USER MOD reduce.3.24.130724 H: found=0, std=0, add=524, rem=0, adj=25 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 45 ASN :FLIP amide:sc= -0.345 F(o=-0.31!,f=0.91) USER MOD Set 1.2: A 54 HIS :FLIP no HD1:sc= -0.614 X(o=0.63,f=0.91) USER MOD Set 1.3: A 55 THR OG1 : rot 143:sc= 1.87 USER MOD Set 2.1: A 18 TYR OH : rot 103:sc= 0.904 USER MOD Set 2.2: A 28 GLN : amide:sc= -2.48! C(o=-1.6!,f=-5.4!) USER MOD Set 3.1: A 1 SER N :NH3+ -125:sc= -2.15 (180deg=-6.58!) USER MOD Set 3.2: A 37 THR OG1 : rot 180:sc= -0.104 USER MOD Single : A 1 SER OG : rot -161:sc= 0.292 USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.285 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= -1.05 X(o=-1.1,f=-0.56) USER MOD Single : A 13 ASN : amide:sc= -9.22! C(o=-9.2!,f=-14!) USER MOD Single : A 19 SER OG : rot 38:sc= 0.537 USER MOD Single : A 20 LYS NZ :NH3+ 162:sc= -0.0381 (180deg=-0.415) USER MOD Single : A 24 SER OG : rot 128:sc= 0.376 USER MOD Single : A 27 HIS : no HD1:sc= -0.553 K(o=-0.55,f=-1.4) USER MOD Single : A 29 LYS NZ :NH3+ -121:sc= -0.289 (180deg=-2.95!) USER MOD Single : A 32 TYR OH : rot 91:sc= 0.0955 USER MOD Single : A 35 SER OG : rot 180:sc= -0.0229 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 GLN :FLIP amide:sc= -0.381 F(o=-1.3,f=-0.38) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.00704 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -0.478 K(o=-0.48,f=-1.4) USER MOD Single : A 50 SER OG : rot 97:sc= 1.15 USER MOD Single : A 59 SER OG : rot 180:sc= -0.145 USER MOD Single : A 60 SER OG : rot 33:sc= 0.66 USER MOD Single : A 65 ASN : amide:sc= -0.16 X(o=-0.16,f=0) USER MOD Single : A 70 LYS NZ :NH3+ -144:sc= 0.901 (180deg=-0.148) USER MOD Single : A 71 SER OG : rot -85:sc= 0.526 USER MOD Single : A 75 GLN :FLIP amide:sc= -0.612 F(o=-1.3,f=-0.61) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -9.836 -5.797 1.768 1.00 0.00 N ATOM 2 CA SER A 1 -8.975 -5.160 0.731 1.00 0.00 C ATOM 3 C SER A 1 -7.497 -5.421 1.047 1.00 0.00 C ATOM 4 O SER A 1 -7.167 -5.692 2.186 1.00 0.00 O ATOM 5 CB SER A 1 -9.252 -3.643 0.695 1.00 0.00 C ATOM 6 OG SER A 1 -8.984 -3.182 2.012 1.00 0.00 O ATOM 0 H1 SER A 1 -10.521 -6.431 1.309 1.00 0.00 H new ATOM 0 H2 SER A 1 -9.243 -6.345 2.423 1.00 0.00 H new ATOM 0 H3 SER A 1 -10.346 -5.060 2.296 1.00 0.00 H new ATOM 0 HA SER A 1 -9.204 -5.589 -0.245 1.00 0.00 H new ATOM 0 HB2 SER A 1 -8.614 -3.144 -0.034 1.00 0.00 H new ATOM 0 HB3 SER A 1 -10.284 -3.438 0.409 1.00 0.00 H new ATOM 0 HG SER A 1 -9.415 -2.313 2.148 1.00 0.00 H new ATOM 11 N ALA A 2 -6.651 -5.333 0.044 1.00 0.00 N ATOM 12 CA ALA A 2 -5.191 -5.580 0.275 1.00 0.00 C ATOM 13 C ALA A 2 -4.238 -4.851 -0.688 1.00 0.00 C ATOM 14 O ALA A 2 -4.406 -4.902 -1.892 1.00 0.00 O ATOM 15 CB ALA A 2 -4.934 -7.087 0.172 1.00 0.00 C ATOM 0 H ALA A 2 -6.907 -5.103 -0.916 1.00 0.00 H new ATOM 0 HA ALA A 2 -4.973 -5.177 1.264 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -3.875 -7.288 0.337 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -5.524 -7.609 0.925 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -5.219 -7.438 -0.820 1.00 0.00 H new ATOM 21 N PHE A 3 -3.268 -4.192 -0.099 1.00 0.00 N ATOM 22 CA PHE A 3 -2.235 -3.430 -0.861 1.00 0.00 C ATOM 23 C PHE A 3 -0.998 -4.316 -1.099 1.00 0.00 C ATOM 24 O PHE A 3 -0.097 -4.358 -0.281 1.00 0.00 O ATOM 25 CB PHE A 3 -1.897 -2.203 -0.026 1.00 0.00 C ATOM 26 CG PHE A 3 -0.885 -1.244 -0.685 1.00 0.00 C ATOM 27 CD1 PHE A 3 -1.252 -0.471 -1.773 1.00 0.00 C ATOM 28 CD2 PHE A 3 0.401 -1.124 -0.187 1.00 0.00 C ATOM 29 CE1 PHE A 3 -0.357 0.404 -2.349 1.00 0.00 C ATOM 30 CE2 PHE A 3 1.297 -0.246 -0.765 1.00 0.00 C ATOM 31 CZ PHE A 3 0.920 0.518 -1.845 1.00 0.00 C ATOM 0 H PHE A 3 -3.149 -4.152 0.913 1.00 0.00 H new ATOM 0 HA PHE A 3 -2.597 -3.126 -1.843 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -2.816 -1.655 0.182 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -1.497 -2.530 0.934 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -2.251 -0.555 -2.175 1.00 0.00 H new ATOM 0 HD2 PHE A 3 0.706 -1.721 0.660 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -0.657 1.002 -3.197 1.00 0.00 H new ATOM 0 HE2 PHE A 3 2.297 -0.159 -0.367 1.00 0.00 H new ATOM 0 HZ PHE A 3 1.622 1.204 -2.296 1.00 0.00 H new ATOM 41 N THR A 4 -0.991 -5.008 -2.212 1.00 0.00 N ATOM 42 CA THR A 4 0.163 -5.902 -2.553 1.00 0.00 C ATOM 43 C THR A 4 1.337 -5.004 -2.959 1.00 0.00 C ATOM 44 O THR A 4 1.107 -3.937 -3.491 1.00 0.00 O ATOM 45 CB THR A 4 -0.231 -6.811 -3.725 1.00 0.00 C ATOM 46 OG1 THR A 4 -1.353 -7.545 -3.259 1.00 0.00 O ATOM 47 CG2 THR A 4 0.854 -7.867 -4.021 1.00 0.00 C ATOM 0 H THR A 4 -1.740 -4.993 -2.904 1.00 0.00 H new ATOM 0 HA THR A 4 0.439 -6.527 -1.704 1.00 0.00 H new ATOM 0 HB THR A 4 -0.399 -6.207 -4.617 1.00 0.00 H new ATOM 0 HG1 THR A 4 -1.663 -8.152 -3.964 1.00 0.00 H new ATOM 0 HG21 THR A 4 0.537 -8.490 -4.857 1.00 0.00 H new ATOM 0 HG22 THR A 4 1.789 -7.367 -4.275 1.00 0.00 H new ATOM 0 HG23 THR A 4 1.004 -8.491 -3.140 1.00 0.00 H new ATOM 55 N VAL A 5 2.545 -5.444 -2.698 1.00 0.00 N ATOM 56 CA VAL A 5 3.749 -4.623 -3.065 1.00 0.00 C ATOM 57 C VAL A 5 4.934 -5.554 -3.385 1.00 0.00 C ATOM 58 O VAL A 5 5.137 -6.514 -2.671 1.00 0.00 O ATOM 59 CB VAL A 5 4.162 -3.679 -1.878 1.00 0.00 C ATOM 60 CG1 VAL A 5 2.952 -2.889 -1.354 1.00 0.00 C ATOM 61 CG2 VAL A 5 4.775 -4.457 -0.690 1.00 0.00 C ATOM 0 H VAL A 5 2.752 -6.335 -2.247 1.00 0.00 H new ATOM 0 HA VAL A 5 3.495 -4.018 -3.936 1.00 0.00 H new ATOM 0 HB VAL A 5 4.913 -3.002 -2.284 1.00 0.00 H new ATOM 0 HG11 VAL A 5 3.266 -2.244 -0.533 1.00 0.00 H new ATOM 0 HG12 VAL A 5 2.540 -2.279 -2.158 1.00 0.00 H new ATOM 0 HG13 VAL A 5 2.190 -3.583 -0.999 1.00 0.00 H new ATOM 0 HG21 VAL A 5 5.043 -3.759 0.103 1.00 0.00 H new ATOM 0 HG22 VAL A 5 4.047 -5.175 -0.311 1.00 0.00 H new ATOM 0 HG23 VAL A 5 5.667 -4.987 -1.024 1.00 0.00 H new ATOM 71 N TRP A 6 5.675 -5.268 -4.428 1.00 0.00 N ATOM 72 CA TRP A 6 6.844 -6.114 -4.793 1.00 0.00 C ATOM 73 C TRP A 6 8.097 -5.246 -4.567 1.00 0.00 C ATOM 74 O TRP A 6 8.015 -4.032 -4.609 1.00 0.00 O ATOM 75 CB TRP A 6 6.744 -6.522 -6.260 1.00 0.00 C ATOM 76 CG TRP A 6 5.523 -7.401 -6.559 1.00 0.00 C ATOM 77 CD1 TRP A 6 5.560 -8.759 -6.693 1.00 0.00 C ATOM 78 CD2 TRP A 6 4.239 -6.990 -6.748 1.00 0.00 C ATOM 79 NE1 TRP A 6 4.323 -9.101 -6.951 1.00 0.00 N ATOM 80 CE2 TRP A 6 3.453 -8.118 -7.008 1.00 0.00 C ATOM 81 CE3 TRP A 6 3.652 -5.729 -6.731 1.00 0.00 C ATOM 82 CZ2 TRP A 6 2.091 -7.973 -7.247 1.00 0.00 C ATOM 83 CZ3 TRP A 6 2.295 -5.595 -6.972 1.00 0.00 C ATOM 84 CH2 TRP A 6 1.525 -6.720 -7.228 1.00 0.00 C ATOM 0 H TRP A 6 5.514 -4.473 -5.047 1.00 0.00 H new ATOM 0 HA TRP A 6 6.884 -7.024 -4.194 1.00 0.00 H new ATOM 0 HB2 TRP A 6 6.698 -5.625 -6.878 1.00 0.00 H new ATOM 0 HB3 TRP A 6 7.649 -7.059 -6.544 1.00 0.00 H new ATOM 0 HD1 TRP A 6 6.419 -9.407 -6.606 1.00 0.00 H new ATOM 0 HE1 TRP A 6 4.051 -10.073 -7.099 1.00 0.00 H new ATOM 0 HE3 TRP A 6 4.254 -4.855 -6.530 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 1.480 -8.841 -7.447 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 1.837 -4.617 -6.961 1.00 0.00 H new ATOM 0 HH2 TRP A 6 0.467 -6.610 -7.415 1.00 0.00 H new ATOM 95 N SER A 7 9.217 -5.887 -4.336 1.00 0.00 N ATOM 96 CA SER A 7 10.499 -5.143 -4.093 1.00 0.00 C ATOM 97 C SER A 7 11.012 -4.368 -5.321 1.00 0.00 C ATOM 98 O SER A 7 11.455 -3.244 -5.176 1.00 0.00 O ATOM 99 CB SER A 7 11.568 -6.152 -3.635 1.00 0.00 C ATOM 100 OG SER A 7 12.715 -5.362 -3.353 1.00 0.00 O ATOM 0 H SER A 7 9.301 -6.903 -4.305 1.00 0.00 H new ATOM 0 HA SER A 7 10.298 -4.394 -3.327 1.00 0.00 H new ATOM 0 HB2 SER A 7 11.240 -6.703 -2.753 1.00 0.00 H new ATOM 0 HB3 SER A 7 11.776 -6.888 -4.412 1.00 0.00 H new ATOM 0 HG SER A 7 13.445 -5.942 -3.051 1.00 0.00 H new ATOM 106 N GLY A 8 10.947 -4.974 -6.481 1.00 0.00 N ATOM 107 CA GLY A 8 11.426 -4.284 -7.724 1.00 0.00 C ATOM 108 C GLY A 8 11.590 -5.261 -8.904 1.00 0.00 C ATOM 109 O GLY A 8 11.777 -6.441 -8.683 1.00 0.00 O ATOM 0 H