1.00 0.00 N ATOM 300 CA CYS A 21 -6.998 -4.174 9.406 1.00 0.00 C ATOM 301 C CYS A 21 -6.096 -3.222 10.211 1.00 0.00 C ATOM 302 O CYS A 21 -5.741 -3.519 11.335 1.00 0.00 O ATOM 303 CB CYS A 21 -8.139 -4.722 10.276 1.00 0.00 C ATOM 304 SG CYS A 21 -9.465 -5.613 9.428 1.00 0.00 S ATOM 0 H CYS A 21 -6.593 -6.248 9.219 1.00 0.00 H new ATOM 0 HA CYS A 21 -7.389 -3.584 8.577 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -7.706 -5.389 11.021 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -8.584 -3.886 10.816 1.00 0.00 H new ATOM 309 N GLY A 22 -5.756 -2.111 9.601 1.00 0.00 N ATOM 310 CA GLY A 22 -4.885 -1.099 10.277 1.00 0.00 C ATOM 311 C GLY A 22 -3.774 -0.561 9.371 1.00 0.00 C ATOM 312 O GLY A 22 -3.677 -0.903 8.208 1.00 0.00 O ATOM 0 H GLY A 22 -6.048 -1.861 8.656 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -5.502 -0.268 10.618 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -4.437 -1.548 11.163 1.00 0.00 H new ATOM 316 N CYS A 23 -2.968 0.281 9.968 1.00 0.00 N ATOM 317 CA CYS A 23 -1.818 0.923 9.261 1.00 0.00 C ATOM 318 C CYS A 23 -0.661 -0.077 9.129 1.00 0.00 C ATOM 319 O CYS A 23 -0.427 -0.865 10.026 1.00 0.00 O ATOM 320 CB CYS A 23 -1.393 2.150 10.076 1.00 0.00 C ATOM 321 SG CYS A 23 -2.721 3.310 10.484 1.00 0.00 S ATOM 0 H CYS A 23 -3.063 0.558 10.945 1.00 0.00 H new ATOM 0 HA CYS A 23 -2.105 1.230 8.255 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -0.935 1.808 11.004 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -0.624 2.686 9.520 1.00 0.00 H new ATOM 326 N SER A 24 0.025 -0.010 8.015 1.00 0.00 N ATOM 327 CA SER A 24 1.177 -0.932 7.766 1.00 0.00 C ATOM 328 C SER A 24 2.245 -0.241 6.910 1.00 0.00 C ATOM 329 O SER A 24 1.952 0.268 5.847 1.00 0.00 O ATOM 330 CB SER A 24 0.654 -2.198 7.054 1.00 0.00 C ATOM 331 OG SER A 24 0.038 -1.735 5.858 1.00 0.00 O ATOM 0 H SER A 24 -0.165 0.650 7.261 1.00 0.00 H new ATOM 0 HA SER A 24 1.636 -1.207 8.716 1.00 0.00 H new ATOM 0 HB2 SER A 24 1.468 -2.889 6.834 1.00 0.00 H new ATOM 0 HB3 SER A 24 -0.059 -2.734 7.680 1.00 0.00 H new ATOM 0 HG SER A 24 0.448 -0.888 5.585 1.00 0.00 H new ATOM 337 N ALA A 25 3.457 -0.256 7.408 1.00 0.00 N ATOM 338 CA ALA A 25 4.597 0.382 6.683 1.00 0.00 C ATOM 339 C ALA A 25 5.116 -0.519 5.555 1.00 0.00 C ATOM 340 O ALA A 25 5.559 -1.628 5.783 1.00 0.00 O ATOM 341 CB ALA A 25 5.717 0.667 7.691 1.00 0.00 C ATOM 0 H ALA A 25 3.707 -0.689 8.297 1.00 0.00 H new ATOM 0 HA ALA A 25 4.254 1.311 6.226 1.00 0.00 H new ATOM 0 HB1 ALA A 25 6.558 1.133 7.178 1.00 0.00 H new ATOM 0 HB2 ALA A 25 5.347 1.338 8.466 1.00 0.00 H new ATOM 0 HB3 ALA A 25 6.043 -0.268 8.147 1.00 0.00 H new ATOM 347 N ILE A 26 5.032 0.014 4.363 1.00 0.00 N ATOM 348 CA ILE A 26 5.488 -0.707 3.139 1.00 0.00 C ATOM 349 C ILE A 26 7.014 -0.602 3.023 1.00 0.00 C ATOM 350 O ILE A 26 7.553 0.476 2.852 1.00 0.00 O ATOM 351 CB ILE A 26 4.789 -0.062 1.919 1.00 0.00 C ATOM 352 CG1 ILE A 26 3.240 -0.179 2.076 1.00 0.00 C ATOM 353 CG2 ILE A 26 5.244 -0.764 0.616 1.00 0.00 C ATOM 354 CD1 ILE A 26 2.610 1.219 1.981 1.00 0.00 C ATOM 0 H ILE A 26 4.656 0.945 4.184 1.00 0.00 H new ATOM 0 HA ILE A 26 5.229 -1.765 3.187 1.00 0.00 H new ATOM 0 HB ILE A 26 5.064 0.991 1.866 1.00 0.00 H new ATOM 0 HG12 ILE A 26 2.833 -0.827 1.300 1.00 0.00 H new ATOM 0 HG13 ILE A 26 2.994 -0.636 3.034 1.00 0.00 H new ATOM 0 HG21 ILE A 26 4.747 -0.304 -0.238 1.00 0.00 H new ATOM 0 HG22 ILE A 26 6.324 -0.662 0.506 1.00 0.00 H new ATOM 0 HG23 ILE A 26 4.982 -1.821 0.662 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.528 1.139 2.090 1.00 0.00 H new ATOM 0 HD12 ILE A 26 3.009 1.852 2.773 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.845 1.659 1.012 1.00 0.00 H new ATOM 366 N HIS A 27 7.655 -1.739 3.122 1.00 0.00 N ATOM 367 CA HIS A 27 9.147 -1.805 3.031 1.00 0.00 C ATOM 368 C HIS A 27 9.590 -2.135 1.595 1.00 0.00 C ATOM 369 O HIS A 27 10.659 -1.737 1.171 1.00 0.00 O ATOM 370 CB HIS A 27 9.625 -2.882 4.024 1.00 0.00 C ATOM 371 CG HIS A 27 11.143 -3.060 3.919 1.00 0.00 C ATOM 372 ND1 HIS A 27 12.019 -2.162 4.228 1.00 0.00 N ATOM 373 CD2 HIS A 27 11.895 -4.142 3.497 1.00 0.00 C ATOM 374 CE1 HIS A 27 13.210 -2.628 4.023 1.00 0.00 C ATOM 375 NE2 HIS A 27 13.180 -3.856 3.568 1.00 0.00 N ATOM 0 H HIS A 27 7.200 -2.641 3.265 1.00 0.00 H new ATOM 0 HA HIS A 27 9.589 -0.841 3.284 1.00 0.00 H new ATOM 0 HB2 HIS A 27 9.354 -2.596 5.040 1.00 0.00 H new ATOM 0 HB3 HIS A 27 9.125 -3.828 3.815 1.00 0.00 H new ATOM 0 HD2 HIS A 27 11.489 -5.084 3.159 1.00 0.00 H new ATOM 0 HE1 HIS A 27 14.118 -2.072 4.205 1.00 0.00 H new ATOM 0 HE2 HIS A 27 13.970 -4.454 3.324 1.00 0.00 H new ATOM 383 N GLN A 28 8.750 -2.855 0.895 1.00 0.00 N ATOM 384 CA GLN A 28 9.051 -3.251 -0.516 1.00 0.00 C ATOM 385 C GLN A 28 8.795 -2.062 -1.449 1.00 0.00 C ATOM 386 O GLN A 28 7.685 -1.825 -1.880 1.00 0.00 O ATOM 387 CB GLN A 28 8.153 -4.427 -0.899 1.00 0.00 C ATOM 388 CG GLN A 28 8.510 -5.681 -0.083 1.00 0.00 C ATOM 389 CD GLN A 28 8.089 -5.519 1.385 1.00 0.00 C ATOM 390 OE1 GLN A 28 8.977 -5.708 2.321 1.00 0.00 O flip ATOM 391 NE2 GLN A 28 6.953 -5.219 1.694 1.00 0.00 N flip ATOM 0 H GLN A 28 7.854 -3.191 1.247 1.00 0.00 H new ATOM 0 HA GLN A 28 10.096 -3.547 -0.608 1.00 0.00 H new ATOM 0 HB2 GLN A 28 7.109 -4.163 -0.729 1.00 0.00 H new ATOM 0 HB3 GLN A 28 8.259 -4.639 -1.963 1.00 0.00 H new ATOM 0 HG2 GLN A 28 8.016 -6.552 -0.513 1.00 0.00 H new ATOM 0 HG3 GLN A 28 9.583 -5.863 -0.140 1.00 0.00 H new ATOM 0 HE21 GLN A 28 6.250 -5.069 0.970 1.00 0.00 H new ATOM 0 HE22 GLN A 28 6.702 -5.117 2.677 1.00 0.00 H new ATOM 400 N LYS A 29 9.863 -1.362 -1.723 1.00 0.00 N ATOM 401 CA LYS A 29 9.832 -0.158 -2.606 1.00 0.00 C ATOM 402 C