USER MOD reduce.3.24.130724 H: found=0, std=0, add=848, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 842 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 NoAdj-H: A 29 HIS HD1 : A 29 HIS ND1 : A 123 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.034 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot -30:sc= -0.288 USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot -81:sc= 1.19 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 81:sc= 1.29 USER MOD Single : A 37 SER OG : rot 89:sc= 1.43 USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 GLN : amide:sc= 0.616 K(o=0.62,f=-5.8!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= -0.0108 USER MOD Single : A 49 SER OG : rot 180:sc= -0.766 USER MOD Single : A 50 TYR OH : rot 18:sc= 0.912 USER MOD Single : A 51 THR OG1 : rot 150:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 150:sc= 1.1 (180deg=0.523) USER MOD Single : A 53 SER OG : rot 180:sc=-0.00496 USER MOD Single : A 55 MET CE :methyl -118:sc= -0.381 (180deg=-5.27!) USER MOD Single : A 60 ASN : amide:sc= 0.61 K(o=0.61,f=-4.1!) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 HIS : no HD1:sc= -0.295 X(o=-0.3,f=-0.64) USER MOD Single : A 78 MET CE :methyl -152:sc= -0.283 (180deg=-1.16) USER MOD Single : A 80 SER OG : rot 110:sc= 0.715 USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 83:sc= 0.0976 USER MOD Single : A 93 MET CE :methyl -160:sc= 0 (180deg=-0.637) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 ASN : amide:sc= -2.27! C(o=-2.3!,f=-3.9!) USER MOD Single : A 111 THR OG1 : rot -140:sc= 0.313 USER MOD Single : A 112 GLN : amide:sc= -0.0548 X(o=-0.055,f=-0.19) USER MOD Single : A 117 ASN : amide:sc= 0.727 K(o=0.73,f=-6.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -21.763 2.590 3.634 1.00 0.00 N ATOM 2 CA GLY A 1 -21.095 2.257 2.353 1.00 0.00 C ATOM 3 C GLY A 1 -21.731 1.066 1.667 1.00 0.00 C ATOM 4 O GLY A 1 -21.531 -0.078 2.084 1.00 0.00 O ATOM 0 H1 GLY A 1 -21.294 3.411 4.067 1.00 0.00 H new ATOM 0 H2 GLY A 1 -22.762 2.817 3.456 1.00 0.00 H new ATOM 0 H3 GLY A 1 -21.702 1.776 4.279 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -21.136 3.121 1.689 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -20.042 2.047 2.539 1.00 0.00 H new ATOM 10 N SER A 2 -22.508 1.330 0.626 1.00 0.00 N ATOM 11 CA SER A 2 -23.159 0.270 -0.133 1.00 0.00 C ATOM 12 C SER A 2 -22.114 -0.579 -0.850 1.00 0.00 C ATOM 13 O SER A 2 -22.075 -1.800 -0.691 1.00 0.00 O ATOM 14 CB SER A 2 -24.145 0.877 -1.134 1.00 0.00 C ATOM 15 OG SER A 2 -24.700 2.080 -0.625 1.00 0.00 O ATOM 0 H SER A 2 -22.704 2.272 0.287 1.00 0.00 H new ATOM 0 HA SER A 2 -23.712 -0.374 0.551 1.00 0.00 H new ATOM 0 HB2 SER A 2 -23.637 1.076 -2.078 1.00 0.00 H new ATOM 0 HB3 SER A 2 -24.942 0.164 -1.345 1.00 0.00 H new ATOM 0 HG SER A 2 -25.326 2.454 -1.279 1.00 0.00 H new ATOM 21 N LEU A 3 -21.171 0.086 -1.503 1.00 0.00 N ATOM 22 CA LEU A 3 -20.029 -0.602 -2.086 1.00 0.00 C ATOM 23 C LEU A 3 -18.998 -0.864 -0.997 1.00 0.00 C ATOM 24 O LEU A 3 -18.720 0.013 -0.178 1.00 0.00 O ATOM 25 CB LEU A 3 -19.411 0.229 -3.213 1.00 0.00 C ATOM 26 CG LEU A 3 -18.145 -0.362 -3.837 1.00 0.00 C ATOM 27 CD1 LEU A 3 -18.452 -0.970 -5.197 1.00 0.00 C ATOM 28 CD2 LEU A 3 -17.067 0.704 -3.957 1.00 0.00 C ATOM 0 H LEU A 3 -21.174 1.097 -1.642 1.00 0.00 H new ATOM 0 HA LEU A 3 -20.361 -1.549 -2.512 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -20.157 0.360 -3.997 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -19.177 1.221 -2.826 1.00 0.00 H new ATOM 0 HG LEU A 3 -17.776 -1.154 -3.186 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -17.539 -1.385 -5.624 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -19.192 -1.762 -5.083 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -18.845 -0.199 -5.860 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -16.173 0.268 -4.403 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -17.428 1.517 -4.588 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -16.827 1.092 -2.967 1.00 0.00 H new ATOM 40 N SER A 4 -18.519 -2.095 -0.918 1.00 0.00 N ATOM 41 CA SER A 4 -17.618 -2.499 0.152 1.00 0.00 C ATOM 42 C SER A 4 -16.170 -2.094 -0.123 1.00 0.00 C ATOM 43 O SER A 4 -15.239 -2.802 0.271 1.00 0.00 O ATOM 44 CB SER A 4 -17.708 -4.002 0.358 1.00 0.00 C ATOM 45 OG SER A 4 -19.057 -4.439 0.290 1.00 0.00 O ATOM 0 H SER A 4 -18.740 -2.835 -1.584 1.00 0.00 H new ATOM 0 HA SER A 4 -17.931 -1.980 1.058 1.00 0.00 H new ATOM 0 HB2 SER A 4 -17.116 -4.514 -0.401 1.00 0.00 H new ATOM 0 HB3 SER A 4 -17.283 -4.267 1.326 1.00 0.00 H new ATOM 0 HG SER A 4 -19.094 -5.409 0.423 1.00 0.00 H new ATOM 51 N TRP A 5 -16.000 -0.875 -0.633 1.00 0.00 N ATOM 52 CA TRP A 5 -14.684 -0.259 -0.784 1.00 0.00 C ATOM 53 C TRP A 5 -13.669 -1.217 -1.405 1.00 0.00 C ATOM 54 O TRP A 5 -13.957 -1.892 -2.393 1.00 0.00 O ATOM 55 CB TRP A 5 -14.187 0.229 0.584 1.00 0.00 C ATOM 56 CG TRP A 5 -15.296 0.634 1.500 1.00 0.00 C ATOM 57 CD1 TRP A 5 -16.117 1.703 1.354 1.00 0.00 C ATOM 58 CD2 TRP A 5 -15.719 -0.045 2.683 1.00 0.00 C ATOM 59 NE1 TRP A 5 -17.025 1.746 2.383 1.00 0.00 N ATOM 60 CE2 TRP A 5 -16.802 0.679 3.215 1.00 0.00 C ATOM 61 CE3 TRP A 5 -15.285 -1.196 3.342 1.00 0.00 C ATOM 62 CZ2 TRP A 5 -17.453 0.288 4.382 1.00 0.00 C ATOM 63 CZ3 TRP A 5 -15.929 -1.585 4.496 1.00 0.00 C ATOM 64 CH2 TRP A 5 -17.008 -0.846 5.005 1.00 0.00 C ATOM 0 H TRP A 5 -16.770 -0.288 -0.953 1.00 0.00 H new ATOM 0 HA TRP A 5 -14.785 0.587 -1.464 1.00 0.00 H new ATOM 0 HB2 TRP A 5 -13.605 -0.562 1.056 1.00 0.00 H new ATOM 0 HB3 TRP A 5 -13.516 1.076 0.439 1.00 0.00 H new ATOM 0 HD1 TRP A 5 -16.064 2.417 0.546 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -17.747 2.455 2.508 1.00 0.00 H new ATOM 0 HE3 TRP A 5 -14.458 -1.772 2.954 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -18.279 0.859 4.781 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 -15.599 -2.472 5.017 1.00 0.00 H new ATOM 0 HH2 TRP A 5 -17.498 -1.180 5.908 1.00 0.00 H new ATOM 75 N LYS A 6 -12.493 -1.283 -0.804 1.00 0.00 N ATOM 76 CA LYS A 6 -11.438 -2.162 -1.259 1.00 0.00 C ATOM 77 C LYS A 6 -10.819 -2.876 -0.065 1.00 0.00 C ATOM 78 O LYS A 6 -11.191 -2.616 1.083 1.00 0.00 O ATOM 79 CB LYS A 6 -10.372 -1.354 -1.990 1.00 0.00 C ATOM 80 CG LYS A 6 -10.071 -1.840 -3.398 1.00 0.00 C ATOM 81 CD LYS A 6 -11.317 -1.880 -4.268 1.00 0.00 C ATOM 82 CE LYS A 6 -11.310 -0.751 -5.281 1.00 0.00 C ATOM 83 NZ LYS A 6 -12.508 -0.771 -6.155 1.00 0.00 N ATOM 0 H LYS A 6 -12.246 -0.726 0.014 1.00 0.00 H new ATOM 0 HA LYS A 6 -11.854 -2.901 -1.943 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -10.692 -0.313 -2.039 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -9.452 -1.377 -1.406 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -9.330 -1.185 -3.856 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -9.630 -2.836 -3.351 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -11.373 -2.838 -4.786 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -12.205 -1.805 -3.641 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -11.261 0.204 -4.757 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -10.413 -0.823 -5.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -12.458 0.019 -6.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -12.543 -1.670 -6.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -13.364 -0.675 -5.573 1.00 0.00 H new ATOM 97 N ARG A 7 -9.847 -3.730 -0.331 1.00 0.00 N ATOM 98 CA ARG A 7 -9.152 -4.445 0.722 1.00 0.00 C ATOM 99 C ARG A 7 -7.772 -3.838 0.950 1.00 0.00 C ATOM 100 O ARG A 7 -6.965 -3.748 0.025 1.00 0.00 O ATOM 101 CB ARG A 7 -9.037 -5.925 0.353 1.00 0.00 C ATOM 102 CG ARG A 7 -8.306 -6.764 1.385 1.00 0.00 C ATOM 103 CD ARG A 7 -6.998 -7.297 0.831 1.00 0.00 C ATOM 104 NE ARG A 7 -5.865 -6.951 1.681 1.00 0.00 N ATOM 105 CZ ARG A 7 -4.846 -7.769 1.931 1.00 0.00 C ATOM 106 NH1 ARG A 7 -4.842 -9.002 1.436 1.00 0.00 N ATOM 107 NH2 ARG A 7 -3.838 -7.354 2.691 1.00 0.00 N ATOM 0 H ARG A 7 -9.520 -3.945 -1.273 1.00 0.00 H new ATOM 0 HA ARG A 7 -9.720 -4.358 1.649 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -10.038 -6.332 0.212 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -8.520 -6.011 -0.603 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -8.110 -6.163 2.273 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -8.938 -7.596 1.696 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -7.060 -8.381 0.733 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -6.837 -6.895 -0.169 1.00 0.00 H new ATOM 0 HE ARG A 7 -5.853 -6.026 2.110 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -5.622 -9.324 0.862 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -4.059 -9.627 1.629 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -3.847 -6.411 3.080 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -3.055 -7.978 2.885 1.00 0.00 H new ATOM 121 N CYS A 8 -7.536 -3.372 2.172 1.00 0.00 N ATOM 122 CA CYS A 8 -6.286 -2.721 2.533 1.00 0.00 C ATOM 123 C CYS A 8 -5.109 -3.677 2.397 1.00 0.00 C ATOM 124 O CYS A 8 -5.088 -4.755 2.999 1.00 0.00 O ATOM 125 CB CYS A 8 -6.381 -2.191 3.966 1.00 0.00 C ATOM 126 SG CYS A 8 -4.788 -1.799 4.764 1.00 0.00 S ATOM 0 H CYS A 8 -8.207 -3.436 2.938 1.00 0.00 H new ATOM 0 HA CYS A 8 -6.117 -1.889 1.850 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -6.997 -1.292 3.962 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -6.901 -2.931 4.575 1.00 0.00 H new ATOM 131 N ALA A 9 -4.122 -3.266 1.616 1.00 0.00 N ATOM 132 CA ALA A 9 -2.921 -4.060 1.405 1.00 0.00 C ATOM 133 C ALA A 9 -1.935 -3.873 2.554 1.00 0.00 C ATOM 134 O ALA A 9 -0.843 -4.443 2.550 1.00 0.00 O ATOM 135 CB ALA A 9 -2.271 -3.689 0.080 1.00 0.00 C ATOM 0 H ALA A 9 -4.130 -2.378 1.113 1.00 0.00 H new ATOM 0 HA ALA A 9 -3.207 -5.111 1.373 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -1.374 -4.290 -0.066 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -2.971 -3.878 -0.734 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -2.003 -2.633 0.090 1.00 0.00 H new ATOM 141 N GLY A 10 -2.338 -3.091 3.548 1.00 0.00 N ATOM 142 CA GLY A 10 -1.497 -2.862 4.700 1.00 0.00 C ATOM 143 C GLY A 10 -1.707 -3.908 5.773 1.00 0.00 C ATOM 144 O GLY A 10 -0.747 -4.520 6.249 1.00 0.00 O ATOM 0 H GLY A 10 -3.237 -2.611 3.573 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -0.452 -2.864 4.392 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -1.706 -1.874 5.111 1.00 0.00 H new ATOM 148 N CYS A 11 -2.961 -4.162 6.124 1.00 0.00 N ATOM 149 CA CYS A 11 -3.262 -5.186 7.110 1.00 0.00 C ATOM 150 C CYS A 11 -3.908 -6.396 6.443 1.00 0.00 C ATOM 151 O CYS A 11 -3.222 -7.343 6.047 1.00 0.00 O ATOM 152 CB CYS A 11 -4.158 -4.629 8.230 1.00 0.00 C ATOM 153 SG CYS A 11 -5.721 -3.857 7.685 1.00 0.00 S ATOM 0 H CYS A 11 -3.775 -3.679 5.745 1.00 0.00 H new ATOM 0 HA CYS A 11 -2.325 -5.507 7.565 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -4.396 -5.441 8.917 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -3.587 -3.891 8.794 1.00 0.00 H new ATOM 158 N GLY A 12 -5.219 -6.347 6.301 1.00 0.00 N ATOM 159 CA GLY A 12 -5.944 -7.429 5.675 1.00 0.00 C ATOM 160 C GLY A 12 -7.415 -7.403 6.020 1.00 0.00 C ATOM 161 O GLY A 12 -7.874 -8.160 6.873 1.00 0.00 O ATOM 0 H GLY A 12 -5.801 -5.569 6.611 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -5.825 -7.367 4.593 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -5.515 -8.381 5.988 1.00 0.00 H new ATOM 165 N GLY A 13 -8.149 -6.511 5.379 1.00 0.00 N ATOM 166 CA GLY A 13 -9.548 -6.386 5.618 1.00 0.00 C ATOM 167 C GLY A 13 -10.127 -5.320 4.736 1.00 0.00 C ATOM 168 O GLY A 13 -9.421 -4.723 3.919 1.00 0.00 O ATOM 0 H GLY A 13 -7.780 -5.862 4.684 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -10.044 -7.337 5.426 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -9.726 -6.139 6.665 1.00 0.00 H new ATOM 172 N LYS A 14 -11.382 -5.044 4.941 1.00 0.00 N ATOM 173 CA LYS A 14 -12.073 -4.001 4.205 1.00 0.00 C ATOM 174 C LYS A 14 -11.804 -2.647 4.842 1.00 0.00 C ATOM 175 O LYS A 14 -11.869 -2.501 6.065 1.00 0.00 O ATOM 176 CB LYS A 14 -13.574 -4.280 4.158 1.00 0.00 C ATOM 177 CG LYS A 14 -13.976 -5.211 3.024 1.00 0.00 C ATOM 178 CD LYS A 14 -15.482 -5.242 2.840 1.00 0.00 C ATOM 179 CE LYS A 14 -16.071 -6.561 3.307 1.00 0.00 C ATOM 180 NZ LYS A 14 -17.464 -6.404 3.794 1.00 0.00 N ATOM 0 H LYS A 14 -11.965 -5.531 5.622 1.00 0.00 H new ATOM 0 HA LYS A 14 -11.696 -3.989 3.182 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -13.885 -4.718 5.106 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -14.109 -3.336 4.052 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -13.502 -4.885 2.098 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -13.613 -6.217 3.231 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -15.935 -4.422 3.397 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -15.725 -5.085 1.789 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -16.052 -7.278 2.486 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -15.452 -6.973 4.