GLY A 8 10.583 -5.916 -6.623 1.00 0.00 H new ATOM 0 HA2 GLY A 8 10.719 -3.501 -7.998 1.00 0.00 H new ATOM 0 HA3 GLY A 8 12.380 -3.796 -7.523 1.00 0.00 H new ATOM 113 N PRO A 9 11.528 -4.767 -10.125 1.00 0.00 N ATOM 114 CA PRO A 9 11.494 -3.314 -10.487 1.00 0.00 C ATOM 115 C PRO A 9 10.099 -2.724 -10.241 1.00 0.00 C ATOM 116 O PRO A 9 9.958 -1.707 -9.589 1.00 0.00 O ATOM 117 CB PRO A 9 11.903 -3.255 -11.957 1.00 0.00 C ATOM 118 CG PRO A 9 11.768 -4.686 -12.517 1.00 0.00 C ATOM 119 CD PRO A 9 11.481 -5.635 -11.337 1.00 0.00 C ATOM 0 HA PRO A 9 12.170 -2.717 -9.875 1.00 0.00 H new ATOM 0 HB2 PRO A 9 11.266 -2.563 -12.508 1.00 0.00 H new ATOM 0 HB3 PRO A 9 12.927 -2.895 -12.059 1.00 0.00 H new ATOM 0 HG2 PRO A 9 10.962 -4.734 -13.249 1.00 0.00 H new ATOM 0 HG3 PRO A 9 12.683 -4.982 -13.030 1.00 0.00 H new ATOM 0 HD2 PRO A 9 10.507 -6.113 -11.443 1.00 0.00 H new ATOM 0 HD3 PRO A 9 12.223 -6.432 -11.281 1.00 0.00 H new ATOM 127 N GLY A 10 9.119 -3.397 -10.784 1.00 0.00 N ATOM 128 CA GLY A 10 7.698 -2.973 -10.644 1.00 0.00 C ATOM 129 C GLY A 10 7.018 -4.042 -9.798 1.00 0.00 C ATOM 130 O GLY A 10 7.297 -4.172 -8.622 1.00 0.00 O ATOM 0 H GLY A 10 9.251 -4.246 -11.334 1.00 0.00 H new ATOM 0 HA2 GLY A 10 7.628 -1.996 -10.166 1.00 0.00 H new ATOM 0 HA3 GLY A 10 7.220 -2.886 -11.620 1.00 0.00 H new ATOM 134 N CYS A 11 6.148 -4.770 -10.442 1.00 0.00 N ATOM 135 CA CYS A 11 5.378 -5.872 -9.789 1.00 0.00 C ATOM 136 C CYS A 11 5.897 -7.174 -10.419 1.00 0.00 C ATOM 137 O CYS A 11 5.127 -7.975 -10.917 1.00 0.00 O ATOM 138 CB CYS A 11 3.891 -5.656 -10.092 1.00 0.00 C ATOM 139 SG CYS A 11 3.503 -5.454 -11.849 1.00 0.00 S ATOM 0 H CYS A 11 5.930 -4.642 -11.430 1.00 0.00 H new ATOM 0 HA CYS A 11 5.499 -5.904 -8.706 1.00 0.00 H new ATOM 0 HB2 CYS A 11 3.327 -6.504 -9.704 1.00 0.00 H new ATOM 0 HB3 CYS A 11 3.548 -4.772 -9.554 1.00 0.00 H new ATOM 144 N ASN A 12 7.197 -7.348 -10.378 1.00 0.00 N ATOM 145 CA ASN A 12 7.810 -8.579 -10.976 1.00 0.00 C ATOM 146 C ASN A 12 8.931 -9.183 -10.109 1.00 0.00 C ATOM 147 O ASN A 12 10.089 -9.139 -10.479 1.00 0.00 O ATOM 148 CB ASN A 12 8.355 -8.193 -12.368 1.00 0.00 C ATOM 149 CG ASN A 12 7.289 -7.432 -13.169 1.00 0.00 C ATOM 150 OD1 ASN A 12 6.540 -7.995 -13.942 1.00 0.00 O ATOM 151 ND2 ASN A 12 7.197 -6.139 -12.998 1.00 0.00 N ATOM 0 H ASN A 12 7.858 -6.694 -9.958 1.00 0.00 H new ATOM 0 HA ASN A 12 7.045 -9.352 -11.044 1.00 0.00 H new ATOM 0 HB2 ASN A 12 9.246 -7.575 -12.258 1.00 0.00 H new ATOM 0 HB3 ASN A 12 8.654 -9.090 -12.910 1.00 0.00 H new ATOM 0 HD21 ASN A 12 6.497 -5.605 -13.513 1.00 0.00 H new ATOM 0 HD22 ASN A 12 7.825 -5.664 -12.349 1.00 0.00 H new ATOM 158 N ASN A 13 8.549 -9.732 -8.981 1.00 0.00 N ATOM 159 CA ASN A 13 9.514 -10.362 -8.025 1.00 0.00 C ATOM 160 C ASN A 13 8.753 -10.874 -6.783 1.00 0.00 C ATOM 161 O ASN A 13 7.634 -11.334 -6.920 1.00 0.00 O ATOM 162 CB ASN A 13 10.600 -9.307 -7.636 1.00 0.00 C ATOM 163 CG ASN A 13 9.940 -8.058 -7.059 1.00 0.00 C ATOM 164 OD1 ASN A 13 9.969 -7.855 -5.864 1.00 0.00 O ATOM 165 ND2 ASN A 13 9.342 -7.204 -7.852 1.00 0.00 N ATOM 0 H ASN A 13 7.577 -9.770 -8.674 1.00 0.00 H new ATOM 0 HA ASN A 13 10.009 -11.216 -8.488 1.00 0.00 H new ATOM 0 HB2 ASN A 13 11.287 -9.734 -6.906 1.00 0.00 H new ATOM 0 HB3 ASN A 13 11.191 -9.043 -8.513 1.00 0.00 H new ATOM 0 HD21 ASN A 13 8.902 -6.370 -7.464 1.00 0.00 H new ATOM 0 HD22 ASN A 13 9.317 -7.373 -8.858 1.00 0.00 H new ATOM 172 N ARG A 14 9.353 -10.797 -5.618 1.00 0.00 N ATOM 173 CA ARG A 14 8.670 -11.272 -4.367 1.00 0.00 C ATOM 174 C ARG A 14 7.682 -10.196 -3.885 1.00 0.00 C ATOM 175 O ARG A 14 7.615 -9.149 -4.499 1.00 0.00 O ATOM 176 CB ARG A 14 9.778 -11.580 -3.316 1.00 0.00 C ATOM 177 CG ARG A 14 10.755 -10.397 -3.048 1.00 0.00 C ATOM 178 CD ARG A 14 10.109 -9.286 -2.211 1.00 0.00 C ATOM 179 NE ARG A 14 9.605 -9.905 -0.948 1.00 0.00 N ATOM 180 CZ ARG A 14 8.912 -9.219 -0.079 1.00 0.00 C ATOM 181 NH1 ARG A 14 8.635 -7.964 -0.304 1.00 0.00 N ATOM 182 NH2 ARG A 14 8.516 -9.832 1.002 1.00 0.00 N ATOM 0 H ARG A 14 10.292 -10.424 -5.477 1.00 0.00 H new ATOM 0 HA ARG A 14 8.090 -12.179 -4.539 1.00 0.00 H new ATOM 0 HB2 ARG A 14 9.303 -11.863 -2.377 1.00 0.00 H new ATOM 0 HB3 ARG A 14 10.354 -12.442 -3.654 1.00 0.00 H new ATOM 0 HG2 ARG A 14 11.640 -10.769 -2.532 1.00 0.00 H new ATOM 0 HG3 ARG A 14 11.091 -9.984 -3.999 1.00 0.00 H new ATOM 0 HD2 ARG A 14 10.834 -8.502 -1.990 1.00 0.00 H new ATOM 0 HD3 ARG A 14 9.292 -8.819 -2.761 1.00 0.00 H new ATOM 0 HE ARG A 14 9.807 -10.887 -0.760 1.00 0.00 H new ATOM 0 HH11 ARG A 14 8.960 -7.516 -1.161 1.00 0.00 H new ATOM 0 HH12 ARG A 14 8.094 -7.431 0.377 1.00 0.00 H new ATOM 0 HH21 ARG A 14 8.750 -10.814 1.146 1.00 0.00 H new ATOM 0 HH22 ARG A 14 7.973 -9.329 1.704 1.00 0.00 H new ATOM 196 N ALA A 15 6.946 -10.447 -2.822 1.00 0.00 N ATOM 197 CA ALA A 15 5.968 -9.405 -2.346 1.00 0.00 C ATOM 198 C ALA A 15 5.440 -9.531 -0.903 1.00 0.00 C ATOM 199 O ALA A 15 5.776 -10.443 -0.173 1.00 0.00 O ATOM 200 CB ALA A 15 4.763 -9.412 -3.312 1.00 0.00 C ATOM 0 H ALA A 15 6.977 -11.307 -2.274 1.00 0.00 H new ATOM 0 HA ALA A 15 6.535 -8.474 -2.339 1.00 0.00 H new ATOM 0 HB1 ALA A 15 4.036 -8.666 -2.992 1.00 0.00 H new ATOM 0 HB2 ALA A 15 5.104 -9.178 -4.321 1.00 0.00 H new ATOM 0 HB3 ALA A 15 4.298 -10.398 -3.306 1.00 0.00 H new ATOM 206 N GLU A 16 4.613 -8.562 -0.574 1.00 0.00 N ATOM 207 CA GLU A 16 3.949 -8.441 0.764 1.00 0.00 C ATOM 208 C GLU A 16 2.532 -7.898 0.535 1.00 0.00 C ATOM 209 O GLU A 16 2.358 -6.832 -0.027 1.00 0.00 O ATOM 210 CB GLU A 16 4.732 -7.461 1.671 1.00 0.00 C ATOM 211 CG GLU A 16 6.087 -8.099 1.995 1.00 0.00 C ATOM 212 CD GLU A 16 6.990 -7.208 2.870 1.00 0.00 C ATOM 213 OE1 GLU A 16 6.468 -6.530 3.738 1.00 0.00 O ATOM 214 OE2 GLU A 16 8.181 -7.267 2.612 1.00 0.00 O ATOM 0 H GLU A 16 4.361 -7.812 -1.217 1.00 0.00 H new ATOM 0 HA GLU A 16 3.922 -9.414 1.254 1.00 0.00 H new ATOM 0 HB2 GLU A 16 4.871 -6.504 1.168 1.00 0.00 H new ATOM 0 HB3 GLU A 16 4.176 -7.261 2.587 1.00 0.00 H new ATOM 0 HG2 GLU A 16 5.921 -9.047 2.506 1.00 0.00 H new ATOM 0 HG3 GLU A 16 6.606 -8.325 1.063 1.00 0.00 H new ATOM 221 N ARG A 17 1.562 -8.658 0.978 1.00 0.00 N ATOM 222 CA ARG A 17 0.134 -8.274 0.830 1.00 0.00 C ATOM 223 C ARG A 17 -0.420 -7.691 2.135 1.00 0.00 C ATOM 224 O ARG A 17 -0.768 -8.417 3.047 1.00 0.00 O ATOM 225 CB ARG A 17 -0.627 -9.534 0.410 1.00 0.00 C ATOM 226 CG ARG A 17 -0.196 -9.922 -1.021 1.00 0.00 C ATOM 227 CD ARG A 17 -0.923 -11.195 -1.484 1.00 0.00 C ATOM 228 NE ARG A 17 -0.547 -12.330 -0.583 1.00 0.00 N ATOM 229 CZ ARG A 17 -0.869 -13.566 -0.872 1.00 0.00 C ATOM 230 NH1 ARG A 17 -1.530 -13.843 -1.965 1.00 0.00 N ATOM 231 NH2 ARG A 17 -0.510 -14.504 -0.042 1.00 0.00 N ATOM 0 H ARG A 17 1.710 -9.551 1.448 1.00 0.00 H new ATOM 0 HA ARG A 17 0.020 -7.494 0.077 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -0.417 -10.350 1.102 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -1.702 -9.355 0.445 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -0.415 -9.103 -1.706 1.00 0.00 H new ATOM 0 HG3 ARG A 17 0.882 -10.082 -1.050 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -2.002 -11.040 -1.463 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -0.654 -11.428 -2.514 1.00 0.00 H new ATOM 0 HE ARG A 17 -0.029 -12.136 0.274 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -1.800 -13.093 -2.602 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -1.776 -14.809 -2.181 1.00 0.00 H new ATOM 0 HH21 ARG A 17 0.007 -14.266 0.804 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -0.746 -15.477 -0.239 1.00 0.00 H new ATOM 245 N TYR A 18 -0.481 -6.384 2.175 1.00 0.00 N ATOM 246 CA TYR A 18 -1.003 -5.684 3.389 1.00 0.00 C ATOM 247 C TYR A 18 -2.534 -5.692 3.312 1.00 0.00 C ATOM 248 O TYR A 18 -3.119 -4.808 2.723 1.00 0.00 O ATOM 249 CB TYR A 18 -0.477 -4.234 3.409 1.00 0.00 C ATOM 250 CG TYR A 18 1.048 -4.222 3.582 1.00 0.00 C ATOM 251 CD1 TYR A 18 1.598 -4.250 4.847 1.00 0.00 C ATOM 252 CD2 TYR A 18 1.890 -4.178 2.489 1.00 0.00 C ATOM 253 