LYS A 29 9.834 -0.432 -4.131 1.00 0.00 C ATOM 403 O LYS A 29 10.488 0.272 -4.878 1.00 0.00 O ATOM 404 CB LYS A 29 11.046 0.708 -2.197 1.00 0.00 C ATOM 405 CG LYS A 29 12.380 -0.077 -2.378 1.00 0.00 C ATOM 406 CD LYS A 29 13.593 0.813 -2.013 1.00 0.00 C ATOM 407 CE LYS A 29 13.763 1.956 -3.037 1.00 0.00 C ATOM 408 NZ LYS A 29 14.961 2.770 -2.688 1.00 0.00 N ATOM 0 H LYS A 29 10.789 -1.584 -1.358 1.00 0.00 H new ATOM 0 HA LYS A 29 8.876 0.343 -2.454 1.00 0.00 H new ATOM 0 HB2 LYS A 29 11.069 1.615 -2.800 1.00 0.00 H new ATOM 0 HB3 LYS A 29 10.941 1.019 -1.158 1.00 0.00 H new ATOM 0 HG2 LYS A 29 12.373 -0.966 -1.748 1.00 0.00 H new ATOM 0 HG3 LYS A 29 12.470 -0.418 -3.409 1.00 0.00 H new ATOM 0 HD2 LYS A 29 13.456 1.230 -1.015 1.00 0.00 H new ATOM 0 HD3 LYS A 29 14.499 0.207 -1.984 1.00 0.00 H new ATOM 0 HE2 LYS A 29 13.871 1.545 -4.041 1.00 0.00 H new ATOM 0 HE3 LYS A 29 12.873 2.586 -3.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 15.072 3.539 -3.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 14.841 3.174 -1.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 15.807 2.166 -2.703 1.00 0.00 H new ATOM 422 N GLY A 30 9.107 -1.434 -4.559 1.00 0.00 N ATOM 423 CA GLY A 30 9.048 -1.771 -6.021 1.00 0.00 C ATOM 424 C GLY A 30 7.671 -1.450 -6.593 1.00 0.00 C ATOM 425 O GLY A 30 7.359 -0.302 -6.838 1.00 0.00 O ATOM 0 H GLY A 30 8.547 -2.038 -3.957 1.00 0.00 H new ATOM 0 HA2 GLY A 30 9.811 -1.209 -6.560 1.00 0.00 H new ATOM 0 HA3 GLY A 30 9.270 -2.829 -6.165 1.00 0.00 H new ATOM 429 N GLY A 31 6.898 -2.487 -6.785 1.00 0.00 N ATOM 430 CA GLY A 31 5.517 -2.334 -7.340 1.00 0.00 C ATOM 431 C GLY A 31 4.506 -2.416 -6.199 1.00 0.00 C ATOM 432 O GLY A 31 4.843 -2.843 -5.111 1.00 0.00 O ATOM 0 H GLY A 31 7.168 -3.449 -6.578 1.00 0.00 H new ATOM 0 HA2 GLY A 31 5.424 -1.379 -7.857 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.319 -3.115 -8.074 1.00 0.00 H new ATOM 436 N TYR A 32 3.296 -2.001 -6.479 1.00 0.00 N ATOM 437 CA TYR A 32 2.227 -2.039 -5.433 1.00 0.00 C ATOM 438 C TYR A 32 0.858 -2.222 -6.110 1.00 0.00 C ATOM 439 O TYR A 32 0.466 -1.404 -6.916 1.00 0.00 O ATOM 440 CB TYR A 32 2.209 -0.720 -4.631 1.00 0.00 C ATOM 441 CG TYR A 32 3.622 -0.144 -4.416 1.00 0.00 C ATOM 442 CD1 TYR A 32 4.162 0.684 -5.378 1.00 0.00 C ATOM 443 CD2 TYR A 32 4.376 -0.429 -3.294 1.00 0.00 C ATOM 444 CE1 TYR A 32 5.422 1.207 -5.219 1.00 0.00 C ATOM 445 CE2 TYR A 32 5.639 0.099 -3.142 1.00 0.00 C ATOM 446 CZ TYR A 32 6.172 0.922 -4.106 1.00 0.00 C ATOM 447 OH TYR A 32 7.436 1.458 -3.975 1.00 0.00 O ATOM 0 H TYR A 32 3.002 -1.638 -7.386 1.00 0.00 H new ATOM 0 HA TYR A 32 2.431 -2.869 -4.757 1.00 0.00 H new ATOM 0 HB2 TYR A 32 1.597 0.013 -5.156 1.00 0.00 H new ATOM 0 HB3 TYR A 32 1.739 -0.893 -3.663 1.00 0.00 H new ATOM 0 HD1 TYR A 32 3.590 0.923 -6.262 1.00 0.00 H new ATOM 0 HD2 TYR A 32 3.971 -1.073 -2.528 1.00 0.00 H new ATOM 0 HE1 TYR A 32 5.829 1.853 -5.983 1.00 0.00 H new ATOM 0 HE2 TYR A 32 6.215 -0.135 -2.259 1.00 0.00 H new ATOM 0 HH TYR A 32 7.426 2.154 -3.285 1.00 0.00 H new ATOM 457 N ASP A 33 0.169 -3.282 -5.772 1.00 0.00 N ATOM 458 CA ASP A 33 -1.174 -3.557 -6.370 1.00 0.00 C ATOM 459 C ASP A 33 -2.269 -3.491 -5.302 1.00 0.00 C ATOM 460 O ASP A 33 -2.377 -4.383 -4.480 1.00 0.00 O ATOM 461 CB ASP A 33 -1.194 -4.968 -7.005 1.00 0.00 C ATOM 462 CG ASP A 33 -0.315 -5.095 -8.273 1.00 0.00 C ATOM 463 OD1 ASP A 33 0.597 -4.302 -8.438 1.00 0.00 O ATOM 464 OD2 ASP A 33 -0.616 -6.007 -9.026 1.00 0.00 O ATOM 0 H ASP A 33 0.484 -3.979 -5.097 1.00 0.00 H new ATOM 0 HA ASP A 33 -1.362 -2.799 -7.130 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -0.856 -5.694 -6.266 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -2.222 -5.227 -7.259 1.00 0.00 H new ATOM 469 N PHE A 34 -3.050 -2.441 -5.337 1.00 0.00 N ATOM 470 CA PHE A 34 -4.148 -2.304 -4.334 1.00 0.00 C ATOM 471 C PHE A 34 -5.330 -3.155 -4.806 1.00 0.00 C ATOM 472 O PHE A 34 -5.438 -3.456 -5.980 1.00 0.00 O ATOM 473 CB PHE A 34 -4.600 -0.836 -4.223 1.00 0.00 C ATOM 474 CG PHE A 34 -5.643 -0.745 -3.090 1.00 0.00 C ATOM 475 CD1 PHE A 34 -5.237 -0.876 -1.775 1.00 0.00 C ATOM 476 CD2 PHE A 34 -6.986 -0.542 -3.358 1.00 0.00 C ATOM 477 CE1 PHE A 34 -6.148 -0.806 -0.748 1.00 0.00 C ATOM 478 CE2 PHE A 34 -7.901 -0.470 -2.327 1.00 0.00 C ATOM 479 CZ PHE A 34 -7.482 -0.603 -1.022 1.00 0.00 C ATOM 0 H PHE A 34 -2.976 -1.679 -6.011 1.00 0.00 H new ATOM 0 HA PHE A 34 -3.793 -2.633 -3.357 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -3.748 -0.190 -4.010 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -5.030 -0.497 -5.165 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -4.192 -1.035 -1.552 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -7.320 -0.439 -4.380 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -5.817 -0.910 0.275 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -8.947 -0.309 -2.544 1.00 0.00 H new ATOM 0 HZ PHE A 34 -8.198 -0.548 -0.215 1.00 0.00 H new ATOM 489 N SER A 35 -6.172 -3.516 -3.870 1.00 0.00 N ATOM 490 CA SER A 35 -7.368 -4.340 -4.204 1.00 0.00 C ATOM 491 C SER A 35 -8.500 -3.964 -3.248 1.00 0.00 C ATOM 492 O SER A 35 -8.478 -4.261 -2.069 1.00 0.00 O ATOM 493 CB SER A 35 -7.002 -5.832 -4.070 1.00 0.00 C ATOM 494 OG SER A 35 -8.196 -6.525 -4.411 1.00 0.00 O ATOM 0 H SER A 35 -6.079 -3.272 -2.884 1.00 0.00 H new ATOM 0 HA SER A 35 -7.695 -4.156 -5.227 1.00 0.00 H new ATOM 0 HB2 SER A 35 -6.183 -6.101 -4.737 1.00 0.00 H new ATOM 0 HB3 SER A 35 -6.680 -6.072 -3.057 1.00 0.00 H new ATOM 0 HG SER A 35 -8.042 -7.491 -4.350 1.00 0.00 H new ATOM 500 N TYR A 36 -9.456 -3.301 -3.842 1.00 0.00 N ATOM 501 CA TYR A 36 -10.667 -2.822 -3.121 1.00 0.00 