USER MOD reduce.3.24.130724 H: found=0, std=0, add=524, rem=0, adj=26 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 59 SER OG : rot 180:sc= -0.079 USER MOD Set 1.2: A 60 SER OG : rot 40:sc= 0.633 USER MOD Set 2.1: A 45 ASN :FLIP amide:sc= 0.479 F(o=-3.5,f=-1.1) USER MOD Set 2.2: A 54 HIS : no HD1:sc= -2.62! C(o=-1.1!,f=-8.3!) USER MOD Set 2.3: A 55 THR OG1 : rot 56:sc= 0.987 USER MOD Set 3.1: A 1 SER N :NH3+ -172:sc= -0.92 (180deg=-1.15) USER MOD Set 3.2: A 35 SER OG : rot -74:sc= 0.819 USER MOD Set 4.1: A 32 TYR OH : rot 180:sc= 0.172 USER MOD Set 4.2: A 65 ASN :FLIP amide:sc= 0.795 F(o=-0.75,f=0.97) USER MOD Set 5.1: A 18 TYR OH : rot 11:sc= 1.05 USER MOD Set 5.2: A 27 HIS : no HD1:sc= -0.0736 X(o=-1.3,f=-1.2) USER MOD Set 5.3: A 28 GLN : amide:sc= -2.26! C(o=-1.3!,f=-3.4!) USER MOD Set 6.1: A 7 SER OG : rot -64:sc= 0.418 USER MOD Set 6.2: A 13 ASN : amide:sc= -9.94! C(o=-9.5!,f=-20!) USER MOD Set 7.1: A 1 SER OG : rot -65:sc= 0.49 USER MOD Set 7.2: A 39 GLN : amide:sc= -2.27 K(o=-1.8,f=-3) USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.0921 USER MOD Single : A 12 ASN :FLIP amide:sc= -0.33 F(o=-1.3,f=-0.33) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 164:sc= 0.255 (180deg=-0.344) USER MOD Single : A 24 SER OG : rot 36:sc= 0.142 USER MOD Single : A 29 LYS NZ :NH3+ 150:sc= 0.421 (180deg=-0.351) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot -16:sc= 1.45 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 GLN :FLIP amide:sc= -4.4! C(o=-5.3!,f=-4.4!) USER MOD Single : A 50 SER OG : rot -41:sc= 0.882 USER MOD Single : A 70 LYS NZ :NH3+ 164:sc= -0.0516 (180deg=-0.38) USER MOD Single : A 71 SER OG : rot -69:sc= -0.32 USER MOD Single : A 75 GLN :FLIP amide:sc= 0.502 F(o=-3.4!,f=0.5) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -9.457 -5.450 -0.638 1.00 0.00 N ATOM 2 CA SER A 1 -8.971 -4.665 0.533 1.00 0.00 C ATOM 3 C SER A 1 -7.573 -5.166 0.938 1.00 0.00 C ATOM 4 O SER A 1 -7.378 -5.697 2.016 1.00 0.00 O ATOM 5 CB SER A 1 -9.959 -4.833 1.699 1.00 0.00 C ATOM 6 OG SER A 1 -11.177 -4.323 1.180 1.00 0.00 O ATOM 0 H1 SER A 1 -10.336 -5.028 -0.998 1.00 0.00 H new ATOM 0 H2 SER A 1 -8.736 -5.439 -1.387 1.00 0.00 H new ATOM 0 H3 SER A 1 -9.638 -6.432 -0.347 1.00 0.00 H new ATOM 0 HA SER A 1 -8.905 -3.608 0.273 1.00 0.00 H new ATOM 0 HB2 SER A 1 -10.056 -5.877 1.995 1.00 0.00 H new ATOM 0 HB3 SER A 1 -9.636 -4.280 2.581 1.00 0.00 H new ATOM 0 HG SER A 1 -11.081 -3.364 1.003 1.00 0.00 H new ATOM 11 N ALA A 2 -6.632 -4.979 0.045 1.00 0.00 N ATOM 12 CA ALA A 2 -5.227 -5.421 0.311 1.00 0.00 C ATOM 13 C ALA A 2 -4.231 -4.698 -0.605 1.00 0.00 C ATOM 14 O ALA A 2 -4.313 -4.798 -1.816 1.00 0.00 O ATOM 15 CB ALA A 2 -5.122 -6.942 0.081 1.00 0.00 C ATOM 0 H ALA A 2 -6.778 -4.536 -0.862 1.00 0.00 H new ATOM 0 HA ALA A 2 -4.980 -5.175 1.344 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -4.100 -7.269 0.273 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -5.802 -7.460 0.757 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -5.389 -7.173 -0.950 1.00 0.00 H new ATOM 21 N PHE A 3 -3.321 -3.985 0.013 1.00 0.00 N ATOM 22 CA PHE A 3 -2.283 -3.234 -0.746 1.00 0.00 C ATOM 23 C PHE A 3 -1.094 -4.167 -0.996 1.00 0.00 C ATOM 24 O PHE A 3 -0.191 -4.278 -0.189 1.00 0.00 O ATOM 25 CB PHE A 3 -1.895 -2.022 0.098 1.00 0.00 C ATOM 26 CG PHE A 3 -0.907 -1.096 -0.638 1.00 0.00 C ATOM 27 CD1 PHE A 3 -1.376 -0.159 -1.539 1.00 0.00 C ATOM 28 CD2 PHE A 3 0.454 -1.174 -0.403 1.00 0.00 C ATOM 29 CE1 PHE A 3 -0.505 0.685 -2.194 1.00 0.00 C ATOM 30 CE2 PHE A 3 1.321 -0.327 -1.062 1.00 0.00 C ATOM 31 CZ PHE A 3 0.847 0.602 -1.955 1.00 0.00 C ATOM 0 H PHE A 3 -3.256 -3.893 1.027 1.00 0.00 H new ATOM 0 HA PHE A 3 -2.642 -2.889 -1.716 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -2.792 -1.460 0.359 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -1.447 -2.360 1.033 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -2.436 -0.087 -1.732 1.00 0.00 H new ATOM 0 HD2 PHE A 3 0.839 -1.900 0.298 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -0.885 1.413 -2.896 1.00 0.00 H new ATOM 0 HE2 PHE A 3 2.382 -0.395 -0.874 1.00 0.00 H new ATOM 0 HZ PHE A 3 1.531 1.263 -2.466 1.00 0.00 H new ATOM 41 N THR A 4 -1.150 -4.817 -2.132 1.00 0.00 N ATOM 42 CA THR A 4 -0.062 -5.763 -2.518 1.00 0.00 C ATOM 43 C THR A 4 1.146 -4.916 -2.900 1.00 0.00 C ATOM 44 O THR A 4 0.990 -3.792 -3.329 1.00 0.00 O ATOM 45 CB THR A 4 -0.530 -6.609 -3.708 1.00 0.00 C ATOM 46 OG1 THR A 4 -1.741 -7.216 -3.278 1.00 0.00 O ATOM 47 CG2 THR A 4 0.413 -7.798 -3.971 1.00 0.00 C ATOM 0 H THR A 4 -1.907 -4.731 -2.811 1.00 0.00 H new ATOM 0 HA THR A 4 0.194 -6.440 -1.703 1.00 0.00 H new ATOM 0 HB THR A 4 -0.594 -5.977 -4.594 1.00 0.00 H new ATOM 0 HG1 THR A 4 -2.100 -7.776 -3.998 1.00 0.00 H new ATOM 0 HG21 THR A 4 0.046 -8.372 -4.822 1.00 0.00 H new ATOM 0 HG22 THR A 4 1.415 -7.427 -4.188 1.00 0.00 H new ATOM 0 HG23 THR A 4 0.447 -8.438 -3.089 1.00 0.00 H new ATOM 55 N VAL A 5 2.306 -5.489 -2.729 1.00 0.00 N ATOM 56 CA VAL A 5 3.586 -4.788 -3.047 1.00 0.00 C ATOM 57 C VAL A 5 4.690 -5.814 -3.373 1.00 0.00 C ATOM 58 O VAL A 5 4.635 -6.939 -2.912 1.00 0.00 O ATOM 59 CB VAL A 5 4.059 -3.942 -1.825 1.00 0.00 C ATOM 60 CG1 VAL A 5 3.049 -2.860 -1.459 1.00 0.00 C ATOM 61 CG2 VAL A 5 4.171 -4.829 -0.572 1.00 0.00 C ATOM 0 H VAL A 5 2.424 -6.438 -2.373 1.00 0.00 H new ATOM 0 HA VAL A 5 3.409 -4.140 -3.905 1.00 0.00 H new ATOM 0 HB VAL A 5 5.014 -3.504 -2.115 1.00 0.00 H new ATOM 0 HG11 VAL A 5 3.417 -2.294 -0.603 1.00 0.00 H new ATOM 0 HG12 VAL A 5 2.912 -2.189 -2.307 1.00 0.00 H new ATOM 0 HG13 VAL A 5 2.096 -3.323 -1.205 1.00 0.00 H new ATOM 0 HG21 VAL A 5 4.502 -4.225 0.273 1.00 0.00 H new ATOM 0 HG22 VAL A 5 3.198 -5.265 -0.347 1.00 0.00 H new ATOM 0 HG23 VAL A 5 4.893 -5.626 -0.753 1.00 0.00 H new ATOM 71 N TRP A 6 5.655 -5.398 -4.158 1.00 0.00 N ATOM 72 CA TRP A 6 6.787 -6.281 -4.539 1.00 0.00 C ATOM 73 C TRP A 6 8.047 -5.398 -4.389 1.00 0.00 C ATOM 74 O TRP A 6 7.975 -4.197 -4.562 1.00 0.00 O ATOM 75 CB TRP A 6 6.582 -6.741 -5.987 1.00 0.00 C ATOM 76 CG TRP A 6 5.328 -7.612 -6.163 1.00 0.00 C ATOM 77 CD1 TRP A 6 5.300 -8.980 -6.109 1.00 0.00 C ATOM 78 CD2 TRP A 6 4.067 -7.174 -6.428 1.00 0.00 C ATOM 79 NE1 TRP A 6 4.050 -9.292 -6.343 1.00 0.00 N ATOM 80 CE2 TRP A 6 3.230 -8.285 -6.548 1.00 0.00 C ATOM 81 CE3 TRP A 6 3.542 -5.895 -6.588 1.00 0.00 C ATOM 82 CZ2 TRP A 6 1.881 -8.110 -6.831 1.00 0.00 C ATOM 83 CZ3 TRP A 6 2.198 -5.727 -6.869 1.00 0.00 C ATOM 84 CH2 TRP A 6 1.376 -6.839 -6.991 1.00 0.00 C ATOM 0 H TRP A 6 5.700 -4.460 -4.556 1.00 0.00 H new ATOM 0 HA TRP A 6 6.871 -7.179 -3.926 1.00 0.00 H new ATOM 0 HB2 TRP A 6 6.505 -5.867 -6.634 1.00 0.00 H new ATOM 0 HB3 TRP A 6 7.458 -7.303 -6.312 1.00 0.00 H new ATOM 0 HD1 TRP A 6 6.124 -9.651 -5.917 1.00 0.00 H new ATOM 0 HE1 TRP A 6 3.731 -10.261 -6.365 1.00 0.00 H new ATOM 0 HE3 TRP A 6 4.185 -5.032 -6.493 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 1.231 -8.967 -6.925 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 1.790 -4.735 -6.993 1.00 0.00 H new ATOM 0 HH2 TRP A 6 0.328 -6.706 -7.214 1.00 0.00 H new ATOM 95 N SER A 7 9.164 -6.004 -4.072 1.00 0.00 N ATOM 96 CA SER A 7 10.455 -5.250 -3.892 1.00 0.00 C ATOM 97 C SER A 7 10.973 -4.548 -5.155 1.00 0.00 C ATOM 98 O SER A 7 11.896 -3.760 -5.080 1.00 0.00 O ATOM 99 CB SER A 7 11.531 -6.232 -3.378 1.00 0.00 C ATOM 100 OG SER A 7 11.718 -7.167 -4.430 1.00 0.00 O ATOM 0 H SER A 7 9.242 -7.011 -3.926 1.00 0.00 H new ATOM 0 HA SER A 7 10.248 -4.454 -3.177 1.00 0.00 H new ATOM 0 HB2 SER A 7 12.460 -5.711 -3.145 1.00 0.00 H new ATOM 0 HB3 SER A 7 11.206 -6.728 -2.464 1.00 0.00 H new ATOM 0 HG SER A 7 10.889 -7.671 -4.571 1.00 0.00 H new ATOM 106 N GLY A 8 10.364 -4.855 -6.269 1.00 0.00 N ATOM 107 CA GLY A 8 10.767 -4.244 -7.573 1.00 0.00 C ATOM 108 C GLY A 8 11.510 -5.274 -8.434 1.00 0.00 C ATOM 109 O GLY A 8 12.032 -6.233 -7.902 1.00 0.00 O ATOM 0 H GLY A 8 9.590 -5.516 -6.333 1.00 0.00 H new ATOM 0 HA2 GLY