USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 731 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 55 HIS :FLIP no HE2:sc= -2.53 F(o=-3.9!,f=-3.2) USER MOD Set 1.2: A 57 GLN : amide:sc= -0.663 K(o=-3.2,f=-6.7!) USER MOD Set 2.1: A 46 HIS : no HE2:sc= 0.219 K(o=0.22,f=-5.9!) USER MOD Set 2.2: A 51 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 25 LYS NZ :NH3+ -124:sc= 0.978 (180deg=-0.0161) USER MOD Set 3.2: A 49 GLN : amide:sc= -2.92! K(o=-1.9!,f=-2.7) USER MOD Single : A 1 PHE N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot -38:sc= 0.688 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot -33:sc= 1.12 USER MOD Single : A 12 GLN :FLIP amide:sc= -1.17 F(o=-2.7,f=-1.2) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 172:sc=-0.00923 (180deg=-0.138) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -163:sc= -0.0384 (180deg=-0.306) USER MOD Single : A 28 GLN : amide:sc= -0.288 X(o=-0.29,f=-0.043) USER MOD Single : A 32 GLN : amide:sc= 1.35 K(o=1.3,f=-11!) USER MOD Single : A 39 HIS : no HD1:sc= -0.16 X(o=-0.16,f=-0.15) USER MOD Single : A 41 GLN : amide:sc= -0.0286 K(o=-0.029,f=-1.1) USER MOD Single : A 58 ASN : amide:sc= -1.06 K(o=-1.1,f=-7.1!) USER MOD Single : A 60 SER OG : rot -115:sc= -0.636 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 GLN :FLIP amide:sc= 0 F(o=-0.53,f=0) USER MOD Single : A 67 HIS : no HD1:sc= -0.0591 X(o=-0.059,f=-0.021) USER MOD Single : A 68 GLN : amide:sc= -2.99! C(o=-3!,f=-2.8!) USER MOD Single : A 71 LYS NZ :NH3+ 167:sc= 1.23 (180deg=0.863) USER MOD Single : A 73 HIS : no HD1:sc= -0.542 X(o=-0.54,f=-0.075) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.0287 USER MOD Single : A 78 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0272) USER MOD Single : A 80 ASN : amide:sc= -0.0365 X(o=-0.036,f=0.3) USER MOD Single : A 83 MET CE :methyl -128:sc= -0.596 (180deg=-2.73!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 MET CE :methyl 156:sc= -1.14 (180deg=-1.83!) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 9.161 -11.771 -0.826 1.00 0.00 N ATOM 2 CA PHE A 1 9.936 -10.858 0.045 1.00 0.00 C ATOM 3 C PHE A 1 9.006 -10.117 0.991 1.00 0.00 C ATOM 4 O PHE A 1 8.262 -9.232 0.577 1.00 0.00 O ATOM 5 CB PHE A 1 10.722 -9.855 -0.807 1.00 0.00 C ATOM 6 CG PHE A 1 11.795 -9.114 -0.051 1.00 0.00 C ATOM 7 CD1 PHE A 1 11.477 -8.041 0.764 1.00 0.00 C ATOM 8 CD2 PHE A 1 13.123 -9.493 -0.162 1.00 0.00 C ATOM 9 CE1 PHE A 1 12.460 -7.361 1.455 1.00 0.00 C ATOM 10 CE2 PHE A 1 14.112 -8.816 