C ATOM 502 C TYR A 36 -11.720 -3.939 -3.034 1.00 0.00 C ATOM 503 O TYR A 36 -11.777 -4.812 -3.877 1.00 0.00 O ATOM 504 CB TYR A 36 -11.197 -1.623 -3.899 1.00 0.00 C ATOM 505 CG TYR A 36 -12.430 -1.006 -3.224 1.00 0.00 C ATOM 506 CD1 TYR A 36 -12.281 -0.204 -2.113 1.00 0.00 C ATOM 507 CD2 TYR A 36 -13.700 -1.238 -3.716 1.00 0.00 C ATOM 508 CE1 TYR A 36 -13.378 0.361 -1.503 1.00 0.00 C ATOM 509 CE2 TYR A 36 -14.799 -0.671 -3.105 1.00 0.00 C ATOM 510 CZ TYR A 36 -14.643 0.132 -1.994 1.00 0.00 C ATOM 511 OH TYR A 36 -15.740 0.701 -1.382 1.00 0.00 O ATOM 0 H TYR A 36 -9.444 -3.065 -4.834 1.00 0.00 H new ATOM 0 HA TYR A 36 -10.428 -2.536 -2.097 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -10.414 -0.870 -3.984 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -11.454 -1.932 -4.912 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -11.294 -0.017 -1.717 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -13.833 -1.867 -4.584 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -13.245 0.988 -0.634 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -15.787 -0.857 -3.499 1.00 0.00 H new ATOM 0 HH TYR A 36 -15.605 0.710 -0.411 1.00 0.00 H new ATOM 521 N THR A 37 -12.517 -3.855 -2.001 1.00 0.00 N ATOM 522 CA THR A 37 -13.606 -4.849 -1.748 1.00 0.00 C ATOM 523 C THR A 37 -14.504 -4.248 -0.655 1.00 0.00 C ATOM 524 O THR A 37 -14.796 -4.852 0.360 1.00 0.00 O ATOM 525 CB THR A 37 -12.939 -6.202 -1.311 1.00 0.00 C ATOM 526 OG1 THR A 37 -14.008 -7.066 -0.947 1.00 0.00 O ATOM 527 CG2 THR A 37 -12.061 -6.067 -0.053 1.00 0.00 C ATOM 0 H THR A 37 -12.457 -3.116 -1.300 1.00 0.00 H new ATOM 0 HA THR A 37 -14.215 -5.057 -2.627 1.00 0.00 H new ATOM 0 HB THR A 37 -12.313 -6.554 -2.131 1.00 0.00 H new ATOM 0 HG1 THR A 37 -14.481 -6.693 -0.174 1.00 0.00 H new ATOM 0 HG21 THR A 37 -11.630 -7.037 0.196 1.00 0.00 H new ATOM 0 HG22 THR A 37 -11.261 -5.352 -0.243 1.00 0.00 H new ATOM 0 HG23 THR A 37 -12.670 -5.717 0.780 1.00 0.00 H new ATOM 535 N GLY A 38 -14.918 -3.035 -0.924 1.00 0.00 N ATOM 536 CA GLY A 38 -15.787 -2.276 -0.001 1.00 0.00 C ATOM 537 C GLY A 38 -14.921 -1.435 0.946 1.00 0.00 C ATOM 538 O GLY A 38 -15.315 -0.363 1.362 1.00 0.00 O ATOM 0 H GLY A 38 -14.675 -2.531 -1.777 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -16.459 -1.630 -0.566 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -16.411 -2.961 0.573 1.00 0.00 H new ATOM 542 N GLN A 39 -13.761 -1.962 1.250 1.00 0.00 N ATOM 543 CA GLN A 39 -12.797 -1.272 2.159 1.00 0.00 C ATOM 544 C GLN A 39 -11.791 -0.448 1.357 1.00 0.00 C ATOM 545 O GLN A 39 -11.118 -0.949 0.477 1.00 0.00 O ATOM 546 CB GLN A 39 -12.066 -2.329 2.997 1.00 0.00 C ATOM 547 CG GLN A 39 -12.984 -2.860 4.107 1.00 0.00 C ATOM 548 CD GLN A 39 -14.201 -3.578 3.531 1.00 0.00 C ATOM 549 OE1 GLN A 39 -15.311 -3.083 3.540 1.00 0.00 O ATOM 550 NE2 GLN A 39 -14.014 -4.757 3.016 1.00 0.00 N ATOM 0 H GLN A 39 -13.436 -2.862 0.897 1.00 0.00 H new ATOM 0 HA GLN A 39 -13.342 -0.591 2.813 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -11.745 -3.151 2.357 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -11.167 -1.896 3.436 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -12.426 -3.544 4.746 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -13.312 -2.032 4.736 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -13.081 -5.169 3.010 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -14.800 -5.270 2.618 1.00 0.00 H new ATOM 559 N THR A 40 -11.742 0.806 1.720 1.00 0.00 N ATOM 560 CA THR A 40 -10.832 1.807 1.073 1.00 0.00 C ATOM 561 C THR A 40 -9.459 1.751 1.777 1.00 0.00 C ATOM 562 O THR A 40 -9.204 0.865 2.569 1.00 0.00 O ATOM 563 CB THR A 40 -11.523 3.203 1.219 1.00 0.00 C ATOM 564 OG1 THR A 40 -12.846 2.993 0.743 1.00 0.00 O ATOM 565 CG2 THR A 40 -11.008 4.292 0.247 1.00 0.00 C ATOM 0 H THR A 40 -12.317 1.195 2.467 1.00 0.00 H new ATOM 0 HA THR A 40 -10.660 1.604 0.016 1.00 0.00 H new ATOM 0 HB THR A 40 -11.371 3.531 2.247 1.00 0.00 H new ATOM 0 HG1 THR A 40 -13.352 3.830 0.803 1.00 0.00 H new ATOM 0 HG21 THR A 40 -11.547 5.223 0.425 1.00 0.00 H new ATOM 0 HG22 THR A 40 -9.943 4.452 0.412 1.00 0.00 H new ATOM 0 HG23 THR A 40 -11.171 3.969 -0.781 1.00 0.00 H new ATOM 573 N ALA A 41 -8.607 2.692 1.465 1.00 0.00 N ATOM 574 CA ALA A 41 -7.249 2.754 2.082 1.00 0.00 C ATOM 575 C ALA A 41 -6.691 4.169 1.922 1.00 0.00 C ATOM 576 O ALA A 41 -7.034 4.854 0.979 1.00 0.00 O ATOM 577 CB ALA A 41 -6.318 1.761 1.386 1.00 0.00 C ATOM 0 H ALA A 41 -8.800 3.436 0.794 1.00 0.00 H new ATOM 0 HA ALA A 41 -7.319 2.500 3.140 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -5.328 1.810 1.840 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -6.716 0.752 1.493 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.244 2.012 0.328 1.00 0.00 H new ATOM 583 N ALA A 42 -5.853 4.557 2.851 1.00 0.00 N ATOM 584 CA ALA A 42 -5.224 5.917 2.822 1.00 0.00 C ATOM 585 C ALA A 42 -3.707 5.727 2.848 1.00 0.00 C ATOM 586 O ALA A 42 -3.231 4.739 3.365 1.00 0.00 O ATOM 587 CB ALA A 42 -5.688 6.712 4.046 1.00 0.00 C ATOM 0 H ALA A 42 -5.572 3.979 3.643 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.513 6.467 1.926 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -5.233 7.703 4.030 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -6.773 6.810 4.026 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.388 6.190 4.954 1.00 0.00 H new ATOM 593 N LEU A 43 -2.985 6.668 2.297 1.00 0.00 N ATOM 594 CA LEU A 43 -1.492 6.588 2.254 1.00 0.00 C ATOM 595 C LEU A 43 -0.853 7.727 3.036 1.00 0.00 C ATOM 596 O LEU A 43 -1.104 8.885 2.768 1.00 0.00 O ATOM 597 CB LEU A 43 -0.973 6.673 0.796 1.00 0.00 C ATOM 598 CG LEU A 