CE1 TYR A 18 2.965 -4.233 5.019 1.00 0.00 C ATOM 254 CE2 TYR A 18 3.255 -4.161 2.663 1.00 0.00 C ATOM 255 CZ TYR A 18 3.803 -4.188 3.926 1.00 0.00 C ATOM 256 OH TYR A 18 5.172 -4.166 4.089 1.00 0.00 O ATOM 0 H TYR A 18 -0.190 -5.768 1.415 1.00 0.00 H new ATOM 0 HA TYR A 18 -0.672 -6.184 4.299 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -0.748 -3.729 2.482 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -0.946 -3.681 4.223 1.00 0.00 H new ATOM 0 HD1 TYR A 18 0.951 -4.286 5.711 1.00 0.00 H new ATOM 0 HD2 TYR A 18 1.475 -4.157 1.492 1.00 0.00 H new ATOM 0 HE1 TYR A 18 3.382 -4.255 6.015 1.00 0.00 H new ATOM 0 HE2 TYR A 18 3.903 -4.126 1.800 1.00 0.00 H new ATOM 0 HH TYR A 18 5.539 -5.054 3.894 1.00 0.00 H new ATOM 266 N SER A 19 -3.141 -6.688 3.906 1.00 0.00 N ATOM 267 CA SER A 19 -4.635 -6.792 3.888 1.00 0.00 C ATOM 268 C SER A 19 -5.272 -6.372 5.219 1.00 0.00 C ATOM 269 O SER A 19 -6.378 -5.865 5.230 1.00 0.00 O ATOM 270 CB SER A 19 -4.987 -8.241 3.547 1.00 0.00 C ATOM 271 OG SER A 19 -6.405 -8.269 3.461 1.00 0.00 O ATOM 0 H SER A 19 -2.665 -7.439 4.406 1.00 0.00 H new ATOM 0 HA SER A 19 -5.035 -6.106 3.142 1.00 0.00 H new ATOM 0 HB2 SER A 19 -4.529 -8.547 2.606 1.00 0.00 H new ATOM 0 HB3 SER A 19 -4.625 -8.925 4.315 1.00 0.00 H new ATOM 0 HG SER A 19 -6.724 -7.440 3.047 1.00 0.00 H new ATOM 277 N LYS A 20 -4.562 -6.597 6.297 1.00 0.00 N ATOM 278 CA LYS A 20 -5.079 -6.230 7.656 1.00 0.00 C ATOM 279 C LYS A 20 -5.335 -4.713 7.709 1.00 0.00 C ATOM 280 O LYS A 20 -4.457 -3.939 7.376 1.00 0.00 O ATOM 281 CB LYS A 20 -4.021 -6.646 8.697 1.00 0.00 C ATOM 282 CG LYS A 20 -4.542 -6.384 10.126 1.00 0.00 C ATOM 283 CD LYS A 20 -3.455 -6.804 11.139 1.00 0.00 C ATOM 284 CE LYS A 20 -3.957 -6.579 12.577 1.00 0.00 C ATOM 285 NZ LYS A 20 -5.155 -7.424 12.850 1.00 0.00 N ATOM 0 H LYS A 20 -3.636 -7.024 6.295 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.018 -6.741 7.869 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -3.780 -7.703 8.579 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -3.099 -6.089 8.531 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -4.786 -5.329 10.251 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -5.459 -6.946 10.302 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -3.199 -7.854 10.995 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -2.546 -6.228 10.969 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -3.165 -6.820 13.287 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -4.206 -5.528 12.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -5.299 -7.501 13.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -5.993 -6.989 12.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -5.010 -8.372 12.449 1.00 0.00 H new ATOM 299 N CYS A 21 -6.522 -4.330 8.119 1.00 0.00 N ATOM 300 CA CYS A 21 -6.848 -2.881 8.195 1.00 0.00 C ATOM 301 C CYS A 21 -6.075 -2.190 9.324 1.00 0.00 C ATOM 302 O CYS A 21 -6.157 -2.583 10.473 1.00 0.00 O ATOM 303 CB CYS A 21 -8.354 -2.720 8.419 1.00 0.00 C ATOM 304 SG CYS A 21 -9.122 -3.267 9.963 1.00 0.00 S ATOM 0 H CYS A 21 -7.272 -4.960 8.402 1.00 0.00 H new ATOM 0 HA CYS A 21 -6.555 -2.409 7.257 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -8.584 -1.661 8.304 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -8.857 -3.245 7.607 1.00 0.00 H new ATOM 309 N GLY A 22 -5.345 -1.175 8.939 1.00 0.00 N ATOM 310 CA GLY A 22 -4.525 -0.388 9.910 1.00 0.00 C ATOM 311 C GLY A 22 -3.364 0.296 9.182 1.00 0.00 C ATOM 312 O GLY A 22 -3.183 0.105 7.994 1.00 0.00 O ATOM 0 H GLY A 22 -5.281 -0.852 7.974 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -5.147 0.359 10.402 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -4.140 -1.045 10.690 1.00 0.00 H new ATOM 316 N CYS A 23 -2.617 1.073 9.926 1.00 0.00 N ATOM 317 CA CYS A 23 -1.443 1.813 9.364 1.00 0.00 C ATOM 318 C CYS A 23 -0.219 0.876 9.308 1.00 0.00 C ATOM 319 O CYS A 23 0.699 0.992 10.098 1.00 0.00 O ATOM 320 CB CYS A 23 -1.180 3.028 10.269 1.00 0.00 C ATOM 321 SG CYS A 23 -2.581 4.128 10.576 1.00 0.00 S ATOM 0 H CYS A 23 -2.775 1.229 10.922 1.00 0.00 H new ATOM 0 HA CYS A 23 -1.641 2.154 8.348 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -0.816 2.664 11.230 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -0.376 3.616 9.825 1.00 0.00 H new ATOM 326 N SER A 24 -0.247 -0.031 8.363 1.00 0.00 N ATOM 327 CA SER A 24 0.876 -1.009 8.200 1.00 0.00 C ATOM 328 C SER A 24 1.992 -0.399 7.343 1.00 0.00 C ATOM 329 O SER A 24 1.731 0.153 6.295 1.00 0.00 O ATOM 330 CB SER A 24 0.317 -2.284 7.544 1.00 0.00 C ATOM 331 OG SER A 24 -0.191 -1.876 6.282 1.00 0.00 O ATOM 0 H SER A 24 -1.007 -0.137 7.691 1.00 0.00 H new ATOM 0 HA SER A 24 1.303 -1.255 9.172 1.00 0.00 H new ATOM 0 HB2 SER A 24 1.096 -3.038 7.427 1.00 0.00 H new ATOM 0 HB3 SER A 24 -0.467 -2.728 8.157 1.00 0.00 H new ATOM 0 HG SER A 24 0.189 -2.442 5.578 1.00 0.00 H new ATOM 337 N ALA A 25 3.206 -0.521 7.815 1.00 0.00 N ATOM 338 CA ALA A 25 4.372 0.041 7.068 1.00 0.00 C ATOM 339 C ALA A 25 4.858 -0.815 5.890 1.00 0.00 C ATOM 340 O ALA A 25 4.864 -2.028 5.963 1.00 0.00 O ATOM 341 CB ALA A 25 5.520 0.241 8.061 1.00 0.00 C ATOM 0 H ALA A 25 3.441 -0.988 8.691 1.00 0.00 H new ATOM 0 HA ALA A 25 4.038 0.978 6.623 1.00 0.00 H new ATOM 0 HB1 ALA A 25 6.385 0.651 7.540 1.00 0.00 H new ATOM 0 HB2 ALA A 25 5.207 0.932 8.844 1.00 0.00 H new ATOM 0 HB3 ALA A 25 5.786 -0.717 8.507 1.00 0.00 H new ATOM 347 N ILE A 26 5.252 -0.128 4.841 1.00 0.00 N ATOM 348 CA ILE A 26 5.759 -0.797 3.598 1.00 0.00 C ATOM 349 C ILE A 26 7.252 -0.465 3.465 1.00 0.00 C ATOM 350 O ILE A 26 7.684 0.591 3.884 1.00 0.00 O ATOM 351 CB ILE A 26 5.009 -0.270 2.324 1.00 0.00 C ATOM 352 CG1 ILE A 26 3.495 -0.047 2.597 1.00 0.00 C ATOM 353 CG2 ILE A 26 5.156 -1.303 1.201 1.00 0.00 C ATOM 354 CD1 ILE A 26 3.280 1.424 2.995 1.00 0.00 C ATOM 0 H ILE A 26 5.243 0.891 4.794 1.00 0.00 H new ATOM 0 HA ILE A 26 5.590 -1.871 3.673 1.00 0.00 H new ATOM 0 HB ILE A 26 5.451 0.686 2.043 1.00 0.00 H new ATOM 0 HG12 ILE A 26 2.911 -0.288 1.709 1.00 0.00 H new ATOM 0 HG13 ILE A 26 3.153 -0.708 3.393 1.00 0.00 H new ATOM 0 HG21 ILE A 26 4.639 -0.948 0.310 1.00 0.00 H new ATOM 0 HG22 ILE A 26 6.213 -1.446 0.974 1.00 0.00 H new ATOM 0 HG23 ILE A 26 4.722 -2.251 1.519 1.00 0.00 H new ATOM 0 HD11 ILE A 26 2.222 1.597 3.190 1.00 0.00 H new ATOM 0 HD12 ILE A 26 3.856 1.646 3.894 1.00 0.00 H new ATOM 0 HD13 ILE A 26 3.610 2.072 2.183 1.00 0.00 H new ATOM 366 N HIS A 27 7.992 -1.380 2.886 1.00 0.00 N ATOM 367 CA HIS A 27 9.466 -1.177 2.695 1.00 0.00 C ATOM 368 C HIS A 27 9.929 -1.752 1.346 1.00 0.00 C ATOM 369 O HIS A 27 11.110 -1.926 1.116 1.00 0.00 O ATOM 370 CB HIS A 27 10.221 -1.874 3.846 1.00 0.00 C ATOM 371 CG HIS A 27 9.752 -1.299 5.184 1.00 0.00 C ATOM 372 ND1 HIS A 27 8.741 -1.737 5.858 1.00 0.00 N ATOM 373 CD2 HIS A 27 10.246 -0.253 5.944 1.00 0.00 C ATOM 374 CE1 HIS A 27 8.606 -1.039 6.939 1.00 0.00 C ATOM 375 NE2 HIS A 27 9.520 -0.105 7.034 1.00 0.00 N ATOM 0 H HIS A 27 7.635 -2.268 2.534 1.00 0.00 H new ATOM 0 HA HIS A 27 9.680 -0.108 2.699 1.00 0.00 H new ATOM 0 HB2 HIS A 27 10.040 -2.948 3.816 1.00 0.00 H new ATOM 0 HB3 HIS A 27 11.295 -1.728 3.732 1.00 0.00 H new ATOM 0 HD2 HIS A 27 11.101 0.353 5.682 1.00 0.00 H new ATOM 0 HE1 HIS A 27 7.833 -1.206 7.674 1.00 0.00 H new ATOM 0 HE2 HIS A 27 9.642 0.580 7.780 1.00 0.00 H new ATOM 383 N GLN A 28 8.972 -2.023 0.494 1.00 0.00 N ATOM 384 CA GLN A 28 9.256 -2.590 -0.861 1.00 0.00 C ATOM 385 C GLN A 28 9.122 -1.481 -1.909 1.00 0.00 C ATOM 386 O GLN A 28 8.030 -1.083 -2.257 1.00 0.00 O ATOM 387 CB GLN A 28 8.251 -3.718 -1.143 1.00 0.00 C ATOM 388 CG GLN A 28 8.496 -4.919 -0.207 1.00 0.00 C ATOM 389 CD GLN A 28 8.173 -4.569 1.256 1.00 0.00 C ATOM 390 OE1 GLN A 28 7.074 -4.176 1.593 1.00 0.00 O ATOM 391 NE2 GLN A 28 9.105 -4.699 2.160 1.00 0.00 N ATOM 0 H GLN A 28 7.982 -1.871 0.686 1.00 0.00 H new ATOM 0 HA GLN A 28 10.269 -2.991 -0.902 1.00 0.00 H new ATOM 0 HB2 GLN A 28 7.235 -3.348 -1.008 1.00 0.00 H new ATOM 0 