A 8 9.885 -3.885 -8.103 1.00 0.00 H new ATOM 0 HA3 GLY A 8 11.406 -3.379 -7.396 1.00 0.00 H new ATOM 113 N PRO A 9 11.558 -5.063 -9.730 1.00 0.00 N ATOM 114 CA PRO A 9 11.458 -3.730 -10.401 1.00 0.00 C ATOM 115 C PRO A 9 10.021 -3.202 -10.355 1.00 0.00 C ATOM 116 O PRO A 9 9.774 -2.097 -9.911 1.00 0.00 O ATOM 117 CB PRO A 9 11.955 -3.957 -11.830 1.00 0.00 C ATOM 118 CG PRO A 9 11.981 -5.484 -12.058 1.00 0.00 C ATOM 119 CD PRO A 9 11.715 -6.176 -10.709 1.00 0.00 C ATOM 0 HA PRO A 9 12.057 -2.968 -9.902 1.00 0.00 H new ATOM 0 HB2 PRO A 9 11.297 -3.470 -12.550 1.00 0.00 H new ATOM 0 HB3 PRO A 9 12.948 -3.529 -11.966 1.00 0.00 H new ATOM 0 HG2 PRO A 9 11.225 -5.772 -12.789 1.00 0.00 H new ATOM 0 HG3 PRO A 9 12.946 -5.792 -12.460 1.00 0.00 H new ATOM 0 HD2 PRO A 9 10.818 -6.793 -10.752 1.00 0.00 H new ATOM 0 HD3 PRO A 9 12.540 -6.832 -10.432 1.00 0.00 H new ATOM 127 N GLY A 10 9.128 -4.034 -10.822 1.00 0.00 N ATOM 128 CA GLY A 10 7.682 -3.688 -10.851 1.00 0.00 C ATOM 129 C GLY A 10 6.965 -4.584 -9.842 1.00 0.00 C ATOM 130 O GLY A 10 7.307 -4.609 -8.675 1.00 0.00 O ATOM 0 H GLY A 10 9.348 -4.959 -11.192 1.00 0.00 H new ATOM 0 HA2 GLY A 10 7.536 -2.637 -10.600 1.00 0.00 H new ATOM 0 HA3 GLY A 10 7.274 -3.837 -11.851 1.00 0.00 H new ATOM 134 N CYS A 11 5.988 -5.293 -10.346 1.00 0.00 N ATOM 135 CA CYS A 11 5.174 -6.226 -9.509 1.00 0.00 C ATOM 136 C CYS A 11 5.646 -7.674 -9.733 1.00 0.00 C ATOM 137 O CYS A 11 4.853 -8.596 -9.786 1.00 0.00 O ATOM 138 CB CYS A 11 3.723 -6.090 -9.920 1.00 0.00 C ATOM 139 SG CYS A 11 2.842 -4.526 -9.701 1.00 0.00 S ATOM 0 H CYS A 11 5.714 -5.263 -11.328 1.00 0.00 H new ATOM 0 HA CYS A 11 5.290 -5.981 -8.453 1.00 0.00 H new ATOM 0 HB2 CYS A 11 3.664 -6.345 -10.978 1.00 0.00 H new ATOM 0 HB3 CYS A 11 3.163 -6.852 -9.377 1.00 0.00 H new ATOM 144 N ASN A 12 6.937 -7.826 -9.848 1.00 0.00 N ATOM 145 CA ASN A 12 7.542 -9.176 -10.078 1.00 0.00 C ATOM 146 C ASN A 12 8.247 -9.528 -8.772 1.00 0.00 C ATOM 147 O ASN A 12 7.636 -9.408 -7.730 1.00 0.00 O ATOM 148 CB ASN A 12 8.514 -9.042 -11.274 1.00 0.00 C ATOM 149 CG ASN A 12 7.775 -8.385 -12.450 1.00 0.00 C ATOM 150 OD1 ASN A 12 7.534 -7.101 -12.398 1.00 0.00 O flip ATOM 151 ND2 ASN A 12 7.413 -9.027 -13.416 1.00 0.00 N flip ATOM 0 H ASN A 12 7.611 -7.062 -9.792 1.00 0.00 H new ATOM 0 HA ASN A 12 6.829 -9.963 -10.324 1.00 0.00 H new ATOM 0 HB2 ASN A 12 9.379 -8.442 -10.991 1.00 0.00 H new ATOM 0 HB3 ASN A 12 8.889 -10.023 -11.566 1.00 0.00 H new ATOM 0 HD21 ASN A 12 7.599 -10.029 -13.461 1.00 0.00 H new ATOM 0 HD22 ASN A 12 6.923 -8.564 -14.182 1.00 0.00 H new ATOM 158 N ASN A 13 9.487 -9.946 -8.854 1.00 0.00 N ATOM 159 CA ASN A 13 10.293 -10.312 -7.644 1.00 0.00 C ATOM 160 C ASN A 13 9.484 -11.006 -6.509 1.00 0.00 C ATOM 161 O ASN A 13 8.615 -11.811 -6.785 1.00 0.00 O ATOM 162 CB ASN A 13 10.952 -8.978 -7.189 1.00 0.00 C ATOM 163 CG ASN A 13 9.852 -7.994 -6.744 1.00 0.00 C ATOM 164 OD1 ASN A 13 9.466 -8.023 -5.598 1.00 0.00 O ATOM 165 ND2 ASN A 13 9.315 -7.130 -7.575 1.00 0.00 N ATOM 0 H ASN A 13 9.989 -10.052 -9.736 1.00 0.00 H new ATOM 0 HA ASN A 13 11.030 -11.075 -7.893 1.00 0.00 H new ATOM 0 HB2 ASN A 13 11.645 -9.163 -6.368 1.00 0.00 H new ATOM 0 HB3 ASN A 13 11.532 -8.548 -8.006 1.00 0.00 H new ATOM 0 HD21 ASN A 13 8.584 -6.497 -7.251 1.00 0.00 H new ATOM 0 HD22 ASN A 13 9.629 -7.092 -8.545 1.00 0.00 H new ATOM 172 N ARG A 14 9.795 -10.677 -5.276 1.00 0.00 N ATOM 173 CA ARG A 14 9.087 -11.272 -4.096 1.00 0.00 C ATOM 174 C ARG A 14 7.761 -10.532 -3.841 1.00 0.00 C ATOM 175 O ARG A 14 7.659 -9.352 -4.116 1.00 0.00 O ATOM 176 CB ARG A 14 10.003 -11.165 -2.853 1.00 0.00 C ATOM 177 CG ARG A 14 10.366 -9.683 -2.552 1.00 0.00 C ATOM 178 CD ARG A 14 11.267 -9.606 -1.307 1.00 0.00 C ATOM 179 NE ARG A 14 12.544 -10.333 -1.593 1.00 0.00 N ATOM 180 CZ ARG A 14 13.456 -10.503 -0.666 1.00 0.00 C ATOM 181 NH1 ARG A 14 13.272 -10.039 0.541 1.00 0.00 N ATOM 182 NH2 ARG A 14 14.544 -11.147 -0.989 1.00 0.00 N ATOM 0 H ARG A 14 10.525 -10.007 -5.034 1.00 0.00 H new ATOM 0 HA ARG A 14 8.862 -12.320 -4.297 1.00 0.00 H new ATOM 0 HB2 ARG A 14 9.502 -11.603 -1.989 1.00 0.00 H new ATOM 0 HB3 ARG A 14 10.914 -11.740 -3.018 1.00 0.00 H new ATOM 0 HG2 ARG A 14 10.877 -9.244 -3.409 1.00 0.00 H new ATOM 0 HG3 ARG A 14 9.458 -9.103 -2.390 1.00 0.00 H new ATOM 0 HD2 ARG A 14 11.473 -8.566 -1.053 1.00 0.00 H new ATOM 0 HD3 ARG A 14 10.764 -10.050 -0.448 1.00 0.00 H new ATOM 0 HE ARG A 14 12.708 -10.704 -2.529 1.00 0.00 H new ATOM 0 HH11 ARG A 14 12.413 -9.539 0.770 1.00 0.00 H new ATOM 0 HH12 ARG A 14 13.987 -10.177 1.255 1.00 0.00 H new ATOM 0 HH21 ARG A 14 14.665 -11.500 -1.938 1.00 0.00 H new ATOM 0 HH22 ARG A 14 15.274 -11.297 -0.292 1.00 0.00 H new ATOM 196 N ALA A 15 6.791 -11.246 -3.322 1.00 0.00 N ATOM 197 CA ALA A 15 5.450 -10.641 -3.028 1.00 0.00 C ATOM 198 C ALA A 15 5.201 -10.450 -1.524 1.00 0.00 C ATOM 199 O ALA A 15 5.741 -11.163 -0.698 1.00 0.00 O ATOM 200 CB ALA A 15 4.366 -11.554 -3.617 1.00 0.00 C ATOM 0 H ALA A 15 6.871 -12.235 -3.086 1.00 0.00 H new ATOM 0 HA ALA A 15 5.421 -9.650 -3.481 1.00 0.00 H new ATOM 0 HB1 ALA A 15 3.383 -11.130 -3.413 1.00 0.00 H new ATOM 0 HB2 ALA A 15 4.508 -11.639 -4.694 1.00 0.00 H new ATOM 0 HB3 ALA A 15 4.436 -12.542 -3.163 1.00 0.00 H new ATOM 206 N GLU A 16 4.377 -9.474 -1.234 1.00 0.00 N ATOM 207 CA GLU A 16 3.999 -9.127 0.175 1.00 0.00 C ATOM 208 C GLU A 16 2.736 -8.257 0.112 1.00 0.00 C ATOM 209 O GLU A 16 2.605 -7.458 -0.790 1.00 0.00 O ATOM 210 CB GLU A 16 5.170 -8.351 0.832 1.00 0.00 C ATOM 211 CG GLU A 16 4.802 -7.872 2.262 1.00 0.00 C ATOM 212 CD GLU A 16 4.421 -9.063 3.160 1.00 0.00 C ATOM 213 OE1 GLU A 16 5.318 -9.840 3.444 1.00 0.00 O ATOM 214 OE2 GLU A 16 3.254 -9.130 3.510 1.00 0.00 O ATOM 0 H GLU A 16 3.935 -8.883 -1.938 1.00 0.00 H new ATOM 0 HA GLU A 16 3.802 -10.019 0.770 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.052 -8.990 0.877 1.00 0.00 H new ATOM 0 HB3 GLU A 16 5.430 -7.491 0.215 1.00 0.00 H new ATOM 0 HG2 GLU A 16 5.645 -7.337 2.699 1.00 0.00 H new ATOM 0 HG3 GLU A 16 3.971 -7.169 2.212 1.00 0.00 H new ATOM 221 N ARG A 17 1.842 -8.433 1.055 1.00 0.00 N ATOM 222 CA ARG A 17 0.580 -7.646 1.094 1.00 0.00 C ATOM 223 C ARG A 17 0.362 -6.904 2.414 1.00 0.00 C ATOM 224 O ARG A 17 0.942 -7.233 3.431 1.00 0.00 O ATOM 225 CB ARG A 17 -0.558 -8.626 0.833 1.00 0.00 C ATOM 226 CG ARG A 17 -0.544 -8.999 -0.657 1.00 0.00 C ATOM 227 CD ARG A 17 -1.691 -9.947 -1.015 1.00 0.00 C ATOM 228 NE ARG A 17 -1.599 -10.220 -2.484 1.00 0.00 N ATOM 229 CZ ARG A 17 -0.714 -11.053 -2.978 1.00 0.00 C ATOM 230 NH1 ARG A 17 0.121 -11.682 -2.193 1.00 0.00 N ATOM 231 NH2 ARG A 17 -0.692 -11.232 -4.270 1.00 0.00 N ATOM 0 H ARG A 17 1.942 -9.106 1.815 1.00 0.00 H new ATOM 0 HA ARG A 17 0.626 -6.864 0.336 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -0.439 -9.518 1.448 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -1.514 -8.178 1.103 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -0.619 -8.094 -1.259 1.00 0.00 H new ATOM 0 HG3 ARG A 17 0.407 -9.469 -0.905 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -1.616 -10.874 -0.446 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -2.653 -9.498 -0.767 1.00 0.00 H new ATOM 0 HE ARG A 17 -2.242 -9.745 -3.118 1.00 0.00 H new ATOM 0 HH11 ARG A 17 0.089 -11.527 -1.185 1.00 0.00 H new ATOM 0 HH12 ARG A 17 0.805 -12.327 -2.588 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -1.351 -10.731 -4.866 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -0.016 -11.873 -4.685 1.00 0.00 H new ATOM 245 N TYR A 18 -0.486 -5.909 2.321 1.00 0.00 N ATOM 246 CA TYR A 18 -0.844 -5.054 3.496 1.00 0.00 C ATOM 247 C TYR A 18 -2.370 -4.871 3.521 1.00 0.00 C ATOM 248 O TYR A 18 -2.904 -3.912 2.998 1.00 0.00 O ATOM 249 CB TYR A 18 -0.122 -3.689 3.359 1.00 0.00 C ATOM 250 CG TYR A 18 1.382 -3.873 3.618 1.00 0.00 C ATOM 251 CD1 TYR A 18 2.225 -4.353 2.635 1.00 0.00 C ATOM 252 CD2 TYR A 18 1.914 -3.558 4.854 1.00 0.00 C ATOM 253 CE1 TYR A 18 3.568 -4.514 2.889 