43 -1.057 5.357 -0.031 1.00 0.00 C ATOM 599 CD1 LEU A 43 -0.226 4.238 0.624 1.00 0.00 C ATOM 600 CD2 LEU A 43 -2.494 4.885 -0.221 1.00 0.00 C ATOM 0 H LEU A 43 -3.375 7.506 1.866 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.220 5.631 2.699 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.538 7.445 0.274 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.067 7.000 0.819 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.644 5.582 -1.014 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.303 3.330 0.026 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.818 4.547 0.683 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.604 4.044 1.628 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -2.500 3.964 -0.804 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -2.948 4.702 0.753 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -3.062 5.652 -0.748 1.00 0.00 H new ATOM 612 N TYR A 44 -0.038 7.335 3.976 1.00 0.00 N ATOM 613 CA TYR A 44 0.686 8.301 4.849 1.00 0.00 C ATOM 614 C TYR A 44 2.184 8.165 4.584 1.00 0.00 C ATOM 615 O TYR A 44 2.721 7.075 4.619 1.00 0.00 O ATOM 616 CB TYR A 44 0.353 7.966 6.300 1.00 0.00 C ATOM 617 CG TYR A 44 -1.132 8.273 6.549 1.00 0.00 C ATOM 618 CD1 TYR A 44 -1.525 9.547 6.901 1.00 0.00 C ATOM 619 CD2 TYR A 44 -2.093 7.289 6.421 1.00 0.00 C ATOM 620 CE1 TYR A 44 -2.854 9.840 7.121 1.00 0.00 C ATOM 621 CE2 TYR A 44 -3.423 7.581 6.641 1.00 0.00 C ATOM 622 CZ TYR A 44 -3.813 8.857 6.992 1.00 0.00 C ATOM 623 OH TYR A 44 -5.144 9.150 7.209 1.00 0.00 O ATOM 0 H TYR A 44 0.161 6.356 4.181 1.00 0.00 H new ATOM 0 HA TYR A 44 0.389 9.329 4.643 1.00 0.00 H new ATOM 0 HB2 TYR A 44 0.561 6.915 6.502 1.00 0.00 H new ATOM 0 HB3 TYR A 44 0.978 8.550 6.976 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -0.783 10.325 7.006 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -1.801 6.286 6.147 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -3.145 10.843 7.395 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -4.166 6.804 6.538 1.00 0.00 H new ATOM 0 HH TYR A 44 -5.683 8.343 7.074 1.00 0.00 H new ATOM 633 N ASN A 45 2.817 9.283 4.328 1.00 0.00 N ATOM 634 CA ASN A 45 4.284 9.299 4.052 1.00 0.00 C ATOM 635 C ASN A 45 5.115 9.071 5.330 1.00 0.00 C ATOM 636 O ASN A 45 6.311 9.287 5.339 1.00 0.00 O ATOM 637 CB ASN A 45 4.608 10.656 3.415 1.00 0.00 C ATOM 638 CG ASN A 45 3.935 10.732 2.040 1.00 0.00 C ATOM 639 OD1 ASN A 45 2.690 11.105 1.977 1.00 0.00 O flip ATOM 640 ND2 ASN A 45 4.531 10.453 1.019 1.00 0.00 N flip ATOM 0 H ASN A 45 2.370 10.199 4.299 1.00 0.00 H new ATOM 0 HA ASN A 45 4.545 8.482 3.379 1.00 0.00 H new ATOM 0 HB2 ASN A 45 4.255 11.466 4.053 1.00 0.00 H new ATOM 0 HB3 ASN A 45 5.687 10.777 3.314 1.00 0.00 H new ATOM 0 HD21 ASN A 45 5.507 10.160 1.062 1.00 0.00 H new ATOM 0 HD22 ASN A 45 4.055 10.512 0.119 1.00 0.00 H new ATOM 647 N GLN A 46 4.441 8.637 6.367 1.00 0.00 N ATOM 648 CA GLN A 46 5.094 8.362 7.680 1.00 0.00 C ATOM 649 C GLN A 46 4.571 6.998 8.149 1.00 0.00 C ATOM 650 O GLN A 46 3.375 6.783 8.203 1.00 0.00 O ATOM 651 CB GLN A 46 4.696 9.426 8.704 1.00 0.00 C ATOM 652 CG GLN A 46 4.871 10.863 8.167 1.00 0.00 C ATOM 653 CD GLN A 46 6.302 11.169 7.724 1.00 0.00 C ATOM 654 OE1 GLN A 46 7.273 10.627 8.215 1.00 0.00 O ATOM 655 NE2 GLN A 46 6.453 12.055 6.780 1.00 0.00 N ATOM 0 H GLN A 46 3.437 8.458 6.354 1.00 0.00 H new ATOM 0 HA GLN A 46 6.179 8.371 7.581 1.00 0.00 H new ATOM 0 HB2 GLN A 46 3.656 9.275 8.994 1.00 0.00 H new ATOM 0 HB3 GLN A 46 5.299 9.302 9.604 1.00 0.00 H new ATOM 0 HG2 GLN A 46 4.196 11.014 7.324 1.00 0.00 H new ATOM 0 HG3 GLN A 46 4.578 11.572 8.941 1.00 0.00 H new ATOM 0 HE21 GLN A 46 5.636 12.508 6.370 1.00 0.00 H new ATOM 0 HE22 GLN A 46 7.388 12.295 6.451 1.00 0.00 H new ATOM 664 N ALA A 47 5.495 6.128 8.468 1.00 0.00 N ATOM 665 CA ALA A 47 5.159 4.747 8.945 1.00 0.00 C ATOM 666 C ALA A 47 4.008 4.696 9.969 1.00 0.00 C ATOM 667 O ALA A 47 3.922 5.527 10.853 1.00 0.00 O ATOM 668 CB ALA A 47 6.416 4.130 9.571 1.00 0.00 C ATOM 0 H ALA A 47 6.495 6.321 8.417 1.00 0.00 H new ATOM 0 HA ALA A 47 4.817 4.187 8.075 1.00 0.00 H new ATOM 0 HB1 ALA A 47 6.190 3.124 9.924 1.00 0.00 H new ATOM 0 HB2 ALA A 47 7.209 4.083 8.824 1.00 0.00 H new ATOM 0 HB3 ALA A 47 6.744 4.744 10.410 1.00 0.00 H new ATOM 674 N GLY A 48 3.162 3.710 9.801 1.00 0.00 N ATOM 675 CA GLY A 48 1.988 3.510 10.708 1.00 0.00 C ATOM 676 C GLY A 48 1.085 4.746 10.834 1.00 0.00 C ATOM 677 O GLY A 48 0.773 5.160 11.934 1.00 0.00 O ATOM 0 H GLY A 48 3.238 3.019 9.055 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.394 2.674 10.339 1.00 0.00 H new ATOM 0 HA3 GLY A 48 2.349 3.233 11.698 1.00 0.00 H new ATOM 681 N CYS A 49 0.697 5.291 9.705 1.00 0.00 N ATOM 682 CA CYS A 49 -0.189 6.505 9.669 1.00 0.00 C ATOM 683 C CYS A 49 0.303 7.666 10.566 1.00 0.00 C ATOM 684 O CYS A 49 -0.482 8.505 10.967 1.00 0.00 O ATOM 685 CB CYS A 49 -1.616 6.110 10.114 1.00 0.00 C ATOM 686 SG CYS A 49 -2.511 4.843 9.186 1.00 0.00 S ATOM 0 H CYS A 49 0.962 4.939 8.785 1.00 0.00 H new ATOM 0 HA CYS A 49 -0.171 6.866 8.641 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -1.556 5.777 11.150 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -2.224 7.014 10.105 1.00 0.00 H new ATOM 691 N SER A 50 1.580 7.691 10.857 1.00 0.00 N ATOM 692 CA SER A 50 2.145 8.778 11.724 1.00 0.00 C ATOM 693 C SER A 50 2.475 10.051 10.928 1.00 0.00 C ATOM 694 O SER A 50 3.488 10.691 11.146 1.00 0.00 O ATOM 695 CB SER A 50 3.411 8.224 12.411 1.00 0.00 C ATOM 696 OG SER A 50 2.959 7.070 13.107 1.00 0.00 O ATOM 0 H SER A 50 2.260 7.004 10.531 1.00 0.00 H new ATOM 0 HA SER A 50 1.397 9.068 12.462 1.00 0.00 H new ATOM 0 HB2 