0.526 1.00 0.00 C ATOM 11 CZ PHE A 1 13.779 -7.749 1.336 1.00 0.00 C ATOM 0 H1 PHE A 1 9.809 -12.271 -1.468 1.00 0.00 H new ATOM 0 H2 PHE A 1 8.652 -12.463 -0.239 1.00 0.00 H new ATOM 0 H3 PHE A 1 8.477 -11.221 -1.384 1.00 0.00 H new ATOM 0 HA PHE A 1 10.638 -11.450 0.633 1.00 0.00 H new ATOM 0 HB2 PHE A 1 11.181 -10.385 -1.642 1.00 0.00 H new ATOM 0 HB3 PHE A 1 10.026 -9.132 -1.232 1.00 0.00 H new ATOM 0 HD1 PHE A 1 10.447 -7.732 0.860 1.00 0.00 H new ATOM 0 HD2 PHE A 1 13.389 -10.328 -0.794 1.00 0.00 H new ATOM 0 HE1 PHE A 1 12.197 -6.526 2.088 1.00 0.00 H new ATOM 0 HE2 PHE A 1 15.144 -9.121 0.430 1.00 0.00 H new ATOM 0 HZ PHE A 1 14.550 -7.219 1.876 1.00 0.00 H new ATOM 23 N LEU A 2 9.033 -10.508 2.254 1.00 0.00 N ATOM 24 CA LEU A 2 8.315 -9.788 3.293 1.00 0.00 C ATOM 25 C LEU A 2 9.076 -8.525 3.657 1.00 0.00 C ATOM 26 O LEU A 2 10.166 -8.597 4.221 1.00 0.00 O ATOM 27 CB LEU A 2 8.136 -10.681 4.532 1.00 0.00 C ATOM 28 CG LEU A 2 7.839 -9.954 5.854 1.00 0.00 C ATOM 29 CD1 LEU A 2 6.515 -9.211 5.797 1.00 0.00 C ATOM 30 CD2 LEU A 2 7.843 -10.939 7.014 1.00 0.00 C ATOM 0 H LEU A 2 9.547 -11.324 2.586 1.00 0.00 H new ATOM 0 HA LEU A 2 7.328 -9.513 2.921 1.00 0.00 H new ATOM 0 HB2 LEU A 2 7.324 -11.381 4.336 1.00 0.00 H new ATOM 0 HB3 LEU A 2 9.042 -11.273 4.662 1.00 0.00 H new ATOM 0 HG LEU A 2 8.627 -9.218 6.011 1.00 0.00 H new ATOM 0 HD11 LEU A 2 6.338 -8.709 6.748 1.00 0.00 H new ATOM 0 HD12 LEU A 2 6.547 -8.471 4.997 1.00 0.00 H new ATOM 0 HD13 LEU A 2 5.709 -9.919 5.605 1.00 0.00 H new ATOM 0 HD21 LEU A 2 7.631 -10.409 7.942 1.00 0.00 H new ATOM 0 HD22 LEU A 2 7.080 -11.699 6.848 1.00 0.00 H new ATOM 0 HD23 LEU A 2 8.821 -11.415 7.083 1.00 0.00 H new ATOM 42 N LEU A 3 8.523 -7.379 3.287 1.00 0.00 N ATOM 43 CA LEU A 3 9.086 -6.099 3.692 1.00 0.00 C ATOM 44 C LEU A 3 8.944 -5.924 5.199 1.00 0.00 C ATOM 45 O LEU A 3 7.829 -5.823 5.719 1.00 0.00 O ATOM 46 CB LEU A 3 8.410 -4.936 2.951 1.00 0.00 C ATOM 47 CG LEU A 3 9.027 -4.556 1.595 1.00 0.00 C ATOM 48 CD1 LEU A 3 10.471 -4.115 1.772 1.00 0.00 C ATOM 49 CD2 LEU A 3 8.940 -5.710 0.606 1.00 0.00 C ATOM 0 H LEU A 3 7.686 -7.309 2.708 1.00 0.00 H new ATOM 0 HA LEU A 3 10.144 -6.091 3.429 1.00 0.00 H new ATOM 0 HB2 LEU A 3 7.362 -5.191 2.793 1.00 0.00 H new ATOM 0 HB3 LEU A 3 8.430 -4.058 3.597 1.00 0.00 H new ATOM 0 HG LEU A 3 8.454 -3.722 1.189 1.00 0.00 H new ATOM 0 HD11 LEU A 3 10.892 -3.850 0.802 1.00 0.00 H new ATOM 0 HD12 LEU A 3 10.509 -3.249 2.433 1.00 0.00 H new ATOM 0 HD13 LEU A 3 11.049 -4.930 