HB3 GLN A 28 8.338 -4.037 -2.182 1.00 0.00 H new ATOM 0 HG2 GLN A 28 7.881 -5.761 -0.525 1.00 0.00 H new ATOM 0 HG3 GLN A 28 9.536 -5.236 -0.285 1.00 0.00 H new ATOM 0 HE21 GLN A 28 10.033 -5.028 1.892 1.00 0.00 H new ATOM 0 HE22 GLN A 28 8.906 -4.472 3.134 1.00 0.00 H new ATOM 400 N LYS A 29 10.254 -1.021 -2.376 1.00 0.00 N ATOM 401 CA LYS A 29 10.308 0.063 -3.398 1.00 0.00 C ATOM 402 C LYS A 29 10.300 -0.501 -4.834 1.00 0.00 C ATOM 403 O LYS A 29 11.216 -0.265 -5.600 1.00 0.00 O ATOM 404 CB LYS A 29 11.590 0.883 -3.141 1.00 0.00 C ATOM 405 CG LYS A 29 11.534 1.736 -1.845 1.00 0.00 C ATOM 406 CD LYS A 29 11.534 0.875 -0.556 1.00 0.00 C ATOM 407 CE LYS A 29 11.808 1.805 0.642 1.00 0.00 C ATOM 408 NZ LYS A 29 11.838 1.031 1.914 1.00 0.00 N ATOM 0 H LYS A 29 11.169 -1.363 -2.081 1.00 0.00 H new ATOM 0 HA LYS A 29 9.423 0.693 -3.310 1.00 0.00 H new ATOM 0 HB2 LYS A 29 12.440 0.203 -3.082 1.00 0.00 H new ATOM 0 HB3 LYS A 29 11.767 1.541 -3.992 1.00 0.00 H new ATOM 0 HG2 LYS A 29 12.388 2.412 -1.824 1.00 0.00 H new ATOM 0 HG3 LYS A 29 10.637 2.355 -1.862 1.00 0.00 H new ATOM 0 HD2 LYS A 29 10.575 0.371 -0.435 1.00 0.00 H new ATOM 0 HD3 LYS A 29 12.297 0.099 -0.617 1.00 0.00 H new ATOM 0 HE2 LYS A 29 12.759 2.318 0.500 1.00 0.00 H new ATOM 0 HE3 LYS A 29 11.037 2.573 0.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 11.111 1.398 2.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 11.649 0.028 1.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 12.775 1.126 2.356 1.00 0.00 H new ATOM 422 N GLY A 30 9.266 -1.234 -5.162 1.00 0.00 N ATOM 423 CA GLY A 30 9.157 -1.832 -6.534 1.00 0.00 C ATOM 424 C GLY A 30 7.870 -1.407 -7.229 1.00 0.00 C ATOM 425 O GLY A 30 7.872 -0.541 -8.082 1.00 0.00 O ATOM 0 H GLY A 30 8.488 -1.447 -4.538 1.00 0.00 H new ATOM 0 HA2 GLY A 30 10.014 -1.526 -7.134 1.00 0.00 H new ATOM 0 HA3 GLY A 30 9.191 -2.919 -6.462 1.00 0.00 H new ATOM 429 N GLY A 31 6.808 -2.052 -6.830 1.00 0.00 N ATOM 430 CA GLY A 31 5.458 -1.770 -7.400 1.00 0.00 C ATOM 431 C GLY A 31 4.407 -2.165 -6.371 1.00 0.00 C ATOM 432 O GLY A 31 4.752 -2.691 -5.332 1.00 0.00 O ATOM 0 H GLY A 31 6.819 -2.780 -6.116 1.00 0.00 H new ATOM 0 HA2 GLY A 31 5.365 -0.713 -7.649 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.313 -2.330 -8.324 1.00 0.00 H new ATOM 436 N TYR A 32 3.161 -1.898 -6.669 1.00 0.00 N ATOM 437 CA TYR A 32 2.073 -2.261 -5.710 1.00 0.00 C ATOM 438 C TYR A 32 0.684 -2.323 -6.348 1.00 0.00 C ATOM 439 O TYR A 32 0.281 -1.427 -7.060 1.00 0.00 O ATOM 440 CB TYR A 32 2.077 -1.242 -4.548 1.00 0.00 C ATOM 441 CG TYR A 32 2.081 0.194 -5.079 1.00 0.00 C ATOM 442 CD1 TYR A 32 0.905 0.850 -5.371 1.00 0.00 C ATOM 443 CD2 TYR A 32 3.278 0.847 -5.267 1.00 0.00 C ATOM 444 CE1 TYR A 32 0.928 2.140 -5.842 1.00 0.00 C ATOM 445 CE2 TYR A 32 3.302 2.136 -5.738 1.00 0.00 C ATOM 446 CZ TYR A 32 2.128 2.796 -6.030 1.00 0.00 C ATOM 447 OH TYR A 32 2.155 4.093 -6.501 1.00 0.00 O ATOM 0 H TYR A 32 2.851 -1.447 -7.530 1.00 0.00 H new ATOM 0 HA TYR A 32 2.281 -3.269 -5.351 1.00 0.00 H new ATOM 0 HB2 TYR A 32 1.201 -1.399 -3.919 1.00 0.00 H new ATOM 0 HB3 TYR A 32 2.953 -1.404 -3.920 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -0.040 0.347 -5.229 1.00 0.00 H new ATOM 0 HD2 TYR A 32 4.205 0.341 -5.042 1.00 0.00 H new ATOM 0 HE1 TYR A 32 0.000 2.645 -6.067 1.00 0.00 H new ATOM 0 HE2 TYR A 32 4.248 2.637 -5.881 1.00 0.00 H new ATOM 0 HH TYR A 32 2.135 4.716 -5.745 1.00 0.00 H new ATOM 457 N ASP A 33 -0.006 -3.399 -6.062 1.00 0.00 N ATOM 458 CA ASP A 33 -1.379 -3.608 -6.608 1.00 0.00 C ATOM 459 C ASP A 33 -2.428 -3.629 -5.497 1.00 0.00 C ATOM 460 O ASP A 33 -2.554 -4.609 -4.787 1.00 0.00 O ATOM 461 CB ASP A 33 -1.429 -4.955 -7.378 1.00 0.00 C ATOM 462 CG ASP A 33 -0.674 -4.918 -8.729 1.00 0.00 C ATOM 463 OD1 ASP A 33 0.208 -4.095 -8.888 1.00 0.00 O ATOM 464 OD2 ASP A 33 -1.034 -5.742 -9.552 1.00 0.00 O ATOM 0 H ASP A 33 0.331 -4.153 -5.463 1.00 0.00 H new ATOM 0 HA ASP A 33 -1.605 -2.777 -7.277 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -1.002 -5.739 -6.753 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -2.470 -5.223 -7.559 1.00 0.00 H new ATOM 469 N PHE A 34 -3.153 -2.545 -5.374 1.00 0.00 N ATOM 470 CA PHE A 34 -4.207 -2.479 -4.322 1.00 0.00 C ATOM 471 C PHE A 34 -5.412 -3.262 -4.847 1.00 0.00 C ATOM 472 O PHE A 34 -5.580 -3.401 -6.043 1.00 0.00 O ATOM 473 CB PHE A 34 -4.621 -1.015 -4.060 1.00 0.00 C ATOM 474 CG PHE A 34 -5.605 -1.001 -2.872 1.00 0.00 C ATOM 475 CD1 PHE A 34 -5.121 -1.147 -1.587 1.00 0.00 C ATOM 476 CD2 PHE A 34 -6.968 -0.852 -3.060 1.00 0.00 C ATOM 477 CE1 PHE A 34 -5.973 -1.148 -0.506 1.00 0.00 C ATOM 478 CE2 PHE A 34 -7.825 -0.853 -1.975 1.00 0.00 C ATOM 479 CZ PHE A 34 -7.326 -1.001 -0.698 1.00 0.00 C ATOM 0 H PHE A 34 -3.060 -1.710 -5.953 1.00 0.00 H new ATOM 0 HA PHE A 34 -3.836 -2.897 -3.386 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -3.745 -0.406 -3.836 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -5.089 -0.587 -4.947 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -4.059 -1.262 -1.428 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -7.364 -0.734 -4.058 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -5.579 -1.264 0.493 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -8.888 -0.738 -2.128 1.00 0.00 H new ATOM 0 HZ PHE A 34 -7.996 -1.001 0.149 1.00 0.00 H new ATOM 489 N SER A 35 -6.203 -3.751 -3.930 1.00 0.00 N ATOM 490 CA SER A 35 -7.419 -4.533 -4.299 1.00 0.00 C ATOM 491 C SER A 35 -8.529 -4.178 -3.319 1.00 0.00 C ATOM 492 O SER A 35 -8.537 -4.627 -2.191 1.00 0.00 O ATOM 493 CB SER A 35 -7.092 -6.037 -4.222 1.00 0.00 C ATOM 494 OG SER A 35 -6.043 -6.225 -5.162 1.00 0.00 O ATOM 0 H SER A 35 -6.056 -3.640 -2.927 1.00 0.00 H new ATOM 0 HA SER A 35 -7.740 -4.297 -5.313 1.00 0.00 H new ATOM 0 HB2 SER A 35 -6.780 -6.324 -3.218 1.00 0.00 H new ATOM 0 HB3 SER A 35 -7.962 -6.645 -4.472 1.00 0.00 H new ATOM 0 HG SER A 35 -5.776 -7.168 -5.170 1.00 0.00 H new ATOM 500 N TYR A 36 -9.438 -3.368 -3.792 1.00 0.00 N ATOM 501 CA TYR A 36 -10.586 -2.930 -2.951 1.00 0.00 C ATOM 502 C TYR A 36 -11.621 -4.064 -2.879 1.00 0.00 C ATOM 503 O TYR A 36 -12.229 -4.408 -3.875 1.00 0.00 O ATOM 504 CB TYR A 36 -11.194 -1.685 -3.590 1.00 0.00 C ATOM 505 CG TYR A 36 -12.386 -1.190 -2.760 1.00 0.00 C ATOM 506 CD1 TYR A 36 -12.196 -0.338 -1.691 1.00 0.00 C ATOM 507 CD2 TYR A 36 -13.669 -1.591 -3.078 1.00 0.00 C ATOM 508 CE1 TYR A 36 -13.274 0.104 -0.955 1.00 0.00 C ATOM 509 CE2 TYR A 36 -14.744 -1.148 -2.339 1.00 0.00 C ATOM 510 CZ TYR A 36 -14.552 -0.296 -1.272 1.00 0.00 C ATOM 511 OH TYR A 36 -15.625 0.151 -0.530 1.00 0.00 O ATOM 0 H TYR A 36 -9.432 -2.987 -4.738 1.00 0.00 H new ATOM 0 HA TYR A 36 -10.260 -2.696 -1.937 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -10.441 -0.900 -3.662 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -11.518 -1.910 -4.606 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -11.199 -0.016 -1.430 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -13.831 -2.257 -3.913 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -13.114 0.771 -0.121 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -15.742 -1.470 -2.597 1.00 0.00 H new ATOM 0 HH TYR A 36 -16.453 -0.228 -0.891 1.00 0.00 H new ATOM 521 N THR A 37 -11.784 -4.608 -1.700 1.00 0.00 N ATOM 522 CA THR A 37 -12.763 -5.722 -1.488 1.00 0.00 C ATOM 523 C THR A 37 -13.355 -5.588 -0.080 1.00 0.00 C ATOM 524 O THR A 37 -14.534 -5.804 0.123 1.00 0.00 O ATOM 525 CB THR A 37 -12.046 -7.103 -1.634 1.00 0.00 C ATOM 526 OG1 THR A 37 -11.007 -7.128 -0.663 1.00 0.00 O ATOM 527 CG2 THR A 37 -11.306 -7.241 -2.981 1.00 0.00 C ATOM 0 H THR A 37 -11.274 -4.325 -0.863 1.00 0.00 H new ATOM 0 HA THR A 37 -13.556 -5.665 -2.234 1.00 0.00 H new ATOM 0 HB THR A 37 -12.801 -7.883 -1.537 1.00 0.00 H new ATOM 0 HG1 THR A 37 -10.529 -7.982 -0.717 1.00 0.00 H new ATOM 0 HG21 THR A 37 -10.825 -8.218 -3.033 1.00 0.00 H new ATOM 0 HG22 THR A 37 -12.019 -7.144 -3.800 1.00 0.00 H new ATOM 0 HG23 THR A 37 -10.551 -6.459 -3.063 1.00 0.00 H new ATOM 535 N GLY A 38 -12.498 -5.232 0.845 1.00 0.00 N ATOM 536 CA GLY A 38 -12.914 -5.057 2.267 1.00 0.00 C ATOM 537 C GLY A 38 -13.305 -3.602 2.503 1.00 0.00 C ATOM 538 O GLY A 38 -14.440 -3.319 2.838 1.00 0.00 O ATOM 0 H GLY A 38 -11.510 -5.053 0.669 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -13.754 -5.713 2.495 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -12.099 -5.339 2.934 1.00 0.00 H new ATOM 542 N GLN A 39 -12.352 -2.718 2.323 1.00 0.00 N ATOM 543 CA GLN A 39 -12.638 -1.265 2.533 1.00 0.00 C ATOM 544 C GLN A 39 -11.588 -0.387 1.822 1.00 0.00 C ATOM 545 O GLN A 39 -10.651 -0.883 1.225 1.00 0.00 O ATOM 546 CB GLN A 39 -12.641 -1.004 4.062 1.00 0.00 C ATOM 547 CG GLN A 39 -13.635 0.106 4.463 1.00 0.00 C ATOM 548 CD GLN A 39 -15.048 -0.328 4.091 1.00 0.00 C ATOM 549 OE1 GLN A 39 -15.594 -1.268 4.806 1.00 0.00 O flip ATOM 550 NE2 GLN A 39 -15.658 0.172 3.166 1.00 0.00 N flip ATOM 0 H GLN A 39 -11.397 -2.938 2.042 1.00 0.00 H new ATOM 0 HA GLN A 39 -13.606 -1.005 2.105 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -12.897 -1.925 4.585 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -11.638 -0.724 4.383 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -13.571 0.298 5.534 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -13.382 1.037 3.956 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -15.225 0.909 2.609 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -16.602 -0.145 2.947 1.00 0.00 H new ATOM 559 N THR A 40 -11.790 0.906 1.917 1.00 0.00 N ATOM 560 CA THR A 40 -10.880 1.918 1.296 1.00 0.00 C ATOM 561 C THR A 40 -9.488 1.909 1.954 1.00 0.00 C ATOM 562 O THR A 40 -9.277 1.207 2.924 1.00 0.00 O ATOM 563 CB THR A 40 -11.531 3.306 1.454 1.00 0.00 C ATOM 564 OG1 THR A 40 -11.760 3.444 2.851 1.00 0.00 O ATOM 565 CG2 THR A 40 -12.934 3.373 0.819 1.00 0.00 C ATOM 0 H THR A 40 -12.579 1.314 2.419 1.00 0.00 H new ATOM 0 HA THR A 40 -10.739 1.675 0.243 1.00 0.00 H new ATOM 0 HB THR A 40 -10.890 4.057 0.992 1.00 0.00 H new ATOM 0 HG1 THR A 40 -12.175 4.313 3.030 1.00 0.00 H new ATOM 0 HG21 THR A 40 -13.349 4.371 0.958 1.00 0.00 H new ATOM 0 HG22 THR A 40 -12.862 3.155 -0.247 1.00 0.00 H new ATOM 0 HG23 THR A 40 -13.585 2.640 1.296 1.00 0.00 H new ATOM 573 N ALA A 41 -8.580 2.685 1.410 1.00 0.00 N ATOM 574 CA ALA A 41 -7.197 2.744 1.983 1.00 0.00 C ATOM 575 C ALA A 41 -6.422 4.003 1.564 1.00 0.00 C ATOM 576 O ALA A 41 -6.266 4.279 0.390 1.00 0.00 O ATOM 577 CB ALA A 41 -6.418 1.501 1.534 1.00 0.00 C ATOM 0 H ALA A 41 -8.736 3.279 0.596 1.00 0.00 H new ATOM 0 HA ALA A 41 -7.299 2.779 3.068 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -5.410 1.535 1.946 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -6.926 0.605 1.891 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.364 1.479 0.446 1.00 0.00 H new ATOM 583 N ALA A 42 -5.958 4.725 2.556 1.00 0.00 N ATOM 584 CA ALA A 42 -5.176 5.982 2.326 1.00 0.00 C ATOM 585 C ALA A 42 -3.687 5.596 2.362 1.00 0.00 C ATOM 586 O ALA A 42 -3.376 4.495 2.775 1.00 0.00 O ATOM 587 CB ALA A 42 -5.518 6.973 3.439 1.00 0.00 C ATOM 0 H ALA A 42 -6.092 4.490 3.539 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.411 6.449 1.369 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -4.958 7.896 3.289 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -6.586 7.189 3.418 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.254 6.541 4.404 1.00 0.00 H new ATOM 593 N LEU A 43 -2.806 6.477 1.945 1.00 0.00 N ATOM 594 CA LEU A 43 -1.350 6.124 1.963 1.00 0.00 C ATOM 595 C LEU A 43 -0.493 7.212 2.637 1.00 0.00 C ATOM 596 O LEU A 43 -0.244 8.253 2.062 1.00 0.00 O ATOM 597 CB LEU A 43 -0.882 5.911 0.503 1.00 0.00 C ATOM 598 CG LEU A 43 0.147 4.756 0.354 1.00 0.00 C ATOM 599 CD1 LEU A 43 1.083 4.635 1.572 1.00 0.00 C ATOM 600 CD2 LEU A 43 -0.607 3.439 0.255 1.00 0.00 C ATOM 0 H LEU A 43 -3.028 7.410 1.598 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.222 5.214 2.549 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.749 5.700 -0.123 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.438 6.835 0.132 1.00 0.00 H new ATOM 0 HG LEU A 43 0.742 4.973 -0.533 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.781 3.813 1.414 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.639 5.564 1.697 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.492 4.443 2.467 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.104 2.620 0.150 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.201 3.291 1.157 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.266 3.461 -0.613 1.00 0.00 H new ATOM 612 N TYR A 44 -0.059 6.935 3.839 1.00 0.00 N ATOM 613 CA TYR A 44 0.783 7.902 4.618 1.00 0.00 C ATOM 614 C TYR A 44 2.298 7.847 4.361 1.00 0.00 C ATOM 615 O TYR A 44 2.872 6.811 4.077 1.00 0.00 O ATOM 616 CB TYR A 44 0.501 7.664 6.110 1.00 0.00 C ATOM 617 CG TYR A 44 -0.931 8.135 6.410 1.00 0.00 C ATOM 618 CD1 TYR A 44 -2.022 7.341 6.106 1.00 0.00 C ATOM 619 CD2 TYR A 44 -1.145 9.372 6.983 1.00 0.00 C ATOM 620 CE1 TYR A 44 -3.301 7.784 6.372 1.00 0.00 C ATOM 621 CE2 TYR A 44 -2.423 9.810 7.246 1.00 0.00 C ATOM 622 CZ TYR A 44 -3.510 9.020 6.943 1.00 0.00 C ATOM 623 OH TYR A 44 -4.789 9.462 7.204 1.00 0.00 O ATOM 0 H TYR A 44 -0.255 6.061 4.327 1.00 0.00 H new ATOM 0 HA TYR A 44 0.496 8.897 4.279 1.00 0.00 H new ATOM 0 HB2 TYR A 44 0.612 6.608 6.354 1.00 0.00 H new ATOM 0 HB3 TYR A 44 1.217 8.210 6.724 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -1.872 6.370 5.658 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -0.302 10.002 7.227 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -4.146 7.156 6.130 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -2.575 10.781 7.694 1.00 0.00 H new ATOM 0 HH TYR A 44 -4.751 10.354 7.608 1.00 0.00 H new ATOM 633 N ASN A 45 2.877 9.018 4.485 1.00 0.00 N ATOM 634 CA ASN A 45 4.349 9.222 4.285 1.00 0.00 C ATOM 635 C ASN A 45 5.076 9.192 5.643 1.00 0.00 C ATOM 636 O ASN A 45 6.221 9.593 5.735 1.00 0.00 O ATOM 637 CB ASN A 45 4.586 10.587 3.614 1.00 0.00 C ATOM 638 CG ASN A 45 3.822 10.679 2.292 1.00 0.00 C ATOM 639 OD1 ASN A 45 2.601 11.137 2.313 1.00 0.00 O flip ATOM 640 ND2 ASN A 45 4.321 10.340 1.236 1.00 0.00 N flip ATOM 0 H ASN A 45 2.371 9.871 4.725 1.00 0.00 H new ATOM 0 HA ASN A 45 4.738 8.424 3.653 1.00 0.00 H new ATOM 0 HB2 ASN A 45 4.265 11.387 4.282 1.00 0.00 H new ATOM 0 HB3 ASN A 45 5.652 10.730 3.435 1.00 0.00 H new ATOM 0 HD21 ASN A 45 5.276 9.981 1.215 1.00 0.00 H new ATOM 0 HD22 ASN A 45 3.785 10.414 0.371 1.00 0.00 H new ATOM 647 N GLN A 46 4.391 8.722 6.657 1.00 0.00 N ATOM 648 CA GLN A 46 4.992 8.643 8.027 1.00 0.00 C ATOM 649 C GLN A 46 4.595 7.312 8.667 1.00 0.00 C ATOM 650 O GLN A 46 3.479 6.855 8.503 1.00 0.00 O ATOM 651 CB GLN A 46 4.470 9.784 8.902 1.00 0.00 C ATOM 652 CG GLN A 46 4.716 11.168 8.262 1.00 0.00 C ATOM 653 CD GLN A 46 6.188 11.480 7.991 1.00 0.00 C ATOM 654 OE1 GLN A 46 7.103 10.858 8.497 1.00 0.00 O ATOM 655 NE2 GLN A 46 6.438 12.467 7.179 1.00 0.00 N ATOM 0 H GLN A 46 3.430 8.386 6.594 1.00 0.00 H new ATOM 0 HA GLN A 46 6.076 8.721 7.945 1.00 0.00 H new ATOM 0 HB2 GLN A 46 3.402 9.649 9.073 1.00 0.00 H new ATOM 0 HB3 GLN A 46 4.957 9.744 9.877 1.00 0.00 H new ATOM 0 HG2 GLN A 46 4.165 11.225 7.323 1.00 0.00 H new ATOM 0 HG3 GLN A 46 4.308 11.937 8.918 1.00 0.00 H new ATOM 0 HE21 GLN A 46 5.669 12.987 6.756 1.00 0.00 H new ATOM 0 HE22 GLN A 46 7.403 12.720 6.966 1.00 0.00 H new ATOM 664 N ALA A 47 5.536 6.739 9.377 1.00 0.00 N ATOM 665 CA ALA A 47 5.310 5.433 10.067 1.00 0.00 C ATOM 666 C ALA A 47 4.030 5.439 10.910 1.00 0.00 C ATOM 667 O ALA A 47 3.814 6.323 11.716 1.00 0.00 O ATOM 668 CB ALA A 47 6.515 5.136 10.967 1.00 0.00 C ATOM 0 H ALA A 47 6.469 7.130 9.509 1.00 0.00 H new ATOM 0 HA ALA A 47 5.195 4.662 9.306 1.00 0.00 H new ATOM 0 HB1 ALA A 47 6.363 4.185 11.477 1.00 0.00 H new ATOM 0 HB2 ALA A 47 7.418 5.081 10.359 1.00 0.00 H new ATOM 0 HB3 ALA A 47 6.622 5.930 11.706 1.00 0.00 H new ATOM 674 N