SER A 50 4.181 7.972 11.682 1.00 0.00 H new ATOM 0 HB3 SER A 50 3.845 8.955 13.093 1.00 0.00 H new ATOM 0 HG SER A 50 3.159 6.270 12.578 1.00 0.00 H new ATOM 702 N GLY A 51 1.590 10.377 10.020 1.00 0.00 N ATOM 703 CA GLY A 51 1.765 11.584 9.157 1.00 0.00 C ATOM 704 C GLY A 51 0.422 12.085 8.627 1.00 0.00 C ATOM 705 O GLY A 51 -0.600 11.930 9.267 1.00 0.00 O ATOM 0 H GLY A 51 0.738 9.847 9.838 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.251 12.375 9.728 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.422 11.344 8.321 1.00 0.00 H new ATOM 709 N VAL A 52 0.491 12.674 7.459 1.00 0.00 N ATOM 710 CA VAL A 52 -0.728 13.226 6.784 1.00 0.00 C ATOM 711 C VAL A 52 -0.966 12.421 5.498 1.00 0.00 C ATOM 712 O VAL A 52 -0.027 11.992 4.854 1.00 0.00 O ATOM 713 CB VAL A 52 -0.483 14.728 6.464 1.00 0.00 C ATOM 714 CG1 VAL A 52 -1.727 15.343 5.780 1.00 0.00 C ATOM 715 CG2 VAL A 52 -0.212 15.493 7.780 1.00 0.00 C ATOM 0 H VAL A 52 1.357 12.798 6.934 1.00 0.00 H new ATOM 0 HA VAL A 52 -1.608 13.147 7.423 1.00 0.00 H new ATOM 0 HB VAL A 52 0.373 14.808 5.794 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -1.540 16.395 5.562 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -1.932 14.811 4.851 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -2.587 15.257 6.444 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -0.040 16.546 7.560 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -1.073 15.397 8.441 1.00 0.00 H new ATOM 0 HG23 VAL A 52 0.669 15.076 8.269 1.00 0.00 H new ATOM 725 N ALA A 53 -2.221 12.243 5.168 1.00 0.00 N ATOM 726 CA ALA A 53 -2.587 11.473 3.939 1.00 0.00 C ATOM 727 C ALA A 53 -2.026 12.125 2.665 1.00 0.00 C ATOM 728 O ALA A 53 -1.609 13.268 2.681 1.00 0.00 O ATOM 729 CB ALA A 53 -4.111 11.392 3.842 1.00 0.00 C ATOM 0 H ALA A 53 -3.014 12.601 5.701 1.00 0.00 H new ATOM 0 HA ALA A 53 -2.152 10.477 4.018 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -4.390 10.832 2.949 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -4.505 10.888 4.724 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -4.526 12.398 3.784 1.00 0.00 H new ATOM 735 N HIS A 54 -2.036 11.363 1.600 1.00 0.00 N ATOM 736 CA HIS A 54 -1.519 11.858 0.286 1.00 0.00 C ATOM 737 C HIS A 54 -2.334 11.230 -0.853 1.00 0.00 C ATOM 738 O HIS A 54 -2.787 11.918 -1.746 1.00 0.00 O ATOM 739 CB HIS A 54 -0.036 11.467 0.204 1.00 0.00 C ATOM 740 CG HIS A 54 0.579 11.899 -1.130 1.00 0.00 C ATOM 741 ND1 HIS A 54 0.249 11.420 -2.282 1.00 0.00 N ATOM 742 CD2 HIS A 54 1.561 12.830 -1.417 1.00 0.00 C ATOM 743 CE1 HIS A 54 0.949 11.986 -3.210 1.00 0.00 C ATOM 744 NE2 HIS A 54 1.780 12.870 -2.717 1.00 0.00 N ATOM 0 H HIS A 54 -2.386 10.405 1.585 1.00 0.00 H new ATOM 0 HA HIS A 54 -1.616 12.940 0.196 1.00 0.00 H new ATOM 0 HB2 HIS A 54 0.510 11.930 1.026 1.00 0.00 H new ATOM 0 HB3 HIS A 54 0.065 10.388 0.321 1.00 0.00 H new ATOM 0 HD2 HIS A 54 2.073 13.435 -0.684 1.00 0.00 H new ATOM 0 HE1 HIS A 54 0.859 11.758 -4.262 1.00 0.00 H new ATOM 0 HE2 HIS A 54 2.445 13.456 -3.223 1.00 0.00 H new ATOM 752 N THR A 55 -2.485 9.933 -0.770 1.00 0.00 N ATOM 753 CA THR A 55 -3.252 9.155 -1.793 1.00 0.00 C ATOM 754 C THR A 55 -4.202 8.210 -1.058 1.00 0.00 C ATOM 755 O THR A 55 -3.926 7.813 0.054 1.00 0.00 O ATOM 756 CB THR A 55 -2.254 8.359 -2.656 1.00 0.00 C ATOM 757 OG1 THR A 55 -1.557 9.355 -3.389 1.00 0.00 O ATOM 758 CG2 THR A 55 -2.946 7.498 -3.731 1.00 0.00 C ATOM 0 H THR A 55 -2.099 9.365 -0.016 1.00 0.00 H new ATOM 0 HA THR A 55 -3.829 9.814 -2.441 1.00 0.00 H new ATOM 0 HB THR A 55 -1.659 7.711 -2.013 1.00 0.00 H new ATOM 0 HG1 THR A 55 -0.983 9.867 -2.781 1.00 0.00 H new ATOM 0 HG21 THR A 55 -2.193 6.961 -4.307 1.00 0.00 H new ATOM 0 HG22 THR A 55 -3.613 6.783 -3.250 1.00 0.00 H new ATOM 0 HG23 THR A 55 -3.522 8.141 -4.397 1.00 0.00 H new ATOM 766 N ARG A 56 -5.296 7.880 -1.693 1.00 0.00 N ATOM 767 CA ARG A 56 -6.288 6.958 -1.060 1.00 0.00 C ATOM 768 C ARG A 56 -6.841 6.017 -2.131 1.00 0.00 C ATOM 769 O ARG A 56 -7.439 6.465 -3.092 1.00 0.00 O ATOM 770 CB ARG A 56 -7.448 7.771 -0.435 1.00 0.00 C ATOM 771 CG ARG A 56 -6.909 8.760 0.629 1.00 0.00 C ATOM 772 CD ARG A 56 -8.078 9.420 1.377 1.00 0.00 C ATOM 773 NE ARG A 56 -8.904 10.199 0.402 1.00 0.00 N ATOM 774 CZ ARG A 56 -9.976 10.849 0.785 1.00 0.00 C ATOM 775 NH1 ARG A 56 -10.354 10.833 2.036 1.00 0.00 N ATOM 776 NH2 ARG A 56 -10.647 11.509 -0.117 1.00 0.00 N ATOM 0 H ARG A 56 -5.547 8.210 -2.625 1.00 0.00 H new ATOM 0 HA ARG A 56 -5.799 6.383 -0.273 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -7.976 8.320 -1.215 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -8.169 7.094 0.022 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -6.267 8.233 1.335 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -6.296 9.524 0.150 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -8.689 8.661 1.865 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -7.700 10.078 2.160 1.00 0.00 H new ATOM 0 HE ARG A 56 -8.627 10.225 -0.579 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -9.813 10.311 2.726 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -11.190 11.342 2.323 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -10.333 11.509 -1.088 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -11.486 12.025 0.148 1.00 0.00 H new ATOM 790 N PHE A 57 -6.624 4.741 -1.931 1.00 0.00 N ATOM 791 CA PHE A 57 -7.117 3.726 -2.911 1.00 0.00 C ATOM 792 C PHE A 57 -8.454 3.123 -2.465 1.00 0.00 C ATOM 793 O PHE A 57 -8.565 2.562 -1.392 1.00 0.00 O ATOM 794 CB PHE A 57 -6.086 2.590 -3.054 1.00 0.00 C ATOM 795 CG PHE A 57 -4.724 3.108 -3.550 1.00 0.00 C ATOM 796 CD1 PHE A 57 -4.629 3.887 -4.690 1.00 0.00 