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -17.830 -7.327 4.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -17.479 -5.740 4.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -18.061 -6.035 3.026 1.00 0.00 H new ATOM 194 N ILE A 15 -11.430 -1.683 4.020 1.00 0.00 N ATOM 195 CA ILE A 15 -11.089 -0.356 4.505 1.00 0.00 C ATOM 196 C ILE A 15 -12.347 0.444 4.815 1.00 0.00 C ATOM 197 O ILE A 15 -12.886 1.141 3.957 1.00 0.00 O ATOM 198 CB ILE A 15 -10.228 0.415 3.487 1.00 0.00 C ATOM 199 CG1 ILE A 15 -9.236 -0.531 2.804 1.00 0.00 C ATOM 200 CG2 ILE A 15 -9.498 1.562 4.172 1.00 0.00 C ATOM 201 CD1 ILE A 15 -8.646 0.032 1.535 1.00 0.00 C ATOM 0 H ILE A 15 -11.354 -1.794 3.009 1.00 0.00 H new ATOM 0 HA ILE A 15 -10.509 -0.486 5.419 1.00 0.00 H new ATOM 0 HB ILE A 15 -10.882 0.835 2.722 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -8.429 -0.763 3.499 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -9.740 -1.470 2.576 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -8.894 2.098 3.440 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -10.225 2.245 4.612 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -8.852 1.166 4.956 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -7.953 -0.690 1.104 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -9.445 0.238 0.822 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -8.114 0.956 1.760 1.00 0.00 H new ATOM 212 N ALA A 16 -12.803 0.340 6.053 1.00 0.00 N ATOM 213 CA ALA A 16 -14.001 1.037 6.497 1.00 0.00 C ATOM 214 C ALA A 16 -13.650 2.401 7.078 1.00 0.00 C ATOM 215 O ALA A 16 -14.388 2.961 7.891 1.00 0.00 O ATOM 216 CB ALA A 16 -14.747 0.194 7.520 1.00 0.00 C ATOM 0 H ALA A 16 -12.357 -0.226 6.775 1.00 0.00 H new ATOM 0 HA ALA A 16 -14.649 1.196 5.635 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -15.642 0.725 7.846 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -15.033 -0.757 7.069 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -14.102 0.009 8.379 1.00 0.00 H new ATOM 222 N ASP A 17 -12.515 2.928 6.653 1.00 0.00 N ATOM 223 CA ASP A 17 -12.052 4.230 7.104 1.00 0.00 C ATOM 224 C ASP A 17 -12.352 5.294 6.057 1.00 0.00 C ATOM 225 O ASP A 17 -12.287 5.031 4.855 1.00 0.00 O ATOM 226 CB ASP A 17 -10.550 4.194 7.394 1.00 0.00 C ATOM 227 CG ASP A 17 -10.239 4.077 8.874 1.00 0.00 C ATOM 228 OD1 ASP A 17 -11.179 4.127 9.698 1.00 0.00 O ATOM 229 OD2 ASP A 17 -9.048 3.961 9.227 1.00 0.00 O ATOM 0 H ASP A 17 -11.891 2.469 5.989 1.00 0.00 H new ATOM 0 HA ASP A 17 -12.582 4.481 8.023 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -10.103 3.352 6.866 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -10.087 5.099 7.001 1.00 0.00 H new ATOM 234 N ARG A 18 -12.614 6.512 6.511 1.00 0.00 N ATOM 235 CA ARG A 18 -12.863 7.622 5.597 1.00 0.00 C ATOM 236 C ARG A 18 -11.547 8.265 5.182 1.00 0.00 C ATOM 237 O ARG A 18 -11.508 9.109 4.288 1.00 0.00 O ATOM 238 CB ARG A 18 -13.792 8.667 6.229 1.00 0.00 C ATOM 239 CG ARG A 18 -13.501 8.954 7.692 1.00 0.00 C ATOM 240 CD ARG A 18 -14.669 8.553 8.574 1.00 0.00 C ATOM 241 NE ARG A 18 -14.584 9.139 9.907 1.00 0.00 N ATOM 242 CZ ARG A 18 -15.062 8.556 11.004 1.00 0.00 C ATOM 243 NH1 ARG A 18 -15.635 7.361 10.933 1.00 0.00 N ATOM 244 NH2 ARG A 18 -14.942 9.158 12.176 1.00 0.00 N ATOM 0 H ARG A 18 -12.660 6.757 7.500 1.00 0.00 H new ATOM 0 HA ARG A 18 -13.360 7.226 4.712 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -13.712 9.596 5.665 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -14.823 8.325 6.135 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -12.607 8.413 8.000 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -13.292 10.016 7.822 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -15.601 8.864 8.102 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -14.701 7.467 8.659 1.00 0.00 H new ATOM 0 HE ARG A 18 -14.132 10.048 10.004 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -15.711 6.884 10.034 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -15.999 6.919 11.777 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -14.484 10.067 12.238 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -15.308 8.713 13.018 1.00 0.00 H new ATOM 258 N PHE A 19 -10.465 7.804 5.793 1.00 0.00 N ATOM 259 CA PHE A 19 -9.129 8.256 5.436 1.00 0.00 C ATOM 260 C PHE A 19 -8.326 7.079 4.901 1.00 0.00 C ATOM 261 O PHE A 19 -7.678 6.359 5.666 1.00 0.00 O ATOM 262 CB PHE A 19 -8.412 8.867 6.647 1.00 0.00 C ATOM 263 CG PHE A 19 -9.285 9.755 7.492 1.00 0.00 C ATOM 264 CD1 PHE A 19 -9.878 10.882 6.949 1.00 0.00 C ATOM 265 CD2 PHE A 19 -9.511 9.459 8.829 1.00 0.00 C ATOM 266 CE1 PHE A 19 -10.680 11.699 7.720 1.00 0.00 C ATOM 267 CE2 PHE A 19 -10.310 10.275 9.605 1.00 0.00 C ATOM 268 CZ PHE A 19 -10.895 11.396 9.049 1.00 0.00 C ATOM 0 H PHE A 19 -10.488 7.113 6.543 1.00 0.00 H new ATOM 0 HA PHE A 19 -9.215 9.026 4.669 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -8.021 8.062 7.269 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -7.556 9.444 6.296 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -9.711 11.125 5.910 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -9.058 8.582 9.267 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -11.139 12.574 7.284 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -10.477 10.037 10.645 1.00 0.00 H new ATOM 0 HZ PHE A 19 -11.521 12.035 9.654 1.00 0.00 H new ATOM 278 N LEU A 20 -8.454 6.823 3.609 1.00 0.00 N ATOM 279 CA LEU A 20 -7.810 5.671 3.000 1.00 0.00 C ATOM 280 C LEU A 20 -6.739 6.111 2.008 1.00 0.00 C ATOM 281 O LEU A 20 -6.608 7.302 1.703 1.00 0.00 O ATOM 282 CB LEU A 20 -8.861 4.773 2.327 1.00 0.00 C ATOM 283 CG LEU A 20 -8.903 4.817 0.798 1.00 0.00 C ATOM 284 CD1 LEU A 20 -8.995 3.409 0.226 1.00 0.00 C ATOM 285 CD2 LEU A 20 -10.070 5.663 0.316 1.00 0.00 C ATOM 0 H LEU A 20 -8.997 7.396 2.963 1.00 0.00 H new ATOM 0 HA LEU A 20 -7.316 5.092 3.780 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -8.681 3.743 2.636 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -9.844 5.052 2.706 1.00 0.00 H new ATOM 0 HG LEU A 20 -7.979 5.275 0.445 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -9.024 3.460 -0.862 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -8.125 2.831 0.539 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -9.902 2.927 0.591 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -10.081 5.681 -0.774 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -11.004 5.236 0.681 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -9.963 6.680 0.694 1.00 0.00 H new ATOM 297 N LEU A 21 -5.944 5.158 1.553 1.00 0.00 N ATOM 298 CA LEU A 21 -4.847 5.440 0.647 1.00 0.00 C ATOM 299 C LEU A 21 -4.869 4.491 -0.542 1.00 0.00 C ATOM 300 O LEU A 21 -5.403 3.389 -0.457 1.00 0.00 O ATOM 301 CB LEU A 21 -3.520 5.304 1.384 1.00 0.00 C ATOM 302 CG LEU A 21 -2.477 6.352 1.022 1.00 0.00 C ATOM 303 CD1 LEU A 21 -1.870 6.946 2.280 1.00 0.00 C ATOM 304 CD2 LEU A 21 -1.402 5.741 0.139 1.00 0.00 C ATOM 0 H LEU A 21 -6.041 4.173 1.800 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.959 6.460 0.280 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.709 5.356 2.456 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -3.107 4.316 1.180 1.00 0.00 H new ATOM 0 HG LEU A 21 -2.961 7.154 0.465 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.126 7.694 2.007 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.653 7.414 2.876 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.394 6.157 2.862 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.662 6.501 -0.113 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.916 4.923 0.671 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.856 5.360 -0.776 1.00 0.00 H new ATOM 316 N TYR A 22 -4.253 4.913 -1.631 1.00 0.00 N ATOM 317 CA TYR A 22 -4.111 4.082 -2.813 1.00 0.00 C ATOM 318 C TYR A 22 -2.641 4.008 -3.194 1.00 0.00 C ATOM 319 O TYR A 22 -1.987 5.040 -3.349 1.00 0.00 O ATOM 320 CB TYR A 22 -4.909 4.646 -3.995 1.00 0.00 C ATOM 321 CG TYR A 22 -6.233 5.281 -3.630 1.00 0.00 C ATOM 322 CD1 TYR A 22 -7.292 4.511 -3.181 1.00 0.00 C ATOM 323 CD2 TYR A 22 -6.436 6.647 -3.774 1.00 0.00 C ATOM 324 CE1 TYR A 22 -8.511 5.075 -2.881 1.00 0.00 C ATOM 325 CE2 TYR A 22 -7.655 7.219 -3.481 1.00 0.00 C ATOM 326 CZ TYR A 22 -8.689 6.429 -3.036 1.00 0.00 C ATOM 327 OH TYR A 22 -9.908 6.997 -2.753 1.00 0.00 O ATOM 0 H TYR A 22 -3.837 5.840 -1.721 1.00 0.00 H new ATOM 0 HA TYR A 22 -4.499 3.090 -2.582 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -4.296 5.388 -4.506 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -5.093 3.841 -4.706 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -7.159 3.446 -3.064 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -5.626 7.271 -4.121 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -9.323 4.457 -2.526 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -7.798 8.283 -3.600 1.00 0.00 H new ATOM 0 HH TYR A 22 -10.620 6.346 -2.925 1.00 0.00 H new ATOM 337 N ALA A 23 -2.115 2.801 -3.316 1.00 0.00 N ATOM 338 CA ALA A 23 -0.718 2.622 -3.673 1.00 0.00 C ATOM 339 C ALA A 23 -0.508 1.304 -4.404 1.00 0.00 C ATOM 340 O ALA A 23 -0.952 0.252 -3.938 1.00 0.00 O ATOM 341 CB ALA A 23 0.166 2.692 -2.433 1.00 0.00 C ATOM 0 H ALA A 23 -2.632 1.933 -3.174 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.435 3.432 -4.345 1.00 0.00 H new ATOM 0 HB1 ALA A 23 1.208 2.556 -2.721 1.00 0.00 H new ATOM 0 HB2 ALA A 23 0.046 3.664 -1.955 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -0.123 1.906 -1.735 1.00 0.00 H new ATOM 347 N MET A 24 0.139 1.381 -5.567 1.00 0.00 N ATOM 348 CA MET A 24 0.415 0.209 -6.403 1.00 0.00 C ATOM 349 C MET A 24 -0.881 -0.434 -6.885 1.00 0.00 C ATOM 350 O MET A 24 -1.009 -1.659 -6.905 1.00 0.00 O ATOM 351 CB MET A 24 1.266 -0.817 -5.643 1.00 0.00 C ATOM 352 CG MET A 24 2.749 -0.745 -5.966 1.00 0.00 C ATOM 353 SD MET A 24 3.085 -0.758 -7.739 1.00 0.00 S ATOM 354 CE MET A 24 3.516 -2.479 -7.988 1.00 0.00 C ATOM 0 H MET A 24 0.487 2.257 -5.957 1.00 0.00 H new ATOM 0 HA MET A 24 0.977 0.547 -7.274 1.00 0.00 H new ATOM 0 HB2 MET A 24 1.129 -0.666 -4.572 1.00 0.00 H new ATOM 0 HB3 MET A 24 0.902 -1.818 -5.873 1.00 0.00 H new ATOM 0 HG2 MET A 24 3.167 0.162 -5.529 1.00 0.00 H new ATOM 0 HG3 MET A 24 3.258 -1.588 -5.499 1.00 0.00 H new ATOM 0 HE1 MET A 24 3.751 -2.647 -9.039 1.00 0.00 H new ATOM 0 HE2 MET A 24 4.384 -2.729 -7.378 1.00 0.00 H new ATOM 0 HE3 MET A 24 2.676 -3.110 -7.699 1.00 0.00 H new ATOM 364 N ASP A 25 -1.867 0.407 -7.194 1.00 0.00 N ATOM 365 CA ASP A 25 -3.189 -0.049 -7.634 1.00 0.00 C ATOM 366 C ASP A 25 -3.864 -0.920 -6.581 1.00 0.00 C ATOM 367 O ASP A 25 -4.877 -1.565 -6.847 1.00 0.00 O ATOM 368 CB ASP A 25 -3.104 -0.794 -8.970 1.00 0.00 C ATOM 369 CG ASP A 25 -3.550 0.066 -10.134 1.00 0.00 C ATOM 370 OD1 ASP A 25 -2.889 1.089 -10.421 1.00 0.00 O ATOM 371 OD2 ASP A 25 -4.568 -0.274 -10.770 1.00 0.00 O ATOM 0 H ASP A 25 -1.775 1.422 -7.147 1.00 0.00 H new ATOM 0 HA ASP A 25 -3.802 0.841 -7.776 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -2.078 -1.123 -9.136 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -3.723 -1.690 -8.924 1.00 0.00 H new ATOM 376 N SER A 26 -3.362 -0.840 -5.362 1.00 0.00 N ATOM 377 CA SER A 26 -3.977 -1.503 -4.233 1.00 0.00 C ATOM 378 C SER A 26 -4.347 -0.452 -3.204 1.00 0.00 C ATOM 379 O SER A 26 -3.676 0.574 -3.094 1.00 0.00 O ATOM 380 CB SER A 26 -3.019 -2.535 -3.633 1.00 0.00 C ATOM 381 OG SER A 26 -2.065 -2.959 -4.594 1.00 0.00 O ATOM 0 H SER A 26 -2.519 -0.315 -5.130 1.00 0.00 H new ATOM 0 HA SER A 26 -4.873 -2.033 -4.555 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.507 -2.105 -2.772 1.00 0.00 H new ATOM 0 HB3 SER A 26 -3.584 -3.394 -3.272 1.00 0.00 H new ATOM 0 HG SER A 26 -1.462 -3.617 -4.188 1.00 0.00 H new ATOM 387 N TYR A 27 -5.462 -0.644 -2.531 1.00 0.00 N ATOM 388 CA TYR A 27 -5.927 0.341 -1.573 1.00 0.00 C ATOM 389 C TYR A 27 -5.470 -0.043 -0.171 1.00 0.00 C ATOM 390 O TYR A 27 -5.186 -1.208 0.096 1.00 0.00 O ATOM 391 CB TYR A 27 -7.449 0.488 -1.642 1.00 0.00 C ATOM 392 CG TYR A 27 -7.959 1.156 -2.912 1.00 0.00 C ATOM 393 CD1 TYR A 27 -7.132 1.368 -4.017 1.00 0.00 C ATOM 394 CD2 TYR A 27 -9.287 1.559 -3.008 1.00 0.00 C ATOM 395 CE1 TYR A 27 -7.618 1.960 -5.170 1.00 0.00 C ATOM 396 CE2 TYR A 27 -9.776 2.154 -4.154 1.00 0.00 C ATOM 397 CZ TYR A 27 -8.939 2.354 -5.233 1.00 0.00 C ATOM 398 OH TYR A 27 -9.426 2.952 -6.375 1.00 0.00 O ATOM 0 H TYR A 27 -6.060 -1.465 -2.627 1.00 0.00 H new