GLY A 48 3.224 4.437 10.672 1.00 0.00 N ATOM 675 CA GLY A 48 1.930 4.283 11.406 1.00 0.00 C ATOM 676 C GLY A 48 1.063 5.550 11.349 1.00 0.00 C ATOM 677 O GLY A 48 0.641 6.053 12.373 1.00 0.00 O ATOM 0 H GLY A 48 3.411 3.705 9.987 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.373 3.447 10.982 1.00 0.00 H new ATOM 0 HA3 GLY A 48 2.135 4.034 12.447 1.00 0.00 H new ATOM 681 N CYS A 49 0.831 6.019 10.147 1.00 0.00 N ATOM 682 CA CYS A 49 0.002 7.248 9.914 1.00 0.00 C ATOM 683 C CYS A 49 0.437 8.476 10.745 1.00 0.00 C ATOM 684 O CYS A 49 -0.386 9.313 11.069 1.00 0.00 O ATOM 685 CB CYS A 49 -1.482 6.932 10.230 1.00 0.00 C ATOM 686 SG CYS A 49 -2.329 5.652 9.277 1.00 0.00 S ATOM 0 H CYS A 49 1.191 5.591 9.294 1.00 0.00 H new ATOM 0 HA CYS A 49 0.146 7.514 8.867 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -1.542 6.652 11.282 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -2.047 7.857 10.113 1.00 0.00 H new ATOM 691 N SER A 50 1.705 8.566 11.073 1.00 0.00 N ATOM 692 CA SER A 50 2.186 9.740 11.881 1.00 0.00 C ATOM 693 C SER A 50 2.437 10.988 11.013 1.00 0.00 C ATOM 694 O SER A 50 3.334 11.770 11.260 1.00 0.00 O ATOM 695 CB SER A 50 3.479 9.315 12.613 1.00 0.00 C ATOM 696 OG SER A 50 3.057 8.263 13.469 1.00 0.00 O ATOM 0 H SER A 50 2.423 7.887 10.821 1.00 0.00 H new ATOM 0 HA SER A 50 1.412 10.020 12.595 1.00 0.00 H new ATOM 0 HB2 SER A 50 4.242 8.978 11.912 1.00 0.00 H new ATOM 0 HB3 SER A 50 3.908 10.142 13.178 1.00 0.00 H new ATOM 0 HG SER A 50 3.231 7.400 13.038 1.00 0.00 H new ATOM 702 N GLY A 51 1.606 11.115 10.012 1.00 0.00 N ATOM 703 CA GLY A 51 1.675 12.253 9.047 1.00 0.00 C ATOM 704 C GLY A 51 0.345 12.393 8.310 1.00 0.00 C ATOM 705 O GLY A 51 -0.710 12.154 8.863 1.00 0.00 O ATOM 0 H GLY A 51 0.855 10.452 9.817 1.00 0.00 H new ATOM 0 HA2 GLY A 51 1.906 13.177 9.577 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.481 12.086 8.332 1.00 0.00 H new ATOM 709 N VAL A 52 0.468 12.784 7.067 1.00 0.00 N ATOM 710 CA VAL A 52 -0.693 12.982 6.163 1.00 0.00 C ATOM 711 C VAL A 52 -0.672 11.880 5.093 1.00 0.00 C ATOM 712 O VAL A 52 0.378 11.358 4.767 1.00 0.00 O ATOM 713 CB VAL A 52 -0.568 14.381 5.530 1.00 0.00 C ATOM 714 CG1 VAL A 52 -0.714 15.461 6.625 1.00 0.00 C ATOM 715 CG2 VAL A 52 0.796 14.563 4.814 1.00 0.00 C ATOM 0 H VAL A 52 1.368 12.981 6.629 1.00 0.00 H new ATOM 0 HA VAL A 52 -1.639 12.920 6.701 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.361 14.484 4.789 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -0.625 16.450 6.175 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -1.689 15.366 7.102 1.00 0.00 H new ATOM 0 HG13 VAL A 52 0.069 15.331 7.372 1.00 0.00 H new ATOM 0 HG21 VAL A 52 0.849 15.561 4.380 1.00 0.00 H new ATOM 0 HG22 VAL A 52 1.605 14.438 5.534 1.00 0.00 H new ATOM 0 HG23 VAL A 52 0.895 13.818 4.024 1.00 0.00 H new ATOM 725 N ALA A 53 -1.832 11.558 4.577 1.00 0.00 N ATOM 726 CA ALA A 53 -1.928 10.496 3.525 1.00 0.00 C ATOM 727 C ALA A 53 -1.361 10.987 2.181 1.00 0.00 C ATOM 728 O ALA A 53 -0.732 12.026 2.120 1.00 0.00 O ATOM 729 CB ALA A 53 -3.390 10.104 3.355 1.00 0.00 C ATOM 0 H ALA A 53 -2.720 11.986 4.839 1.00 0.00 H new ATOM 0 HA ALA A 53 -1.339 9.635 3.841 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -3.473 9.331 2.591 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -3.777 9.723 4.300 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -3.968 10.977 3.052 1.00 0.00 H new ATOM 735 N HIS A 54 -1.599 10.219 1.146 1.00 0.00 N ATOM 736 CA HIS A 54 -1.098 10.590 -0.211 1.00 0.00 C ATOM 737 C HIS A 54 -1.987 9.966 -1.294 1.00 0.00 C ATOM 738 O HIS A 54 -2.559 10.674 -2.098 1.00 0.00 O ATOM 739 CB HIS A 54 0.338 10.079 -0.343 1.00 0.00 C ATOM 740 CG HIS A 54 1.031 10.706 -1.556 1.00 0.00 C ATOM 741 ND1 HIS A 54 0.737 10.651 -2.908 1.00 0.00 N flip ATOM 742 CD2 HIS A 54 2.087 11.445 -1.489 1.00 0.00 C flip ATOM 743 CE1 HIS A 54 1.619 11.352 -3.592 1.00 0.00 C flip ATOM 744 NE2 HIS A 54 2.430 11.824 -2.678 1.00 0.00 N flip ATOM 0 H HIS A 54 -2.123 9.345 1.185 1.00 0.00 H new ATOM 0 HA HIS A 54 -1.124 11.672 -0.338 1.00 0.00 H new ATOM 0 HB2 HIS A 54 0.897 10.315 0.563 1.00 0.00 H new ATOM 0 HB3 HIS A 54 0.334 8.993 -0.442 1.00 0.00 H new ATOM 0 HD2 HIS A 54 2.606 11.707 -0.579 1.00 0.00 H new ATOM 0 HE1 HIS A 54 1.663 11.503 -4.661 1.00 0.00 H new ATOM 0 HE2 HIS A 54 3.234 12.418 -2.879 1.00 0.00 H new ATOM 752 N THR A 55 -2.067 8.657 -1.275 1.00 0.00 N ATOM 753 CA THR A 55 -2.897 7.921 -2.279 1.00 0.00 C ATOM 754 C THR A 55 -4.100 7.237 -1.625 1.00 0.00 C ATOM 755 O THR A 55 -3.955 6.394 -0.762 1.00 0.00 O ATOM 756 CB THR A 55 -2.010 6.867 -2.978 1.00 0.00 C ATOM 757 OG1 THR A 55 -0.981 7.626 -3.594 1.00 0.00 O ATOM 758 CG2 THR A 55 -2.742 6.212 -4.166 1.00 0.00 C ATOM 0 H THR A 55 -1.587 8.062 -0.600 1.00 0.00 H new ATOM 0 HA THR A 55 -3.282 8.637 -3.005 1.00 0.00 H new ATOM 0 HB THR A 55 -1.700 6.109 -2.258 1.00 0.00 H new ATOM 0 HG1 THR A 55 -0.135 7.135 -3.540 1.00 0.00 H new ATOM 0 HG21 THR A 55 -2.089 5.476 -4.635 1.00 0.00 H new ATOM 0 HG22 THR A 55 -3.647 5.720 -3.809 1.00 0.00 H new ATOM 0 HG23 THR A 55 -3.009 6.977 -4.895 1.00 0.00 H new ATOM 766 N ARG A 56 -5.258 7.639 -2.079 1.00 0.00 N ATOM 767 CA ARG A 56 -6.539 7.073 -1.557 1.00 0.00 C ATOM 768 C ARG A 56 -6.949 5.922 -2.482 1.00 0.00 C ATOM 769 O ARG A 56 -6.656 5.949 -3.664 1.00 0.00 O ATOM 770 CB ARG A 56 -7.621 8.172 -1.564 1.00 0.00 C ATOM 771 CG ARG A 56 -7.183 9.402 -0.723 1.00 0.00 C ATOM 772 CD ARG A 56 -7.023 9.047 0.773 1.00 0.00 C ATOM 773 NE ARG A 56 -8.320 8.505 1.293 1.00 0.00 N ATOM 774 CZ ARG A 56 -9.345 9.283 1.546 1.00 0.00 C ATOM 775 NH1 ARG A 56 -9.271 10.573 1.352 1.00 0.00 N ATOM 776 NH2 ARG A 56 -10.438 8.728 1.994 1.00 0.00 N ATOM 0 H ARG A 56 -5.373 8.349 -2.803 1.00 0.00 H new ATOM 0 HA ARG A 56 -6.420 6.710 -0.536 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -7.820 8.483 -2.590 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -8.553 7.770 -1.166 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -6.239 9.788 -1.108 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -7.920 10.197 -0.831 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -6.230 8.310 0.901 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -6.731 9.931 1.340 1.00 0.00 H new ATOM 0 HE ARG A 56 -8.408 7.502 1.455 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -8.408 10.987 0.999 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -10.076 11.166 1.553 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -10.476 7.719 2.137 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -11.254 9.303 2.201 1.00 0.00 H new ATOM 790 N PHE A 57 -7.613 4.945 -1.917 1.00 0.00 N ATOM 791 CA PHE A 57 -8.072 3.763 -2.709 1.00 0.00 C ATOM 792 C PHE A 57 -9.546 3.457 -2.436 1.00 0.00 C ATOM 793 O PHE A 57 -10.050 3.679 -1.352 1.00 0.00 O ATOM 794 CB PHE A 57 -7.229 2.524 -2.344 1.00 0.00 C ATOM 795 CG PHE A 57 -5.765 2.641 -2.824 1.00 0.00 C ATOM 796 CD1 PHE A 57 -5.469 2.954 -4.142 1.00 0.00 C ATOM 797 CD2 PHE A 57 -4.717 2.421 -1.946 1.00 0.00 C ATOM 798 CE1 PHE A 57 -4.160 3.044 -4.567 1.00 0.00 C ATOM 799 CE2 PHE A 57 -3.411 2.510 -2.373 1.00 0.00 C ATOM 800 CZ PHE A 57 -3.129 2.822 -3.684 1.00 0.00 C ATOM 0 H PHE A 57 -7.860 4.916 -0.928 1.00 0.00 H new ATOM 0 HA PHE A 57 -7.949 4.001 -3.766 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -7.243 2.385 -1.263 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -7.683 1.637 -2.786 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -6.272 3.129 -4.843 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -4.926 2.177 -0.915 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -3.944 3.290 -5.596 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -2.604 2.334 -1.677 1.00 0.00 H new ATOM 0 HZ PHE A 57 -2.104 2.892 -4.017 1.00 0.00 H new ATOM 810 N GLY A 58 -10.176 2.949 -3.463 1.00 0.00 N ATOM 811 CA GLY A 58 -11.622 2.575 -3.413 1.00 0.00 C ATOM 812 C GLY A 58 -11.936 1.532 -4.500 1.00 0.00 C ATOM 813 O GLY A 