1.00 0.00 C ATOM 254 CE2 TYR A 18 3.259 -3.719 5.104 1.00 0.00 C ATOM 255 CZ TYR A 18 4.097 -4.199 4.121 1.00 0.00 C ATOM 256 OH TYR A 18 5.445 -4.361 4.363 1.00 0.00 O ATOM 0 H TYR A 18 -0.958 -5.647 1.455 1.00 0.00 H new ATOM 0 HA TYR A 18 -0.530 -5.521 4.430 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -0.282 -3.280 2.361 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -0.538 -2.973 4.068 1.00 0.00 H new ATOM 0 HD1 TYR A 18 1.828 -4.603 1.662 1.00 0.00 H new ATOM 0 HD2 TYR A 18 1.268 -3.181 5.633 1.00 0.00 H new ATOM 0 HE1 TYR A 18 4.216 -4.892 2.112 1.00 0.00 H new ATOM 0 HE2 TYR A 18 3.659 -3.468 6.075 1.00 0.00 H new ATOM 0 HH TYR A 18 5.909 -4.542 3.519 1.00 0.00 H new ATOM 266 N SER A 19 -3.012 -5.828 4.145 1.00 0.00 N ATOM 267 CA SER A 19 -4.505 -5.840 4.282 1.00 0.00 C ATOM 268 C SER A 19 -4.931 -5.691 5.752 1.00 0.00 C ATOM 269 O SER A 19 -6.100 -5.534 6.047 1.00 0.00 O ATOM 270 CB SER A 19 -5.034 -7.167 3.714 1.00 0.00 C ATOM 271 OG SER A 19 -4.412 -8.173 4.503 1.00 0.00 O ATOM 0 H SER A 19 -2.549 -6.627 4.579 1.00 0.00 H new ATOM 0 HA SER A 19 -4.922 -4.997 3.731 1.00 0.00 H new ATOM 0 HB2 SER A 19 -6.120 -7.223 3.786 1.00 0.00 H new ATOM 0 HB3 SER A 19 -4.778 -7.276 2.660 1.00 0.00 H new ATOM 0 HG SER A 19 -4.706 -9.057 4.197 1.00 0.00 H new ATOM 277 N LYS A 20 -3.956 -5.750 6.625 1.00 0.00 N ATOM 278 CA LYS A 20 -4.196 -5.624 8.096 1.00 0.00 C ATOM 279 C LYS A 20 -4.961 -4.330 8.426 1.00 0.00 C ATOM 280 O LYS A 20 -4.488 -3.254 8.116 1.00 0.00 O ATOM 281 CB LYS A 20 -2.825 -5.639 8.794 1.00 0.00 C ATOM 282 CG LYS A 20 -2.982 -5.508 10.330 1.00 0.00 C ATOM 283 CD LYS A 20 -1.593 -5.512 11.019 1.00 0.00 C ATOM 284 CE LYS A 20 -0.741 -4.295 10.590 1.00 0.00 C ATOM 285 NZ LYS A 20 -1.457 -3.023 10.893 1.00 0.00 N ATOM 0 H LYS A 20 -2.977 -5.884 6.372 1.00 0.00 H new ATOM 0 HA LYS A 20 -4.811 -6.453 8.446 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -2.302 -6.565 8.556 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -2.212 -4.821 8.416 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -3.511 -4.586 10.570 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -3.586 -6.331 10.711 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -1.723 -5.502 12.101 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -1.065 -6.432 10.770 1.00 0.00 H new ATOM 0 HE2 LYS A 20 0.217 -4.313 11.110 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -0.525 -4.353 9.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -0.785 -2.230 10.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -2.209 -2.872 10.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -1.877 -3.079 11.843 1.00 0.00 H new ATOM 299 N CYS A 21 -6.111 -4.486 9.039 1.00 0.00 N ATOM 300 CA CYS A 21 -6.956 -3.318 9.421 1.00 0.00 C ATOM 301 C CYS A 21 -6.165 -2.382 10.348 1.00 0.00 C ATOM 302 O CYS A 21 -6.083 -2.608 11.541 1.00 0.00 O ATOM 303 CB CYS A 21 -8.212 -3.833 10.137 1.00 0.00 C ATOM 304 SG CYS A 21 -9.389 -4.861 9.227 1.00 0.00 S ATOM 0 H CYS A 21 -6.503 -5.392 9.294 1.00 0.00 H new ATOM 0 HA CYS A 21 -7.244 -2.760 8.530 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -7.883 -4.402 11.007 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -8.755 -2.965 10.511 1.00 0.00 H new ATOM 309 N GLY A 22 -5.603 -1.356 9.760 1.00 0.00 N ATOM 310 CA GLY A 22 -4.804 -0.369 10.545 1.00 0.00 C ATOM 311 C GLY A 22 -3.594 0.120 9.749 1.00 0.00 C ATOM 312 O GLY A 22 -3.394 -0.251 8.608 1.00 0.00 O ATOM 0 H GLY A 22 -5.665 -1.159 8.761 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -5.433 0.480 10.814 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -4.469 -0.826 11.476 1.00 0.00 H new ATOM 316 N CYS A 23 -2.825 0.950 10.407 1.00 0.00 N ATOM 317 CA CYS A 23 -1.595 1.536 9.796 1.00 0.00 C ATOM 318 C CYS A 23 -0.445 0.521 9.857 1.00 0.00 C ATOM 319 O CYS A 23 -0.297 -0.188 10.833 1.00 0.00 O ATOM 320 CB CYS A 23 -1.267 2.811 10.573 1.00 0.00 C ATOM 321 SG CYS A 23 -2.649 3.972 10.708 1.00 0.00 S ATOM 0 H CYS A 23 -3.003 1.252 11.365 1.00 0.00 H new ATOM 0 HA CYS A 23 -1.749 1.777 8.744 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -0.937 2.538 11.575 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -0.430 3.314 10.088 1.00 0.00 H new ATOM 326 N SER A 24 0.334 0.489 8.804 1.00 0.00 N ATOM 327 CA SER A 24 1.495 -0.454 8.719 1.00 0.00 C ATOM 328 C SER A 24 2.540 0.080 7.731 1.00 0.00 C ATOM 329 O SER A 24 2.191 0.545 6.664 1.00 0.00 O ATOM 330 CB SER A 24 0.973 -1.829 8.260 1.00 0.00 C ATOM 331 OG SER A 24 0.254 -1.559 7.063 1.00 0.00 O ATOM 0 H SER A 24 0.213 1.086 7.986 1.00 0.00 H new ATOM 0 HA SER A 24 1.972 -0.548 9.695 1.00 0.00 H new ATOM 0 HB2 SER A 24 1.793 -2.525 8.081 1.00 0.00 H new ATOM 0 HB3 SER A 24 0.330 -2.281 9.015 1.00 0.00 H new ATOM 0 HG SER A 24 0.707 -0.848 6.563 1.00 0.00 H new ATOM 337 N ALA A 25 3.790 -0.012 8.110 1.00 0.00 N ATOM 338 CA ALA A 25 4.895 0.484 7.230 1.00 0.00 C ATOM 339 C ALA A 25 5.238 -0.500 6.101 1.00 0.00 C ATOM 340 O ALA A 25 5.431 -1.676 6.341 1.00 0.00 O ATOM 341 CB ALA A 25 6.136 0.726 8.095 1.00 0.00 C ATOM 0 H ALA A 25 4.095 -0.412 8.997 1.00 0.00 H new ATOM 0 HA ALA A 25 4.560 1.407 6.756 1.00 0.00 H new ATOM 0 HB1 ALA A 25 6.951 1.088 7.469 1.00 0.00 H new ATOM 0 HB2 ALA A 25 5.908 1.469 8.859 1.00 0.00 H new ATOM 0 HB3 ALA A 25 6.433 -0.207 8.574 1.00 0.00 H new ATOM 347 N ILE A 26 5.302 0.026 4.900 1.00 0.00 N ATOM 348 CA ILE A 26 5.628 -0.814 3.702 1.00 0.00 C ATOM 349 C ILE A 26 7.156 -0.839 3.534 1.00 0.00 C ATOM 350 O ILE A 26 7.805 0.176 3.699 1.00 0.00 O ATOM 351 CB ILE A 26 4.957 -0.203 2.430 1.00 0.00 C ATOM 352 CG1 ILE A 26 3.447 0.068 2.700 1.00 0.00 C ATOM 353 CG2 ILE A 26 5.065 -1.277 1.310 1.00 0.00 C ATOM 354 CD1 ILE A 26 2.923 1.071 1.661 1.00 0.00 C ATOM 0 H ILE A 26 5.140 1.012 4.697 1.00 0.00 H new ATOM 0 HA ILE A 26 5.252 -1.828 3.837 1.00 0.00 H new ATOM 0 HB ILE A 26 5.442 0.733 2.154 1.00 0.00 H new ATOM 0 HG12 ILE A 26 2.882 -0.862 2.643 1.00 0.00 H new ATOM 0 HG13 ILE A 26 3.310 0.463 3.707 1.00 0.00 H new ATOM 0 HG21 ILE A 26 4.608 -0.897 0.396 1.00 0.00 H new ATOM 0 HG22 ILE A 26 6.115 -1.504 1.124 1.00 0.00 H new ATOM 0 HG23 ILE A 26 4.548 -2.184 1.624 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.866 1.266 1.844 1.00 0.00 H new ATOM 0 HD12 ILE A 26 3.483 2.003 1.740 1.00 0.00 H new ATOM 0 HD13 ILE A 26 3.048 0.657 0.660 1.00 0.00 H new ATOM 366 N HIS A 27 7.676 -1.998 3.211 1.00 0.00 N ATOM 367 CA HIS A 27 9.155 -2.165 3.019 1.00 0.00 C ATOM 368 C HIS A 27 9.548 -2.297 1.542 1.00 0.00 C ATOM 369 O HIS A 27 10.355 -1.537 1.045 1.00 0.00 O ATOM 370 CB HIS A 27 9.601 -3.416 3.794 1.00 0.00 C ATOM 371 CG HIS A 27 9.402 -3.157 5.292 1.00 0.00 C ATOM 372 ND1 HIS A 27 10.345 -2.858 6.123 1.00 0.00 N ATOM 373 CD2 HIS A 27 8.255 -3.174 6.068 1.00 0.00 C ATOM 374 CE1 HIS A 27 9.847 -2.700 7.308 1.00 0.00 C ATOM 375 NE2 HIS A 27 8.550 -2.887 7.320 1.00 0.00 N ATOM 0 H HIS A 27 7.132 -2.849 3.070 1.00 0.00 H new ATOM 0 HA HIS A 27 9.653 -1.271 3.394 1.00 0.00 H new ATOM 0 HB2 HIS A 27 9.021 -4.283 3.479 1.00 0.00 H new ATOM 0 HB3 HIS A 27 10.647 -3.639 3.584 1.00 0.00 H new ATOM 0 HD2 HIS A 27 7.263 -3.391 5.701 1.00 0.00 H new ATOM 0 HE1 HIS A 27 10.430 -2.445 8.181 1.00 0.00 H new ATOM 0 HE2 HIS A 27 7.915 -2.825 8.116 1.00 0.00 H new ATOM 383 N GLN A 28 8.953 -3.267 0.902 1.00 0.00 N ATOM 384 CA GLN A 28 9.215 -3.547 -0.545 1.00 0.00 C ATOM 385 C GLN A 28 8.478 -2.535 -1.451 1.00 0.00 C ATOM 386 O GLN A 28 7.465 -2.803 -2.067 1.00 0.00 O ATOM 387 CB GLN A 28 8.770 -5.010 -0.837 1.00 0.00 C ATOM 388 CG GLN A 28 7.330 -5.300 -0.388 1.00 0.00 C ATOM 389 CD GLN A 28 7.258 -5.618 1.111 1.00 0.00 C ATOM 390 OE1 GLN A 28 6.634 -4.914 1.880 1.00 0.00 O ATOM 391 NE2 GLN A 28 7.882 -6.669 1.565 1.00 0.00 N ATOM 0 H GLN A 28 8.276 -3.897 1.333 1.00 0.00 H new ATOM 0 HA GLN A 28 10.277 -3.436 -0.763 1.00 0.00 H new ATOM 0 HB2 GLN A 28 8.857 -5.204 -1.906 1.00 0.00 H new ATOM 0 HB3 GLN A 28 9.448 -5.698 -0.332 1.00 0.00 H