2.208 1.00 0.00 H new ATOM 0 HD21 LEU A 3 9.385 -5.410 -0.343 1.00 0.00 H new ATOM 0 HD22 LEU A 3 9.478 -6.571 1.003 1.00 0.00 H new ATOM 0 HD23 LEU A 3 7.895 -5.977 0.449 1.00 0.00 H new ATOM 61 N PRO A 4 10.076 -5.927 5.917 1.00 0.00 N ATOM 62 CA PRO A 4 10.097 -5.801 7.378 1.00 0.00 C ATOM 63 C PRO A 4 9.396 -4.534 7.869 1.00 0.00 C ATOM 64 O PRO A 4 9.667 -3.432 7.382 1.00 0.00 O ATOM 65 CB PRO A 4 11.591 -5.751 7.715 1.00 0.00 C ATOM 66 CG PRO A 4 12.268 -6.397 6.558 1.00 0.00 C ATOM 67 CD PRO A 4 11.431 -6.066 5.355 1.00 0.00 C ATOM 0 HA PRO A 4 9.565 -6.622 7.860 1.00 0.00 H new ATOM 0 HB2 PRO A 4 11.931 -4.724 7.849 1.00 0.00 H new ATOM 0 HB3 PRO A 4 11.804 -6.281 8.643 1.00 0.00 H new ATOM 0 HG2 PRO A 4 13.285 -6.023 6.441 1.00 0.00 H new ATOM 0 HG3 PRO A 4 12.340 -7.475 6.699 1.00 0.00 H new ATOM 0 HD2 PRO A 4 11.764 -5.146 4.873 1.00 0.00 H new ATOM 0 HD3 PRO A 4 11.477 -6.854 4.603 1.00 0.00 H new ATOM 75 N PRO A 5 8.483 -4.678 8.843 1.00 0.00 N ATOM 76 CA PRO A 5 7.716 -3.556 9.389 1.00 0.00 C ATOM 77 C PRO A 5 8.615 -2.488 10.008 1.00 0.00 C ATOM 78 O PRO A 5 9.511 -2.802 10.796 1.00 0.00 O ATOM 79 CB PRO A 5 6.832 -4.205 10.463 1.00 0.00 C ATOM 80 CG PRO A 5 6.791 -5.649 10.106 1.00 0.00 C ATOM 81 CD PRO A 5 8.120 -5.954 9.482 1.00 0.00 C ATOM 0 HA PRO A 5 7.149 -3.039 8.615 1.00 0.00 H new ATOM 0 HB2 PRO A 5 7.248 -4.056 11.459 1.00 0.00 H new ATOM 0 HB3 PRO A 5 5.832 -3.771 10.467 1.00 0.00 H new ATOM 0 HG2 PRO A 5 6.623 -6.265 10.989 1.00 0.00 H new ATOM 0 HG3 PRO A 5 5.976 -5.857 9.412 1.00 0.00 H new ATOM 0 HD2 PRO A 5 8.856 -6.257 10.227 1.00 0.00 H new ATOM 0 HD3 PRO A 5 8.049 -6.764 8.756 1.00 0.00 H new ATOM 89 N SER A 6 8.375 -1.236 9.615 1.00 0.00 N ATOM 90 CA SER A 6 9.134 -0.085 10.107 1.00 0.00 C ATOM 91 C SER A 6 10.561 -0.089 9.553 1.00 0.00 C ATOM 92 O SER A 6 11.418 0.675 10.003 1.00 0.00 O ATOM 93 CB SER A 6 9.146 -0.051 11.643 1.00 0.00 C ATOM 94 OG SER A 6 9.752 1.135 12.135 1.00 0.00 O ATOM 0 H SER A 6 7.647 -0.991 8.944 1.00 0.00 H new ATOM 0 HA SER A 6 8.638 0.818 9.752 1.00 0.00 H new ATOM 0 HB2 SER A 6 8.125 -0.120 12.017 1.00 0.00 H new ATOM 0 HB3 SER A 6 9.684 -0.920 12.023 1.00 0.00 H new ATOM 0 HG SER A 6 10.520 1.368 11.572 1.00 0.00 H new ATOM 100 N THR A 7 10.808 -0.944 8.573 1.00 0.00 N ATOM 101 CA THR A 7 12.086 -0.970 7.890 1.00 0.00 C ATOM 102 C THR A 7 11.861 -0.820 6.386 1.00 0.00 C ATOM 103 O THR A 7 11.822 -1.802 5.642 1.00 0.00 O ATOM 104 CB THR A 7 12.857 -2.273 8.199 1.00 0.00 C ATOM 105 OG1 THR A 