58 -13.047 1.046 -4.589 1.00 0.00 O ATOM 0 H GLY A 58 -9.733 2.772 -4.364 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -11.868 2.173 -2.430 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -12.240 3.461 -3.559 1.00 0.00 H new ATOM 817 N SER A 59 -10.933 1.233 -5.291 1.00 0.00 N ATOM 818 CA SER A 59 -11.035 0.242 -6.409 1.00 0.00 C ATOM 819 C SER A 59 -9.613 -0.273 -6.683 1.00 0.00 C ATOM 820 O SER A 59 -8.694 0.523 -6.732 1.00 0.00 O ATOM 821 CB SER A 59 -11.586 0.926 -7.675 1.00 0.00 C ATOM 822 OG SER A 59 -12.894 1.353 -7.321 1.00 0.00 O ATOM 0 H SER A 59 -10.009 1.655 -5.202 1.00 0.00 H new ATOM 0 HA SER A 59 -11.707 -0.573 -6.141 1.00 0.00 H new ATOM 0 HB2 SER A 59 -10.962 1.769 -7.972 1.00 0.00 H new ATOM 0 HB3 SER A 59 -11.611 0.235 -8.518 1.00 0.00 H new ATOM 0 HG SER A 59 -13.309 1.803 -8.086 1.00 0.00 H new ATOM 828 N SER A 60 -9.468 -1.568 -6.847 1.00 0.00 N ATOM 829 CA SER A 60 -8.134 -2.191 -7.122 1.00 0.00 C ATOM 830 C SER A 60 -7.224 -1.354 -8.050 1.00 0.00 C ATOM 831 O SER A 60 -7.552 -1.115 -9.195 1.00 0.00 O ATOM 832 CB SER A 60 -8.377 -3.588 -7.744 1.00 0.00 C ATOM 833 OG SER A 60 -9.119 -3.345 -8.932 1.00 0.00 O ATOM 0 H SER A 60 -10.239 -2.234 -6.800 1.00 0.00 H new ATOM 0 HA SER A 60 -7.602 -2.255 -6.173 1.00 0.00 H new ATOM 0 HB2 SER A 60 -7.435 -4.090 -7.964 1.00 0.00 H new ATOM 0 HB3 SER A 60 -8.929 -4.233 -7.060 1.00 0.00 H new ATOM 0 HG SER A 60 -8.843 -2.489 -9.321 1.00 0.00 H new ATOM 839 N ALA A 61 -6.109 -0.938 -7.503 1.00 0.00 N ATOM 840 CA ALA A 61 -5.115 -0.113 -8.264 1.00 0.00 C ATOM 841 C ALA A 61 -3.847 -0.947 -8.494 1.00 0.00 C ATOM 842 O ALA A 61 -2.899 -0.864 -7.739 1.00 0.00 O ATOM 843 CB ALA A 61 -4.805 1.150 -7.439 1.00 0.00 C ATOM 0 H ALA A 61 -5.839 -1.139 -6.540 1.00 0.00 H new ATOM 0 HA ALA A 61 -5.511 0.184 -9.235 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -4.083 1.766 -7.974 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -5.722 1.718 -7.284 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -4.390 0.861 -6.473 1.00 0.00 H new ATOM 849 N ARG A 62 -3.883 -1.725 -9.547 1.00 0.00 N ATOM 850 CA ARG A 62 -2.736 -2.608 -9.919 1.00 0.00 C ATOM 851 C ARG A 62 -1.529 -1.849 -10.508 1.00 0.00 C ATOM 852 O ARG A 62 -1.249 -1.936 -11.690 1.00 0.00 O ATOM 853 CB ARG A 62 -3.285 -3.650 -10.914 1.00 0.00 C ATOM 854 CG ARG A 62 -4.358 -4.511 -10.205 1.00 0.00 C ATOM 855 CD ARG A 62 -4.865 -5.618 -11.154 1.00 0.00 C ATOM 856 NE ARG A 62 -3.726 -6.518 -11.523 1.00 0.00 N ATOM 857 CZ ARG A 62 -3.225 -7.388 -10.679 1.00 0.00 C ATOM 858 NH1 ARG A 62 -3.707 -7.500 -9.470 1.00 0.00 N ATOM 859 NH2 ARG A 62 -2.234 -8.131 -11.084 1.00 0.00 N ATOM 0 H ARG A 62 -4.681 -1.786 -10.180 1.00 0.00 H new ATOM 0 HA ARG A 62 -2.341 -3.079 -9.019 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -3.717 -3.151 -11.781 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -2.477 -4.283 -11.280 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -3.939 -4.958 -9.304 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -5.191 -3.882 -9.891 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -5.655 -6.193 -10.671 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -5.297 -5.174 -12.051 1.00 0.00 H new ATOM 0 HE ARG A 62 -3.328 -6.452 -12.460 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -4.482 -6.907 -9.173 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -3.309 -8.181 -8.823 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -1.872 -8.026 -12.032 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -1.821 -8.818 -10.453 1.00 0.00 H new ATOM 873 N ALA A 63 -0.843 -1.125 -9.655 1.00 0.00 N ATOM 874 CA ALA A 63 0.354 -0.334 -10.090 1.00 0.00 C ATOM 875 C ALA A 63 1.669 -1.123 -9.968 1.00 0.00 C ATOM 876 O ALA A 63 1.792 -2.007 -9.147 1.00 0.00 O ATOM 877 CB ALA A 63 0.442 0.939 -9.237 1.00 0.00 C ATOM 0 H ALA A 63 -1.065 -1.047 -8.662 1.00 0.00 H new ATOM 0 HA ALA A 63 0.224 -0.093 -11.145 1.00 0.00 H new ATOM 0 HB1 ALA A 63 1.309 1.523 -9.544 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -0.462 1.532 -9.374 1.00 0.00 H new ATOM 0 HB3 ALA A 63 0.541 0.667 -8.186 1.00 0.00 H new ATOM 883 N CYS A 64 2.623 -0.777 -10.795 1.00 0.00 N ATOM 884 CA CYS A 64 3.951 -1.474 -10.770 1.00 0.00 C ATOM 885 C CYS A 64 5.060 -0.413 -10.826 1.00 0.00 C ATOM 886 O CYS A 64 6.066 -0.568 -11.492 1.00 0.00 O ATOM 887 CB CYS A 64 3.985 -2.433 -11.976 1.00 0.00 C ATOM 888 SG CYS A 64 2.633 -3.637 -12.003 1.00 0.00 S ATOM 0 H CYS A 64 2.541 -0.037 -11.492 1.00 0.00 H new ATOM 0 HA CYS A 64 4.105 -2.054 -9.860 1.00 0.00 H new ATOM 0 HB2 CYS A 64 3.953 -1.846 -12.894 1.00 0.00 H new ATOM 0 HB3 CYS A 64 4.934 -2.969 -11.974 1.00 0.00 H new ATOM 893 N ASN A 65 4.809 0.649 -10.101 1.00 0.00 N ATOM 894 CA ASN A 65 5.739 1.804 -10.004 1.00 0.00 C ATOM 895 C ASN A 65 6.301 1.891 -8.567 1.00 0.00 C ATOM 896 O ASN A 65 5.578 1.613 -7.632 1.00 0.00 O ATOM 897 CB ASN A 65 4.943 3.045 -10.345 1.00 0.00 C ATOM 898 CG ASN A 65 4.407 2.939 -11.774 1.00 0.00 C ATOM 899 OD1 ASN A 65 5.016 3.392 -12.723 1.00 0.00 O ATOM 900 ND2 ASN A 65 3.263 2.342 -11.957 1.00 0.00 N ATOM 0 H ASN A 65 3.958 0.761 -9.551 1.00 0.00 H new ATOM 0 HA ASN A 65 6.582 1.698 -10.687 1.00 0.00 H new ATOM 0 HB2 ASN A 65 4.116 3.162 -9.644 1.00 0.00 H new ATOM 0 HB3 ASN A 65 5.572 3.930 -10.247 1.00 0.00 H new ATOM 0 HD21 ASN A 65 2.878 2.255 -12.898 1.00 0.00 H new ATOM 0 HD22 ASN A 65 2.753 1.962 -11.160 1.00 0.00 H new ATOM 907 N PRO A 66 7.553 2.265 -8.408 1.00 0.00 N ATOM 908 CA PRO A 66 8.144 2.530 -7.061 1.00 0.00 C ATOM 909 C PRO A 66 7.441 3.710 -6.363 1.00 0.00 C ATOM 910 O PRO A 66 6.643 4.405 -6.963 1.00 0.00 O ATOM 911 CB PRO A 66 9.631 2.804 -7.300 1.00 0.00 C ATOM 912 CG PRO A 66 9.852 2.853 -8.821 1.00 0.00 C ATOM 913 CD PRO A 66 8.535 2.469 -9.515 1.00 0.00 C ATOM 0 HA PRO A 66 8.011 1.680 -6.392 1.00 0.00 H new ATOM 0 HB2 PRO A 66 9.926 3.746 -6.839 1.00 0.00 H new ATOM 0 HB3 PRO A 66 10.242 2.023 -6.848 1.00 0.00 H new ATOM 0 HG2 PRO A 66 10.165 3.851 -9.127 1.00 0.00 H new ATOM 0 HG3 PRO A 66 10.648 2.167 -9.111 1.00 0.00 H new ATOM 0 HD2 PRO A 66 8.205 3.255 -10.195 1.00 0.00 H new ATOM 0 HD3 PRO A 66 8.653 1.563 -10.109 1.00 0.00 H new ATOM 921 N PHE A 67 7.770 3.890 -5.108 1.00 0.00 N ATOM 922 CA PHE A 67 7.169 4.997 -4.295 1.00 0.00 C ATOM 923 C PHE A 67 8.039 5.273 -3.052 1.00 0.00 C ATOM 924 O PHE A 67 9.137 4.762 -2.942 1.00 0.00 O ATOM 925 CB PHE A 67 5.737 4.580 -3.871 1.00 0.00 C ATOM 926 CG PHE A 67 5.812 3.296 -3.034 1.00 0.00 C ATOM 927 CD1 PHE A 67 5.955 2.047 -3.608 1.00 0.00 C ATOM 928 CD2 PHE A 67 5.746 3.401 -1.665 1.00 0.00 C ATOM 929 CE1 PHE A 67 6.031 0.929 -2.811 1.00 0.00 C ATOM 930 CE2 PHE A 67 5.823 2.290 -0.864 1.00 0.00 C ATOM 931 CZ PHE A 67 5.966 1.053 -1.438 1.00 0.00 C ATOM 0 H PHE A 67 8.439 3.309 -4.603 1.00 0.00 H new ATOM 0 HA PHE A 67 7.123 5.911 -4.888 1.00 0.00 H new ATOM 0 HB2 PHE A 67 5.269 5.378 -3.294 1.00 0.00 H new ATOM 0 HB3 PHE A 67 5.117 4.418 -4.752 1.00 0.00 H new ATOM 0 HD1 PHE A 67 6.007 1.949 -4.682 1.00 0.00 H new ATOM 0 HD2 PHE A 67 5.632 4.375 -1.212 1.00 0.00 H new ATOM 0 HE1 PHE A 67 6.142 -0.047 -3.260 1.00 0.00 H new ATOM 0 HE2 PHE A 67 5.771 2.389 0.210 1.00 0.00 H new ATOM 0 HZ PHE A 67 6.028 0.174 -0.814 1.00 0.00 H new ATOM 941 N GLY A 68 7.513 6.074 -2.157 1.00 0.00 N ATOM 942 CA GLY A 68 8.251 6.424 -0.905 1.00 0.00 C ATOM 943 C GLY A 68 7.284 6.675 0.256 1.00 0.00 C ATOM 944 O GLY A 68 7.286 7.741 0.842 1.00 0.00 O ATOM 0 H GLY A 68 6.592 6.505 -2.243 1.00 0.00 H new ATOM 0 HA2 GLY A 68 8.934 5.616 -0.644 1.00 0.00 H new ATOM 0 HA3 GLY A 68 8.859 7.313 -1.074 1.00 0.00 H new ATOM 948 N TRP A 69 6.486 5.677 0.553 1.00 0.00 N ATOM 949 CA TRP A 69 5.494 5.781 1.666 1.00 0.00 C ATOM 950 C TRP A 69 5.978 4.968 2.861 1.00 0.00 C ATOM 951 O TRP A 69 6.607 3.938 2.705 1.00 0.00 O ATOM 952 CB TRP A 69 4.131 5.229 1.224 1.00 0.00 C ATOM 953 CG TRP A 69 3.411 6.206 0.276 1.00 0.00 C ATOM 954 CD1 TRP A 69 3.140 7.515 0.565 1.00 0.00 