new ATOM 0 HG2 GLN A 28 6.699 -4.439 -0.608 1.00 0.00 H new ATOM 0 HG3 GLN A 28 6.933 -6.140 -0.958 1.00 0.00 H new ATOM 0 HE21 GLN A 28 8.408 -7.265 0.926 1.00 0.00 H new ATOM 0 HE22 GLN A 28 7.844 -6.895 2.559 1.00 0.00 H new ATOM 400 N LYS A 29 9.071 -1.373 -1.478 1.00 0.00 N ATOM 401 CA LYS A 29 8.585 -0.198 -2.264 1.00 0.00 C ATOM 402 C LYS A 29 8.761 -0.305 -3.799 1.00 0.00 C ATOM 403 O LYS A 29 8.721 0.703 -4.477 1.00 0.00 O ATOM 404 CB LYS A 29 9.336 1.033 -1.707 1.00 0.00 C ATOM 405 CG LYS A 29 10.867 0.886 -1.969 1.00 0.00 C ATOM 406 CD LYS A 29 11.659 2.073 -1.366 1.00 0.00 C ATOM 407 CE LYS A 29 11.653 2.027 0.179 1.00 0.00 C ATOM 408 NZ LYS A 29 12.320 0.783 0.661 1.00 0.00 N ATOM 0 H LYS A 29 9.925 -1.180 -0.955 1.00 0.00 H new ATOM 0 HA LYS A 29 7.504 -0.129 -2.141 1.00 0.00 H new ATOM 0 HB2 LYS A 29 8.963 1.942 -2.180 1.00 0.00 H new ATOM 0 HB3 LYS A 29 9.149 1.130 -0.638 1.00 0.00 H new ATOM 0 HG2 LYS A 29 11.224 -0.049 -1.537 1.00 0.00 H new ATOM 0 HG3 LYS A 29 11.051 0.831 -3.042 1.00 0.00 H new ATOM 0 HD2 LYS A 29 12.687 2.048 -1.728 1.00 0.00 H new ATOM 0 HD3 LYS A 29 11.224 3.013 -1.705 1.00 0.00 H new ATOM 0 HE2 LYS A 29 12.167 2.902 0.578 1.00 0.00 H new ATOM 0 HE3 LYS A 29 10.628 2.064 0.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 12.762 0.962 1.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 11.614 0.025 0.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 13.049 0.493 -0.021 1.00 0.00 H new ATOM 422 N GLY A 30 8.946 -1.497 -4.310 1.00 0.00 N ATOM 423 CA GLY A 30 9.125 -1.677 -5.789 1.00 0.00 C ATOM 424 C GLY A 30 7.852 -1.350 -6.578 1.00 0.00 C ATOM 425 O GLY A 30 7.761 -0.306 -7.191 1.00 0.00 O ATOM 0 H GLY A 30 8.981 -2.359 -3.766 1.00 0.00 H new ATOM 0 HA2 GLY A 30 9.937 -1.037 -6.134 1.00 0.00 H new ATOM 0 HA3 GLY A 30 9.421 -2.706 -5.993 1.00 0.00 H new ATOM 429 N GLY A 31 6.915 -2.264 -6.535 1.00 0.00 N ATOM 430 CA GLY A 31 5.607 -2.098 -7.249 1.00 0.00 C ATOM 431 C GLY A 31 4.477 -2.397 -6.263 1.00 0.00 C ATOM 432 O GLY A 31 4.757 -2.891 -5.190 1.00 0.00 O ATOM 0 H GLY A 31 7.003 -3.141 -6.022 1.00 0.00 H new ATOM 0 HA2 GLY A 31 5.513 -1.084 -7.637 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.553 -2.773 -8.103 1.00 0.00 H new ATOM 436 N TYR A 32 3.246 -2.094 -6.612 1.00 0.00 N ATOM 437 CA TYR A 32 2.119 -2.378 -5.659 1.00 0.00 C ATOM 438 C TYR A 32 0.707 -2.416 -6.271 1.00 0.00 C ATOM 439 O TYR A 32 0.312 -1.513 -6.984 1.00 0.00 O ATOM 440 CB TYR A 32 2.175 -1.320 -4.541 1.00 0.00 C ATOM 441 CG TYR A 32 2.043 0.063 -5.158 1.00 0.00 C ATOM 442 CD1 TYR A 32 3.152 0.701 -5.662 1.00 0.00 C ATOM 443 CD2 TYR A 32 0.818 0.678 -5.226 1.00 0.00 C ATOM 444 CE1 TYR A 32 3.037 1.942 -6.228 1.00 0.00 C ATOM 445 CE2 TYR A 32 0.700 1.919 -5.791 1.00 0.00 C ATOM 446 CZ TYR A 32 1.808 2.567 -6.300 1.00 0.00 C ATOM 447 OH TYR A 32 1.690 3.816 -6.875 1.00 0.00 O ATOM 0 H TYR A 32 2.975 -1.670 -7.499 1.00 0.00 H new ATOM 0 HA TYR A 32 2.275 -3.393 -5.294 1.00 0.00 H new ATOM 0 HB2 TYR A 32 1.373 -1.489 -3.823 1.00 0.00 H new ATOM 0 HB3 TYR A 32 3.115 -1.400 -3.994 1.00 0.00 H new ATOM 0 HD1 TYR A 32 4.118 0.221 -5.611 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -0.056 0.181 -4.832 1.00 0.00 H new ATOM 0 HE1 TYR A 32 3.914 2.436 -6.621 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -0.268 2.396 -5.839 1.00 0.00 H new ATOM 0 HH TYR A 32 0.754 4.105 -6.841 1.00 0.00 H new ATOM 457 N ASP A 33 -0.016 -3.464 -5.963 1.00 0.00 N ATOM 458 CA ASP A 33 -1.405 -3.626 -6.492 1.00 0.00 C ATOM 459 C ASP A 33 -2.453 -3.574 -5.381 1.00 0.00 C ATOM 460 O ASP A 33 -2.656 -4.546 -4.676 1.00 0.00 O ATOM 461 CB ASP A 33 -1.536 -4.985 -7.226 1.00 0.00 C ATOM 462 CG ASP A 33 -0.845 -5.015 -8.606 1.00 0.00 C ATOM 463 OD1 ASP A 33 0.002 -4.176 -8.853 1.00 0.00 O ATOM 464 OD2 ASP A 33 -1.216 -5.901 -9.356 1.00 0.00 O ATOM 0 H ASP A 33 0.301 -4.223 -5.360 1.00 0.00 H new ATOM 0 HA ASP A 33 -1.584 -2.797 -7.177 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -1.110 -5.769 -6.599 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -2.593 -5.218 -7.354 1.00 0.00 H new ATOM 469 N PHE A 34 -3.093 -2.442 -5.249 1.00 0.00 N ATOM 470 CA PHE A 34 -4.135 -2.318 -4.192 1.00 0.00 C ATOM 471 C PHE A 34 -5.404 -3.004 -4.697 1.00 0.00 C ATOM 472 O PHE A 34 -5.639 -3.076 -5.887 1.00 0.00 O ATOM 473 CB PHE A 34 -4.450 -0.829 -3.896 1.00 0.00 C ATOM 474 CG PHE A 34 -5.565 -0.775 -2.825 1.00 0.00 C ATOM 475 CD1 PHE A 34 -5.350 -1.310 -1.567 1.00 0.00 C ATOM 476 CD2 PHE A 34 -6.799 -0.214 -3.107 1.00 0.00 C ATOM 477 CE1 PHE A 34 -6.341 -1.291 -0.610 1.00 0.00 C ATOM 478 CE2 PHE A 34 -7.795 -0.193 -2.148 1.00 0.00 C ATOM 479 CZ PHE A 34 -7.565 -0.733 -0.898 1.00 0.00 C ATOM 0 H PHE A 34 -2.942 -1.610 -5.819 1.00 0.00 H new ATOM 0 HA PHE A 34 -3.774 -2.781 -3.274 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -3.557 -0.315 -3.541 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -4.771 -0.320 -4.805 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -4.392 -1.749 -1.332 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -6.985 0.210 -4.083 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -6.157 -1.714 0.366 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -8.755 0.247 -2.377 1.00 0.00 H new ATOM 0 HZ PHE A 34 -8.343 -0.717 -0.149 1.00 0.00 H new ATOM 489 N SER A 35 -6.166 -3.494 -3.756 1.00 0.00 N ATOM 490 CA SER A 35 -7.443 -4.186 -4.057 1.00 0.00 C ATOM 491 C SER A 35 -8.491 -3.676 -3.071 1.00 0.00 C ATOM 492 O SER A 35 -8.170 -3.349 -1.947 1.00 0.00 O ATOM 493 CB SER A 35 -7.208 -5.690 -3.904 1.00 0.00 C ATOM 494 OG SER A 35 -6.778 -5.882 -2.564 1.00 0.00 O ATOM 0 H SER A 35 -5.945 -3.439 -2.762 1.00 0.00 H new ATOM 0 HA SER A 35 -7.793 -3.991 -5.071 1.00 0.00 H new ATOM 0 HB2 SER A 35 -8.121 -6.251 -4.105 1.00 0.00 H new ATOM 0 HB3 SER A 35 -6.456 -6.042 -4.610 1.00 0.00 H new ATOM 0 HG SER A 35 -5.854 -5.570 -2.469 1.00 0.00 H new ATOM 500 N TYR A 36 -9.710 -3.622 -3.534 1.00 0.00 N ATOM 501 CA TYR A 36 -10.851 -3.145 -2.695 1.00 0.00 C ATOM 502 C TYR A 36 -12.009 -4.147 -2.831 1.00 0.00 C ATOM 503 O TYR A 36 -12.092 -4.868 -3.807 1.00 0.00 O ATOM 504 CB TYR A 36 -11.306 -1.756 -3.187 1.00 0.00 C ATOM 505 CG TYR A 36 -12.587 -1.353 -2.431 1.00 0.00 C ATOM 506 CD1 TYR A 36 -12.513 -0.780 -1.182 1.00 0.00 C ATOM 507 CD2 TYR A 36 -13.834 -1.579 -2.986 1.00 0.00 C ATOM 508 CE1 TYR A 36 -13.658 -0.438 -0.493 1.00 0.00 C ATOM 509 CE2 TYR A 36 -14.979 -1.238 -2.298 1.00 0.00 C ATOM 510 CZ TYR A 36 -14.899 -0.665 -1.047 1.00 0.00 C ATOM 511 OH TYR A 36 -16.044 -0.329 -0.357 1.00 0.00 O ATOM 0 H TYR A 36 -9.971 -3.895 -4.482 1.00 0.00 H new ATOM 0 HA TYR A 36 -10.544 -3.069 -1.652 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -10.520 -1.020 -3.016 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -11.493 -1.779 -4.261 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -11.547 -0.596 -0.736 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -13.911 -2.026 -3.966 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -13.581 0.010 0.487 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -15.946 -1.421 -2.743 1.00 0.00 H new ATOM 0 HH TYR A 36 -16.830 -0.557 -0.896 1.00 0.00 H new ATOM 521 N THR A 37 -12.867 -4.153 -1.843 1.00 0.00 N ATOM 522 CA THR A 37 -14.046 -5.078 -1.857 1.00 0.00 C ATOM 523 C THR A 37 -15.073 -4.595 -0.824 1.00 0.00 C ATOM 524 O THR A 37 -16.250 -4.876 -0.930 1.00 0.00 O ATOM 525 CB THR A 37 -13.564 -6.529 -1.534 1.00 0.00 C ATOM 526 OG1 THR A 37 -14.745 -7.321 -1.500 1.00 0.00 O ATOM 527 CG2 THR A 37 -12.953 -6.670 -0.132 1.00 0.00 C ATOM 0 H THR A 37 -12.803 -3.553 -1.020 1.00 0.00 H new ATOM 0 HA THR A 37 -14.517 -5.082 -2.840 1.00 0.00 H new ATOM 0 HB THR A 37 -12.814 -6.812 -2.273 1.00 0.00 H new ATOM 0 HG1 THR A 37 -14.509 -8.251 -1.302 1.00 0.00 H new ATOM 0 HG21 THR A 37 -12.640 -7.702 0.026 1.00 0.00 H new ATOM 0 HG22 THR A 37 -12.089 -6.011 -0.044 1.00 0.00 H new ATOM 0 HG23 THR A 37 -13.696 -6.397 0.618 1.00 0.00 