ATOM 0 HA TYR A 27 -5.493 1.310 -1.822 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -7.902 -0.500 -1.559 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -7.785 1.066 -0.781 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -6.096 1.065 -3.971 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -9.949 1.403 -2.169 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -6.966 2.113 -6.017 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -10.810 2.462 -4.206 1.00 0.00 H new ATOM 0 HH TYR A 27 -10.375 3.166 -6.253 1.00 0.00 H new ATOM 408 N TRP A 28 -5.262 0.960 0.667 1.00 0.00 N ATOM 409 CA TRP A 28 -4.709 0.761 2.003 1.00 0.00 C ATOM 410 C TRP A 28 -5.505 1.563 3.025 1.00 0.00 C ATOM 411 O TRP A 28 -6.275 2.455 2.663 1.00 0.00 O ATOM 412 CB TRP A 28 -3.243 1.233 2.082 1.00 0.00 C ATOM 413 CG TRP A 28 -2.297 0.653 1.066 1.00 0.00 C ATOM 414 CD1 TRP A 28 -2.404 0.706 -0.294 1.00 0.00 C ATOM 415 CD2 TRP A 28 -1.060 -0.014 1.340 1.00 0.00 C ATOM 416 NE1 TRP A 28 -1.329 0.086 -0.880 1.00 0.00 N ATOM 417 CE2 TRP A 28 -0.486 -0.359 0.102 1.00 0.00 C ATOM 418 CE3 TRP A 28 -0.387 -0.363 2.514 1.00 0.00 C ATOM 419 CZ2 TRP A 28 0.730 -1.028 0.005 1.00 0.00 C ATOM 420 CZ3 TRP A 28 0.823 -1.026 2.417 1.00 0.00 C ATOM 421 CH2 TRP A 28 1.369 -1.353 1.171 1.00 0.00 C ATOM 0 H TRP A 28 -5.470 1.933 0.444 1.00 0.00 H new ATOM 0 HA TRP A 28 -4.763 -0.307 2.216 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -3.228 2.318 1.982 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -2.862 0.999 3.076 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -3.218 1.169 -0.832 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -1.182 -0.025 -1.883 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -0.804 -0.119 3.480 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 1.154 -1.282 -0.955 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 1.355 -1.296 3.317 1.00 0.00 H new ATOM 0 HH2 TRP A 28 2.315 -1.873 1.128 1.00 0.00 H new ATOM 432 N HIS A 29 -5.134 1.400 4.289 1.00 0.00 N ATOM 433 CA HIS A 29 -5.626 2.266 5.352 1.00 0.00 C ATOM 434 C HIS A 29 -4.773 3.531 5.396 1.00 0.00 C ATOM 435 O HIS A 29 -4.133 3.889 4.409 1.00 0.00 O ATOM 436 CB HIS A 29 -5.556 1.554 6.707 1.00 0.00 C ATOM 437 CG HIS A 29 -6.803 0.812 7.084 1.00 0.00 C ATOM 438 ND1 HIS A 29 -6.797 -0.544 7.239 1.00 0.00 N ATOM 439 CD2 HIS A 29 -8.051 1.278 7.340 1.00 0.00 C ATOM 440 CE1 HIS A 29 -8.021 -0.892 7.584 1.00 0.00 C ATOM 441 NE2 HIS A 29 -8.825 0.186 7.659 1.00 0.00 N ATOM 0 H HIS A 29 -4.491 0.673 4.603 1.00 0.00 H new ATOM 0 HA HIS A 29 -6.666 2.520 5.150 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -4.722 0.853 6.692 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -5.339 2.291 7.480 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -8.375 2.308 7.301 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -8.337 -1.906 7.780 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -9.815 0.192 7.905 1.00 0.00 H new ATOM 449 N SER A 30 -4.668 4.138 6.564 1.00 0.00 N ATOM 450 CA SER A 30 -3.799 5.290 6.740 1.00 0.00 C ATOM 451 C SER A 30 -2.512 4.880 7.456 1.00 0.00 C ATOM 452 O SER A 30 -1.410 5.104 6.958 1.00 0.00 O ATOM 453 CB SER A 30 -4.532 6.377 7.528 1.00 0.00 C ATOM 454 OG SER A 30 -5.895 6.025 7.736 1.00 0.00 O ATOM 0 H SER A 30 -5.172 3.854 7.404 1.00 0.00 H new ATOM 0 HA SER A 30 -3.532 5.687 5.761 1.00 0.00 H new ATOM 0 HB2 SER A 30 -4.041 6.528 8.489 1.00 0.00 H new ATOM 0 HB3 SER A 30 -4.475 7.323 6.989 1.00 0.00 H new ATOM 0 HG SER A 30 -6.412 6.228 6.929 1.00 0.00 H new ATOM 460 N ARG A 31 -2.667 4.247 8.612 1.00 0.00 N ATOM 461 CA ARG A 31 -1.530 3.822 9.427 1.00 0.00 C ATOM 462 C ARG A 31 -0.903 2.530 8.890 1.00 0.00 C ATOM 463 O ARG A 31 0.209 2.161 9.267 1.00 0.00 O ATOM 464 CB ARG A 31 -1.996 3.641 10.881 1.00 0.00 C ATOM 465 CG ARG A 31 -0.948 3.068 11.824 1.00 0.00 C ATOM 466 CD ARG A 31 -1.473 1.828 12.533 1.00 0.00 C ATOM 467 NE ARG A 31 -1.855 0.783 11.587 1.00 0.00 N ATOM 468 CZ ARG A 31 -1.091 -0.263 11.289 1.00 0.00 C ATOM 469 NH1 ARG A 31 0.056 -0.447 11.924 1.00 0.00 N ATOM 470 NH2 ARG A 31 -1.476 -1.128 10.361 1.00 0.00 N ATOM 0 H ARG A 31 -3.576 4.014 9.011 1.00 0.00 H new ATOM 0 HA ARG A 31 -0.759 4.591 9.383 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -2.320 4.608 11.266 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -2.867 2.986 10.889 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -0.047 2.817 11.264 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -0.666 3.820 12.560 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -0.708 1.445 13.209 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -2.334 2.096 13.145 1.00 0.00 H new ATOM 0 HE ARG A 31 -2.762 0.860 11.128 1.00 0.00 H new ATOM 0 HH11 ARG A 31 0.353 0.214 12.642 1.00 0.00 H new ATOM 0 HH12 ARG A 31 0.642 -1.250 11.695 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -2.361 -0.992 9.873 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -0.887 -1.929 10.135 1.00 0.00 H new ATOM 484 N CYS A 32 -1.610 1.854 7.991 1.00 0.00 N ATOM 485 CA CYS A 32 -1.129 0.594 7.440 1.00 0.00 C ATOM 486 C CYS A 32 -0.069 0.822 6.367 1.00 0.00 C ATOM 487 O CYS A 32 0.740 -0.067 6.084 1.00 0.00 O ATOM 488 CB CYS A 32 -2.295 -0.203 6.866 1.00 0.00 C ATOM 489 SG CYS A 32 -3.421 -0.881 8.125 1.00 0.00 S ATOM 0 H CYS A 32 -2.515 2.157 7.630 1.00 0.00 H new ATOM 0 HA CYS A 32 -0.668 0.027 8.249 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -2.864 0.439 6.193 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -1.901 -1.024 6.267 1.00 0.00 H new ATOM 494 N LEU A 33 0.014 2.046 5.863 1.00 0.00 N ATOM 495 CA LEU A 33 1.074 2.396 4.933 1.00 0.00 C ATOM 496 C LEU A 33 2.324 2.799 5.706 1.00 0.00 C ATOM 497 O LEU A 33 2.781 3.941 5.649 1.00 0.00 O ATOM 498 CB LEU A 33 0.641 3.513 3.988 1.00 0.00 C ATOM 499 CG LEU A 33 1.594 3.755 2.817 1.00 0.00 C ATOM 500 CD1 LEU A 33 1.454 2.662 1.771 1.00 0.00 C ATOM 501 CD2 LEU A 33 1.337 5.109 2.195 1.00 0.00 C ATOM 0 H LEU A 33 -0.633 2.804 6.080 1.00 0.00 H new ATOM 0 HA LEU A 33 1.297 1.522 4.322 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.347 3.276 3.593 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.543 4.437 4.558 1.00 0.00 H new ATOM 0 HG LEU A 33 2.614 3.734 3.202 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.142 2.856 0.948 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.688 1.697 2.220 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.431 2.648 1.394 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.024 5.264 1.363 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.311 5.153 1.830 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.490 5.888 2.942 1.00 0.00 H new ATOM 513 N LYS A 34 2.843 1.851 6.459 1.00 0.00 N ATOM 514 CA LYS A 34 4.025 2.068 7.263 1.00 0.00 C ATOM 515 C LYS A 34 5.156 1.197 6.745 1.00 0.00 C ATOM 516 O LYS A 34 4.906 0.185 6.085 1.00 0.00 O ATOM 517 CB LYS A 34 3.722 1.761 8.739 1.00 0.00 C ATOM 518 CG LYS A 34 4.000 0.320 9.159 1.00 0.00 C ATOM 519 CD LYS A 34 2.830 -0.603 8.852 1.00 0.00 C ATOM 520 CE LYS A 34 3.302 -1.881 8.177 1.00 0.00 C ATOM 521 NZ LYS A 34 2.441 -3.046 8.507 1.00 0.00 N ATOM 0 H LYS A 34 2.457 0.910 6.530 1.00 0.00 H new ATOM 0 HA LYS A 34 4.330 3.112 7.192 1.00 0.00 H new ATOM 0 HB2 LYS A 34 4.315 2.429 9.364 1.00 0.00 H new ATOM 0 HB3 LYS A 34 2.674 1.987 8.936 1.00 0.00 H new ATOM 0 HG2 LYS A 34 4.891 -0.041 8.645 1.00 0.00 H new ATOM 0 HG3 LYS A 34 4.214 0.289 10.227 1.00 0.00 H new ATOM 0 HD2 LYS A 34 2.305 -0.848 9.775 1.00 0.00 H new ATOM 0 HD3 LYS A 34 2.117 -0.089 8.207 1.00 0.00 H new ATOM 0 HE2 LYS A 34 3.314 -1.735 7.097 1.00 0.00 H new ATOM 0 HE3 LYS A 34 4.327 -2.092 8.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 2.803 -3.893 8.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 2.449 -3.204 9.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 1.467 -2.858 8.194 1.00 0.00 H new ATOM 535 N CYS A 35 6.385 1.613 7.003 1.00 0.00 N ATOM 536 CA CYS A 35 7.544 0.867 6.557 1.00 0.00 C ATOM 537 C CYS A 35 7.515 -0.543 7.136 1.00 0.00 C ATOM 538 O CYS A 35 7.226 -0.729 8.320 1.00 0.00 O ATOM 539 CB CYS A 35 8.830 1.580 6.983 1.00 0.00 C ATOM 540 SG CYS A 35 10.362 0.775 6.400 1.00 0.00 S ATOM 0 H CYS A 35 6.603 2.465 7.520 1.00 0.00 H new ATOM 0 HA CYS A 35 7.520 0.804 5.469 1.00 0.00 H new ATOM 0 HB2 CYS A 35 8.806 2.603 6.608 1.00 0.00 H new ATOM 0 HB3 CYS A 35 8.856 1.639 8.071 1.00 0.00 H new ATOM 545 N SER A 36 7.894 -1.516 6.326 1.00 0.00 N ATOM 546 CA SER A 36 7.978 -2.894 6.785 1.00 0.00 C ATOM 547 C SER A 36 9.180 -3.076 7.710 1.00 0.00 C ATOM 548 O SER A 36 9.378 -4.142 8.290 1.00 0.00 O ATOM 549 CB SER A 36 8.079 -3.839 5.589 1.00 0.00 C ATOM 550 OG SER A 36 7.106 -3.516 4.604 1.00 0.00 O ATOM 0 H SER A 36 8.149 -1.379 5.348 1.00 0.00 H new ATOM 0 HA SER A 36 7.074 -3.132 7.345 1.00 0.00 H new ATOM 0 HB2 SER A 36 9.077 -3.777 5.155 1.00 0.00 H new ATOM 0 HB3 SER A 36 7.939 -4.868 5.920 1.00 0.00 H new ATOM 0 HG SER A 36 7.423 -2.761 4.066 1.00 0.00 H new ATOM 556 N SER A 37 9.979 -2.028 7.836 1.00 0.00 N ATOM 557 CA SER A 37 11.168 -2.077 8.665 1.00 0.00 C ATOM 558 C SER A 37 11.095 -1.058 9.804 1.00 0.00 C ATOM 559 O SER A 37 11.507 -1.345 10.925 1.00 0.00 O ATOM 560 CB SER A 37 12.400 -1.829 7.802 1.00 0.00 C ATOM 561 OG SER A 37 12.044 -1.743 6.426 1.00 0.00 O ATOM 0 H SER A 37 9.823 -1.133 7.373 1.00 0.00 H new ATOM 0 HA SER A 37 11.236 -3.067 9.116 1.00 0.00 H new ATOM 0 HB2 SER A 37 12.889 -0.906 8.114 1.00 0.00 H new ATOM 0 HB3 SER A 37 13.119 -2.635 7.947 1.00 0.00 H new ATOM 0 HG SER A 37 11.817 -0.816 6.204 1.00 0.00 H new ATOM 567 N CYS A 38 10.609 0.142 9.505 1.00 0.00 N ATOM 568 CA CYS A 38 10.539 1.200 10.508 1.00 0.00 C ATOM 569 C CYS A 38 9.200 1.206 11.232 1.00 0.00 C ATOM 570 O CYS A 38 9.099 1.702 12.355 1.00 0.00 O ATOM 571 CB CYS A 38 10.758 2.562 9.854 1.00 0.00 C ATOM 572 SG CYS A 38 12.387 2.765 9.070 1.00 0.00 S ATOM 0 H CYS A 38 10.260 0.406 8.584 1.00 0.00 H new ATOM 0 HA CYS A 38 11.324 1.005 11.238 1.00 0.00 H new ATOM 0 HB2 CYS A 38 9.984 2.719 9.102 1.00 0.00 H new ATOM 0 HB3 CYS A 38 10.632 3.338 10.609 1.00 0.00 H new ATOM 577 N GLN A 39 8.157 0.793 10.517 1.00 0.00 N ATOM 578 CA GLN A 39 6.782 0.865 11.013 1.00 0.00 C ATOM 579 C GLN A 39 6.369 2.316 11.232 1.00 0.00 C ATOM 580 O GLN A 39 5.408 2.609 11.947 1.00 0.00 O ATOM 581 CB GLN A 39 6.608 0.061 12.300 1.00 0.00 C ATOM 582 CG GLN A 39 6.359 -1.416 12.061 1.00 0.00 C ATOM 583 CD GLN A 39 7.579 -2.266 12.352 1.00 0.00 C ATOM 584 OE1 GLN A 39 8.006 -2.389 13.501 1.00 0.00 O ATOM 585 NE2 GLN A 39 8.142 -2.866 11.318 1.00 0.00 N ATOM 0 H GLN A 39 8.239 0.400 9.579 1.00 0.00 H new ATOM 0 HA GLN A 39 6.133 0.425 10.256 1.00 0.00 H new ATOM 0 HB2 GLN A 39 7.501 0.176 12.915 1.00 0.00 H new ATOM 0 HB3 GLN A 39 5.775 0.475 12.868 1.00 0.00 H new ATOM 0 HG2 GLN A 39 5.532 -1.748 12.688 1.00 0.00 H new ATOM 0 HG3 GLN A 39 6.054 -1.567 11.025 1.00 0.00 H new ATOM 0 HE21 GLN A 39 7.757 -2.738 10.382 1.00 0.00 H new ATOM 0 HE22 GLN A 39 8.962 -3.457 11.456 1.00 0.00 H new ATOM 594 N ALA A 40 7.041 3.208 10.521 1.00 0.00 N ATOM 595 CA ALA A 40 6.713 4.608 10.535 1.00 0.00 C ATOM 596 C ALA A 40 5.780 4.906 9.386 1.00 0.00 C ATOM 597 O ALA A 40 5.945 4.372 8.288 1.00 0.00 O ATOM 598 CB ALA A 40 7.972 5.456 10.439 1.00 0.00 C ATOM 0 H ALA A 40 7.830 2.971 9.919 1.00 0.00 H new ATOM 0 HA ALA A 40 6.219 4.855 11.475 1.00 0.00 H new ATOM 0 HB1 ALA A 40 7.701 6.512 10.451 1.00 0.00 H new ATOM 0 HB2 ALA A 40 8.623 5.238 11.286 1.00 0.00 H new ATOM 0 HB3 ALA A 40 8.495 5.226 9.511 1.00 0.00 H new ATOM 604 N GLN A 41 4.757 5.669 9.680 1.00 0.00 N ATOM 605 CA GLN A 41 3.736 6.014 8.702 1.00 0.00 C ATOM 606 C GLN A 41 4.366 6.790 7.548 1.00 0.00 C ATOM 607 O GLN A 41 4.965 7.848 7.751 1.00 0.00 O ATOM 608 CB GLN A 41 2.632 6.838 9.370 1.00 0.00 C ATOM 609 CG GLN A 41 1.227 6.456 8.929 1.00 0.00 C ATOM 610 CD GLN A 41 0.624 7.465 7.976 1.00 0.00 C ATOM 611 OE1 GLN A 41 1.222 7.800 6.960 1.00 0.00 O ATOM 612 NE2 GLN A 41 -0.564 7.952 8.294 1.00 0.00 N ATOM 0 H GLN A 41 4.602 6.073 10.604 1.00 0.00 H new ATOM 0 HA GLN A 41 3.293 5.101 8.304 1.00 0.00 H new ATOM 0 HB2 GLN A 41 2.708 6.721 10.451 1.00 0.00 H new ATOM 0 HB3 GLN A 41 2.797 7.893 9.152 1.00 0.00 H new ATOM 0 HG2 GLN A 41 1.254 5.478 8.448 1.00 0.00 H new ATOM 0 HG3 GLN A 41 0.587 6.362 9.806 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -1.028 7.647 9.149 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -1.016 8.633 7.684 1.00 0.00 H new ATOM 621 N LEU A 42 4.342 6.187 6.366 1.00 0.00 N ATOM 622 CA LEU A 42 5.038 6.731 5.200 1.00 0.00 C ATOM 623 C LEU A 42 4.439 8.063 4.747 1.00 0.00 C ATOM 624 O LEU A 42 5.091 8.839 4.047 1.00 0.00 O