C ATOM 797 CD2 PHE A 57 -3.568 2.791 -2.858 1.00 0.00 C ATOM 798 CE1 PHE A 57 -3.404 4.341 -5.130 1.00 0.00 C ATOM 799 CE2 PHE A 57 -2.342 3.244 -3.299 1.00 0.00 C ATOM 800 CZ PHE A 57 -2.260 4.019 -4.435 1.00 0.00 C ATOM 0 H PHE A 57 -6.125 4.358 -1.128 1.00 0.00 H new ATOM 0 HA PHE A 57 -7.259 4.231 -3.866 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -5.957 2.094 -2.092 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -6.465 1.842 -3.750 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -5.523 4.142 -5.240 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -3.626 2.185 -1.966 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -3.342 4.949 -6.020 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -1.445 2.991 -2.753 1.00 0.00 H new ATOM 0 HZ PHE A 57 -1.300 4.373 -4.780 1.00 0.00 H new ATOM 810 N GLY A 58 -9.423 3.276 -3.332 1.00 0.00 N ATOM 811 CA GLY A 58 -10.805 2.758 -3.091 1.00 0.00 C ATOM 812 C GLY A 58 -11.235 1.931 -4.308 1.00 0.00 C ATOM 813 O GLY A 58 -12.412 1.773 -4.572 1.00 0.00 O ATOM 0 H GLY A 58 -9.309 3.754 -4.226 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -10.828 2.145 -2.190 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -11.497 3.585 -2.932 1.00 0.00 H new ATOM 817 N SER A 59 -10.245 1.433 -5.006 1.00 0.00 N ATOM 818 CA SER A 59 -10.468 0.602 -6.227 1.00 0.00 C ATOM 819 C SER A 59 -9.160 -0.115 -6.590 1.00 0.00 C ATOM 820 O SER A 59 -8.130 0.526 -6.678 1.00 0.00 O ATOM 821 CB SER A 59 -10.918 1.521 -7.386 1.00 0.00 C ATOM 822 OG SER A 59 -9.889 2.496 -7.513 1.00 0.00 O ATOM 0 H SER A 59 -9.262 1.573 -4.772 1.00 0.00 H new ATOM 0 HA SER A 59 -11.242 -0.143 -6.043 1.00 0.00 H new ATOM 0 HB2 SER A 59 -11.041 0.957 -8.310 1.00 0.00 H new ATOM 0 HB3 SER A 59 -11.878 1.988 -7.167 1.00 0.00 H new ATOM 0 HG SER A 59 -9.057 2.145 -7.132 1.00 0.00 H new ATOM 828 N SER A 60 -9.239 -1.413 -6.780 1.00 0.00 N ATOM 829 CA SER A 60 -8.047 -2.241 -7.143 1.00 0.00 C ATOM 830 C SER A 60 -7.149 -1.536 -8.178 1.00 0.00 C ATOM 831 O SER A 60 -7.531 -1.376 -9.322 1.00 0.00 O ATOM 832 CB SER A 60 -8.541 -3.590 -7.713 1.00 0.00 C ATOM 833 OG SER A 60 -9.425 -4.106 -6.728 1.00 0.00 O ATOM 0 H SER A 60 -10.105 -1.945 -6.695 1.00 0.00 H new ATOM 0 HA SER A 60 -7.447 -2.396 -6.246 1.00 0.00 H new ATOM 0 HB2 SER A 60 -9.050 -3.452 -8.667 1.00 0.00 H new ATOM 0 HB3 SER A 60 -7.709 -4.271 -7.892 1.00 0.00 H new ATOM 0 HG SER A 60 -9.781 -4.969 -7.027 1.00 0.00 H new ATOM 839 N ALA A 61 -5.985 -1.140 -7.727 1.00 0.00 N ATOM 840 CA ALA A 61 -4.998 -0.434 -8.609 1.00 0.00 C ATOM 841 C ALA A 61 -3.670 -1.203 -8.683 1.00 0.00 C ATOM 842 O ALA A 61 -2.785 -1.001 -7.874 1.00 0.00 O ATOM 843 CB ALA A 61 -4.780 0.979 -8.037 1.00 0.00 C ATOM 0 H ALA A 61 -5.669 -1.278 -6.767 1.00 0.00 H new ATOM 0 HA ALA A 61 -5.386 -0.374 -9.626 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -4.065 1.517 -8.659 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -5.728 1.517 -8.025 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -4.392 0.904 -7.021 1.00 0.00 H new ATOM 849 N ARG A 62 -3.576 -2.066 -9.665 1.00 0.00 N ATOM 850 CA ARG A 62 -2.348 -2.889 -9.865 1.00 0.00 C ATOM 851 C ARG A 62 -1.161 -2.097 -10.444 1.00 0.00 C ATOM 852 O ARG A 62 -0.890 -2.158 -11.629 1.00 0.00 O ATOM 853 CB ARG A 62 -2.718 -4.058 -10.794 1.00 0.00 C ATOM 854 CG ARG A 62 -3.705 -4.998 -10.080 1.00 0.00 C ATOM 855 CD ARG A 62 -3.944 -6.239 -10.958 1.00 0.00 C ATOM 856 NE ARG A 62 -4.827 -7.191 -10.212 1.00 0.00 N ATOM 857 CZ ARG A 62 -4.368 -7.938 -9.236 1.00 0.00 C ATOM 858 NH1 ARG A 62 -3.113 -7.873 -8.875 1.00 0.00 N ATOM 859 NH2 ARG A 62 -5.202 -8.744 -8.641 1.00 0.00 N ATOM 0 H ARG A 62 -4.314 -2.236 -10.348 1.00 0.00 H new ATOM 0 HA ARG A 62 -2.010 -3.242 -8.890 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -3.164 -3.677 -11.713 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -1.820 -4.607 -11.079 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -3.306 -5.295 -9.110 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -4.647 -4.482 -9.893 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -4.410 -5.951 -11.901 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -2.996 -6.717 -11.204 1.00 0.00 H new ATOM 0 HE ARG A 62 -5.812 -7.261 -10.470 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -2.477 -7.236 -9.354 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -2.770 -8.460 -8.114 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -6.177 -8.779 -8.938 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -4.880 -9.339 -7.878 1.00 0.00 H new ATOM 873 N ALA A 63 -0.483 -1.370 -9.588 1.00 0.00 N ATOM 874 CA ALA A 63 0.693 -0.561 -10.044 1.00 0.00 C ATOM 875 C ALA A 63 1.981 -1.392 -9.935 1.00 0.00 C ATOM 876 O ALA A 63 2.121 -2.190 -9.031 1.00 0.00 O ATOM 877 CB ALA A 63 0.816 0.706 -9.175 1.00 0.00 C ATOM 0 H ALA A 63 -0.693 -1.302 -8.592 1.00 0.00 H new ATOM 0 HA ALA A 63 0.545 -0.274 -11.085 1.00 0.00 H new ATOM 0 HB1 ALA A 63 1.672 1.294 -9.508 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -0.092 1.302 -9.270 1.00 0.00 H new ATOM 0 HB3 ALA A 63 0.955 0.420 -8.132 1.00 0.00 H new ATOM 883 N CYS A 64 2.886 -1.187 -10.859 1.00 0.00 N ATOM 884 CA CYS A 64 4.182 -1.944 -10.855 1.00 0.00 C ATOM 885 C CYS A 64 5.339 -0.968 -11.114 1.00 0.00 C ATOM 886 O CYS A 64 6.217 -1.197 -11.924 1.00 0.00 O ATOM 887 CB CYS A 64 4.063 -3.033 -11.939 1.00 0.00 C ATOM 888 SG CYS A 64 2.673 -4.170 -11.703 1.00 0.00 S ATOM 0 H CYS A 64 2.784 -0.521 -11.625 1.00 0.00 H new ATOM 0 HA CYS A 64 4.387 -2.419 -9.896 1.00 0.00 H new ATOM 0 HB2 CYS A 64 3.962 -2.552 -12.912 1.00 0.00 H new ATOM 0 HB3 CYS A 64 4.988 -3.609 -11.962 1.00 0.00 H new ATOM 893 N ASN A 65 5.270 0.116 -10.386 1.00 0.00 N ATOM 894 CA ASN A 65 6.260 1.216 -10.440 1.00 0.00 C ATOM 895 C ASN A 65 6.485 1.717 -8.994 1.00 0.00 C ATOM 896 O ASN A 65 5.596 1.552 -8.183 1.00 0.00 O ATOM 897 CB ASN A 65 5.674 2.308 -11.311 1.00 0.00 C ATOM 898 CG ASN A 65 4.232 2.618 -10.877 1.00 0.00 C ATOM 899 OD1 ASN A 65 3.281 2.050 -11.378 1.00 0.00 O ATOM 900 ND2 ASN A 65 4.038 3.511 -9.948 1.00 0.00 N ATOM 0 H ASN A 65 4.517 0.284 -9.718 1.00 0.00 H new ATOM 0 HA ASN A 65 7.216 0.899 -10.856 1.00 0.00 H new ATOM 0 HB2 ASN A 65 6.285 3.208 -11.238 1.00 0.00 H new ATOM 0 HB3 ASN A 65 5.688 1.997 -12.356 1.00 0.00 H new ATOM 0 HD21 ASN A 65 3.090 3.732 -9.643 1.00 0.00 H new ATOM 0 HD22 ASN A 65 4.834 3.989 -9.526 1.00 0.00 H new ATOM 907 N PRO A 66 7.628 2.307 -8.700 1.00 0.00 N ATOM 908 CA PRO A 66 7.908 2.924 -7.362 1.00 0.00 C ATOM 909 C PRO A 66 6.846 3.977 -6.989 1.00 0.00 C ATOM 910 O PRO A 66 6.204 4.531 -7.862 1.00 0.00 O ATOM 911 CB PRO A 66 9.307 3.535 -7.466 1.00 0.00 C ATOM 912 CG PRO A 66 9.842 3.240 -8.879 1.00 0.00 C ATOM 913 CD PRO A 66 8.779 2.434 -9.642 1.00 0.00 C ATOM 0 HA PRO A 66 7.865 2.180 -6.566 1.00 0.00 H new ATOM 0 HB2 PRO A 66 9.269 4.610 -7.288 1.00 0.00 H new ATOM 0 HB3 PRO A 66 9.967 3.110 -6.710 1.00 0.00 H new ATOM 0 HG2 PRO A 66 10.061 4.170 -9.403 1.00 0.00 H new ATOM 0 HG3 PRO A 66 10.775 2.679 -8.822 1.00 0.00 H new ATOM 0 HD2 PRO A 66 8.482 2.944 -10.559 1.00 0.00 H new ATOM 0 HD3 PRO A 66 9.161 1.455 -9.931 1.00 0.00 H new ATOM 921 N PHE A 67 6.697 4.218 -5.705 1.00 0.00 N ATOM 922 CA PHE A 67 5.692 5.220 -5.217 1.00 0.00 C ATOM 923 C PHE A 67 6.340 6.320 -4.348 1.00 0.00 C ATOM 924 O PHE A 67 7.384 6.825 -4.717 1.00 0.00 O ATOM 925 CB PHE A 67 4.606 4.427 -4.439 1.00 0.00 C ATOM 926 CG PHE A 67 5.077 3.733 -3.134 1.00 0.00 C ATOM 927 CD1 PHE A 67 6.344 3.871 -2.578 1.00 0.00 C ATOM 928 CD2 PHE A 67 4.161 2.938 -2.471 1.00 0.00 C ATOM 929 CE1 PHE A 67 6.669 3.239 -1.399 1.00 0.00 C ATOM 930 CE2 PHE A 67 4.487 2.308 -1.297 1.00 0.00 C ATOM 931 CZ PHE A 67 5.738 2.458 -0.761 1.00 0.00 C ATOM 0 H PHE A 67 7.233 3.759 -4.969 1.00 0.00 H new ATOM 0 HA PHE A 67 5.247 5.751 -6.059 1.00 0.00 H new ATOM 0 HB2 PHE A 67 3.793 5.110 -4.191 1.00 0.00 H new ATOM 0 HB3 PHE A 67 4.193 3.667 -5.103 1.00 0.00 H new ATOM 0 HD1 PHE A 67 7.082 4.481 -3.077 1.00 0.00 H new ATOM 0 HD2 PHE A 67 3.171 2.811 -2.885 1.00 0.00 H new ATOM 0 HE1 PHE A 67 7.656 3.358 -0.976 1.00 0.00 H new ATOM 0 HE2 PHE A 67 3.756 1.692 -0.794 1.00 0.00 H new ATOM 0 HZ PHE A 67 5.992 1.962 0.164 1.00 0.00 H new ATOM 941 N GLY A 68 5.730 6.668 -3.234 1.00 0.00 N ATOM 942 CA GLY A 68 6.313 7.729 -2.353 1.00 0.00 C ATOM 943 C GLY A 68 5.809 7.725 -0.899 1.00 0.00 C ATOM 944 O GLY A 68 6.289 8.521 -0.114 1.00 0.00 O ATOM 0 H GLY A 68 4.856 6.262 -2.901 1.00 0.00 H new ATOM 0 HA2 GLY A 68 7.397 7.616 -2.345 1.00 0.00 H new ATOM 0 HA3 GLY A 68 6.097 8.703 -2.793 1.00 0.00 H new ATOM 948 N TRP A 69 4.879 6.862 -0.554 1.00 0.00 N ATOM 949 CA TRP A 69 4.365 6.837 0.861 1.00 0.00 C ATOM 950 C TRP A 69 5.190 5.861 1.713 1.00 0.00 C ATOM 951 O TRP A 69 5.941 5.066 1.178 1.00 0.00 O ATOM 952 CB TRP A 69 2.895 6.399 0.851 1.00 0.00 C ATOM 953 CG TRP A 69 2.171 7.131 -0.288 1.00 0.00 C ATOM 954 CD1 TRP A 69 1.785 8.444 -0.313 1.00 0.00 C ATOM 955 CD2 TRP A 69 1.814 6.562 -1.468 1.00 0.00 C ATOM 956 NE1 TRP A 69 1.227 8.592 -1.489 1.00 0.00 N ATOM 957 CE2 TRP A 69 1.196 7.525 -2.257 1.00 0.00 C ATOM 958 CE3 TRP A 69 1.969 5.264 -1.942 1.00 0.00 C ATOM 959 CZ2 TRP A 69 0.733 7.188 -3.523 1.00 0.00 C ATOM 960 CZ3 TRP A 69 1.506 4.927 -3.208 1.00 0.00 C ATOM 961 CH2 TRP A 69 0.888 5.890 -4.001 1.00 0.00 C ATOM 0 H TRP A 69 4.456 6.179 -1.182 1.00 0.00 H new ATOM 0 HA TRP A 69 4.453 7.834 1.293 1.00 0.00 H new ATOM 0 HB2 TRP A 69 2.823 5.320 0.713 1.00 0.00 H new ATOM 0 HB3 TRP A 69 2.425 6.630 1.807 1.00 0.00 H new ATOM 0 HD1 TRP A 69 1.911 9.188 0.460 1.00 0.00 H new ATOM 0 HE1 TRP A 69 0.838 9.485 -1.792 1.00 0.00 H new ATOM 0 HE3 TRP A 69 2.449 4.518 -1.326 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 0.252 7.935 -4.137 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 1.625 3.919 -3.577 1.00 0.00 H new ATOM 0 HH2 TRP A 69 0.529 5.630 -4.986 1.00 0.00 H new ATOM 972 N LYS A 70 5.024 5.949 3.012 1.00 0.00 N ATOM 973 CA LYS A 70 5.770 5.058 3.950 1.00 0.00 C ATOM 974 C LYS A 70 4.864 3.906 4.406 1.00 0.00 C ATOM 975 O LYS A 70 5.310 2.779 4.490 1.00 0.00 O ATOM 976 CB LYS A 70 6.215 5.876 5.176 1.00 0.00 C ATOM 977 CG LYS A 70 7.344 5.145 5.935 1.00 0.00 C ATOM 978 CD LYS A 70 8.748 5.652 5.496 1.00 0.00 C ATOM 979 CE LYS A 70 9.010 5.440 3.992 1.00 0.00 C ATOM 980 NZ LYS A 70 10.381 5.917 3.654 1.00 0.00 N ATOM 0 H LYS A 70 4.394 6.611 3.465 1.00 0.00 H new ATOM 0 HA LYS A 70 6.643 4.647 3.443 1.00 0.00 H new ATOM 0 HB2 LYS A 70 6.561 6.860 4.858 1.00 0.00 H new ATOM 0 HB3 LYS A 70 5.366 6.036 5.841 1.00 0.00 H new ATOM 0 HG2 LYS A 70 7.220 5.297 7.007 1.00 0.00 H new ATOM 0 HG3 LYS A 70 7.270 4.073 5.754 1.00 0.00 H new ATOM 0 HD2 LYS A 70 8.837 6.713 5.731 1.00 0.00 H new ATOM 0 HD3 LYS A 70 9.514 5.133 6.071 1.00 0.00 H new ATOM 0 HE2 LYS A 70 8.908 4.385 3.740 1.00 0.00 H new ATOM 0 HE3 LYS A 70 8.270 5.981 3.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 10.558 5.774 2.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 10.462 6.929 3.