H new ATOM 535 N GLY A 38 -14.570 -3.875 0.144 1.00 0.00 N ATOM 536 CA GLY A 38 -15.411 -3.319 1.235 1.00 0.00 C ATOM 537 C GLY A 38 -14.587 -2.315 2.041 1.00 0.00 C ATOM 538 O GLY A 38 -15.134 -1.420 2.657 1.00 0.00 O ATOM 0 H GLY A 38 -13.579 -3.645 0.222 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -16.293 -2.833 0.819 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -15.765 -4.121 1.883 1.00 0.00 H new ATOM 542 N GLN A 39 -13.289 -2.505 2.004 1.00 0.00 N ATOM 543 CA GLN A 39 -12.348 -1.612 2.742 1.00 0.00 C ATOM 544 C GLN A 39 -11.279 -0.963 1.858 1.00 0.00 C ATOM 545 O GLN A 39 -10.462 -1.619 1.241 1.00 0.00 O ATOM 546 CB GLN A 39 -11.668 -2.424 3.853 1.00 0.00 C ATOM 547 CG GLN A 39 -12.660 -2.681 4.998 1.00 0.00 C ATOM 548 CD GLN A 39 -13.765 -3.679 4.628 1.00 0.00 C ATOM 549 OE1 GLN A 39 -13.574 -4.603 3.860 1.00 0.00 O ATOM 550 NE2 GLN A 39 -14.944 -3.524 5.163 1.00 0.00 N ATOM 0 H GLN A 39 -12.837 -3.256 1.483 1.00 0.00 H new ATOM 0 HA GLN A 39 -12.942 -0.793 3.147 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -11.308 -3.372 3.453 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -10.798 -1.885 4.228 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -12.115 -3.057 5.864 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -13.117 -1.736 5.293 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -15.114 -2.752 5.808 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -15.696 -4.174 4.936 1.00 0.00 H new ATOM 559 N THR A 40 -11.347 0.343 1.849 1.00 0.00 N ATOM 560 CA THR A 40 -10.408 1.201 1.059 1.00 0.00 C ATOM 561 C THR A 40 -9.116 1.416 1.861 1.00 0.00 C ATOM 562 O THR A 40 -9.043 1.062 3.023 1.00 0.00 O ATOM 563 CB THR A 40 -11.117 2.548 0.777 1.00 0.00 C ATOM 564 OG1 THR A 40 -12.326 2.191 0.122 1.00 0.00 O ATOM 565 CG2 THR A 40 -10.390 3.404 -0.275 1.00 0.00 C ATOM 0 H THR A 40 -12.042 0.871 2.377 1.00 0.00 H new ATOM 0 HA THR A 40 -10.143 0.725 0.115 1.00 0.00 H new ATOM 0 HB THR A 40 -11.194 3.098 1.715 1.00 0.00 H new ATOM 0 HG1 THR A 40 -12.264 1.267 -0.198 1.00 0.00 H new ATOM 0 HG21 THR A 40 -10.937 4.335 -0.428 1.00 0.00 H new ATOM 0 HG22 THR A 40 -9.381 3.628 0.072 1.00 0.00 H new ATOM 0 HG23 THR A 40 -10.336 2.856 -1.216 1.00 0.00 H new ATOM 573 N ALA A 41 -8.137 1.989 1.207 1.00 0.00 N ATOM 574 CA ALA A 41 -6.825 2.263 1.866 1.00 0.00 C ATOM 575 C ALA A 41 -6.285 3.642 1.467 1.00 0.00 C ATOM 576 O ALA A 41 -6.677 4.209 0.463 1.00 0.00 O ATOM 577 CB ALA A 41 -5.832 1.182 1.451 1.00 0.00 C ATOM 0 H ALA A 41 -8.193 2.282 0.232 1.00 0.00 H new ATOM 0 HA ALA A 41 -6.963 2.255 2.947 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -4.869 1.371 1.926 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -6.205 0.206 1.762 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -5.711 1.195 0.368 1.00 0.00 H new ATOM 583 N ALA A 42 -5.393 4.128 2.293 1.00 0.00 N ATOM 584 CA ALA A 42 -4.752 5.459 2.071 1.00 0.00 C ATOM 585 C ALA A 42 -3.291 5.361 2.513 1.00 0.00 C ATOM 586 O ALA A 42 -3.004 4.851 3.577 1.00 0.00 O ATOM 587 CB ALA A 42 -5.494 6.515 2.903 1.00 0.00 C ATOM 0 H ALA A 42 -5.075 3.645 3.133 1.00 0.00 H new ATOM 0 HA ALA A 42 -4.798 5.746 1.020 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -5.033 7.490 2.747 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -6.539 6.554 2.594 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.438 6.251 3.959 1.00 0.00 H new ATOM 593 N LEU A 43 -2.408 5.857 1.684 1.00 0.00 N ATOM 594 CA LEU A 43 -0.955 5.823 1.995 1.00 0.00 C ATOM 595 C LEU A 43 -0.620 6.941 2.957 1.00 0.00 C ATOM 596 O LEU A 43 -1.422 7.815 3.209 1.00 0.00 O ATOM 597 CB LEU A 43 -0.130 6.001 0.700 1.00 0.00 C ATOM 598 CG LEU A 43 0.016 4.688 -0.119 1.00 0.00 C ATOM 599 CD1 LEU A 43 0.860 3.641 0.621 1.00 0.00 C ATOM 600 CD2 LEU A 43 -1.310 4.068 -0.426 1.00 0.00 C ATOM 0 H LEU A 43 -2.641 6.291 0.791 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.711 4.861 2.446 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.604 6.759 0.077 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.862 6.373 0.957 1.00 0.00 H new ATOM 0 HG LEU A 43 0.512 4.978 -1.045 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.936 2.740 0.013 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.857 4.041 0.804 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.386 3.398 1.572 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.160 3.153 -0.999 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.826 3.832 0.505 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.912 4.766 -1.008 1.00 0.00 H new ATOM 612 N TYR A 44 0.580 6.851 3.449 1.00 0.00 N ATOM 613 CA TYR A 44 1.102 7.853 4.423 1.00 0.00 C ATOM 614 C TYR A 44 2.627 7.932 4.345 1.00 0.00 C ATOM 615 O TYR A 44 3.298 6.929 4.500 1.00 0.00 O ATOM 616 CB TYR A 44 0.667 7.422 5.832 1.00 0.00 C ATOM 617 CG TYR A 44 -0.808 7.746 6.109 1.00 0.00 C ATOM 618 CD1 TYR A 44 -1.180 9.000 6.553 1.00 0.00 C ATOM 619 CD2 TYR A 44 -1.782 6.783 5.920 1.00 0.00 C ATOM 620 CE1 TYR A 44 -2.506 9.283 6.806 1.00 0.00 C ATOM 621 CE2 TYR A 44 -3.105 7.072 6.173 1.00 0.00 C ATOM 622 CZ TYR A 44 -3.476 8.322 6.618 1.00 0.00 C ATOM 623 OH TYR A 44 -4.802 8.605 6.869 1.00 0.00 O ATOM 0 H TYR A 44 1.239 6.109 3.213 1.00 0.00 H new ATOM 0 HA TYR A 44 0.703 8.840 4.189 1.00 0.00 H new ATOM 0 HB2 TYR A 44 0.830 6.351 5.949 1.00 0.00 H new ATOM 0 HB3 TYR A 44 1.292 7.922 6.572 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -0.429 9.762 6.703 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -1.504 5.799 5.572 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -2.787 10.266 7.154 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -3.858 6.312 6.021 1.00 0.00 H new ATOM 0 HH TYR A 44 -5.347 7.812 6.682 1.00 0.00 H new ATOM 633 N ASN A 45 3.133 9.118 4.109 1.00 0.00 N ATOM 634 CA ASN A 45 4.617 9.295 4.021 1.00 0.00 C ATOM 635 C ASN A 45 5.194 9.126 5.434 1.00 0.00 C ATOM 636 O ASN A 45 6.314 8.686 5.595 1.00 0.00 O ATOM 637 CB ASN A 45 4.930 10.696 3.475 1.00 0.00 C ATOM 638 CG ASN A 45 4.299 10.864 2.091 1.00 0.00 C ATOM 639 OD1 ASN A 45 3.308 11.702 1.962 1.00 0.00 O flip ATOM 640 ND2 ASN A 45 4.696 10.242 1.124 1.00 0.00 N flip ATOM 0 H ASN A 45 2.586 9.968 3.974 1.00 0.00 H new ATOM 0 HA ASN A 45 5.060 8.559 3.350 1.00 0.00 H new ATOM 0 HB2 ASN A 45 4.545 11.456 4.155 1.00 0.00 H new ATOM 0 HB3 ASN A 45 6.009 10.840 3.413 1.00 0.00 H new ATOM 0 HD21 ASN A 45 5.471 9.586 1.223 1.00 0.00 H new ATOM 0 HD22 ASN A 45 4.254 10.376 0.215 1.00 0.00 H new ATOM 647 N GLN A 46 4.410 9.495 6.415 1.00 0.00 N ATOM 648 CA GLN A 46 4.817 9.385 7.840 1.00 0.00 C ATOM 649 C GLN A 46 4.394 7.997 8.359 1.00 0.00 C ATOM 650 O GLN A 46 3.211 7.730 8.466 1.00 0.00 O ATOM 651 CB GLN A 46 4.106 10.478 8.628 1.00 0.00 C ATOM 652 CG GLN A 46 4.534 11.897 8.208 1.00 0.00 C ATOM 653 CD GLN A 46 4.392 12.185 6.710 1.00 0.00 C ATOM 654 OE1 GLN A 46 3.222 12.056 6.142 1.00 0.00 O flip ATOM 655 NE2 GLN A 46 5.349 12.532 6.046 1.00 0.00 N flip ATOM 0 H GLN A 46 3.475 9.880 6.277 1.00 0.00 H new ATOM 0 HA GLN A 46 5.895 9.501 7.951 1.00 0.00 H new ATOM 0 HB2 GLN A 46 3.029 10.374 8.493 1.00 0.00 H new ATOM 0 HB3 GLN A 46 4.308 10.343 9.690 1.00 0.00 H new ATOM 0 HG2 GLN A 46 3.938 12.622 8.763 1.00 0.00 H new ATOM 0 HG3 GLN A 46 5.574 12.050 8.498 1.00 0.00 H new ATOM 0 HE21 GLN A 46 6.264 12.634 6.485 1.00 0.00 H new ATOM 0 HE22 GLN A 46 5.237 12.721 5.050 1.00 0.00 H new ATOM 664 N ALA A 47 5.364 7.163 8.652 1.00 0.00 N ATOM 665 CA ALA A 47 5.082 5.779 9.172 1.00 0.00 C ATOM 666 C ALA A 47 3.945 5.717 10.210 1.00 0.00 C ATOM 667 O ALA A 47 3.793 6.609 11.023 1.00 0.00 O ATOM 668 CB ALA A 47 6.341 5.207 9.830 1.00 0.00 C ATOM 0 H ALA A 47 6.355 7.383 8.552 1.00 0.00 H new ATOM 0 HA ALA A 47 4.771 5.199 8.303 1.00 0.00 H new ATOM 0 HB1 ALA A 47 6.132 4.205 10.205 1.00 0.00 H new ATOM 0 HB2 ALA A 47 7.146 5.160 9.096 1.00 0.00 H new ATOM 0 HB3 ALA A 47 6.642 5.849 10.658 1.00 0.00 H new ATOM 674 N GLY A 48 3.183 4.653 10.138 1.00 