ATOM 625 CB LEU A 42 5.004 5.716 4.052 1.00 0.00 C ATOM 626 CG LEU A 42 6.327 4.994 3.769 1.00 0.00 C ATOM 627 CD1 LEU A 42 7.008 4.574 5.063 1.00 0.00 C ATOM 628 CD2 LEU A 42 6.087 3.781 2.881 1.00 0.00 C ATOM 0 H LEU A 42 3.845 5.315 6.186 1.00 0.00 H new ATOM 0 HA LEU A 42 6.072 6.920 5.488 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.243 4.968 4.274 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.690 6.231 3.144 1.00 0.00 H new ATOM 0 HG LEU A 42 6.987 5.688 3.248 1.00 0.00 H new ATOM 0 HD11 LEU A 42 7.944 4.064 4.833 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.215 5.457 5.668 1.00 0.00 H new ATOM 0 HD13 LEU A 42 6.354 3.900 5.616 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.035 3.278 2.688 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.406 3.093 3.382 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.648 4.103 1.936 1.00 0.00 H new ATOM 640 N GLY A 43 3.217 8.338 5.184 1.00 0.00 N ATOM 641 CA GLY A 43 2.569 9.591 4.851 1.00 0.00 C ATOM 642 C GLY A 43 2.833 10.664 5.890 1.00 0.00 C ATOM 643 O GLY A 43 2.408 11.808 5.734 1.00 0.00 O ATOM 0 H GLY A 43 2.661 7.712 5.766 1.00 0.00 H new ATOM 0 HA2 GLY A 43 2.922 9.934 3.879 1.00 0.00 H new ATOM 0 HA3 GLY A 43 1.495 9.430 4.761 1.00 0.00 H new ATOM 647 N ASP A 44 3.541 10.301 6.950 1.00 0.00 N ATOM 648 CA ASP A 44 3.890 11.258 7.995 1.00 0.00 C ATOM 649 C ASP A 44 5.278 11.827 7.734 1.00 0.00 C ATOM 650 O ASP A 44 5.529 13.015 7.937 1.00 0.00 O ATOM 651 CB ASP A 44 3.842 10.600 9.379 1.00 0.00 C ATOM 652 CG ASP A 44 4.361 11.510 10.478 1.00 0.00 C ATOM 653 OD1 ASP A 44 3.882 12.658 10.589 1.00 0.00 O ATOM 654 OD2 ASP A 44 5.248 11.080 11.245 1.00 0.00 O ATOM 0 H ASP A 44 3.885 9.354 7.111 1.00 0.00 H new ATOM 0 HA ASP A 44 3.160 12.068 7.978 1.00 0.00 H new ATOM 0 HB2 ASP A 44 2.815 10.313 9.605 1.00 0.00 H new ATOM 0 HB3 ASP A 44 4.433 9.684 9.362 1.00 0.00 H new ATOM 659 N ILE A 45 6.147 10.988 7.188 1.00 0.00 N ATOM 660 CA ILE A 45 7.496 11.402 6.825 1.00 0.00 C ATOM 661 C ILE A 45 7.520 11.937 5.397 1.00 0.00 C ATOM 662 O ILE A 45 8.211 11.401 4.526 1.00 0.00 O ATOM 663 CB ILE A 45 8.501 10.237 6.957 1.00 0.00 C ATOM 664 CG1 ILE A 45 7.850 8.911 6.550 1.00 0.00 C ATOM 665 CG2 ILE A 45 9.026 10.159 8.381 1.00 0.00 C ATOM 666 CD1 ILE A 45 8.843 7.801 6.276 1.00 0.00 C ATOM 0 H ILE A 45 5.940 10.010 6.985 1.00 0.00 H new ATOM 0 HA ILE A 45 7.794 12.191 7.515 1.00 0.00 H new ATOM 0 HB ILE A 45 9.339 10.423 6.285 1.00 0.00 H new ATOM 0 HG12 ILE A 45 7.172 8.592 7.342 1.00 0.00 H new ATOM 0 HG13 ILE A 45 7.245 9.073 5.658 1.00 0.00 H new ATOM 0 HG21 ILE A 45 9.734 9.334 8.463 1.00 0.00 H new ATOM 0 HG22 ILE A 45 9.526 11.093 8.636 1.00 0.00 H new ATOM 0 HG23 ILE A 45 8.195 9.994 9.067 1.00 0.00 H new ATOM 0 HD11 ILE A 45 8.307 6.895 5.994 1.00 0.00 H new ATOM 0 HD12 ILE A 45 9.506 8.098 5.463 1.00 0.00 H new ATOM 0 HD13 ILE A 45 9.432 7.610 7.173 1.00 0.00 H new ATOM 677 N GLY A 46 6.675 12.924 5.143 1.00 0.00 N ATOM 678 CA GLY A 46 6.529 13.453 3.803 1.00 0.00 C ATOM 679 C GLY A 46 5.526 12.650 3.005 1.00 0.00 C ATOM 680 O GLY A 46 4.477 12.274 3.527 1.00 0.00 O ATOM 0 H GLY A 46 6.085 13.370 5.845 1.00 0.00 H new ATOM 0 HA2 GLY A 46 6.209 14.494 3.853 1.00 0.00 H new ATOM 0 HA3 GLY A 46 7.494 13.440 3.297 1.00 0.00 H new ATOM 684 N THR A 47 5.900 12.269 1.795 1.00 0.00 N ATOM 685 CA THR A 47 5.080 11.369 1.007 1.00 0.00 C ATOM 686 C THR A 47 5.951 10.551 0.065 1.00 0.00 C ATOM 687 O THR A 47 6.363 11.029 -0.992 1.00 0.00 O ATOM 688 CB THR A 47 4.027 12.142 0.183 1.00 0.00 C ATOM 689 OG1 THR A 47 4.241 13.558 0.302 1.00 0.00 O ATOM 690 CG2 THR A 47 2.621 11.796 0.645 1.00 0.00 C ATOM 0 H THR A 47 6.762 12.568 1.340 1.00 0.00 H new ATOM 0 HA THR A 47 4.562 10.706 1.700 1.00 0.00 H new ATOM 0 HB THR A 47 4.134 11.850 -0.862 1.00 0.00 H new ATOM 0 HG1 THR A 47 3.568 14.036 -0.226 1.00 0.00 H new ATOM 0 HG21 THR A 47 1.896 12.352 0.051 1.00 0.00 H new ATOM 0 HG22 THR A 47 2.450 10.727 0.520 1.00 0.00 H new ATOM 0 HG23 THR A 47 2.508 12.061 1.696 1.00 0.00 H new ATOM 698 N SER A 48 6.185 9.299 0.420 1.00 0.00 N ATOM 699 CA SER A 48 6.970 8.405 -0.413 1.00 0.00 C ATOM 700 C SER A 48 6.683 6.961 -0.038 1.00 0.00 C ATOM 701 O SER A 48 6.274 6.680 1.084 1.00 0.00 O ATOM 702 CB SER A 48 8.467 8.703 -0.266 1.00 0.00 C ATOM 703 OG SER A 48 8.718 9.551 0.846 1.00 0.00 O ATOM 0 H SER A 48 5.841 8.878 1.283 1.00 0.00 H new ATOM 0 HA SER A 48 6.690 8.565 -1.454 1.00 0.00 H new ATOM 0 HB2 SER A 48 9.016 7.769 -0.145 1.00 0.00 H new ATOM 0 HB3 SER A 48 8.837 9.174 -1.176 1.00 0.00 H new ATOM 0 HG SER A 48 9.680 9.723 0.916 1.00 0.00 H new ATOM 709 N SER A 49 6.869 6.055 -0.983 1.00 0.00 N ATOM 710 CA SER A 49 6.628 4.642 -0.738 1.00 0.00 C ATOM 711 C SER A 49 7.334 3.803 -1.791 1.00 0.00 C ATOM 712 O SER A 49 7.336 4.152 -2.971 1.00 0.00 O ATOM 713 CB SER A 49 5.126 4.355 -0.750 1.00 0.00 C ATOM 714 OG SER A 49 4.437 5.314 -1.535 1.00 0.00 O ATOM 0 H SER A 49 7.186 6.272 -1.928 1.00 0.00 H new ATOM 0 HA SER A 49 7.025 4.380 0.243 1.00 0.00 H new ATOM 0 HB2 SER A 49 4.945 3.356 -1.147 1.00 0.00 H new ATOM 0 HB3 SER A 49 4.740 4.368 0.269 1.00 0.00 H new ATOM 0 HG SER A 49 3.478 5.112 -1.531 1.00 0.00 H new ATOM 720 N TYR A 50 8.021 2.763 -1.352 1.00 0.00 N ATOM 721 CA TYR A 50 8.796 1.937 -2.262 1.00 0.00 C ATOM 722 C TYR A 50 8.301 0.502 -2.244 1.00 0.00 C ATOM 723 O TYR A 50 8.279 -0.136 -1.195 1.00 0.00 O ATOM 724 CB TYR A 50 10.273 1.988 -1.888 1.00 0.00 C ATOM 725 CG TYR A 50 11.003 3.137 -2.532 1.00 0.00 C ATOM 726 CD1 TYR A 50 11.198 3.169 -3.902 1.00 0.00 C ATOM 727 CD2 TYR A 50 11.488 4.193 -1.774 1.00 0.00 C ATOM 728 CE1 TYR A 50 11.860 4.216 -4.502 1.00 0.00 C ATOM 729 CE2 TYR A 50 12.153 5.247 -2.368 1.00 0.00 C ATOM 730 CZ TYR A 50 12.336 5.254 -3.733 1.00 0.00 C ATOM 731 OH TYR A 50 12.997 6.300 -4.333 1.00 0.00 O ATOM 0 H TYR A 50 8.058 2.471 -0.375 1.00 0.00 H new ATOM 0 HA TYR A 50 8.671 2.329 -3.271 1.00 0.00 H new ATOM 0 HB2 TYR A 50 10.365 2.067 -0.805 1.00 0.00 H new ATOM 0 HB3 TYR A 50 10.749 1.052 -2.181 1.00 0.00 H new ATOM 0 HD1 TYR A 50 10.824 2.359 -4.510 1.00 0.00 H new ATOM 0 HD2 TYR A 50 11.343 4.190 -0.704 1.00 0.00 H new ATOM 0 HE1 TYR A 50 12.006 4.223 -5.572 1.00 0.00 H new ATOM 0 HE2 TYR A 50 12.528 6.061 -1.766 1.00 0.00 H new ATOM 0 HH TYR A 50 12.796 6.307 -5.292 1.00 0.00 H new ATOM 741 N THR A 51 7.919 -0.006 -3.405 1.00 0.00 N ATOM 742 CA THR A 51 7.430 -1.375 -3.503 1.00 0.00 C ATOM 743 C THR A 51 8.565 -2.336 -3.832 1.00 0.00 C ATOM 744 O THR A 51 9.031 -2.400 -4.971 1.00 0.00 O ATOM 745 CB THR A 51 6.328 -1.502 -4.563 1.00 0.00 C ATOM 746 OG1 THR A 51 5.685 -0.232 -4.737 1.00 0.00 O ATOM 747 CG2 THR A 51 5.304 -2.553 -4.149 1.00 0.00 C ATOM 0 H THR A 51 7.937 0.504 -4.288 1.00 0.00 H new ATOM 0 HA THR A 51 7.010 -1.636 -2.532 1.00 0.00 H new ATOM 0 HB THR A 51 6.778 -1.815 -5.505 1.00 0.00 H new ATOM 0 HG1 THR A 51 5.362 -0.153 -5.659 1.00 0.00 H new ATOM 0 HG21 THR A 51 4.531 -2.628 -4.913 1.00 0.00 H new ATOM 0 HG22 THR A 51 5.798 -3.518 -4.036 1.00 0.00 H new ATOM 0 HG23 THR A 51 4.850 -2.265 -3.201 1.00 0.00 H new ATOM 755 N LYS A 52 9.018 -3.070 -2.828 1.00 0.00 N ATOM 756 CA LYS A 52 10.108 -4.012 -3.005 1.00 0.00 C ATOM 757 C LYS A 52 9.841 -5.288 -2.222 1.00 0.00 C ATOM 758 O LYS A 52 9.354 -5.234 -1.095 1.00 0.00 O ATOM 759 CB LYS A 52 11.429 -3.388 -2.552 1.00 0.00 C ATOM 760 CG LYS A 52 12.167 -2.647 -3.654 1.00 0.00 C ATOM 761 CD LYS A 52 12.380 -3.521 -4.880 1.00 0.00 C ATOM 762 CE LYS A 52 12.525 -2.685 -6.139 1.00 0.00 C ATOM 763 NZ LYS A 52 11.217 -2.450 -6.806 1.00 0.00 N ATOM 0 H LYS A 52 8.645 -3.030 -1.879 1.00 0.00 H new ATOM 0 HA LYS A 52 10.179 -4.259 -4.064 1.00 0.00 H new ATOM 0 HB2 LYS A 52 11.232 -2.698 -1.732 1.00 0.00 H new ATOM 0 HB3 LYS A 52 12.075 -4.173 -2.159 1.00 0.00 H new ATOM 0 HG2 LYS A 52 11.602 -1.758 -3.935 1.00 0.00 H new ATOM 0 HG3 LYS A 52 13.132 -2.306 -3.279 1.00 0.00 H new ATOM 0 HD2 LYS A 52 13.272 -4.132 -4.742 1.00 0.00 H new ATOM 0 HD3 LYS A 52 11.539 -4.206 -4.991 1.00 0.00 H new ATOM 0 HE2 LYS A 52 12.981 -1.727 -5.888 1.00 0.00 H new ATOM 0 HE3 LYS A 52 13.200 -3.187 -6.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 11.240 -1.537 -7.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 11.034 -3.212 -7.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 10.461 -2.437 -6.092 1.00 0.00 H new ATOM 777 N SER A 53 10.107 -6.428 -2.852 1.00 0.00 N ATOM 778 CA SER A 53 9.887 -7.737 -2.239 1.00 0.00 C ATOM 779 C SER A 53 8.407 -7.969 -1.943 1.00 0.00 C ATOM 780 O SER A 53 8.057 -8.764 -1.067 1.00 0.00 O ATOM 781 CB SER A 53 10.707 -7.867 -0.953 1.00 0.00 C ATOM 782 OG SER A 53 12.095 -7.696 -1.209 1.00 0.00 O ATOM 0 H SER A 53 10.480 -6.472 -3.800 1.00 0.00 H new ATOM 0 HA SER A 53 10.214 -8.497 -2.949 1.00 0.00 H new ATOM 0 HB2 SER A 53 10.374 -7.123 -0.229 1.00 0.00 H new ATOM 0 HB3 SER A 53 10.535 -8.846 -0.506 1.00 0.00 H new ATOM 0 HG SER A 53 12.595 -7.782 -0.371 1.00 0.00 H new ATOM 788 N GLY A 54 7.542 -7.250 -2.650 1.00 0.00 N ATOM 789 CA GLY A 54 6.115 -7.373 -2.425 1.00 0.00 C ATOM 790 C GLY A 54 5.663 -6.601 -1.203 1.00 0.00 C ATOM 791 O GLY A 54 4.494 -6.648 -0.826 1.00 0.00 O ATOM 0 H GLY A 54 7.805 -6.583 -3.376 1.00 0.00 H new ATOM 0 HA2 GLY A 54 5.578 -7.011 -3.301 1.00 0.00 H new ATOM 0 HA3 GLY A 54 5.857 -8.425 -2.305 1.00 0.00 H new ATOM 795 N MET A 55 6.590 -5.866 -0.604 1.00 0.00 N ATOM 796 CA MET A 55 6.290 -5.054 0.563 1.00 0.00 C ATOM 797 C MET A 55 6.620 -3.596 0.279 1.00 0.00 C ATOM 798 O MET A 55 7.072 -3.256 -0.815 1.00 0.00 O ATOM 799 CB MET A 55 7.075 -5.550 1.785 1.00 0.00 C ATOM 800 CG MET A 55 8.541 -5.135 1.796 1.00 0.00 C ATOM 801 SD MET A 55 9.552 -6.168 2.873 1.00 0.00 S ATOM 802 CE MET A 55 11.159 -5.973 2.110 1.00 0.00 C ATOM 0 H MET A 55 7.561 -5.817 -0.911 1.00 0.00 H new ATOM 0 HA MET A 55 5.226 -5.141 0.783 1.00 0.00 H new ATOM 0 HB2 MET A 55 6.595 -5.173 2.688 1.00 0.00 H new ATOM 0 HB3 MET A 55 7.017 -6.638 1.823 1.00 0.00 H new ATOM 0 HG2 MET A 55 8.935 -5.182 0.781 1.00 0.00 H new ATOM 0 HG3 MET A 55 8.618 -4.097 2.120 1.00 0.00 H new ATOM 0 HE1 MET A 55 11.513 -6.941 1.756 1.00 0.00 H new ATOM 0 HE2 MET A 55 11.081 -5.285 1.268 1.00 0.00 H new ATOM 0 HE3 MET A 55 11.863 -5.574 2.841 1.00 0.00 H new ATOM 812 N ILE A 56 6.412 -2.741 1.262 1.00 0.00 N ATOM 813 CA ILE A 56 6.699 -1.328 1.105 1.00 0.00 C ATOM 814 C ILE A 56 7.776 -0.876 2.092 1.00 0.00 C ATOM 815 O ILE A 56 7.793 -1.291 3.256 1.00 0.00 O ATOM 816 CB ILE A 56 5.410 -0.470 1.245 1.00 0.00 C ATOM 817 CG1 ILE A 56 5.421 0.668 0.226 1.00 0.00 C ATOM 818 CG2 ILE A 56 5.236 0.085 2.653 1.00 0.00 C ATOM 819 CD1 ILE A 56 4.429 0.478 -0.901 1.00 0.00 C ATOM 0 H ILE A 56 6.045 -3.000 2.178 1.00 0.00 H new ATOM 0 HA ILE A 56 7.085 -1.176 0.097 1.00 0.00 H new ATOM 0 HB ILE A 56 4.561 -1.125 1.049 1.00 0.00 H new ATOM 0 HG12 ILE A 56 5.203 1.605 0.738 1.00 0.00 H new ATOM 0 HG13 ILE A 56 6.423 0.760 -0.194 1.00 0.00 H new ATOM 0 HG21 ILE A 56 4.322 0.677 2.700 1.00 0.00 H new ATOM 0 HG22 ILE A 56 5.172 -0.739 3.364 1.00 0.00 H new ATOM 0 HG23 ILE A 56 6.090 0.715 2.904 1.00 0.00 H new ATOM 0 HD11 ILE A 56 4.491 1.323 -1.587 1.00 0.00 H new ATOM 0 HD12 ILE A 56 4.660 -0.442 -1.437 1.00 0.00 H new ATOM 0 HD13 ILE A 56 3.421 0.416 -0.492 1.00 0.00 H new ATOM 830 N LEU A 57 8.714 -0.087 1.593 1.00 0.00 N ATOM 831 CA LEU A 57 9.811 0.424 2.403 1.00 0.00 C ATOM 832 C LEU A 57 9.810 1.939 2.372 1.00 0.00 C ATOM 833 O LEU A 57 9.206 2.545 1.480 1.00 0.00 O ATOM 834 CB LEU A 57 11.166 -0.077 1.886 1.00 0.00 C ATOM 835 CG LEU A 57 11.309 -1.592 1.748 1.00 0.00 C ATOM 836 CD1 LEU A 57 12.672 -1.949 1.179 1.00 0.00 C ATOM 837 CD2 LEU A 57 11.094 -2.274 3.090 1.00 0.00 C ATOM 0 H LEU A 57 8.738 0.217 0.620 1.00 0.00 H new ATOM 0 HA LEU A 57 9.667 0.064 3.422 1.00 0.00 H new ATOM 0 HB2 LEU A 57 11.352 0.376 0.912 1.00 0.00 H new ATOM 0 HB3 LEU A 57 11.945 0.282 2.558 1.00 0.00 H new ATOM 0 HG LEU A 57 10.545 -1.948 1.057 1.00 0.00 H new ATOM 0 HD11 LEU A 57 12.756 -3.032 1.088 1.00 0.00 H new ATOM 0 HD12 LEU A 57 12.787 -1.492 0.196 1.00 0.00 H new ATOM 0 HD13 LEU A 57 13.452 -1.579 1.844 1.00 0.00 H new ATOM 0 HD21 LEU A 57 11.200 -3.352 2.971 1.00 0.00 H new ATOM 0 HD22 LEU A 57 11.834 -1.913 3.804 1.00 0.00 H new ATOM 0 HD23 LEU A 57 10.094 -2.046 3.458 1.00 0.00 H new ATOM 849 N CYS A 58 10.599 2.536 3.247 1.00 0.00 N ATOM 850 CA CYS A 58 10.800 3.964 3.219 1.00 0.00 C ATOM 851 C CYS A 58 11.890 4.302 2.205 1.00 0.00 C ATOM 852 O CYS A 58 12.599 3.412 1.725 1.00 0.00 O ATOM 853 CB CYS A 58 11.178 4.471 4.614 1.00 0.00 C ATOM 854 SG CYS A 58 12.711 3.752 5.292 1.00 0.00 S ATOM 0 H CYS A 58 11.109 2.049 3.984 1.00 0.00 H new ATOM 0 HA CYS A 58 9.875 