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 11.081 5.381 4.206 1.00 0.00 H new ATOM 994 N SER A 71 3.624 4.234 4.686 1.00 0.00 N ATOM 995 CA SER A 71 2.620 3.220 5.146 1.00 0.00 C ATOM 996 C SER A 71 1.252 3.416 4.491 1.00 0.00 C ATOM 997 O SER A 71 1.047 4.347 3.735 1.00 0.00 O ATOM 998 CB SER A 71 2.473 3.314 6.679 1.00 0.00 C ATOM 999 OG SER A 71 2.133 4.669 6.938 1.00 0.00 O ATOM 0 H SER A 71 3.258 5.183 4.613 1.00 0.00 H new ATOM 0 HA SER A 71 2.984 2.236 4.852 1.00 0.00 H new ATOM 0 HB2 SER A 71 1.700 2.637 7.043 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.400 3.038 7.181 1.00 0.00 H new ATOM 0 HG SER A 71 2.863 5.101 7.429 1.00 0.00 H new ATOM 1005 N ILE A 72 0.360 2.512 4.821 1.00 0.00 N ATOM 1006 CA ILE A 72 -1.025 2.550 4.274 1.00 0.00 C ATOM 1007 C ILE A 72 -2.060 2.079 5.312 1.00 0.00 C ATOM 1008 O ILE A 72 -1.938 1.016 5.891 1.00 0.00 O ATOM 1009 CB ILE A 72 -1.065 1.657 2.993 1.00 0.00 C ATOM 1010 CG1 ILE A 72 -2.502 1.676 2.411 1.00 0.00 C ATOM 1011 CG2 ILE A 72 -0.641 0.190 3.318 1.00 0.00 C ATOM 1012 CD1 ILE A 72 -2.509 1.135 0.987 1.00 0.00 C ATOM 0 H ILE A 72 0.542 1.737 5.459 1.00 0.00 H new ATOM 0 HA ILE A 72 -1.289 3.577 4.022 1.00 0.00 H new ATOM 0 HB ILE A 72 -0.361 2.055 2.263 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -3.162 1.076 3.037 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -2.891 2.694 2.421 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -0.678 -0.409 2.408 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.374 0.184 3.715 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -1.323 -0.230 4.057 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -3.526 1.156 0.595 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.866 1.752 0.360 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -2.141 0.109 0.986 1.00 0.00 H new ATOM 1024 N PHE A 73 -3.050 2.913 5.504 1.00 0.00 N ATOM 1025 CA PHE A 73 -4.151 2.623 6.469 1.00 0.00 C ATOM 1026 C PHE A 73 -5.206 1.763 5.757 1.00 0.00 C ATOM 1027 O PHE A 73 -6.087 2.269 5.091 1.00 0.00 O ATOM 1028 CB PHE A 73 -4.747 3.966 6.936 1.00 0.00 C ATOM 1029 CG PHE A 73 -5.858 3.784 7.995 1.00 0.00 C ATOM 1030 CD1 PHE A 73 -5.837 2.747 8.917 1.00 0.00 C ATOM 1031 CD2 PHE A 73 -6.907 4.685 8.032 1.00 0.00 C ATOM 1032 CE1 PHE A 73 -6.843 2.618 9.851 1.00 0.00 C ATOM 1033 CE2 PHE A 73 -7.913 4.555 8.967 1.00 0.00 C ATOM 1034 CZ PHE A 73 -7.882 3.522 9.877 1.00 0.00 C ATOM 0 H PHE A 73 -3.142 3.806 5.019 1.00 0.00 H new ATOM 0 HA PHE A 73 -3.789 2.077 7.340 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -3.953 4.588 7.350 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -5.153 4.498 6.076 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -5.025 2.035 8.903 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -6.939 5.498 7.322 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -6.816 1.807 10.563 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -8.727 5.265 8.985 1.00 0.00 H new ATOM 0 HZ PHE A 73 -8.670 3.421 10.609 1.00 0.00 H new ATOM 1044 N ILE A 74 -5.064 0.476 5.931 1.00 0.00 N ATOM 1045 CA ILE A 74 -5.997 -0.514 5.310 1.00 0.00 C ATOM 1046 C ILE A 74 -7.321 -0.561 6.087 1.00 0.00 C ATOM 1047 O ILE A 74 -7.338 -0.932 7.246 1.00 0.00 O ATOM 1048 CB ILE A 74 -5.294 -1.898 5.323 1.00 0.00 C ATOM 1049 CG1 ILE A 74 -3.943 -1.833 4.543 1.00 0.00 C ATOM 1050 CG2 ILE A 74 -6.193 -3.003 4.728 1.00 0.00 C ATOM 1051 CD1 ILE A 74 -4.148 -1.510 3.036 1.00 0.00 C ATOM 0 H ILE A 74 -4.322 0.058 6.492 1.00 0.00 H new ATOM 0 HA ILE A 74 -6.234 -0.227 4.285 1.00 0.00 H new ATOM 0 HB ILE A 74 -5.096 -2.151 6.364 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -3.303 -1.073 4.992 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -3.423 -2.786 4.641 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -5.665 -3.956 4.755 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -7.110 -3.080 5.312 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -6.440 -2.755 3.696 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -3.180 -1.476 2.536 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -4.765 -2.284 2.579 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -4.643 -0.544 2.935 1.00 0.00 H new ATOM 1063 N GLN A 75 -8.387 -0.181 5.425 1.00 0.00 N ATOM 1064 CA GLN A 75 -9.728 -0.190 6.085 1.00 0.00 C ATOM 1065 C GLN A 75 -10.183 -1.629 6.351 1.00 0.00 C ATOM 1066 O GLN A 75 -10.033 -2.498 5.513 1.00 0.00 O ATOM 1067 CB GLN A 75 -10.727 0.514 5.182 1.00 0.00 C ATOM 1068 CG GLN A 75 -10.301 1.984 5.051 1.00 0.00 C ATOM 1069 CD GLN A 75 -10.397 2.708 6.396 1.00 0.00 C ATOM 1070 OE1 GLN A 75 -11.565 3.130 6.790 1.00 0.00 O flip ATOM 1071 NE2 GLN A 75 -9.418 2.892 7.093 1.00 0.00 N flip ATOM 0 H GLN A 75 -8.385 0.135 4.455 1.00 0.00 H new ATOM 0 HA GLN A 75 -9.665 0.331 7.041 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -10.756 0.038 4.202 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -11.732 0.445 5.599 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -9.278 2.037 4.678 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -10.934 2.485 4.319 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -8.503 2.562 6.785 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -9.511 3.377 7.986 1.00 0.00 H new ATOM 1080 N CYS A 76 -10.725 -1.823 7.523 1.00 0.00 N ATOM 1081 CA CYS A 76 -11.216 -3.171 7.932 1.00 0.00 C ATOM 1082 C CYS A 76 -12.636 -3.444 7.402 1.00 0.00 C ATOM 1083 O CYS A 76 -12.882 -4.595 7.079 1.00 0.00 O ATOM 1084 CB CYS A 76 -11.182 -3.214 9.456 1.00 0.00 C ATOM 1085 SG CYS A 76 -11.139 -4.837 10.247 1.00 0.00 S ATOM 1086 OXT CYS A 76 -13.397 -2.490 7.346 1.00 0.00 O ATOM 0 H CYS A 76 -10.850 -1.094 8.225 1.00 0.00 H new ATOM 0 HA CYS A 76 -10.581 -3.948 7.508 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -10.307 -2.655 9.788 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -12.059 -2.683 9.827 1.00 0.00 H new