0.00 N ATOM 675 CA GLY A 48 2.037 4.444 11.078 1.00 0.00 C ATOM 676 C GLY A 48 1.024 5.597 11.053 1.00 0.00 C ATOM 677 O GLY A 48 0.546 6.010 12.092 1.00 0.00 O ATOM 0 H GLY A 48 3.309 3.907 9.454 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.528 3.515 10.821 1.00 0.00 H new ATOM 0 HA3 GLY A 48 2.422 4.327 12.091 1.00 0.00 H new ATOM 681 N CYS A 49 0.735 6.078 9.866 1.00 0.00 N ATOM 682 CA CYS A 49 -0.237 7.207 9.682 1.00 0.00 C ATOM 683 C CYS A 49 0.108 8.431 10.561 1.00 0.00 C ATOM 684 O CYS A 49 -0.776 9.161 10.969 1.00 0.00 O ATOM 685 CB CYS A 49 -1.665 6.742 10.043 1.00 0.00 C ATOM 686 SG CYS A 49 -2.385 5.306 9.216 1.00 0.00 S ATOM 0 H CYS A 49 1.141 5.728 8.998 1.00 0.00 H new ATOM 0 HA CYS A 49 -0.176 7.503 8.635 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -1.679 6.540 11.114 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -2.334 7.585 9.869 1.00 0.00 H new ATOM 691 N SER A 50 1.377 8.636 10.829 1.00 0.00 N ATOM 692 CA SER A 50 1.786 9.803 11.680 1.00 0.00 C ATOM 693 C SER A 50 1.851 11.129 10.894 1.00 0.00 C ATOM 694 O SER A 50 2.624 12.020 11.187 1.00 0.00 O ATOM 695 CB SER A 50 3.155 9.442 12.309 1.00 0.00 C ATOM 696 OG SER A 50 3.446 10.500 13.211 1.00 0.00 O ATOM 0 H SER A 50 2.144 8.050 10.498 1.00 0.00 H new ATOM 0 HA SER A 50 1.035 9.977 12.451 1.00 0.00 H new ATOM 0 HB2 SER A 50 3.109 8.485 12.828 1.00 0.00 H new ATOM 0 HB3 SER A 50 3.927 9.353 11.545 1.00 0.00 H new ATOM 0 HG SER A 50 3.205 11.356 12.800 1.00 0.00 H new ATOM 702 N GLY A 51 1.004 11.190 9.906 1.00 0.00 N ATOM 703 CA GLY A 51 0.899 12.387 9.019 1.00 0.00 C ATOM 704 C GLY A 51 -0.439 12.361 8.277 1.00 0.00 C ATOM 705 O GLY A 51 -1.361 11.672 8.670 1.00 0.00 O ATOM 0 H GLY A 51 0.359 10.437 9.668 1.00 0.00 H new ATOM 0 HA2 GLY A 51 0.980 13.299 9.611 1.00 0.00 H new ATOM 0 HA3 GLY A 51 1.722 12.396 8.305 1.00 0.00 H new ATOM 709 N VAL A 52 -0.488 13.128 7.216 1.00 0.00 N ATOM 710 CA VAL A 52 -1.718 13.220 6.366 1.00 0.00 C ATOM 711 C VAL A 52 -1.500 12.226 5.217 1.00 0.00 C ATOM 712 O VAL A 52 -0.379 12.049 4.777 1.00 0.00 O ATOM 713 CB VAL A 52 -1.858 14.668 5.827 1.00 0.00 C ATOM 714 CG1 VAL A 52 -3.123 14.789 4.942 1.00 0.00 C ATOM 715 CG2 VAL A 52 -1.981 15.655 7.010 1.00 0.00 C ATOM 0 H VAL A 52 0.289 13.707 6.896 1.00 0.00 H new ATOM 0 HA VAL A 52 -2.629 12.986 6.917 1.00 0.00 H new ATOM 0 HB VAL A 52 -0.975 14.905 5.234 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -3.210 15.810 4.570 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -3.045 14.101 4.100 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -4.005 14.541 5.532 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.079 16.671 6.628 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -2.860 15.404 7.603 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.090 15.587 7.635 1.00 0.00 H new ATOM 725 N ALA A 53 -2.559 11.604 4.756 1.00 0.00 N ATOM 726 CA ALA A 53 -2.392 10.625 3.639 1.00 0.00 C ATOM 727 C ALA A 53 -1.992 11.295 2.328 1.00 0.00 C ATOM 728 O ALA A 53 -2.359 12.421 2.052 1.00 0.00 O ATOM 729 CB ALA A 53 -3.693 9.856 3.412 1.00 0.00 C ATOM 0 H ALA A 53 -3.512 11.729 5.097 1.00 0.00 H new ATOM 0 HA ALA A 53 -1.590 9.949 3.937 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -3.558 9.146 2.596 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -3.961 9.317 4.321 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -4.489 10.555 3.157 1.00 0.00 H new ATOM 735 N HIS A 54 -1.240 10.546 1.566 1.00 0.00 N ATOM 736 CA HIS A 54 -0.743 11.023 0.244 1.00 0.00 C ATOM 737 C HIS A 54 -1.668 10.540 -0.884 1.00 0.00 C ATOM 738 O HIS A 54 -2.362 11.337 -1.488 1.00 0.00 O ATOM 739 CB HIS A 54 0.686 10.483 0.089 1.00 0.00 C ATOM 740 CG HIS A 54 1.322 10.949 -1.226 1.00 0.00 C ATOM 741 ND1 HIS A 54 0.807 10.769 -2.397 1.00 0.00 N ATOM 742 CD2 HIS A 54 2.510 11.615 -1.478 1.00 0.00 C ATOM 743 CE1 HIS A 54 1.584 11.267 -3.302 1.00 0.00 C ATOM 744 NE2 HIS A 54 2.656 11.805 -2.775 1.00 0.00 N ATOM 0 H HIS A 54 -0.943 9.602 1.812 1.00 0.00 H new ATOM 0 HA HIS A 54 -0.738 12.111 0.187 1.00 0.00 H new ATOM 0 HB2 HIS A 54 1.296 10.818 0.928 1.00 0.00 H new ATOM 0 HB3 HIS A 54 0.670 9.394 0.121 1.00 0.00 H new ATOM 0 HD2 HIS A 54 3.214 11.932 -0.723 1.00 0.00 H new ATOM 0 HE1 HIS A 54 1.375 11.243 -4.361 1.00 0.00 H new ATOM 0 HE2 HIS A 54 3.428 12.266 -3.258 1.00 0.00 H new ATOM 752 N THR A 55 -1.649 9.251 -1.130 1.00 0.00 N ATOM 753 CA THR A 55 -2.500 8.650 -2.207 1.00 0.00 C ATOM 754 C THR A 55 -3.589 7.758 -1.612 1.00 0.00 C ATOM 755 O THR A 55 -3.308 6.777 -0.953 1.00 0.00 O ATOM 756 CB THR A 55 -1.610 7.819 -3.151 1.00 0.00 C ATOM 757 OG1 THR A 55 -0.740 8.777 -3.734 1.00 0.00 O ATOM 758 CG2 THR A 55 -2.409 7.259 -4.348 1.00 0.00 C ATOM 0 H THR A 55 -1.071 8.581 -0.623 1.00 0.00 H new ATOM 0 HA THR A 55 -2.983 9.456 -2.760 1.00 0.00 H new ATOM 0 HB THR A 55 -1.147 7.000 -2.600 1.00 0.00 H new ATOM 0 HG1 THR A 55 -0.268 9.264 -3.026 1.00 0.00 H new ATOM 0 HG21 THR A 55 -1.745 6.679 -4.989 1.00 0.00 H new ATOM 0 HG22 THR A 55 -3.211 6.618 -3.982 1.00 0.00 H new ATOM 0 HG23 THR A 55 -2.836 8.084 -4.919 1.00 0.00 H new ATOM 766 N ARG A 56 -4.807 8.146 -1.880 1.00 0.00 N ATOM 767 CA ARG A 56 -6.000 7.396 -1.385 1.00 0.00 C ATOM 768 C ARG A 56 -6.509 6.500 -2.522 1.00 0.00 C ATOM 769 O ARG A 56 -6.059 6.619 -3.646 1.00 0.00 O ATOM 770 CB ARG A 56 -7.055 8.431 -0.960 1.00 0.00 C ATOM 771 CG ARG A 56 -6.454 9.311 0.168 1.00 0.00 C ATOM 772 CD ARG A 56 -7.367 10.517 0.444 1.00 0.00 C ATOM 773 NE ARG A 56 -6.761 11.340 1.541 1.00 0.00 N ATOM 774 CZ ARG A 56 -5.684 12.071 1.359 1.00 0.00 C ATOM 775 NH1 ARG A 56 -5.084 12.113 0.198 1.00 0.00 N ATOM 776 NH2 ARG A 56 -5.233 12.754 2.375 1.00 0.00 N ATOM 0 H ARG A 56 -5.031 8.972 -2.435 1.00 0.00 H new ATOM 0 HA ARG A 56 -5.765 6.761 -0.531 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -7.343 9.049 -1.810 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -7.958 7.930 -0.610 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -6.335 8.720 1.076 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -5.461 9.656 -0.120 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -7.483 11.117 -0.458 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -8.363 10.179 0.732 1.00 0.00 H new ATOM 0 HE ARG A 56 -7.200 11.332 2.462 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -5.451 11.573 -0.585 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -4.249 12.686 0.076 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -5.714 12.709 3.273 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -4.399 13.332 2.271 1.00 0.00 H new ATOM 790 N PHE A 57 -7.430 5.629 -2.198 1.00 0.00 N ATOM 791 CA PHE A 57 -8.005 4.697 -3.222 1.00 0.00 C ATOM 792 C PHE A 57 -9.538 4.699 -3.171 1.00 0.00 C ATOM 793 O PHE A 57 -10.148 5.492 -2.481 1.00 0.00 O ATOM 794 CB PHE A 57 -7.474 3.264 -2.958 1.00 0.00 C ATOM 795 CG PHE A 57 -5.947 3.200 -3.132 1.00 0.00 C ATOM 796 CD1 PHE A 57 -5.350 3.510 -4.343 1.00 0.00 C ATOM 797 CD2 PHE A 57 -5.148 2.822 -2.072 1.00 0.00 C ATOM 798 CE1 PHE A 57 -3.981 3.443 -4.485 1.00 0.00 C ATOM 799 CE2 PHE A 57 -3.780 2.754 -2.212 1.00 0.00 C ATOM 800 CZ PHE A 57 -3.194 3.065 -3.420 1.00 0.00 C ATOM 0 H PHE A 57 -7.814 5.521 -1.259 1.00 0.00 H new ATOM 0 HA PHE A 57 -7.699 5.033 -4.213 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -7.742 2.954 -1.948 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -7.951 2.564 -3.644 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -5.962 3.806 -5.182 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -5.601 2.577 -1.123 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -3.525 3.687 -5.433 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -3.166 2.457 -1.375 1.00 0.00 H new ATOM 0 HZ PHE A 57 -2.121 3.012 -3.531 1.00 0.00 H new ATOM 810 N GLY A 58 -10.096 3.792 -3.930 1.00 0.00 N ATOM 811 CA GLY A 58 -11.576 3.620 -4.026 1.00 0.00 C ATOM 812 C GLY A 58 -11.846 2.215 -4.577 1.00 0.00 C ATOM 813 O GLY A 58 -12.786 