4.457 2.920 1.00 0.00 H new ATOM 0 HB2 CYS A 58 11.286 5.555 4.575 1.00 0.00 H new ATOM 0 HB3 CYS A 58 10.358 4.257 5.299 1.00 0.00 H new ATOM 859 N ARG A 59 12.057 5.581 1.920 1.00 0.00 N ATOM 860 CA ARG A 59 13.098 6.022 1.001 1.00 0.00 C ATOM 861 C ARG A 59 14.472 5.812 1.632 1.00 0.00 C ATOM 862 O ARG A 59 15.434 5.449 0.957 1.00 0.00 O ATOM 863 CB ARG A 59 12.890 7.497 0.629 1.00 0.00 C ATOM 864 CG ARG A 59 14.133 8.182 0.079 1.00 0.00 C ATOM 865 CD ARG A 59 14.379 7.819 -1.375 1.00 0.00 C ATOM 866 NE ARG A 59 13.534 8.590 -2.279 1.00 0.00 N ATOM 867 CZ ARG A 59 14.001 9.396 -3.223 1.00 0.00 C ATOM 868 NH1 ARG A 59 15.309 9.559 -3.376 1.00 0.00 N ATOM 869 NH2 ARG A 59 13.153 10.045 -4.004 1.00 0.00 N ATOM 0 H ARG A 59 11.488 6.333 2.309 1.00 0.00 H new ATOM 0 HA ARG A 59 13.041 5.429 0.088 1.00 0.00 H new ATOM 0 HB2 ARG A 59 12.093 7.565 -0.112 1.00 0.00 H new ATOM 0 HB3 ARG A 59 12.551 8.039 1.512 1.00 0.00 H new ATOM 0 HG2 ARG A 59 14.023 9.263 0.171 1.00 0.00 H new ATOM 0 HG3 ARG A 59 14.999 7.898 0.676 1.00 0.00 H new ATOM 0 HD2 ARG A 59 15.427 7.993 -1.620 1.00 0.00 H new ATOM 0 HD3 ARG A 59 14.190 6.755 -1.520 1.00 0.00 H new ATOM 0 HE ARG A 59 12.522 8.504 -2.179 1.00 0.00 H new ATOM 0 HH11 ARG A 59 15.959 9.063 -2.766 1.00 0.00 H new ATOM 0 HH12 ARG A 59 15.664 10.180 -4.103 1.00 0.00 H new ATOM 0 HH21 ARG A 59 12.148 9.924 -3.878 1.00 0.00 H new ATOM 0 HH22 ARG A 59 13.504 10.667 -4.732 1.00 0.00 H new ATOM 883 N ASN A 60 14.531 5.988 2.943 1.00 0.00 N ATOM 884 CA ASN A 60 15.764 5.801 3.691 1.00 0.00 C ATOM 885 C ASN A 60 16.203 4.340 3.665 1.00 0.00 C ATOM 886 O ASN A 60 17.390 4.037 3.544 1.00 0.00 O ATOM 887 CB ASN A 60 15.568 6.266 5.135 1.00 0.00 C ATOM 888 CG ASN A 60 16.771 7.006 5.686 1.00 0.00 C ATOM 889 OD1 ASN A 60 17.269 6.681 6.762 1.00 0.00 O ATOM 890 ND2 ASN A 60 17.240 8.011 4.963 1.00 0.00 N ATOM 0 H ASN A 60 13.732 6.262 3.515 1.00 0.00 H new ATOM 0 HA ASN A 60 16.546 6.398 3.222 1.00 0.00 H new ATOM 0 HB2 ASN A 60 14.694 6.915 5.187 1.00 0.00 H new ATOM 0 HB3 ASN A 60 15.360 5.401 5.765 1.00 0.00 H new ATOM 0 HD21 ASN A 60 18.043 8.546 5.294 1.00 0.00 H new ATOM 0 HD22 ASN A 60 16.799 8.250 4.075 1.00 0.00 H new ATOM 897 N ASP A 61 15.242 3.439 3.812 1.00 0.00 N ATOM 898 CA ASP A 61 15.531 2.010 3.868 1.00 0.00 C ATOM 899 C ASP A 61 15.797 1.440 2.487 1.00 0.00 C ATOM 900 O ASP A 61 16.569 0.492 2.341 1.00 0.00 O ATOM 901 CB ASP A 61 14.384 1.251 4.524 1.00 0.00 C ATOM 902 CG ASP A 61 14.625 1.040 5.998 1.00 0.00 C ATOM 903 OD1 ASP A 61 15.814 1.042 6.413 1.00 0.00 O ATOM 904 OD2 ASP A 61 13.654 0.817 6.746 1.00 0.00 O ATOM 0 H ASP A 61 14.252 3.672 3.895 1.00 0.00 H new ATOM 0 HA ASP A 61 16.432 1.887 4.470 1.00 0.00 H new ATOM 0 HB2 ASP A 61 13.455 1.803 4.383 1.00 0.00 H new ATOM 0 HB3 ASP A 61 14.259 0.285 4.034 1.00 0.00 H new ATOM 909 N TYR A 62 15.129 1.992 1.483 1.00 0.00 N ATOM 910 CA TYR A 62 15.294 1.539 0.109 1.00 0.00 C ATOM 911 C TYR A 62 16.765 1.530 -0.301 1.00 0.00 C ATOM 912 O TYR A 62 17.230 0.592 -0.946 1.00 0.00 O ATOM 913 CB TYR A 62 14.501 2.436 -0.839 1.00 0.00 C ATOM 914 CG TYR A 62 14.448 1.915 -2.257 1.00 0.00 C ATOM 915 CD1 TYR A 62 13.669 0.811 -2.576 1.00 0.00 C ATOM 916 CD2 TYR A 62 15.178 2.519 -3.272 1.00 0.00 C ATOM 917 CE1 TYR A 62 13.619 0.327 -3.865 1.00 0.00 C ATOM 918 CE2 TYR A 62 15.133 2.037 -4.565 1.00 0.00 C ATOM 919 CZ TYR A 62 14.351 0.941 -4.855 1.00 0.00 C ATOM 920 OH TYR A 62 14.304 0.455 -6.140 1.00 0.00 O ATOM 0 H TYR A 62 14.465 2.758 1.596 1.00 0.00 H new ATOM 0 HA TYR A 62 14.916 0.519 0.047 1.00 0.00 H new ATOM 0 HB2 TYR A 62 13.484 2.542 -0.461 1.00 0.00 H new ATOM 0 HB3 TYR A 62 14.946 3.431 -0.842 1.00 0.00 H new ATOM 0 HD1 TYR A 62 13.094 0.324 -1.802 1.00 0.00 H new ATOM 0 HD2 TYR A 62 15.791 3.379 -3.047 1.00 0.00 H new ATOM 0 HE1 TYR A 62 13.007 -0.532 -4.098 1.00 0.00 H new ATOM 0 HE2 TYR A 62 15.707 2.516 -5.344 1.00 0.00 H new ATOM 0 HH TYR A 62 14.876 1.002 -6.718 1.00 0.00 H new ATOM 930 N ILE A 63 17.493 2.573 0.082 1.00 0.00 N ATOM 931 CA ILE A 63 18.910 2.692 -0.270 1.00 0.00 C ATOM 932 C ILE A 63 19.767 1.700 0.516 1.00 0.00 C ATOM 933 O ILE A 63 20.904 1.410 0.144 1.00 0.00 O ATOM 934 CB ILE A 63 19.445 4.123 -0.033 1.00 0.00 C ATOM 935 CG1 ILE A 63 18.339 5.159 -0.262 1.00 0.00 C ATOM 936 CG2 ILE A 63 20.640 4.404 -0.937 1.00 0.00 C ATOM 937 CD1 ILE A 63 17.940 5.333 -1.712 1.00 0.00 C ATOM 0 H ILE A 63 17.130 3.349 0.635 1.00 0.00 H new ATOM 0 HA ILE A 63 18.981 2.463 -1.333 1.00 0.00 H new ATOM 0 HB ILE A 63 19.773 4.199 1.004 1.00 0.00 H new ATOM 0 HG12 ILE A 63 17.460 4.868 0.312 1.00 0.00 H new ATOM 0 HG13 ILE A 63 18.671 6.121 0.129 1.00 0.00 H new ATOM 0 HG21 ILE A 63 21.003 5.416 -0.756 1.00 0.00 H new ATOM 0 HG22 ILE A 63 21.435 3.690 -0.722 1.00 0.00 H new ATOM 0 HG23 ILE A 63 20.338 4.308 -1.980 1.00 0.00 H new ATOM 0 HD11 ILE A 63 17.153 6.083 -1.785 1.00 0.00 H new ATOM 0 HD12 ILE A 63 18.805 5.657 -2.291 1.00 0.00 H new ATOM 0 HD13 ILE A 63 17.575 4.384 -2.105 1.00 0.00 H new ATOM 948 N ARG A 64 19.189 1.120 1.555 1.00 0.00 N ATOM 949 CA ARG A 64 19.871 0.092 2.328 1.00 0.00 C ATOM 950 C ARG A 64 19.621 -1.277 1.707 1.00 0.00 C ATOM 951 O ARG A 64 20.551 -2.034 1.433 1.00 0.00 O ATOM 952 CB ARG A 64 19.378 0.090 3.777 1.00 0.00 C ATOM 953 CG ARG A 64 20.129 1.044 4.688 1.00 0.00 C ATOM 954 CD ARG A 64 19.337 1.338 5.953 1.00 0.00 C ATOM 955 NE ARG A 64 19.632 2.668 6.478 1.00 0.00 N ATOM 956 CZ ARG A 64 18.705 3.560 6.825 1.00 0.00 C ATOM 957 NH1 ARG A 64 17.413 3.240 6.786 1.00 0.00 N ATOM 958 NH2 ARG A 64 19.075 4.766 7.231 1.00 0.00 N ATOM 0 H ARG A 64 18.249 1.343 1.884 1.00 0.00 H new ATOM 0 HA ARG A 64 20.939 0.309 2.319 1.00 0.00 H new ATOM 0 HB2 ARG A 64 18.320 0.350 3.790 1.00 0.00 H new ATOM 0 HB3 ARG A 64 19.463 -0.920 4.177 1.00 0.00 H new ATOM 0 HG2 ARG A 64 21.095 0.613 4.953 1.00 0.00 H new ATOM 0 HG3 ARG A 64 20.330 1.975 4.157 1.00 0.00 H new ATOM 0 HD2 ARG A 64 18.271 1.259 5.741 1.00 0.00 H new ATOM 0 HD3 ARG A 64 19.569 0.588 6.710 1.00 0.00 H new ATOM 0 HE ARG A 64 20.611 2.931 6.586 1.00 0.00 H new ATOM 0 HH11 ARG A 64 17.127 2.307 6.489 1.00 0.00 H new ATOM 0 HH12 ARG A 64 16.709 3.928 7.053 1.00 0.00 H new ATOM 0 HH21 ARG A 64 20.065 5.007 7.277 1.00 0.00 H new ATOM 0 HH22 ARG A 64 18.370 5.453 7.498 1.00 0.00 H new ATOM 972 N LEU A 65 18.346 -1.596 1.524 1.00 0.00 N ATOM 973 CA LEU A 65 17.939 -2.900 1.019 1.00 0.00 C ATOM 974 C LEU A 65 18.265 -3.064 -0.465 1.00 0.00 C ATOM 975 O LEU A 65 18.780 -4.100 -0.882 1.00 0.00 O ATOM 976 CB LEU A 65 16.438 -3.103 1.244 1.00 0.00 C ATOM 977 CG LEU A 65 16.059 -4.266 2.164 1.00 0.00 C ATOM 978 CD1 LEU A 65 16.770 -5.543 1.737 1.00 0.00 C ATOM 979 CD2 LEU A 65 16.392 -3.929 3.607 1.00 0.00 C ATOM 0 H LEU A 65 17.570 -0.963 1.720 1.00 0.00 H new ATOM 0 HA LEU A 65 18.501 -3.655 1.569 1.00 0.00 H new ATOM 0 HB2 LEU A 65 16.024 -2.184 1.659 1.00 0.00 H new ATOM 0 HB3 LEU A 65 15.961 -3.259 0.276 1.00 0.00 H new ATOM 0 HG LEU A 65 14.984 -4.431 2.085 1.00 0.00 H new ATOM 0 HD11 LEU A 65 16.487 -6.357 2.404 1.00 0.00 H new ATOM 0 HD12 LEU A 65 16.484 -5.794 0.716 1.00 0.00 H new ATOM 0 HD13 LEU A 65 17.848 -5.393 1.786 1.00 0.00 H new ATOM 0 HD21 LEU A 65 16.117 -4.766 4.249 1.00 0.00 H new ATOM 0 HD22 LEU A 65 17.461 -3.738 3.699 1.00 0.00 H new ATOM 0 HD23 LEU A 65 15.837 -3.041 3.911 1.00 0.00 H new ATOM 991 N PHE A 66 17.898 -2.077 -1.269 1.00 0.00 N ATOM 992 CA PHE A 66 18.067 -2.172 -2.713 1.00 0.00 C ATOM 993 C PHE A 66 18.830 -0.971 -3.254 1.00 0.00 C ATOM 994 O PHE A 66 18.608 -0.537 -4.387 1.00 0.00 O ATOM 995 CB PHE A 66 16.701 -2.281 -3.401 1.00 0.00 C ATOM 996 CG PHE A 66 15.959 -3.543 -3.062 1.00 0.00 C ATOM 997 CD1 PHE A 66 15.160 -3.610 -1.931 1.00 0.00 C ATOM 998 CD2 PHE A 66 16.067 -4.664 -3.868 1.00 0.00 C ATOM 999 CE1 PHE A 66 14.485 -4.771 -1.611 1.00 0.00 C ATOM 1000 CE2 PHE A 66 15.394 -5.828 -3.553 1.00 0.00 C ATOM 1001 CZ PHE A 66 14.603 -5.880 -2.422 1.00 0.00 C ATOM 0 H PHE A 66 17.482 -1.203 -0.948 1.00 0.00 H new ATOM 0 HA PHE A 66 18.647 -3.070 -2.927 1.00 0.00 H new ATOM 0 HB2 PHE A 66 16.091 -1.423 -3.118 1.00 0.00 H new ATOM 0 HB3 PHE A 66 16.842 -2.230 -4.481 1.00 0.00 H new ATOM 0 HD1 PHE A 66 15.065 -2.744 -1.293 1.00 0.00 H new ATOM 0 HD2 PHE A 66 16.685 -4.627 -4.753 1.00 0.00 H new ATOM 0 HE1 PHE A 66 13.866 -4.811 -0.727 1.00 0.00 H new ATOM 0 HE2 PHE A 66 15.486 -6.696 -4.190 1.00 0.00 H new ATOM 0 HZ PHE A 66 14.077 -6.790 -2.173 1.00 0.00 H new ATOM 1011 N GLY A 67 19.743 -0.451 -2.444 1.00 0.00 N ATOM 1012 CA GLY A 67 20.542 0.687 -2.856 1.00 0.00 C ATOM 1013 C GLY A 67 21.681 0.283 -3.770 1.00 0.00 C ATOM 1014 O GLY A 67 22.253 1.116 -4.470 1.00 0.00 O ATOM 0 H GLY A 67 19.945 -0.798 -1.506 1.00 0.00 H new ATOM 0 HA2 GLY A 67 19.906 1.410 -3.368 1.00 0.00 H new ATOM 0 HA3 GLY A 67 20.945 1.185 -1.974 1.00 0.00 H new ATOM 1018 N ASN A 68 22.025 -1.000 -3.738 1.00 0.00 N ATOM 1019 CA ASN A 68 23.108 -1.527 -4.560 1.00 0.00 C ATOM 1020 C ASN A 68 22.705 -1.542 -6.029 1.00 0.00 C ATOM 1021 O ASN A 68 21.772 -2.246 -6.414 1.00 0.00 O ATOM 1022 CB ASN A 68 23.481 -2.942 -4.110 1.00 0.00 C ATOM 1023 CG ASN A 68 24.753 -3.442 -4.767 1.00 0.00 C ATOM 1024 OD1 ASN A 68 25.821 -2.845 -4.618 1.00 0.00 O ATOM 1025 ND2 ASN A 68 24.652 -4.543 -5.494 1.00 0.00 N ATOM 0 H ASN A 68 21.568 -1.696 -3.149 1.00 0.00 H new ATOM 0 HA ASN A 68 23.975 -0.877 -4.439 1.00 0.00 H new ATOM 0 HB2 ASN A 68 23.606 -2.955 -3.027 1.00 0.00 H new ATOM 0 HB3 ASN A 68 22.662 -3.622 -4.345 1.00 0.00 H new ATOM 0 HD21 ASN A 68 25.477 -4.927 -5.956 1.00 0.00 H new ATOM 0 HD22 ASN A 68 23.749 -5.008 -5.593 1.00 0.00 H new ATOM 1032 N SER A 69 23.359 -0.694 -6.815 1.00 0.00 N ATOM 1033 CA SER A 69 23.041 -0.519 -8.228 1.00 0.00 C ATOM 1034 C SER A 69 21.625 0.039 -8.408 1.00 0.00 C ATOM 1035 O SER A 69 21.410 1.243 -8.275 1.00 0.00 O ATOM 1036 CB SER A 69 23.213 -1.834 -8.996 1.00 0.00 C ATOM 1037 OG SER A 69 24.542 -2.320 -8.886 1.00 0.00 O ATOM 0 H SER A 69 24.127 -0.107 -6.490 1.00 0.00 H new ATOM 0 HA SER A 69 23.742 0.206 -8.641 1.00 0.00 H new ATOM 0 HB2 SER A 69 22.517 -2.578 -8.609 1.00 0.00 H new ATOM 0 HB3 SER A 69 22.964 -1.681 -10.046 1.00 0.00 H new ATOM 0 HG SER A 69 24.625 -3.160 -9.383 1.00 0.00 H new ATOM 1043 N GLY A 70 20.666 -0.832 -8.706 1.00 0.00 N ATOM 1044 CA GLY A 70 19.296 -0.395 -8.914 1.00 0.00 C ATOM 1045 C GLY A 70 19.101 0.231 -10.281 1.00 0.00 C ATOM 1046 O GLY A 70 18.391 -0.313 -11.131 1.00 0.00 O ATOM 0 H GLY A 70 20.813 -1.836 -8.808 1.00 0.00 H new ATOM 0 HA2 GLY A 70 18.624 -1.246 -8.806 1.00 0.00 H new ATOM 0 HA3 GLY A 70 19.024 0.326 -8.143 1.00 0.00 H new ATOM 1050 N ALA A 71 19.799 1.331 -10.511 1.00 0.00 N ATOM 1051 CA ALA A 71 19.793 2.008 -11.795 1.00 0.00 C ATOM 1052 C ALA A 71 21.149 2.654 -12.031 1.00 0.00 C ATOM 1053 O ALA A 71 21.276 3.880 -12.094 1.00 0.00 O ATOM 1054 CB ALA A 71 18.682 3.040 -11.853 1.00 0.00 C ATOM 0 H ALA A 71 20.387 1.780 -9.809 1.00 0.00 H new ATOM 0 HA ALA A 71 19.606 1.279 -12.584 1.00 0.00 H new ATOM 0 HB1 ALA A 71 18.696 3.535 -12.824 1.00 0.00 H new ATOM 0 HB2 ALA A 71 17.720 2.547 -11.711 1.00 0.00 H new ATOM 0 HB3 ALA A 71 18.831 3.780 -11.066 1.00 0.00 H new ATOM 1060 N GLY A 72 22.169 1.819 -12.072 1.00 0.00 N ATOM 1061 CA GLY A 72 23.523 2.295 -12.237 1.00 0.00 C ATOM 1062 C GLY A 72 24.485 1.154 -12.461 1.00 0.00 C ATOM 1063 O GLY A 72 24.666 0.310 -11.582 1.00 0.00 O ATOM 0 H GLY A 72 22.082 0.806 -11.993 1.00 0.00 H new ATOM 0 HA2 GLY A 72 23.568 2.982 -13.082 1.00 0.00 H new ATOM 0 HA3 GLY A 72 23.823 2.857 -11.353 1.00 0.00 H new ATOM 1067 N GLY A 73 25.029 1.074 -13.668 1.00 0.00 N ATOM 1068 CA GLY A 73 25.907 -0.025 -14.022 1.00 0.00 C ATOM 1069 C GLY A 73 27.104 -0.144 -13.100 1.00 0.00 C ATOM 1070 O GLY A 73 27.544 -1.249 -12.778 1.00 0.00 O ATOM 0 H GLY A 73 24.877 1.755 -14.412 1.00 0.00 H new ATOM 0 HA2 GLY A 73 25.342 -0.957 -13.998 1.00 0.00 H new ATOM 0 HA3 GLY A 73 26.255 0.110 -15.046 1.00 0.00 H new ATOM 1074 N SER A 74 27.608 0.994 -12.650 1.00 0.00 N ATOM 1075 CA SER A 74 28.741 1.021 -11.740 1.00 0.00 C ATOM 1076 C SER A 74 28.279 1.289 -10.310 1.00 0.00 C ATOM 1077 O SER A 74 29.035 1.806 -9.483 1.00 0.00 O ATOM 1078 CB SER A 74 29.738 2.088 -12.188 1.00 0.00 C ATOM 1079 OG SER A 74 29.525 2.441 -13.548 1.00 0.00 O ATOM 0 H SER A 74 27.248 1.915 -12.902 1.00 0.00 H new ATOM 0 HA SER A 74 29.230 0.047 -11.760 1.00 0.00 H new ATOM 0 HB2 SER A 74 29.638 2.972 -11.559 1.00 0.00 H new ATOM 0 HB3 SER A 74 30.755 1.718 -12.059 1.00 0.00 H new ATOM 0 HG SER A 74 30.173 3.127 -13.813 1.00 0.00 H new ATOM 1085 N GLY A 75 27.020 0.977 -10.040 1.00 0.00 N ATOM 1086 CA GLY A 75 26.456 1.230 -8.733 1.00 0.00 C ATOM 1087 C GLY A 75 25.507 