C ATOM 955 CD2 TRP A 69 2.938 5.936 -0.982 1.00 0.00 C ATOM 956 NE1 TRP A 69 2.540 7.967 -0.505 1.00 0.00 N ATOM 957 CE2 TRP A 69 2.370 7.107 -1.482 1.00 0.00 C ATOM 958 CE3 TRP A 69 2.913 4.784 -1.770 1.00 0.00 C ATOM 959 CZ2 TRP A 69 1.793 7.134 -2.744 1.00 0.00 C ATOM 960 CZ3 TRP A 69 2.332 4.807 -3.036 1.00 0.00 C ATOM 961 CH2 TRP A 69 1.772 5.985 -3.524 1.00 0.00 C ATOM 0 H TRP A 69 6.482 4.782 0.063 1.00 0.00 H new ATOM 0 HA TRP A 69 5.392 6.832 1.937 1.00 0.00 H new ATOM 0 HB2 TRP A 69 4.269 4.270 0.724 1.00 0.00 H new ATOM 0 HB3 TRP A 69 3.509 5.045 2.100 1.00 0.00 H new ATOM 0 HD1 TRP A 69 3.370 8.054 1.472 1.00 0.00 H new ATOM 0 HE1 TRP A 69 2.222 8.933 -0.577 1.00 0.00 H new ATOM 0 HE3 TRP A 69 3.347 3.869 -1.396 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 1.360 8.049 -3.120 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 2.316 3.911 -3.639 1.00 0.00 H new ATOM 0 HH2 TRP A 69 1.323 6.005 -4.506 1.00 0.00 H new ATOM 972 N LYS A 70 5.658 5.470 4.024 1.00 0.00 N ATOM 973 CA LYS A 70 6.061 4.787 5.286 1.00 0.00 C ATOM 974 C LYS A 70 5.019 3.730 5.636 1.00 0.00 C ATOM 975 O LYS A 70 5.390 2.623 5.965 1.00 0.00 O ATOM 976 CB LYS A 70 6.158 5.831 6.395 1.00 0.00 C ATOM 977 CG LYS A 70 7.542 6.524 6.423 1.00 0.00 C ATOM 978 CD LYS A 70 7.947 7.094 5.036 1.00 0.00 C ATOM 979 CE LYS A 70 9.261 7.887 5.160 1.00 0.00 C ATOM 980 NZ LYS A 70 9.062 9.104 6.000 1.00 0.00 N ATOM 0 H LYS A 70 5.129 6.333 4.154 1.00 0.00 H new ATOM 0 HA LYS A 70 7.028 4.299 5.167 1.00 0.00 H new ATOM 0 HB2 LYS A 70 5.380 6.582 6.255 1.00 0.00 H new ATOM 0 HB3 LYS A 70 5.972 5.355 7.358 1.00 0.00 H new ATOM 0 HG2 LYS A 70 7.526 7.332 7.154 1.00 0.00 H new ATOM 0 HG3 LYS A 70 8.296 5.810 6.754 1.00 0.00 H new ATOM 0 HD2 LYS A 70 8.069 6.281 4.320 1.00 0.00 H new ATOM 0 HD3 LYS A 70 7.157 7.740 4.653 1.00 0.00 H new ATOM 0 HE2 LYS A 70 10.033 7.256 5.601 1.00 0.00 H new ATOM 0 HE3 LYS A 70 9.613 8.176 4.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 9.640 9.883 5.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 8.059 9.378 5.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 9.348 8.901 6.979 1.00 0.00 H new ATOM 994 N SER A 71 3.766 4.109 5.553 1.00 0.00 N ATOM 995 CA SER A 71 2.643 3.170 5.867 1.00 0.00 C ATOM 996 C SER A 71 1.347 3.527 5.149 1.00 0.00 C ATOM 997 O SER A 71 1.118 4.655 4.765 1.00 0.00 O ATOM 998 CB SER A 71 2.385 3.154 7.382 1.00 0.00 C ATOM 999 OG SER A 71 2.274 4.516 7.761 1.00 0.00 O ATOM 0 H SER A 71 3.470 5.045 5.276 1.00 0.00 H new ATOM 0 HA SER A 71 2.953 2.186 5.515 1.00 0.00 H new ATOM 0 HB2 SER A 71 1.474 2.605 7.619 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.200 2.664 7.914 1.00 0.00 H new ATOM 0 HG SER A 71 3.167 4.884 7.925 1.00 0.00 H new ATOM 1005 N ILE A 72 0.555 2.498 5.017 1.00 0.00 N ATOM 1006 CA ILE A 72 -0.784 2.558 4.349 1.00 0.00 C ATOM 1007 C ILE A 72 -1.868 2.323 5.402 1.00 0.00 C ATOM 1008 O ILE A 72 -1.776 1.385 6.168 1.00 0.00 O ATOM 1009 CB ILE A 72 -0.840 1.463 3.226 1.00 0.00 C ATOM 1010 CG1 ILE A 72 -2.306 1.331 2.696 1.00 0.00 C ATOM 1011 CG2 ILE A 72 -0.340 0.088 3.757 1.00 0.00 C ATOM 1012 CD1 ILE A 72 -2.366 0.451 1.476 1.00 0.00 C ATOM 0 H ILE A 72 0.793 1.569 5.363 1.00 0.00 H new ATOM 0 HA ILE A 72 -0.948 3.533 3.891 1.00 0.00 H new ATOM 0 HB ILE A 72 -0.182 1.769 2.412 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -2.942 0.917 3.478 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -2.699 2.319 2.455 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -0.390 -0.651 2.957 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.691 0.183 4.099 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -0.970 -0.232 4.587 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -3.397 0.378 1.130 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.748 0.880 0.687 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.996 -0.543 1.726 1.00 0.00 H new ATOM 1024 N PHE A 73 -2.856 3.183 5.398 1.00 0.00 N ATOM 1025 CA PHE A 73 -3.980 3.074 6.374 1.00 0.00 C ATOM 1026 C PHE A 73 -5.212 2.431 5.728 1.00 0.00 C ATOM 1027 O PHE A 73 -6.067 3.117 5.201 1.00 0.00 O ATOM 1028 CB PHE A 73 -4.292 4.494 6.875 1.00 0.00 C ATOM 1029 CG PHE A 73 -5.353 4.504 7.997 1.00 0.00 C ATOM 1030 CD1 PHE A 73 -5.330 3.579 9.029 1.00 0.00 C ATOM 1031 CD2 PHE A 73 -6.351 5.462 7.985 1.00 0.00 C ATOM 1032 CE1 PHE A 73 -6.282 3.611 10.024 1.00 0.00 C ATOM 1033 CE2 PHE A 73 -7.304 5.495 8.982 1.00 0.00 C ATOM 1034 CZ PHE A 73 -7.270 4.570 10.002 1.00 0.00 C ATOM 0 H PHE A 73 -2.931 3.967 4.750 1.00 0.00 H new ATOM 0 HA PHE A 73 -3.698 2.432 7.208 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -3.375 4.956 7.242 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -4.644 5.101 6.041 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -4.557 2.825 9.053 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -6.384 6.190 7.188 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -6.254 2.884 10.822 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -8.078 6.248 8.963 1.00 0.00 H new ATOM 0 HZ PHE A 73 -8.016 4.597 10.782 1.00 0.00 H new ATOM 1044 N ILE A 74 -5.265 1.123 5.787 1.00 0.00 N ATOM 1045 CA ILE A 74 -6.428 0.397 5.189 1.00 0.00 C ATOM 1046 C ILE A 74 -7.553 0.346 6.230 1.00 0.00 C ATOM 1047 O ILE A 74 -7.312 0.114 7.398 1.00 0.00 O ATOM 1048 CB ILE A 74 -6.006 -1.050 4.794 1.00 0.00 C ATOM 1049 CG1 ILE A 74 -4.810 -0.972 3.814 1.00 0.00 C ATOM 1050 CG2 ILE A 74 -7.214 -1.778 4.134 1.00 0.00 C ATOM 1051 CD1 ILE A 74 -4.423 -2.351 3.266 1.00 0.00 C ATOM 0 H ILE A 74 -4.558 0.530 6.221 1.00 0.00 H new ATOM 0 HA ILE A 74 -6.770 0.915 4.293 1.00 0.00 H new ATOM 0 HB ILE A 74 -5.705 -1.613 5.678 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -5.063 -0.311 2.985 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -3.953 -0.531 4.323 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -6.921 -2.791 3.857 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -8.043 -1.821 4.840 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -7.524 -1.233 3.242 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -3.580 -2.248 2.583 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -4.143 -3.005 4.092 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -5.271 -2.782 2.733 1.00 0.00 H new ATOM 1063 N GLN A 75 -8.747 0.577 5.755 1.00 0.00 N ATOM 1064 CA GLN A 75 -9.968 0.567 6.612 1.00 0.00 C ATOM 1065 C GLN A 75 -10.568 -0.848 6.664 1.00 0.00 C ATOM 1066 O GLN A 75 -10.147 -1.717 5.923 1.00 0.00 O ATOM 1067 CB GLN A 75 -10.949 1.555 6.011 1.00 0.00 C ATOM 1068 CG GLN A 75 -10.326 2.950 6.080 1.00 0.00 C ATOM 1069 CD GLN A 75 -10.318 3.466 7.524 1.00 0.00 C ATOM 1070 OE1 GLN A 75 -9.270 3.250 8.269 1.00 0.00 O flip ATOM 1071 NE2 GLN A 75 -11.266 4.068 7.987 1.00 0.00 N flip ATOM 0 H GLN A 75 -8.932 0.779 4.773 1.00 0.00 H new ATOM 0 HA GLN A 75 -9.729 0.853 7.636 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -11.171 1.289 4.978 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -11.893 1.533 6.556 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -9.307 2.919 5.693 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -10.887 3.637 5.446 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -12.090 4.242 7.412 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -11.238 4.400 8.951 1.00 0.00 H new ATOM 1080 N CYS A 76 -11.529 -1.042 7.531 1.00 0.00 N ATOM 1081 CA CYS A 76 -12.191 -2.382 7.664 1.00 0.00 C ATOM 1082 C CYS A 76 -13.688 -2.304 7.319 1.00 0.00 C ATOM 1083 O CYS A 76 -14.160 -3.274 6.748 1.00 0.00 O ATOM 1084 CB CYS A 76 -12.006 -2.897 9.101 1.00 0.00 C ATOM 1085 SG CYS A 76 -10.789 -4.218 9.332 1.00 0.00 S ATOM 1086 OXT CYS A 76 -14.277 -1.284 7.637 1.00 0.00 O ATOM 0 H CYS A 76 -11.889 -0.324 8.160 1.00 0.00 H new ATOM 0 HA CYS A 76 -11.725 -3.071 6.960 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -11.720 -2.055 9.732 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -12.970 -3.254 9.463 1.00 0.00 H new TER 1091 CYS A 76