1.551 -4.185 1.00 0.00 O ATOM 0 H GLY A 58 -9.566 3.140 -4.508 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -12.040 3.743 -3.047 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -12.008 4.377 -4.681 1.00 0.00 H new ATOM 817 N SER A 59 -10.982 1.825 -5.482 1.00 0.00 N ATOM 818 CA SER A 59 -11.063 0.488 -6.144 1.00 0.00 C ATOM 819 C SER A 59 -9.638 -0.022 -6.418 1.00 0.00 C ATOM 820 O SER A 59 -8.702 0.756 -6.455 1.00 0.00 O ATOM 821 CB SER A 59 -11.840 0.636 -7.466 1.00 0.00 C ATOM 822 OG SER A 59 -11.921 -0.685 -7.985 1.00 0.00 O ATOM 0 H SER A 59 -10.200 2.398 -5.798 1.00 0.00 H new ATOM 0 HA SER A 59 -11.579 -0.226 -5.502 1.00 0.00 H new ATOM 0 HB2 SER A 59 -12.831 1.057 -7.298 1.00 0.00 H new ATOM 0 HB3 SER A 59 -11.323 1.302 -8.157 1.00 0.00 H new ATOM 0 HG SER A 59 -12.409 -0.673 -8.835 1.00 0.00 H new ATOM 828 N SER A 60 -9.526 -1.316 -6.595 1.00 0.00 N ATOM 829 CA SER A 60 -8.216 -1.971 -6.873 1.00 0.00 C ATOM 830 C SER A 60 -7.326 -1.208 -7.877 1.00 0.00 C ATOM 831 O SER A 60 -7.692 -1.032 -9.023 1.00 0.00 O ATOM 832 CB SER A 60 -8.502 -3.397 -7.402 1.00 0.00 C ATOM 833 OG SER A 60 -9.299 -3.203 -8.562 1.00 0.00 O ATOM 0 H SER A 60 -10.315 -1.962 -6.556 1.00 0.00 H new ATOM 0 HA SER A 60 -7.652 -1.985 -5.940 1.00 0.00 H new ATOM 0 HB2 SER A 60 -7.578 -3.923 -7.641 1.00 0.00 H new ATOM 0 HB3 SER A 60 -9.026 -3.997 -6.658 1.00 0.00 H new ATOM 0 HG SER A 60 -8.963 -2.431 -9.064 1.00 0.00 H new ATOM 839 N ALA A 61 -6.185 -0.782 -7.395 1.00 0.00 N ATOM 840 CA ALA A 61 -5.207 -0.026 -8.240 1.00 0.00 C ATOM 841 C ALA A 61 -3.942 -0.885 -8.422 1.00 0.00 C ATOM 842 O ALA A 61 -3.019 -0.811 -7.635 1.00 0.00 O ATOM 843 CB ALA A 61 -4.877 1.301 -7.529 1.00 0.00 C ATOM 0 H ALA A 61 -5.884 -0.929 -6.432 1.00 0.00 H new ATOM 0 HA ALA A 61 -5.622 0.193 -9.224 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -4.165 1.868 -8.129 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -5.790 1.883 -7.403 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -4.442 1.092 -6.552 1.00 0.00 H new ATOM 849 N ARG A 62 -3.948 -1.678 -9.467 1.00 0.00 N ATOM 850 CA ARG A 62 -2.798 -2.579 -9.782 1.00 0.00 C ATOM 851 C ARG A 62 -1.571 -1.853 -10.378 1.00 0.00 C ATOM 852 O ARG A 62 -1.251 -2.009 -11.541 1.00 0.00 O ATOM 853 CB ARG A 62 -3.320 -3.654 -10.747 1.00 0.00 C ATOM 854 CG ARG A 62 -4.367 -4.535 -10.025 1.00 0.00 C ATOM 855 CD ARG A 62 -4.845 -5.647 -10.970 1.00 0.00 C ATOM 856 NE ARG A 62 -5.484 -5.009 -12.164 1.00 0.00 N ATOM 857 CZ ARG A 62 -5.767 -5.698 -13.242 1.00 0.00 C ATOM 858 NH1 ARG A 62 -5.500 -6.975 -13.307 1.00 0.00 N ATOM 859 NH2 ARG A 62 -6.320 -5.067 -14.240 1.00 0.00 N ATOM 0 H ARG A 62 -4.721 -1.738 -10.129 1.00 0.00 H new ATOM 0 HA ARG A 62 -2.432 -3.011 -8.851 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -3.767 -3.184 -11.623 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -2.494 -4.270 -11.102 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -3.932 -4.971 -9.125 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -5.213 -3.925 -9.707 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -4.006 -6.271 -11.277 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -5.556 -6.298 -10.461 1.00 0.00 H new ATOM 0 HE ARG A 62 -5.705 -4.013 -12.138 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -5.067 -7.446 -12.513 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -5.725 -7.501 -14.152 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -6.518 -4.069 -14.166 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -6.554 -5.571 -15.095 1.00 0.00 H new ATOM 873 N ALA A 63 -0.922 -1.076 -9.548 1.00 0.00 N ATOM 874 CA ALA A 63 0.290 -0.304 -9.976 1.00 0.00 C ATOM 875 C ALA A 63 1.601 -1.077 -9.747 1.00 0.00 C ATOM 876 O ALA A 63 1.603 -2.090 -9.082 1.00 0.00 O ATOM 877 CB ALA A 63 0.310 1.008 -9.191 1.00 0.00 C ATOM 0 H ALA A 63 -1.185 -0.940 -8.572 1.00 0.00 H new ATOM 0 HA ALA A 63 0.226 -0.124 -11.049 1.00 0.00 H new ATOM 0 HB1 ALA A 63 1.183 1.593 -9.482 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -0.595 1.575 -9.407 1.00 0.00 H new ATOM 0 HB3 ALA A 63 0.357 0.793 -8.124 1.00 0.00 H new ATOM 883 N CYS A 64 2.690 -0.597 -10.297 1.00 0.00 N ATOM 884 CA CYS A 64 4.000 -1.306 -10.104 1.00 0.00 C ATOM 885 C CYS A 64 5.177 -0.322 -10.045 1.00 0.00 C ATOM 886 O CYS A 64 6.324 -0.726 -10.051 1.00 0.00 O ATOM 887 CB CYS A 64 4.207 -2.322 -11.256 1.00 0.00 C ATOM 888 SG CYS A 64 2.882 -3.537 -11.464 1.00 0.00 S ATOM 0 H CYS A 64 2.732 0.248 -10.867 1.00 0.00 H new ATOM 0 HA CYS A 64 3.968 -1.830 -9.149 1.00 0.00 H new ATOM 0 HB2 CYS A 64 4.321 -1.770 -12.189 1.00 0.00 H new ATOM 0 HB3 CYS A 64 5.142 -2.855 -11.085 1.00 0.00 H new ATOM 893 N ASN A 65 4.864 0.948 -9.984 1.00 0.00 N ATOM 894 CA ASN A 65 5.918 2.000 -9.918 1.00 0.00 C ATOM 895 C ASN A 65 6.509 2.032 -8.489 1.00 0.00 C ATOM 896 O ASN A 65 5.852 1.599 -7.563 1.00 0.00 O ATOM 897 CB ASN A 65 5.269 3.343 -10.272 1.00 0.00 C ATOM 898 CG ASN A 65 4.154 3.677 -9.274 1.00 0.00 C ATOM 899 OD1 ASN A 65 2.954 3.238 -9.524 1.00 0.00 O flip ATOM 900 ND2 ASN A 65 4.362 4.331 -8.271 1.00 0.00 N flip ATOM 0 H ASN A 65 3.908 1.303 -9.977 1.00 0.00 H new ATOM 0 HA ASN A 65 6.727 1.794 -10.619 1.00 0.00 H new ATOM 0 HB2 ASN A 65 6.022 4.131 -10.263 1.00 0.00 H new ATOM 0 HB3 ASN A 65 4.862 3.302 -11.282 1.00 0.00 H new ATOM 0 HD21 ASN A 65 5.301 4.676 -8.073 1.00 0.00 H new ATOM 0 HD22 ASN A 65 3.597 4.535 -7.627 1.00 0.00 H new ATOM 907 N PRO A 66 7.714 2.532 -8.329 1.00 0.00 N ATOM 908 CA PRO A 66 8.264 2.859 -6.980 1.00 0.00 C ATOM 909 C PRO A 66 7.506 4.062 -6.397 1.00 0.00 C ATOM 910 O PRO A 66 6.942 4.842 -7.142 1.00 0.00 O ATOM 911 CB PRO A 66 9.747 3.146 -7.197 1.00 0.00 C ATOM 912 CG PRO A 66 9.961 3.289 -8.716 1.00 0.00 C ATOM 913 CD PRO A 66 8.678 2.827 -9.430 1.00 0.00 C ATOM 0 HA PRO A 66 8.145 2.048 -6.261 1.00 0.00 H new ATOM 0 HB2 PRO A 66 10.043 4.058 -6.678 1.00 0.00 H new ATOM 0 HB3 PRO A 66 10.359 2.338 -6.796 1.00 0.00 H new ATOM 0 HG2 PRO A 66 10.186 4.324 -8.972 1.00 0.00 H new ATOM 0 HG3 PRO A 66 10.812 2.689 -9.038 1.00 0.00 H new ATOM 0 HD2 PRO A 66 8.295 3.601 -10.095 1.00 0.00 H new ATOM 0 HD3 PRO A 66 8.862 1.944 -10.042 1.00 0.00 H new ATOM 921 N PHE A 67 7.514 4.176 -5.091 1.00 0.00 N ATOM 922 CA PHE A 67 6.802 5.314 -4.431 1.00 0.00 C ATOM 923 C PHE A 67 7.598 5.932 -3.274 1.00 0.00 C ATOM 924 O PHE A 67 8.785 5.697 -3.150 1.00 0.00 O ATOM 925 CB PHE A 67 5.425 4.785 -3.946 1.00 0.00 C ATOM 926 CG PHE A 67 5.458 3.665 -2.869 1.00 0.00 C ATOM 927 CD1 PHE A 67 6.212 3.737 -1.704 1.00 0.00 C ATOM 928 CD2 PHE A 67 4.658 2.547 -3.053 1.00 0.00 C ATOM 929 CE1 PHE A 67 6.160 2.738 -0.769 1.00 0.00 C ATOM 930 CE2 PHE A 67 4.607 1.547 -2.113 1.00 0.00 C ATOM 931 CZ PHE A 67 5.359 1.650 -0.972 1.00 0.00 C ATOM 0 H PHE A 67 7.982 3.531 -4.455 1.00 0.00 H new ATOM 0 HA PHE A 67 6.677 6.121 -5.153 1.00 0.00 H new ATOM 0 HB2 PHE A 67 4.856 5.626 -3.548 1.00 0.00 H new ATOM 0 HB3 PHE A 67 4.878 4.411 -4.812 1.00 0.00 H new ATOM 0 HD1 PHE A 67 6.848 4.593 -1.534 1.00 0.00 H new ATOM 0 HD2 PHE A 67 4.065 2.461 -3.951 1.00 0.00 H new ATOM 0 HE1 PHE A 67 6.753 2.810 0.131 1.00 0.00 H new ATOM 0 HE2 PHE A 67 3.978 0.684 -2.272 1.00 0.00 H new ATOM 0 HZ PHE A 67 5.318 0.867 -0.229 1.00 0.00 H new ATOM 941 N GLY A 68 6.910 6.705 -2.463 1.00 0.00 N ATOM 942 CA GLY A 68 7.553 7.375 -1.291 1.00 0.00 C ATOM 943 C GLY A 68 6.674 7.333 -0.028 1.00 0.00 C ATOM 944 O GLY A 68 6.793 8.209 0.807 1.00 0.00 O ATOM 0 H GLY A 68 5.915 6.901 -2.568 1.00 0.00 H new ATOM 0 HA2 GLY A 68 8.508 6.893 -1.081 1.00 0.00 H new ATOM 0 HA3 GLY A 68 7.769 8.413 -1.544 1.00 0.00 H new ATOM 948 N TRP A 69 5.822 6.339 0.093 1.00 0.00 N ATOM 949 CA TRP A 69 4.942 6.239 1.297 1.00 0.00 C ATOM 950 C TRP A 69 5.648 5.325 2.306 1.00 0.00 C ATOM 951 O TRP A 69 6.099 4.258 1.942 1.00 0.00 O ATOM 952 CB TRP A 69 3.609 5.644 0.871 1.00 0.00 C ATOM 953 CG TRP A 69 3.015 6.478 -0.277 1.00 0.00 C ATOM 954 CD1 TRP A 69 2.773 7.822 -0.234 1.00 