2.405 -8.754 1.00 0.00 C ATOM 1088 O GLY A 75 25.497 3.176 -9.714 1.00 0.00 O ATOM 0 H GLY A 75 26.377 0.551 -10.708 1.00 0.00 H new ATOM 0 HA2 GLY A 75 25.928 0.342 -8.386 1.00 0.00 H new ATOM 0 HA3 GLY A 75 27.259 1.423 -8.021 1.00 0.00 H new ATOM 1092 N GLY A 76 24.738 2.568 -7.693 1.00 0.00 N ATOM 1093 CA GLY A 76 23.830 3.691 -7.608 1.00 0.00 C ATOM 1094 C GLY A 76 24.485 4.879 -6.941 1.00 0.00 C ATOM 1095 O GLY A 76 25.211 4.719 -5.957 1.00 0.00 O ATOM 0 H GLY A 76 24.725 1.943 -6.887 1.00 0.00 H new ATOM 0 HA2 GLY A 76 23.499 3.970 -8.608 1.00 0.00 H new ATOM 0 HA3 GLY A 76 22.941 3.401 -7.047 1.00 0.00 H new ATOM 1099 N HIS A 77 24.295 6.063 -7.503 1.00 0.00 N ATOM 1100 CA HIS A 77 24.921 7.257 -6.964 1.00 0.00 C ATOM 1101 C HIS A 77 24.045 8.483 -7.185 1.00 0.00 C ATOM 1102 O HIS A 77 22.932 8.370 -7.705 1.00 0.00 O ATOM 1103 CB HIS A 77 26.295 7.472 -7.597 1.00 0.00 C ATOM 1104 CG HIS A 77 27.433 7.217 -6.657 1.00 0.00 C ATOM 1105 ND1 HIS A 77 27.372 7.484 -5.306 1.00 0.00 N ATOM 1106 CD2 HIS A 77 28.668 6.714 -6.883 1.00 0.00 C ATOM 1107 CE1 HIS A 77 28.520 7.157 -4.744 1.00 0.00 C ATOM 1108 NE2 HIS A 77 29.325 6.685 -5.677 1.00 0.00 N ATOM 0 H HIS A 77 23.715 6.221 -8.327 1.00 0.00 H new ATOM 0 HA HIS A 77 25.045 7.115 -5.890 1.00 0.00 H new ATOM 0 HB2 HIS A 77 26.394 6.816 -8.462 1.00 0.00 H new ATOM 0 HB3 HIS A 77 26.361 8.496 -7.965 1.00 0.00 H new ATOM 0 HD2 HIS A 77 29.064 6.394 -7.835 1.00 0.00 H new ATOM 0 HE1 HIS A 77 28.761 7.259 -3.696 1.00 0.00 H new ATOM 0 HE2 HIS A 77 30.278 6.353 -5.527 1.00 0.00 H new ATOM 1117 N MET A 78 24.548 9.642 -6.750 1.00 0.00 N ATOM 1118 CA MET A 78 23.826 10.911 -6.852 1.00 0.00 C ATOM 1119 C MET A 78 22.529 10.862 -6.052 1.00 0.00 C ATOM 1120 O MET A 78 21.541 11.505 -6.412 1.00 0.00 O ATOM 1121 CB MET A 78 23.529 11.255 -8.316 1.00 0.00 C ATOM 1122 CG MET A 78 24.350 12.415 -8.850 1.00 0.00 C ATOM 1123 SD MET A 78 24.460 12.412 -10.651 1.00 0.00 S ATOM 1124 CE MET A 78 25.342 10.876 -10.934 1.00 0.00 C ATOM 0 H MET A 78 25.468 9.726 -6.317 1.00 0.00 H new ATOM 0 HA MET A 78 24.463 11.691 -6.435 1.00 0.00 H new ATOM 0 HB2 MET A 78 23.716 10.375 -8.932 1.00 0.00 H new ATOM 0 HB3 MET A 78 22.470 11.495 -8.416 1.00 0.00 H new ATOM 0 HG2 MET A 78 23.906 13.353 -8.518 1.00 0.00 H new ATOM 0 HG3 MET A 78 25.354 12.370 -8.428 1.00 0.00 H new ATOM 0 HE1 MET A 78 25.911 10.949 -11.861 1.00 0.00 H new ATOM 0 HE2 MET A 78 26.023 10.689 -10.104 1.00 0.00 H new ATOM 0 HE3 MET A 78 24.629 10.055 -11.010 1.00 0.00 H new ATOM 1134 N GLY A 79 22.523 10.031 -5.014 1.00 0.00 N ATOM 1135 CA GLY A 79 21.316 9.805 -4.243 1.00 0.00 C ATOM 1136 C GLY A 79 20.315 8.986 -5.027 1.00 0.00 C ATOM 1137 O GLY A 79 20.375 7.757 -5.035 1.00 0.00 O ATOM 0 H GLY A 79 23.338 9.508 -4.693 1.00 0.00 H new ATOM 0 HA2 GLY A 79 21.565 9.290 -3.315 1.00 0.00 H new ATOM 0 HA3 GLY A 79 20.872 10.762 -3.968 1.00 0.00 H new ATOM 1141 N SER A 80 19.511 9.673 -5.817 1.00 0.00 N ATOM 1142 CA SER A 80 18.610 9.023 -6.745 1.00 0.00 C ATOM 1143 C SER A 80 18.919 9.492 -8.164 1.00 0.00 C ATOM 1144 O SER A 80 18.213 10.337 -8.719 1.00 0.00 O ATOM 1145 CB SER A 80 17.152 9.326 -6.379 1.00 0.00 C ATOM 1146 OG SER A 80 17.066 10.268 -5.317 1.00 0.00 O ATOM 0 H SER A 80 19.465 10.692 -5.832 1.00 0.00 H new ATOM 0 HA SER A 80 18.752 7.944 -6.688 1.00 0.00 H new ATOM 0 HB2 SER A 80 16.629 9.713 -7.254 1.00 0.00 H new ATOM 0 HB3 SER A 80 16.649 8.403 -6.090 1.00 0.00 H new ATOM 0 HG SER A 80 16.723 11.119 -5.661 1.00 0.00 H new ATOM 1152 N GLY A 81 20.039 9.027 -8.707 1.00 0.00 N ATOM 1153 CA GLY A 81 20.468 9.471 -10.021 1.00 0.00 C ATOM 1154 C GLY A 81 20.289 8.404 -11.083 1.00 0.00 C ATOM 1155 O GLY A 81 21.106 8.281 -11.991 1.00 0.00 O ATOM 0 H GLY A 81 20.658 8.350 -8.261 1.00 0.00 H new ATOM 0 HA2 GLY A 81 19.902 10.358 -10.304 1.00 0.00 H new ATOM 0 HA3 GLY A 81 21.517 9.763 -9.977 1.00 0.00 H new ATOM 1159 N GLY A 82 19.219 7.632 -10.966 1.00 0.00 N ATOM 1160 CA GLY A 82 18.957 6.572 -11.917 1.00 0.00 C ATOM 1161 C GLY A 82 18.418 7.087 -13.236 1.00 0.00 C ATOM 1162 O GLY A 82 18.772 6.576 -14.298 1.00 0.00 O ATOM 0 H GLY A 82 18.524 7.722 -10.225 1.00 0.00 H new ATOM 0 HA2 GLY A 82 19.877 6.017 -12.098 1.00 0.00 H new ATOM 0 HA3 GLY A 82 18.242 5.872 -11.486 1.00 0.00 H new ATOM 1166 N ASP A 83 17.618 8.147 -13.179 1.00 0.00 N ATOM 1167 CA ASP A 83 17.044 8.753 -14.384 1.00 0.00 C ATOM 1168 C ASP A 83 18.131 9.408 -15.226 1.00 0.00 C ATOM 1169 O ASP A 83 17.978 9.600 -16.434 1.00 0.00 O ATOM 1170 CB ASP A 83 15.980 9.790 -14.008 1.00 0.00 C ATOM 1171 CG ASP A 83 15.177 10.275 -15.201 1.00 0.00 C ATOM 1172 OD1 ASP A 83 14.595 9.434 -15.919 1.00 0.00 O ATOM 1173 OD2 ASP A 83 15.108 11.503 -15.415 1.00 0.00 O ATOM 0 H ASP A 83 17.349 8.608 -12.310 1.00 0.00 H new ATOM 0 HA ASP A 83 16.575 7.963 -14.971 1.00 0.00 H new ATOM 0 HB2 ASP A 83 15.302 9.357 -13.273 1.00 0.00 H new ATOM 0 HB3 ASP A 83 16.464 10.643 -13.532 1.00 0.00 H new ATOM 1178 N VAL A 84 19.251 9.709 -14.584 1.00 0.00 N ATOM 1179 CA VAL A 84 20.392 10.302 -15.267 1.00 0.00 C ATOM 1180 C VAL A 84 21.357 9.221 -15.745 1.00 0.00 C ATOM 1181 O VAL A 84 22.268 9.491 -16.529 1.00 0.00 O ATOM 1182 CB VAL A 84 21.159 11.287 -14.353 1.00 0.00 C ATOM 1183 CG1 VAL A 84 21.691 12.461 -15.160 1.00 0.00 C ATOM 1184 CG2 VAL A 84 20.277 11.773 -13.210 1.00 0.00 C ATOM 0 H VAL A 84 19.394 9.551 -13.586 1.00 0.00 H new ATOM 0 HA VAL A 84 19.997 10.851 -16.122 1.00 0.00 H new ATOM 0 HB VAL A 84 22.006 10.756 -13.919 1.00 0.00 H new ATOM 0 HG11 VAL A 84 22.227 13.143 -14.500 1.00 0.00 H new ATOM 0 HG12 VAL A 84 22.368 12.095 -15.932 1.00 0.00 H new ATOM 0 HG13 VAL A 84 20.859 12.988 -15.628 1.00 0.00 H new ATOM 0 HG21 VAL A 84 20.841 12.464 -12.583 1.00 0.00 H new ATOM 0 HG22 VAL A 84 19.403 12.282 -13.616 1.00 0.00 H new ATOM 0 HG23 VAL A 84 19.955 10.921 -12.612 1.00 0.00 H new ATOM 1194 N MET A 85 21.173 8.005 -15.244 1.00 0.00 N ATOM 1195 CA MET A 85 22.061 6.897 -15.575 1.00 0.00 C ATOM 1196 C MET A 85 21.455 6.001 -16.647 1.00 0.00 C ATOM 1197 O MET A 85 22.141 5.600 -17.589 1.00 0.00 O ATOM 1198 CB MET A 85 22.370 6.076 -14.324 1.00 0.00 C ATOM 1199 CG MET A 85 23.847 6.043 -13.971 1.00 0.00 C ATOM 1200 SD MET A 85 24.378 7.509 -13.056 1.00 0.00 S ATOM 1201 CE MET A 85 25.953 7.837 -13.841 1.00 0.00 C ATOM 0 H MET A 85 20.415 7.761 -14.606 1.00 0.00 H new ATOM 0 HA MET A 85 22.987 7.318 -15.968 1.00 0.00 H new ATOM 0 HB2 MET A 85 21.812 6.487 -13.482 1.00 0.00 H new ATOM 0 HB3 MET A 85 22.017 5.055 -14.472 1.00 0.00 H new ATOM 0 HG2 MET A 85 24.054 5.153 -13.376 1.00 0.00 H new ATOM 0 HG3 MET A 85 24.433 5.959 -14.886 1.00 0.00 H new ATOM 0 HE1 MET A 85 26.410 8.716 -13.387 1.00 0.00 H new ATOM 0 HE2 MET A 85 26.611 6.978 -13.710 1.00 0.00 H new ATOM 0 HE3 MET A 85 25.799 8.017 -14.905 1.00 0.00 H new ATOM 1211 N VAL A 86 20.171 5.694 -16.509 1.00 0.00 N ATOM 1212 CA VAL A 86 19.484 4.844 -17.473 1.00 0.00 C ATOM 1213 C VAL A 86 19.102 5.638 -18.719 1.00 0.00 C ATOM 1214 O VAL A 86 17.923 5.851 -19.011 1.00 0.00 O ATOM 1215 CB VAL A 86 18.222 4.185 -16.872 1.00 0.00 C ATOM 1216 CG1 VAL A 86 17.749 3.036 -17.749 1.00 0.00 C ATOM 1217 CG2 VAL A 86 18.490 3.693 -15.457 1.00 0.00 C ATOM 0 H VAL A 86 19.585 6.020 -15.740 1.00 0.00 H new ATOM 0 HA VAL A 86 20.181 4.052 -17.747 1.00 0.00 H new ATOM 0 HB VAL A 86 17.435 4.938 -16.831 1.00 0.00 H new ATOM 0 HG11 VAL A 86 16.860 2.585 -17.309 1.00 0.00 H new ATOM 0 HG12 VAL A 86 17.511 3.412 -18.744 1.00 0.00 H new ATOM 0 HG13 VAL A 86 18.537 2.287 -17.823 1.00 0.00 H new ATOM 0 HG21 VAL A 86 17.587 3.233 -15.055 1.00 0.00 H new ATOM 0 HG22 VAL A 86 19.295 2.959 -15.474 1.00 0.00 H new ATOM 0 HG23 VAL A 86 18.780 4.535 -14.828 1.00 0.00 H new ATOM 1227 N VAL A 87 20.112 6.070 -19.452 1.00 0.00 N ATOM 1228 CA VAL A 87 19.913 6.812 -20.686 1.00 0.00 C ATOM 1229 C VAL A 87 20.711 6.161 -21.806 1.00 0.00 C ATOM 1230 O VAL A 87 21.886 6.467 -22.006 1.00 0.00 O ATOM 1231 CB VAL A 87 20.324 8.294 -20.543 1.00 0.00 C ATOM 1232 CG1 VAL A 87 19.150 9.129 -20.057 1.00 0.00 C ATOM 1233 CG2 VAL A 87 21.513 8.445 -19.604 1.00 0.00 C ATOM 0 H VAL A 87 21.091 5.918 -19.211 1.00 0.00 H new ATOM 0 HA VAL A 87 18.849 6.788 -20.922 1.00 0.00 H new ATOM 0 HB VAL A 87 20.624 8.657 -21.526 1.00 0.00 H new ATOM 0 HG11 VAL A 87 19.459 10.170 -19.962 1.00 0.00 H new ATOM 0 HG12 VAL A 87 18.331 9.057 -20.773 1.00 0.00 H new ATOM 0 HG13 VAL A 87 18.817 8.759 -19.087 1.00 0.00 H new ATOM 0 HG21 VAL A 87 21.781 9.498 -19.522 1.00 0.00 H new ATOM 0 HG22 VAL A 87 21.250 8.060 -18.619 1.00 0.00 H new ATOM 0 HG23 VAL A 87 22.361 7.885 -19.998 1.00 0.00 H new ATOM 1243 N GLY A 88 20.117 5.160 -22.430 1.00 0.00 N ATOM 1244 CA GLY A 88 20.821 4.388 -23.431 1.00 0.00 C ATOM 1245 C GLY A 88 21.183 3.008 -22.927 1.00 0.00 C ATOM 1246 O GLY A 88 22.027 2.323 -23.503 1.00 0.00 O ATOM 0 H GLY A 88 19.155 4.866 -22.261 1.00 0.00 H new ATOM 0 HA2 GLY A 88 20.201 4.298 -24.323 1.00 0.00 H new ATOM 0 HA3 GLY A 88 21.728 4.916 -23.726 1.00 0.00 H new ATOM 1250 N GLU A 89 20.514 2.593 -21.861 1.00 0.00 N ATOM 1251 CA GLU A 89 20.731 1.280 -21.271 1.00 0.00 C ATOM 1252 C GLU A 89 19.635 0.317 -21.733 1.00 0.00 C ATOM 1253 O GLU A 89 18.679 0.740 -22.389 1.00 0.00 O ATOM 1254 CB GLU A 89 20.735 1.399 -19.742 1.00 0.00 C ATOM 1255 CG GLU A 89 21.873 2.248 -19.198 1.00 0.00 C ATOM 1256 CD GLU A 89 22.960 1.420 -18.542 1.00 0.00 C ATOM 1257 OE1 GLU A 89 22.826 0.180 -18.490 1.00 0.00 O ATOM 1258 OE2 GLU A 89 23.951 2.008 -18.063 1.00 0.00 O ATOM 0 H GLU A 89 19.809 3.154 -21.383 1.00 0.00 H new ATOM 0 HA GLU A 89 21.695 0.888 -21.595 1.00 0.00 H new ATOM 0 HB2 GLU A 89 19.787 1.827 -19.417 1.00 0.00 H new ATOM 0 HB3 GLU A 89 20.799 0.401 -19.309 1.00 0.00 H new ATOM 0 HG2 GLU A 89 22.307 2.831 -20.011 1.00 0.00 H new ATOM 0 HG3 GLU A 89 21.476 2.959 -18.473 1.00 0.00 H new ATOM 1265 N PRO A 90 19.764 -0.996 -21.445 1.00 0.00 N ATOM 1266 CA PRO A 90 18.758 -1.992 -21.843 1.00 0.00 C ATOM 1267 C PRO A 90 17.371 -1.647 -21.303 1.00 0.00 C ATOM 1268 O PRO A 90 16.359 -1.861 -21.971 1.00 0.00 O ATOM 1269 CB PRO A 90 19.268 -3.293 -21.220 1.00 0.00 C ATOM 1270 CG PRO A 90 20.733 -3.085 -21.058 1.00 0.00 C ATOM 1271 CD PRO A 90 20.908 -1.625 -20.757 1.00 0.00 C ATOM 0 HA PRO A 90 18.643 -2.047 -22.925 1.00 0.00 H new ATOM 0 HB2 PRO A 90 18.787 -3.488 -20.261 1.00 0.00 H new ATOM 0 HB3 PRO A 90 19.058 -4.149 -21.862 1.00 0.00 H new ATOM 0 HG2 PRO A 90 21.128 -3.701 -20.250 1.00 0.00 H new ATOM 0 HG3 PRO A 90 21.270 -3.365 -21.964 1.00 0.00 H new ATOM 0 HD2 PRO A 90 20.889 -1.430 -19.685 1.00 0.00 H new ATOM 0 HD3 PRO A 90 21.860 -1.248 -21.132 1.00 0.00 H new ATOM 1279 N THR A 91 17.349 -1.020 -20.134 1.00 0.00 N ATOM 1280 CA THR A 91 16.116 -0.533 -19.546 1.00 0.00 C ATOM 1281 C THR A 91 15.625 0.703 -20.296 1.00 0.00 C ATOM 1282 O THR A 91 16.312 1.725 -20.346 1.00 0.00 O ATOM 1283 CB THR A 91 16.323 -0.183 -18.060 1.00 0.00 C ATOM 1284 OG1 THR A 91 17.647 -0.565 -17.651 1.00 0.00 O ATOM 1285 CG2 THR A 91 15.293 -0.883 -17.185 1.00 0.00 C ATOM 0 H THR A 91 18.181 -0.837 -19.573 1.00 0.00 H new ATOM 0 HA THR A 91 15.369 -1.323 -19.623 1.00 0.00 H new ATOM 0 HB THR A 91 16.199 0.893 -17.941 1.00 0.00 H new ATOM 0 HG1 THR A 91 18.282 0.138 -17.902 1.00 0.00 H new ATOM 0 HG21 THR A 91 15.462 -0.618 -16.141 1.00 0.00 H new ATOM 0 HG22 THR A 91 14.292 -0.570 -17.481 1.00 0.00 H new ATOM 0 HG23 THR A 91 15.387 -1.962 -17.305 1.00 0.00 H new ATOM 1293 N LEU A 92 14.479 0.575 -20.949 1.00 0.00 N ATOM 1294 CA LEU A 92 13.931 1.665 -21.748 1.00 0.00 C ATOM 1295 C LEU A 92 13.326 2.731 -20.843 1.00 0.00 C ATOM 1296 O LEU A 92 13.445 3.931 -21.106 1.00 0.00 O ATOM 1297 CB LEU A 92 12.880 1.137 -22.728 1.00 0.00 C ATOM 1298 CG LEU A 92 13.224 -0.204 -23.383 1.00 0.00 C ATOM 1299 CD1 LEU A 92 12.047 -0.723 -24.190 1.00 0.00 C ATOM 1300 CD2 LEU A 92 14.455 -0.067 -24.264 1.00 0.00 C ATOM 0 H LEU A 92 13.910 -0.271 -20.942 1.00 0.00 H new ATOM 0 HA LEU A 92 14.741 2.114 -22.322 1.00 0.00 H new ATOM 0 HB2 LEU A 92 11.932 1.034 -22.200 1.00 0.00 H new ATOM 0 HB3 LEU A 92 12.730 1.880 -23.512 1.00 0.00 H new ATOM 0 HG LEU A 92 13.443 -0.924 -22.594 1.00 0.00 H new ATOM 0 HD11 LEU A 92 12.312 -1.676 -24.647 1.00 0.00 H new ATOM 0 HD12 LEU A 92 11.188 -0.861 -23.533 1.00 0.00 H new ATOM 0 HD13 LEU A 92 11.795 -0.004 -24.970 1.00 0.00 H new ATOM 0 HD21 LEU A 92 14.684 -1.030 -24.721 1.00 0.00 H new ATOM 0 HD22 LEU A 92 14.263 0.669 -25.045 1.00 0.00 H new ATOM 0 HD23 LEU A 92 15.301 0.258 -23.659 1.00 0.00 H new ATOM 1312 N MET A 93 12.746 2.289 -19.739 1.00 0.00 N ATOM 1313 CA MET A 93 12.194 3.190 -18.742 1.00 0.00 C ATOM 1314 C MET A 93 12.965 3.047 -17.434 1.00 0.00 C ATOM 1315 O MET A 93 