0.00 C ATOM 955 CD2 TRP A 69 2.652 6.017 -1.511 1.00 0.00 C ATOM 956 NE1 TRP A 69 2.291 8.101 -1.418 1.00 0.00 N ATOM 957 CE2 TRP A 69 2.179 7.096 -2.253 1.00 0.00 C ATOM 958 CE3 TRP A 69 2.661 4.750 -2.092 1.00 0.00 C ATOM 959 CZ2 TRP A 69 1.727 6.923 -3.554 1.00 0.00 C ATOM 960 CZ3 TRP A 69 2.205 4.571 -3.397 1.00 0.00 C ATOM 961 CH2 TRP A 69 1.739 5.658 -4.128 1.00 0.00 C ATOM 0 H TRP A 69 5.701 5.594 -0.593 1.00 0.00 H new ATOM 0 HA TRP A 69 4.759 7.213 1.750 1.00 0.00 H new ATOM 0 HB2 TRP A 69 3.746 4.611 0.551 1.00 0.00 H new ATOM 0 HB3 TRP A 69 2.920 5.627 1.716 1.00 0.00 H new ATOM 0 HD1 TRP A 69 2.941 8.500 0.590 1.00 0.00 H new ATOM 0 HE1 TRP A 69 2.017 9.049 -1.677 1.00 0.00 H new ATOM 0 HE3 TRP A 69 3.023 3.903 -1.528 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 1.367 7.770 -4.119 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 2.214 3.586 -3.841 1.00 0.00 H new ATOM 0 HH2 TRP A 69 1.387 5.519 -5.140 1.00 0.00 H new ATOM 972 N LYS A 70 5.726 5.757 3.539 1.00 0.00 N ATOM 973 CA LYS A 70 6.404 4.929 4.580 1.00 0.00 C ATOM 974 C LYS A 70 5.418 3.931 5.193 1.00 0.00 C ATOM 975 O LYS A 70 5.846 2.971 5.799 1.00 0.00 O ATOM 976 CB LYS A 70 6.966 5.869 5.666 1.00 0.00 C ATOM 977 CG LYS A 70 8.014 5.137 6.523 1.00 0.00 C ATOM 978 CD LYS A 70 8.747 6.181 7.399 1.00 0.00 C ATOM 979 CE LYS A 70 9.805 5.486 8.273 1.00 0.00 C ATOM 980 NZ LYS A 70 10.834 4.832 7.415 1.00 0.00 N ATOM 0 H LYS A 70 5.350 6.646 3.869 1.00 0.00 H new ATOM 0 HA LYS A 70 7.218 4.361 4.129 1.00 0.00 H new ATOM 0 HB2 LYS A 70 7.417 6.745 5.199 1.00 0.00 H new ATOM 0 HB3 LYS A 70 6.155 6.227 6.300 1.00 0.00 H new ATOM 0 HG2 LYS A 70 7.533 4.387 7.150 1.00 0.00 H new ATOM 0 HG3 LYS A 70 8.725 4.611 5.885 1.00 0.00 H new ATOM 0 HD2 LYS A 70 9.222 6.930 6.765 1.00 0.00 H new ATOM 0 HD3 LYS A 70 8.030 6.706 8.030 1.00 0.00 H new ATOM 0 HE2 LYS A 70 10.279 6.214 8.931 1.00 0.00 H new ATOM 0 HE3 LYS A 70 9.328 4.743 8.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 11.671 4.605 7.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 10.444 3.957 7.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 11.106 5.477 6.646 1.00 0.00 H new ATOM 994 N SER A 71 4.142 4.186 5.017 1.00 0.00 N ATOM 995 CA SER A 71 3.087 3.283 5.572 1.00 0.00 C ATOM 996 C SER A 71 1.754 3.388 4.823 1.00 0.00 C ATOM 997 O SER A 71 1.616 4.149 3.884 1.00 0.00 O ATOM 998 CB SER A 71 2.878 3.624 7.067 1.00 0.00 C ATOM 999 OG SER A 71 2.551 5.008 7.083 1.00 0.00 O ATOM 0 H SER A 71 3.784 4.993 4.505 1.00 0.00 H new ATOM 0 HA SER A 71 3.431 2.256 5.450 1.00 0.00 H new ATOM 0 HB2 SER A 71 2.078 3.024 7.501 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.778 3.424 7.648 1.00 0.00 H new ATOM 0 HG SER A 71 3.339 5.533 6.830 1.00 0.00 H new ATOM 1005 N ILE A 72 0.817 2.597 5.288 1.00 0.00 N ATOM 1006 CA ILE A 72 -0.544 2.551 4.692 1.00 0.00 C ATOM 1007 C ILE A 72 -1.588 2.113 5.721 1.00 0.00 C ATOM 1008 O ILE A 72 -1.343 1.252 6.545 1.00 0.00 O ATOM 1009 CB ILE A 72 -0.534 1.565 3.499 1.00 0.00 C ATOM 1010 CG1 ILE A 72 -1.964 1.480 2.902 1.00 0.00 C ATOM 1011 CG2 ILE A 72 -0.056 0.152 3.957 1.00 0.00 C ATOM 1012 CD1 ILE A 72 -1.912 0.833 1.534 1.00 0.00 C ATOM 0 H ILE A 72 0.949 1.966 6.078 1.00 0.00 H new ATOM 0 HA ILE A 72 -0.813 3.551 4.353 1.00 0.00 H new ATOM 0 HB ILE A 72 0.160 1.926 2.740 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -2.610 0.902 3.563 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -2.396 2.478 2.826 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -0.056 -0.526 3.104 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.953 0.223 4.364 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -0.730 -0.229 4.724 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.919 0.776 1.120 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.281 1.428 0.874 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.499 -0.172 1.622 1.00 0.00 H new ATOM 1024 N PHE A 73 -2.725 2.743 5.609 1.00 0.00 N ATOM 1025 CA PHE A 73 -3.879 2.465 6.507 1.00 0.00 C ATOM 1026 C PHE A 73 -4.904 1.652 5.717 1.00 0.00 C ATOM 1027 O PHE A 73 -5.191 1.974 4.580 1.00 0.00 O ATOM 1028 CB PHE A 73 -4.500 3.791 6.959 1.00 0.00 C ATOM 1029 CG PHE A 73 -5.783 3.512 7.761 1.00 0.00 C ATOM 1030 CD1 PHE A 73 -5.721 2.935 9.017 1.00 0.00 C ATOM 1031 CD2 PHE A 73 -7.017 3.832 7.226 1.00 0.00 C ATOM 1032 CE1 PHE A 73 -6.878 2.682 9.725 1.00 0.00 C ATOM 1033 CE2 PHE A 73 -8.173 3.578 7.934 1.00 0.00 C ATOM 1034 CZ PHE A 73 -8.105 3.003 9.184 1.00 0.00 C ATOM 0 H PHE A 73 -2.906 3.462 4.909 1.00 0.00 H new ATOM 0 HA PHE A 73 -3.558 1.910 7.388 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -3.790 4.347 7.571 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -4.728 4.412 6.092 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -4.763 2.681 9.445 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -7.076 4.284 6.247 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -6.822 2.232 10.705 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -9.133 3.830 7.508 1.00 0.00 H new ATOM 0 HZ PHE A 73 -9.010 2.804 9.739 1.00 0.00 H new ATOM 1044 N ILE A 74 -5.417 0.627 6.348 1.00 0.00 N ATOM 1045 CA ILE A 74 -6.435 -0.251 5.692 1.00 0.00 C ATOM 1046 C ILE A 74 -7.671 -0.243 6.598 1.00 0.00 C ATOM 1047 O ILE A 74 -7.558 -0.410 7.798 1.00 0.00 O ATOM 1048 CB ILE A 74 -5.896 -1.706 5.562 1.00 0.00 C ATOM 1049 CG1 ILE A 74 -4.490 -1.763 4.885 1.00 0.00 C ATOM 1050 CG2 ILE A 74 -6.908 -2.561 4.749 1.00 0.00 C ATOM 1051 CD1 ILE A 74 -4.518 -1.230 3.437 1.00 0.00 C ATOM 0 H ILE A 74 -5.172 0.357 7.301 1.00 0.00 H new ATOM 0 HA ILE A 74 -6.668 0.111 4.691 1.00 0.00 H new ATOM 0 HB ILE A 74 -5.784 -2.107 6.569 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -3.782 -1.178 5.472 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -4.130 -2.792 4.885 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -6.532 -3.580 4.657 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -7.869 -2.574 5.263 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -7.033 -2.130 3.756 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -3.518 -1.290 3.008 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -5.205 -1.831 2.841 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -4.851 -0.192 3.438 1.00 0.00 H new ATOM 1063 N GLN A 75 -8.814 -0.045 5.994 1.00 0.00 N ATOM 1064 CA GLN A 75 -10.094 -0.021 6.771 1.00 0.00 C ATOM 1065 C GLN A 75 -10.484 -1.462 7.133 1.00 0.00 C ATOM 1066 O GLN A 75 -9.851 -2.400 6.686 1.00 0.00 O ATOM 1067 CB GLN A 75 -11.188 0.623 5.904 1.00 0.00 C ATOM 1068 CG GLN A 75 -10.808 2.081 5.566 1.00 0.00 C ATOM 1069 CD GLN A 75 -11.881 2.730 4.674 1.00 0.00 C ATOM 1070 OE1 GLN A 75 -12.643 1.984 3.919 1.00 0.00 O flip ATOM 1071 NE2 GLN A 75 -12.035 3.934 4.656 1.00 0.00 N flip ATOM 0 H GLN A 75 -8.918 0.102 4.990 1.00 0.00 H new ATOM 0 HA GLN A 75 -9.974 0.558 7.687 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -11.319 0.051 4.985 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -12.141 0.601 6.432 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -10.696 2.655 6.486 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -9.844 2.102 5.058 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -11.449 4.532 5.239 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -12.750 4.348 4.058 1.00 0.00 H new ATOM 1080 N CYS A 76 -11.511 -1.599 7.933 1.00 0.00 N ATOM 1081 CA CYS A 76 -11.984 -2.959 8.353 1.00 0.00 C ATOM 1082 C CYS A 76 -13.487 -3.150 8.062 1.00 0.00 C ATOM 1083 O CYS A 76 -13.867 -4.302 7.935 1.00 0.00 O ATOM 1084 CB CYS A 76 -11.693 -3.111 9.844 1.00 0.00 C ATOM 1085 SG CYS A 76 -11.059 -4.723 10.357 1.00 0.00 S ATOM 1086 OXT CYS A 76 -14.175 -2.144 7.981 1.00 0.00 O ATOM 0 H CYS A 76 -12.048 -0.822 8.318 1.00 0.00 H new ATOM 0 HA CYS A 76 -11.459 -3.726 7.783 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -10.971 -2.348 10.134 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -12.610 -2.909 10.397 1.00 0.00 H new