12.767 2.090 -16.687 1.00 0.00 O ATOM 1316 CB MET A 93 10.711 2.890 -18.514 1.00 0.00 C ATOM 1317 CG MET A 93 10.050 3.809 -17.499 1.00 0.00 C ATOM 1318 SD MET A 93 9.154 2.908 -16.219 1.00 0.00 S ATOM 1319 CE MET A 93 8.792 4.236 -15.073 1.00 0.00 C ATOM 0 H MET A 93 12.645 1.300 -19.510 1.00 0.00 H new ATOM 0 HA MET A 93 12.288 4.214 -19.103 1.00 0.00 H new ATOM 0 HB2 MET A 93 10.183 2.973 -19.464 1.00 0.00 H new ATOM 0 HB3 MET A 93 10.606 1.858 -18.179 1.00 0.00 H new ATOM 0 HG2 MET A 93 10.811 4.434 -17.032 1.00 0.00 H new ATOM 0 HG3 MET A 93 9.362 4.478 -18.016 1.00 0.00 H new ATOM 0 HE1 MET A 93 8.570 3.819 -14.091 1.00 0.00 H new ATOM 0 HE2 MET A 93 9.655 4.898 -14.999 1.00 0.00 H new ATOM 0 HE3 MET A 93 7.931 4.801 -15.431 1.00 0.00 H new ATOM 1329 N GLY A 94 13.871 3.977 -17.186 1.00 0.00 N ATOM 1330 CA GLY A 94 14.668 3.934 -15.976 1.00 0.00 C ATOM 1331 C GLY A 94 14.005 4.672 -14.837 1.00 0.00 C ATOM 1332 O GLY A 94 14.456 5.745 -14.438 1.00 0.00 O ATOM 0 H GLY A 94 14.071 4.765 -17.802 1.00 0.00 H new ATOM 0 HA2 GLY A 94 14.834 2.896 -15.688 1.00 0.00 H new ATOM 0 HA3 GLY A 94 15.647 4.372 -16.171 1.00 0.00 H new ATOM 1336 N GLY A 95 12.909 4.116 -14.339 1.00 0.00 N ATOM 1337 CA GLY A 95 12.172 4.754 -13.268 1.00 0.00 C ATOM 1338 C GLY A 95 12.802 4.507 -11.917 1.00 0.00 C ATOM 1339 O GLY A 95 12.910 5.428 -11.103 1.00 0.00 O ATOM 0 H GLY A 95 12.516 3.231 -14.660 1.00 0.00 H new ATOM 0 HA2 GLY A 95 12.121 5.827 -13.453 1.00 0.00 H new ATOM 0 HA3 GLY A 95 11.147 4.383 -13.263 1.00 0.00 H new ATOM 1343 N GLU A 96 13.237 3.270 -11.692 1.00 0.00 N ATOM 1344 CA GLU A 96 13.871 2.887 -10.432 1.00 0.00 C ATOM 1345 C GLU A 96 15.100 3.748 -10.153 1.00 0.00 C ATOM 1346 O GLU A 96 15.887 4.022 -11.057 1.00 0.00 O ATOM 1347 CB GLU A 96 14.277 1.412 -10.459 1.00 0.00 C ATOM 1348 CG GLU A 96 13.105 0.451 -10.569 1.00 0.00 C ATOM 1349 CD GLU A 96 13.281 -0.549 -11.692 1.00 0.00 C ATOM 1350 OE1 GLU A 96 13.631 -0.131 -12.815 1.00 0.00 O ATOM 1351 OE2 GLU A 96 13.073 -1.759 -11.462 1.00 0.00 O ATOM 0 H GLU A 96 13.162 2.511 -12.370 1.00 0.00 H new ATOM 0 HA GLU A 96 13.143 3.044 -9.636 1.00 0.00 H new ATOM 0 HB2 GLU A 96 14.950 1.246 -11.300 1.00 0.00 H new ATOM 0 HB3 GLU A 96 14.838 1.183 -9.553 1.00 0.00 H new ATOM 0 HG2 GLU A 96 12.987 -0.083 -9.626 1.00 0.00 H new ATOM 0 HG3 GLU A 96 12.188 1.018 -10.731 1.00 0.00 H new ATOM 1358 N PHE A 97 15.207 4.227 -8.913 1.00 0.00 N ATOM 1359 CA PHE A 97 16.303 5.099 -8.484 1.00 0.00 C ATOM 1360 C PHE A 97 16.273 6.433 -9.220 1.00 0.00 C ATOM 1361 O PHE A 97 17.222 7.212 -9.152 1.00 0.00 O ATOM 1362 CB PHE A 97 17.659 4.414 -8.682 1.00 0.00 C ATOM 1363 CG PHE A 97 18.404 4.180 -7.400 1.00 0.00 C ATOM 1364 CD1 PHE A 97 17.717 3.945 -6.221 1.00 0.00 C ATOM 1365 CD2 PHE A 97 19.788 4.194 -7.376 1.00 0.00 C ATOM 1366 CE1 PHE A 97 18.397 3.726 -5.040 1.00 0.00 C ATOM 1367 CE2 PHE A 97 20.476 3.976 -6.196 1.00 0.00 C ATOM 1368 CZ PHE A 97 19.779 3.743 -5.027 1.00 0.00 C ATOM 0 H PHE A 97 14.534 4.021 -8.175 1.00 0.00 H new ATOM 0 HA PHE A 97 16.165 5.295 -7.421 1.00 0.00 H new ATOM 0 HB2 PHE A 97 17.505 3.458 -9.183 1.00 0.00 H new ATOM 0 HB3 PHE A 97 18.273 5.025 -9.343 1.00 0.00 H new ATOM 0 HD1 PHE A 97 16.637 3.933 -6.226 1.00 0.00 H new ATOM 0 HD2 PHE A 97 20.336 4.377 -8.288 1.00 0.00 H new ATOM 0 HE1 PHE A 97 17.850 3.542 -4.127 1.00 0.00 H new ATOM 0 HE2 PHE A 97 21.556 3.988 -6.189 1.00 0.00 H new ATOM 0 HZ PHE A 97 20.313 3.574 -4.104 1.00 0.00 H new ATOM 1378 N GLY A 98 15.166 6.708 -9.890 1.00 0.00 N ATOM 1379 CA GLY A 98 15.023 7.950 -10.618 1.00 0.00 C ATOM 1380 C GLY A 98 14.413 9.040 -9.765 1.00 0.00 C ATOM 1381 O GLY A 98 14.050 10.103 -10.278 1.00 0.00 O ATOM 0 H GLY A 98 14.358 6.088 -9.943 1.00 0.00 H new ATOM 0 HA2 GLY A 98 16.000 8.274 -10.977 1.00 0.00 H new ATOM 0 HA3 GLY A 98 14.399 7.785 -11.497 1.00 0.00 H new ATOM 1385 N ASP A 99 14.255 8.739 -8.471 1.00 0.00 N ATOM 1386 CA ASP A 99 13.660 9.654 -7.491 1.00 0.00 C ATOM 1387 C ASP A 99 12.137 9.653 -7.592 1.00 0.00 C ATOM 1388 O ASP A 99 11.443 9.612 -6.581 1.00 0.00 O ATOM 1389 CB ASP A 99 14.218 11.081 -7.639 1.00 0.00 C ATOM 1390 CG ASP A 99 13.377 12.133 -6.940 1.00 0.00 C ATOM 1391 OD1 ASP A 99 13.339 12.136 -5.691 1.00 0.00 O ATOM 1392 OD2 ASP A 99 12.769 12.975 -7.638 1.00 0.00 O ATOM 0 H ASP A 99 14.539 7.845 -8.071 1.00 0.00 H new ATOM 0 HA ASP A 99 13.934 9.293 -6.500 1.00 0.00 H new ATOM 0 HB2 ASP A 99 15.231 11.110 -7.237 1.00 0.00 H new ATOM 0 HB3 ASP A 99 14.288 11.328 -8.698 1.00 0.00 H new ATOM 1397 N GLU A 100 11.618 9.613 -8.812 1.00 0.00 N ATOM 1398 CA GLU A 100 10.177 9.560 -9.023 1.00 0.00 C ATOM 1399 C GLU A 100 9.692 8.112 -9.127 1.00 0.00 C ATOM 1400 O GLU A 100 8.607 7.845 -9.649 1.00 0.00 O ATOM 1401 CB GLU A 100 9.792 10.336 -10.286 1.00 0.00 C ATOM 1402 CG GLU A 100 10.130 11.815 -10.217 1.00 0.00 C ATOM 1403 CD GLU A 100 9.412 12.630 -11.273 1.00 0.00 C ATOM 1404 OE1 GLU A 100 9.557 12.314 -12.471 1.00 0.00 O ATOM 1405 OE2 GLU A 100 8.709 13.599 -10.915 1.00 0.00 O ATOM 0 H GLU A 100 12.171 9.616 -9.669 1.00 0.00 H new ATOM 0 HA GLU A 100 9.693 10.023 -8.163 1.00 0.00 H new ATOM 0 HB2 GLU A 100 10.301 9.895 -11.143 1.00 0.00 H new ATOM 0 HB3 GLU A 100 8.722 10.224 -10.459 1.00 0.00 H new ATOM 0 HG2 GLU A 100 9.869 12.197 -9.230 1.00 0.00 H new ATOM 0 HG3 GLU A 100 11.206 11.943 -10.335 1.00 0.00 H new ATOM 1412 N ASP A 101 10.479 7.187 -8.592 1.00 0.00 N ATOM 1413 CA ASP A 101 10.099 5.777 -8.578 1.00 0.00 C ATOM 1414 C ASP A 101 9.220 5.476 -7.377 1.00 0.00 C ATOM 1415 O ASP A 101 8.424 4.537 -7.397 1.00 0.00 O ATOM 1416 CB ASP A 101 11.318 4.845 -8.575 1.00 0.00 C ATOM 1417 CG ASP A 101 12.377 5.190 -7.540 1.00 0.00 C ATOM 1418 OD1 ASP A 101 12.440 6.350 -7.082 1.00 0.00 O ATOM 1419 OD2 ASP A 101 13.171 4.287 -7.199 1.00 0.00 O ATOM 0 H ASP A 101 11.383 7.385 -8.163 1.00 0.00 H new ATOM 0 HA ASP A 101 9.542 5.590 -9.496 1.00 0.00 H new ATOM 0 HB2 ASP A 101 10.978 3.824 -8.401 1.00 0.00 H new ATOM 0 HB3 ASP A 101 11.776 4.864 -9.564 1.00 0.00 H new ATOM 1424 N GLU A 102 9.276 6.351 -6.385 1.00 0.00 N ATOM 1425 CA GLU A 102 8.375 6.259 -5.251 1.00 0.00 C ATOM 1426 C GLU A 102 7.065 6.965 -5.597 1.00 0.00 C ATOM 1427 O GLU A 102 6.419 6.607 -6.585 1.00 0.00 O ATOM 1428 CB GLU A 102 9.006 6.855 -3.984 1.00 0.00 C ATOM 1429 CG GLU A 102 10.018 7.958 -4.247 1.00 0.00 C ATOM 1430 CD GLU A 102 9.679 9.235 -3.510 1.00 0.00 C ATOM 1431 OE1 GLU A 102 8.480 9.559 -3.401 1.00 0.00 O ATOM 1432 OE2 GLU A 102 10.611 9.920 -3.039 1.00 0.00 O ATOM 0 H GLU A 102 9.934 7.129 -6.344 1.00 0.00 H new ATOM 0 HA GLU A 102 8.175 5.208 -5.041 1.00 0.00 H new ATOM 0 HB2 GLU A 102 8.213 7.250 -3.349 1.00 0.00 H new ATOM 0 HB3 GLU A 102 9.494 6.056 -3.425 1.00 0.00 H new ATOM 0 HG2 GLU A 102 11.009 7.619 -3.945 1.00 0.00 H new ATOM 0 HG3 GLU A 102 10.063 8.160 -5.317 1.00 0.00 H new ATOM 1439 N ARG A 103 6.749 8.035 -4.863 1.00 0.00 N ATOM 1440 CA ARG A 103 5.572 8.864 -5.136 1.00 0.00 C ATOM 1441 C ARG A 103 4.338 8.012 -5.408 1.00 0.00 C ATOM 1442 O ARG A 103 3.608 8.238 -6.373 1.00 0.00 O ATOM 1443 CB ARG A 103 5.841 9.797 -6.319 1.00 0.00 C ATOM 1444 CG ARG A 103 6.151 11.225 -5.904 1.00 0.00 C ATOM 1445 CD ARG A 103 7.463 11.703 -6.501 1.00 0.00 C ATOM 1446 NE ARG A 103 8.566 11.614 -5.550 1.00 0.00 N ATOM 1447 CZ ARG A 103 9.790 12.092 -5.780 1.00 0.00 C ATOM 1448 NH1 ARG A 103 10.048 12.778 -6.886 1.00 0.00 N ATOM 1449 NH2 ARG A 103 10.751 11.901 -4.891 1.00 0.00 N ATOM 0 H ARG A 103 7.300 8.351 -4.065 1.00 0.00 H new ATOM 0 HA ARG A 103 5.375 9.463 -4.247 1.00 0.00 H new ATOM 0 HB2 ARG A 103 6.677 9.405 -6.898 1.00 0.00 H new ATOM 0 HB3 ARG A 103 4.971 9.798 -6.976 1.00 0.00 H new ATOM 0 HG2 ARG A 103 5.343 11.882 -6.225 1.00 0.00 H new ATOM 0 HG3 ARG A 103 6.200 11.287 -4.817 1.00 0.00 H new ATOM 0 HD2 ARG A 103 7.697 11.107 -7.383 1.00 0.00 H new ATOM 0 HD3 ARG A 103 7.354 12.735 -6.833 1.00 0.00 H new ATOM 0 HE ARG A 103 8.390 11.158 -4.654 1.00 0.00 H new ATOM 0 HH11 ARG A 103 9.308 12.943 -7.568 1.00 0.00 H new ATOM 0 HH12 ARG A 103 10.987 13.140 -7.054 1.00 0.00 H new ATOM 0 HH21 ARG A 103 10.556 11.389 -4.031 1.00 0.00 H new ATOM 0 HH22 ARG A 103 11.687 12.266 -5.066 1.00 0.00 H new ATOM 1463 N LEU A 104 4.153 6.984 -4.597 1.00 0.00 N ATOM 1464 CA LEU A 104 3.059 6.051 -4.797 1.00 0.00 C ATOM 1465 C LEU A 104 1.931 6.320 -3.818 1.00 0.00 C ATOM 1466 O LEU A 104 0.886 5.672 -3.872 1.00 0.00 O ATOM 1467 CB LEU A 104 3.551 4.611 -4.648 1.00 0.00 C ATOM 1468 CG LEU A 104 4.201 4.017 -5.898 1.00 0.00 C ATOM 1469 CD1 LEU A 104 5.360 3.110 -5.518 1.00 0.00 C ATOM 1470 CD2 LEU A 104 3.174 3.253 -6.719 1.00 0.00 C ATOM 0 H LEU A 104 4.747 6.775 -3.794 1.00 0.00 H new ATOM 0 HA LEU A 104 2.677 6.191 -5.808 1.00 0.00 H new ATOM 0 HB2 LEU A 104 4.270 4.572 -3.830 1.00 0.00 H new ATOM 0 HB3 LEU A 104 2.708 3.983 -4.362 1.00 0.00 H new ATOM 0 HG LEU A 104 4.590 4.835 -6.505 1.00 0.00 H new ATOM 0 HD11 LEU A 104 5.810 2.697 -6.421 1.00 0.00 H new ATOM 0 HD12 LEU A 104 6.107 3.684 -4.971 1.00 0.00 H new ATOM 0 HD13 LEU A 104 4.995 2.297 -4.890 1.00 0.00 H new ATOM 0 HD21 LEU A 104 3.653 2.837 -7.605 1.00 0.00 H new ATOM 0 HD22 LEU A 104 2.757 2.445 -6.119 1.00 0.00 H new ATOM 0 HD23 LEU A 104 2.375 3.929 -7.023 1.00 0.00 H new ATOM 1482 N ILE A 105 2.140 7.276 -2.921 1.00 0.00 N ATOM 1483 CA ILE A 105 1.130 7.609 -1.933 1.00 0.00 C ATOM 1484 C ILE A 105 0.027 8.464 -2.547 1.00 0.00 C ATOM 1485 O ILE A 105 0.102 9.695 -2.566 1.00 0.00 O ATOM 1486 CB ILE A 105 1.735 8.329 -0.710 1.00 0.00 C ATOM 1487 CG1 ILE A 105 2.791 7.434 -0.055 1.00 0.00 C ATOM 1488 CG2 ILE A 105 0.643 8.694 0.291 1.00 0.00 C ATOM 1489 CD1 ILE A 105 3.279 7.932 1.284 1.00 0.00 C ATOM 0 H ILE A 105 2.995 7.829 -2.860 1.00 0.00 H new ATOM 0 HA ILE A 105 0.700 6.668 -1.590 1.00 0.00 H new ATOM 0 HB ILE A 105 2.211 9.252 -1.041 1.00 0.00 H new ATOM 0 HG12 ILE A 105 2.376 6.434 0.071 1.00 0.00 H new ATOM 0 HG13 ILE A 105 3.643 7.343 -0.729 1.00 0.00 H new ATOM 0 HG21 ILE A 105 1.089 9.201 1.147 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -0.081 9.355 -0.185 1.00 0.00 H new ATOM 0 HG23 ILE A 105 0.140 7.787 0.628 1.00 0.00 H new ATOM 0 HD11 ILE A 105 4.024 7.242 1.679 1.00 0.00 H new ATOM 0 HD12 ILE A 105 3.726 8.919 1.164 1.00 0.00 H new ATOM 0 HD13 ILE A 105 2.440 7.995 1.977 1.00 0.00 H new ATOM 1500 N THR A 106 -1.017 7.797 -2.998 1.00 0.00 N ATOM 1501 CA THR A 106 -2.189 8.462 -3.517 1.00 0.00 C ATOM 1502 C THR A 106 -3.264 8.445 -2.438 1.00 0.00 C ATOM 1503 O THR A 106 -3.960 7.454 -2.262 1.00 0.00 O ATOM 1504 CB THR A 106 -2.683 7.759 -4.803 1.00 0.00 C ATOM 1505 OG1 THR A 106 -1.662 7.829 -5.807 1.00 0.00 O ATOM 1506 CG2 THR A 106 -3.965 8.381 -5.337 1.00 0.00 C ATOM 0 H THR A 106 -1.074 6.779 -3.014 1.00 0.00 H new ATOM 0 HA THR A 106 -1.951 9.493 -3.780 1.00 0.00 H new ATOM 0 HB THR A 106 -2.898 6.720 -4.553 1.00 0.00 H new ATOM 0 HG1 THR A 106 -1.973 7.382 -6.622 1.00 0.00 H new ATOM 0 HG21 THR A 106 -4.275 7.856 -6.240 1.00 0.00 H new ATOM 0 HG22 THR A 106 -4.749 8.302 -4.584 1.00 0.00 H new ATOM 0 HG23 THR A 106 -3.790 9.431 -5.570 1.00 0.00 H new ATOM 1514 N ARG A 107 -3.225 9.441 -1.570 1.00 0.00 N ATOM 1515 CA ARG A 107 -4.069 9.445 -0.383 1.00 0.00 C ATOM 1516 C ARG A 107 -5.373 10.187 -0.635 1.00 0.00 C ATOM 1517 O ARG A 107 -5.397 11.203 -1.333 1.00 0.00 O ATOM 1518 CB ARG A 107 -3.329 10.074 0.801 1.00 0.00 C ATOM 1519 CG ARG A 107 -2.279 11.101 0.403 1.00 0.00 C ATOM 1520 CD ARG A 107 -2.903 12.455 0.118 1.00 0.00 C ATOM 1521 NE ARG A 107 -3.371 13.107 1.335 1.00 0.00 N ATOM 1522 CZ ARG A 107 -2.714 14.086 1.952 1.00 0.00 C ATOM 1523 NH1 ARG A 107 -1.553 14.519 1.477 1.00 0.00 N ATOM 1524 NH2 ARG A 107 -3.220 14.625 3.048 1.00 0.00 N ATOM 0 H ARG A 107 -2.620 10.257 -1.663 1.00 0.00 H new ATOM 0 HA ARG A 107 -4.307 8.409 -0.143 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -4.056 10.550 1.459 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -2.848 9.283 1.377 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -1.544 11.199 1.202 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -1.745 10.752 -0.481 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -2.172 13.094 -0.378 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -3.738 12.332 -0.571 1.00 0.00 H new ATOM 0 HE ARG A 107 -4.255 12.794 1.737 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -1.159 14.101 0.634 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -1.055 15.270 1.955 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -4.110 14.290 3.417 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -2.720 15.376 3.525 1.00 0.00 H new ATOM 1538 N LEU A 108 -6.449 9.686 -0.045 1.00 0.00 N ATOM 1539 CA LEU A 108 -7.754 10.311 -0.179 1.00 0.00 C ATOM 1540 C LEU A 108 -8.492 10.301 1.152 1.00 0.00 C ATOM 1541 O LEU A 108 -9.019 9.272 1.585 1.00 0.00 O ATOM 1542 CB LEU A 108 -8.590 9.595 -1.243 1.00 0.00 C ATOM 1543 CG LEU A 108 -9.128 10.488 -2.365 1.00 0.00 C ATOM 1544 CD1 LEU A 108 -9.847 11.699 -1.792 1.00 0.00 C ATOM 1545 CD2 LEU A 108 -8.000 10.926 -3.286 1.00 0.00 C ATOM 0 H LEU A 108 -6.442 8.845 0.533 1.00 0.00 H new ATOM 0 HA LEU A 108 -7.602 11.345 -0.490 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -7.983 8.807 -1.688 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -9.433 9.109 -0.752 1.00 0.00 H new ATOM 0 HG LEU A 108 -9.845 9.909 -2.947 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -10.221 12.319 -2.607 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -10.682 11.368 -1.175 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -9.154 12.279 -1.183 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -8.401 11.560 -4.077 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -7.259 11.485 -2.714 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -7.530 10.048 -3.728 1.00 0.00 H new ATOM 1557 N GLU A 109 -8.528 11.453 1.793 1.00 0.00 N ATOM 1558 CA GLU A 109 -9.227 11.606 3.058 1.00 0.00 C ATOM 1559 C GLU A 109 -10.612 12.193 2.823 1.00 0.00 C ATOM 1560 O GLU A 109 -10.869 12.796 1.778 1.00 0.00 O ATOM 1561 CB GLU A 109 -8.426 12.505 4.001 1.00 0.00 C ATOM 1562 CG GLU A 109 -7.087 11.913 4.408 1.00 0.00 C ATOM 1563 CD GLU A 109 -5.930 12.487 3.616 1.00 0.00 C ATOM 1564 OE1 GLU A 109 -5.411 13.553 4.008 1.00 0.00 O ATOM 1565 OE2 GLU A 109 -5.534 11.874 2.603 1.00 0.00 O ATOM 0 H GLU A 109 -8.078 12.304 1.457 1.00 0.00 H new ATOM 0 HA GLU A 109 -9.334 10.624 3.520 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -8.257 13.467 3.517 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -9.017 12.697 4.896 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -6.921 12.095 5.470 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -7.115 10.832 4.271 1.00 0.00 H new ATOM 1572 N ASN A 110 -11.504 11.978 3.781 1.00 0.00 N ATOM 1573 CA ASN A 110 -12.879 12.458 3.683 1.00 0.00 C ATOM 1574 C ASN A 110 -12.914 13.970 3.537 1.00 0.00 C ATOM 1575 O ASN A 110 -12.579 14.691 4.475 1.00 0.00 O ATOM 1576 CB ASN A 110 -13.680 12.039 4.916 1.00 0.00 C ATOM 1577 CG ASN A 110 -15.174 12.184 4.709 1.00 0.00 C ATOM 1578 OD1 ASN A 110 -15.820 13.036 5.318 1.00 0.00 O ATOM 1579 ND2 ASN A 110 -15.734 11.346 3.853 1.00 0.00 N ATOM 0 H ASN A 110 -11.299 11.470 4.642 1.00 0.00 H new ATOM 0 HA ASN A 110 -13.329 12.011 2.797 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -13.449 11.003 5.162 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -13.373 12.645 5.769 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -16.738 11.392 3.677 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -15.162 10.654 3.369 1.00 0.00 H new ATOM 1586 N THR A 111 -13.246 14.430 2.330 1.00 0.00 N ATOM 1587 CA THR A 111 -13.280 15.858 1.991 1.00 0.00 C ATOM 1588 C THR A 111 -11.869 16.465 1.904 1.00 0.00 C ATOM 1589 O THR A 111 -11.599 17.289 1.025 1.00 0.00 O ATOM 1590 CB THR A 111 -14.146 16.669 2.983 1.00 0.00 C ATOM 1591 OG1 THR A 111 -15.204 15.846 3.500 1.00 0.00 O ATOM 1592 CG2 THR A 111 -14.746 17.892 2.306 1.00 0.00 C ATOM 0 H THR A 111 -13.501 13.820 1.553 1.00 0.00 H new ATOM 0 HA THR A 111 -13.740 15.923 1.005 1.00 0.00 H new ATOM 0 HB THR A 111 -13.504 16.999 3.800 1.00 0.00 H new ATOM 0 HG1 THR A 111 -16.028 16.373 3.563 1.00 0.00 H new ATOM 0 HG21 THR A 111 -15.351 18.446 3.024 1.00 0.00 H new ATOM 0 HG22 THR A 111 -13.945 18.532 1.936 1.00 0.00 H new ATOM 0 HG23 THR A 111 -15.373 17.576 1.472 1.00 0.00 H new ATOM 1600 N GLN A 112 -10.975 16.017 2.791 1.00 0.00 N ATOM 1601 CA GLN A 112 -9.580 16.460 2.826 1.00 0.00 C ATOM 1602 C GLN A 112 -9.474 17.933 3.205 1.00 0.00 C ATOM 1603 O GLN A 112 -9.339 18.271 4.379 1.00 0.00 O ATOM 1604 CB GLN A 112 -8.887 16.196 1.483 1.00 0.00 C ATOM 1605 CG GLN A 112 -8.058 14.924 1.474 1.00 0.00 C ATOM 1606 CD GLN A 112 -6.933 14.963 0.463 1.00 0.00 C ATOM 1607 OE1 GLN A 112 -6.899 14.165 -0.473 1.00 0.00 O ATOM 1608 NE2 GLN A 112 -6.003 15.888 0.647 1.00 0.00 N ATOM 0 H GLN A 112 -11.202 15.331 3.511 1.00 0.00 H new ATOM 0 HA GLN A 112 -9.070 15.879 3.595 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -9.641 16.135 0.699 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -8.244 17.042 1.242 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -7.641 14.761 2.468 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -8.706 14.075 1.257 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -6.071 16.529 1.437 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -5.219 15.959 -0.001 1.00 0.00 H new ATOM 1617 N PHE A 113 -9.595 18.804 2.216 1.00 0.00 N ATOM 1618 CA PHE A 113 -9.572 20.240 2.452 1.00 0.00 C ATOM 1619 C PHE A 113 -10.883 20.671 3.090 1.00 0.00 C ATOM 1620 O PHE A 113 -11.946 20.536 2.478 1.00 0.00 O ATOM 1621 CB PHE A 113 -9.339 20.993 1.138 1.00 0.00 C ATOM 1622 CG PHE A 113 -8.371 20.302 0.220 1.00 0.00 C ATOM 1623 CD1 PHE A 113 -7.010 20.344 0.472 1.00 0.00 C ATOM 1624 CD2 PHE A 113 -8.824 19.605 -0.888 1.00 0.00 C ATOM 1625 CE1 PHE A 113 -6.117 19.703 -0.364 1.00 0.00 C ATOM 1626 CE2 PHE A 113 -7.935 18.963 -1.727 1.00 0.00 C ATOM 1627 CZ PHE A 113 -6.581 19.012 -1.465 1.00 0.00 C ATOM 0 H PHE A 113 -9.711 18.541 1.237 1.00 0.00 H new ATOM 0 HA PHE A 113 -8.752 20.479 3.129 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -10.292 21.116 0.624 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -8.967 21.993 1.361 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -6.643 20.884 1.332 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -9.883 19.563 -1.098 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -5.058 19.742 -0.157 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -8.299 18.423 -2.588 1.00 0.00 H new ATOM 0 HZ PHE A 113 -5.885 18.510 -2.121 1.00 0.00 H new ATOM 1637 N ASP A 114 -10.807 21.040 4.366 1.00 0.00 N ATOM 1638 CA ASP A 114 -11.993 21.334 5.170 1.00 0.00 C ATOM 1639 C ASP A 114 -12.856 20.082 5.285 1.00 0.00 C ATOM 1640 O ASP A 114 -13.945 20.002 4.713 1.00 0.00 O ATOM 1641 CB ASP A 114 -12.799 22.495 4.578 1.00 0.00 C ATOM 1642 CG ASP A 114 -13.951 22.924 5.468 1.00 0.00 C ATOM 1643 OD1 ASP A 114 -13.798 22.896 6.707 1.00 0.00 O ATOM 1644 OD2 ASP A 114 -15.013 23.305 4.928 1.00 0.00 O ATOM 0 H ASP A 114 -9.927 21.144 4.871 1.00 0.00 H new ATOM 0 HA ASP A 114 -11.668 21.639 6.165 1.00 0.00 H new ATOM 0 HB2 ASP A 114 -12.137 23.345 4.414 1.00 0.00 H new ATOM 0 HB3 ASP A 114 -13.189 22.201 3.603 1.00 0.00 H new ATOM 1649 N ALA A 115 -12.286 19.061 5.910 1.00 0.00 N ATOM 1650 CA ALA A 115 -12.925 17.757 6.011 1.00 0.00 C ATOM 1651 C ALA A 115 -14.238 17.832 6.779 1.00 0.00 C ATOM 1652 O ALA A 115 -14.297 18.393 7.875 1.00 0.00 O ATOM 1653 CB ALA A 115 -11.983 16.767 6.680 1.00 0.00 C ATOM 0 H ALA A 115 -11.372 19.113 6.359 1.00 0.00 H new ATOM 0 HA ALA A 115 -13.151 17.417 5.000 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -12.469 15.794 6.752 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -11.072 16.675 6.089 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -11.732 17.122 7.680 1.00 0.00 H new ATOM 1659 N ALA A 116 -15.274 17.217 6.224 1.00 0.00 N ATOM 1660 CA ALA A 116 -16.561 17.139 6.899 1.00 0.00 C ATOM 1661 C ALA A 116 -16.513 16.047 7.956 1.00 0.00 C ATOM 1662 O ALA A 116 -16.891 16.265 9.107 1.00 0.00 O ATOM 1663 CB ALA A 116 -17.673 16.870 5.898 1.00 0.00 C ATOM 0 H ALA A 116 -15.248 16.766 5.310 1.00 0.00 H new ATOM 0 HA ALA A 116 -16.770 18.093 7.383 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -18.628 16.815 6.421 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -17.706 17.677 5.166 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -17.483 15.925 5.389 1.00 0.00 H new ATOM 1669 N ASN A 117 -15.946 14.904 7.565 1.00 0.00 N ATOM 1670 CA ASN A 117 -15.721 13.775 8.469 1.00 0.00 C ATOM 1671 C ASN A 117 -17.019 13.300 9.112 1.00 0.00 C ATOM 1672 O ASN A 117 -17.043 12.907 10.279 1.00 0.00 O ATOM 1673 CB ASN A 117 -14.698 14.138 9.546 1.00 0.00 C ATOM 1674 CG ASN A 117 -13.991 12.918 10.105 1.00 0.00 C ATOM 1675 OD1 ASN A 117 -14.049 11.831 9.528 1.00 0.00 O ATOM 1676 ND2 ASN A 117 -13.321 13.089 11.231 1.00 0.00 N ATOM 0 H ASN A 117 -15.629 14.735 6.610 1.00 0.00 H new ATOM 0 HA ASN A 117 -15.325 12.954 7.870 1.00 0.00 H new ATOM 0 HB2 ASN A 117 -13.960 14.822 9.127 1.00 0.00 H new ATOM 0 HB3 ASN A 117 -15.199 14.667 10.356 1.00 0.00 H new ATOM 0 HD21 ASN A 117 -12.826 12.304 11.654 1.00 0.00 H new ATOM 0 HD22 ASN A 117 -13.298 14.006 11.677 1.00 0.00 H new ATOM 1683 N GLY A 118 -18.074 13.244 8.318 1.00 0.00 N ATOM 1684 CA GLY A 118 -19.338 12.735 8.808 1.00 0.00 C ATOM 1685 C GLY A 118 -19.509 11.267 8.485 1.00 0.00 C ATOM 1686 O GLY A 118 -20.487 10.881 7.839 1.00 0.00 O ATOM 0 H GLY A 118 -18.079 13.542 7.342 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -19.396 12.880 9.887 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -20.156 13.303 8.366 1.00 0.00 H new ATOM 1690 N ILE A 119 -18.500 10.472 8.853 1.00 0.00 N ATOM 1691 CA ILE A 119 -18.446 9.040 8.537 1.00 0.00 C ATOM 1692 C ILE A 119 -18.155 8.822 7.050 1.00 0.00 C ATOM 1693 O ILE A 119 -17.094 8.318 6.690 1.00 0.00 O ATOM 1694 CB ILE A 119 -19.738 8.290 8.942 1.00 0.00 C ATOM 1695 CG1 ILE A 119 -20.021 8.486 10.433 1.00 0.00 C ATOM 1696 CG2 ILE A 119 -19.616 6.808 8.621 1.00 0.00 C ATOM 1697 CD1 ILE A 119 -21.490 8.653 10.753 1.00 0.00 C ATOM 0 H ILE A 119 -17.693 10.805 9.381 1.00 0.00 H new ATOM 0 HA ILE A 119 -17.631 8.623 9.128 1.00 0.00 H new ATOM 0 HB ILE A 119 -20.570 8.702 8.370 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -19.633 7.629 10.984 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -19.479 9.364 10.785 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -20.533 6.296 8.912 1.00 0.00 H new ATOM 0 HG22 ILE A 119 -19.453 6.680 7.551 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -18.774 6.385 9.170 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -21.615 8.787 11.827 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -21.879 9.527 10.230 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -22.035 7.765 10.432 1.00 0.00 H new ATOM 1708 N ASP A 120 -19.029 9.325 6.194 1.00 0.00 N ATOM 1709 CA ASP A 120 -18.789 9.298 4.759 1.00 0.00 C ATOM 1710 C ASP A 120 -18.958 10.697 4.184 1.00 0.00 C ATOM 1711 O ASP A 120 -19.373 11.619 4.890 1.00 0.00 O ATOM 1712 CB ASP A 120 -19.736 8.319 4.060 1.00 0.00 C ATOM 1713 CG ASP A 120 -19.121 7.699 2.818 1.00 0.00 C ATOM 1714 OD1 ASP A 120 -18.147 8.268 2.274 1.00 0.00 O ATOM 1715 OD2 ASP A 120 -19.615 6.641 2.374 1.00 0.00 O ATOM 0 H ASP A 120 -19.912 9.757 6.467 1.00 0.00 H new ATOM 0 HA ASP A 120 -17.768 8.958 4.586 1.00 0.00 H new ATOM 0 HB2 ASP A 120 -20.014 7.528 4.757 1.00 0.00 H new ATOM 0 HB3 ASP A 120 -20.653 8.840 3.786 1.00 0.00 H new ATOM 1720 N ASP A 121 -18.605 10.858 2.919 1.00 0.00 N ATOM 1721 CA ASP A 121 -18.683 12.154 2.255 1.00 0.00 C ATOM 1722 C ASP A 121 -20.105 12.431 1.777 1.00 0.00 C ATOM 1723 O ASP A 121 -20.505 12.006 0.691 1.00 0.00 O ATOM 1724 CB ASP A 121 -17.710 12.203 1.075 1.00 0.00 C ATOM 1725 CG ASP A 121 -17.035 13.553 0.932 1.00 0.00 C ATOM 1726 OD1 ASP A 121 -17.721 14.531 0.571 1.00 0.00 O ATOM 1727 OD2 ASP A 121 -15.811 13.641 1.170 1.00 0.00 O ATOM 0 H ASP A 121 -18.259 10.103 2.326 1.00 0.00 H new ATOM 0 HA ASP A 121 -18.406 12.925 2.974 1.00 0.00 H new ATOM 0 HB2 ASP A 121 -16.950 11.433 1.203 1.00 0.00 H new ATOM 0 HB3 ASP A 121 -18.247 11.970 0.156 1.00 0.00 H new ATOM 1732 N GLU A 122 -20.881 13.090 2.620 1.00 0.00 N ATOM 1733 CA GLU A 122 -22.271 13.385 2.317 1.00 0.00 C ATOM 1734 C GLU A 122 -22.420 14.828 1.848 1.00 0.00 C ATOM 1735 O GLU A 122 -21.494 15.334 1.179 1.00 0.00 O ATOM 1736 CB GLU A 122 -23.141 13.140 3.551 1.00 0.00 C ATOM 1737 CG GLU A 122 -24.515 12.575 3.231 1.00 0.00 C ATOM 1738 CD GLU A 122 -24.446 11.259 2.489 1.00 0.00 C ATOM 1739 OE1 GLU A 122 -23.900 10.287 3.049 1.00 0.00 O ATOM 1740 OE2 GLU A 122 -24.935 11.189 1.343 1.00 0.00 O ATOM 1741 OXT GLU A 122 -23.456 15.453 2.149 1.00 0.00 O ATOM 0 H GLU A 122 -20.568 13.434 3.528 1.00 0.00 H new ATOM 0 HA GLU A 122 -22.600 12.724 1.515 1.00 0.00 H new ATOM 0 HB2 GLU A 122 -22.622 12.452 4.219 1.00 0.00 H new ATOM 0 HB3 GLU A 122 -23.261 14.079 4.091 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -25.071 12.436 4.158 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -25.070 13.297 2.632 1.00 0.00 H new TER 1748 GLU A 122 HETATM 1749 ZN ZN A 123 -5.232 -1.736 6.985 1.00 0.00 ZN HETATM 1750 ZN ZN A 124 12.127 2.185 6.879 1.00 0.00 ZN