7 12.986 -2.435 9.623 1.00 0.00 O ATOM 106 CG2 THR A 7 14.241 -2.256 7.570 1.00 0.00 C ATOM 0 H THR A 7 10.135 -1.631 8.234 1.00 0.00 H new ATOM 0 HA THR A 7 12.692 -0.138 8.248 1.00 0.00 H new ATOM 0 HB THR A 7 12.295 -3.106 7.777 1.00 0.00 H new ATOM 0 HG1 THR A 7 13.474 -3.263 9.815 1.00 0.00 H new ATOM 0 HG21 THR A 7 14.759 -3.186 7.805 1.00 0.00 H new ATOM 0 HG22 THR A 7 14.148 -2.156 6.489 1.00 0.00 H new ATOM 0 HG23 THR A 7 14.810 -1.414 7.965 1.00 0.00 H new ATOM 114 N ALA A 8 11.672 0.418 5.949 1.00 0.00 N ATOM 115 CA ALA A 8 11.328 0.688 4.567 1.00 0.00 C ATOM 116 C ALA A 8 12.368 1.562 3.880 1.00 0.00 C ATOM 117 O ALA A 8 12.289 2.789 3.899 1.00 0.00 O ATOM 118 CB ALA A 8 9.954 1.332 4.482 1.00 0.00 C ATOM 0 H ALA A 8 11.752 1.249 6.535 1.00 0.00 H new ATOM 0 HA ALA A 8 11.309 -0.267 4.042 1.00 0.00 H new ATOM 0 HB1 ALA A 8 9.709 1.529 3.438 1.00 0.00 H new ATOM 0 HB2 ALA A 8 9.210 0.660 4.909 1.00 0.00 H new ATOM 0 HB3 ALA A 8 9.957 2.270 5.038 1.00 0.00 H new ATOM 124 N CYS A 9 13.374 0.916 3.324 1.00 0.00 N ATOM 125 CA CYS A 9 14.296 1.559 2.398 1.00 0.00 C ATOM 126 C CYS A 9 14.419 0.638 1.193 1.00 0.00 C ATOM 127 O CYS A 9 15.512 0.287 0.743 1.00 0.00 O ATOM 128 CB CYS A 9 15.655 1.819 3.057 1.00 0.00 C ATOM 129 SG CYS A 9 16.635 3.172 2.306 1.00 0.00 S ATOM 0 H CYS A 9 13.578 -0.068 3.499 1.00 0.00 H new ATOM 0 HA CYS A 9 13.923 2.537 2.093 1.00 0.00 H new ATOM 0 HB2 CYS A 9 15.493 2.050 4.110 1.00 0.00 H new ATOM 0 HB3 CYS A 9 16.242 0.901 3.018 1.00 0.00 H new ATOM 134 N CYS A 10 13.245 0.251 0.704 1.00 0.00 N ATOM 135 CA CYS A 10 13.083 -0.746 -0.343 1.00 0.00 C ATOM 136 C CYS A 10 13.902 -0.424 -1.586 1.00 0.00 C ATOM 137 O CYS A 10 13.958 0.723 -2.029 1.00 0.00 O ATOM 138 CB CYS A 10 11.599 -0.838 -0.702 1.00 0.00 C ATOM 139 SG CYS A 10 11.213 -1.976 -2.066 1.00 0.00 S ATOM 0 H CYS A 10 12.359 0.633 1.035 1.00 0.00 H new ATOM 0 HA CYS A 10 13.449 -1.701 0.035 1.00 0.00 H new ATOM 0 HB2 CYS A 10 11.045 -1.152 0.182 1.00 0.00 H new ATOM 0 HB3 CYS A 10 11.241 0.157 -0.966 1.00 0.00 H new ATOM 144 N THR A 11 14.536 -1.452 -2.135 1.00 0.00 N ATOM 145 CA THR A 11 15.322 -1.306 -3.346 1.00 0.00 C ATOM 146 C THR A 11 14.952 -2.388 -4.370 1.00 0.00 C ATOM 147 O THR A 11 15.665 -2.611 -5.350 1.00 0.00 O ATOM 148 CB THR A 11 16.837 -1.348 -3.017 1.00 0.00 C ATOM 149 OG1 THR A 11 17.627 -1.246 -4.210 1.00 0.00 O ATOM 150 CG2 THR A 11 17.192 -2.623 -2.268 1.00 0.00 C ATOM 0 H THR A 11 14.519 -2.399 -1.756 1.00 0.00 H new ATOM 0 HA THR A 11 15.096 -0.336 -3.788 1.00 0.00 H new ATOM 0 HB THR A 11 17.060 -0.492 -2.380 1.00 0.00 H new ATOM 0 HG1 THR A 11 17.158 -1.682 -4.951 1.00 0.00 H new ATOM 0 HG21 THR A 11 18.260 -2.630 -2.048 1.00 0.00 H new ATOM 0 HG22 THR A 11 16.629 -2.666 -1.336 1.00 0.00 H new ATOM 0 HG23 THR A 11 16.942 -3.488 -2.883 1.00 0.00 H new ATOM 158 N GLN A 12 13.814 -3.042 -4.153 1.00 0.00 N ATOM 159 CA GLN A 12 13.321 -4.043 -5.093 1.00 0.00 C ATOM 160 C GLN A 12 11.801 -3.965 -5.229 1.00 0.00 C ATOM 161 O GLN A 12 11.051 -4.525 -4.432 1.00 0.00 O ATOM 162 CB GLN A 12 13.791 -5.470 -4.734 1.00 0.00 C ATOM 163 CG GLN A 12 14.015 -5.755 -3.247 1.00 0.00 C ATOM 164 CD GLN A 12 12.737 -5.791 -2.441 1.00 0.00 C ATOM 165 OE1 GLN A 12 12.398 -4.673 -1.829 1.00 0.00 O flip ATOM 166 NE2 GLN A 12 12.082 -6.826 -2.339 1.00 0.00 N flip ATOM 0 H GLN A 12 13.218 -2.897 -3.338 1.00 0.00 H new ATOM 0 HA GLN A 12 13.756 -3.813 -6.065 1.00 0.00 H new ATOM 0 HB2 GLN A 12 13.053 -6.178 -5.111 1.00 0.00 H new ATOM 0 HB3 GLN A 12 14.723 -5.667 -5.265 1.00 0.00 H new ATOM 0 HG2 GLN A 12 14.529 -6.711 -3.142 1.00 0.00 H new ATOM 0 HG3 GLN A 12 14.674 -4.991 -2.834 1.00 0.00 H new ATOM 0 HE21 GLN A 12 12.380 -7.669 -2.830 1.00 0.00 H new ATOM 0 HE22 GLN A 12 11.240 -6.842 -1.763 1.00 0.00 H new ATOM 175 N LEU A 13 11.359 -3.239 -6.243 1.00 0.00 N ATOM 176 CA LEU A 13 9.939 -3.004 -6.464 1.00 0.00 C ATOM 177 C LEU A 13 9.300 -4.173 -7.211 1.00 0.00 C ATOM 178 O LEU A 13 9.859 -4.684 -8.184 1.00 0.00 O ATOM 179 CB LEU A 13 9.753 -1.696 -7.237 1.00 0.00 C ATOM 180 CG LEU A 13 10.399 -0.470 -6.579 1.00 0.00 C ATOM 181 CD1 LEU A 13 10.368 0.730 -7.507 1.00 0.00 C ATOM 182 CD2 LEU A 13 9.696 -0.130 -5.277 1.00 0.00 C ATOM 0 H LEU A 13 11.968 -2.798 -6.932 1.00 0.00 H new ATOM 0 HA LEU A 13 9.440 -2.921 -5.498 1.00 0.00 H new ATOM 0 HB2 LEU A 13 10.169 -1.817 -8.237 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.686 -1.508 -7.357 1.00 0.00 H new ATOM 0 HG LEU A 13 11.439 -0.718 -6.369 1.00 0.00 H new ATOM 0 HD11 LEU A 13 10.833 1.584 -7.014 1.00 0.00 H new ATOM 0 HD12 LEU A 13 10.915 0.497 -8.421 1.00 0.00 H new ATOM 0 HD13 LEU A 13 9.334 0.972 -7.754 1.00 0.00 H new ATOM 0 HD21 LEU A 13 10.169 0.742 -4.825 1.00 0.00 H new ATOM 0 HD22 LEU A 13 8.647 0.088 -5.476 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.767 -0.976 -4.593 1.00 0.00 H new ATOM 194 N TYR A 14 8.129 -4.587 -6.740 1.00 0.00 N ATOM 195 CA TYR A 14 7.426 -5.739 -7.295 1.00 0.00 C ATOM 196 C TYR A 14 7.045 -5.496 -8.755 1.00 0.00 C ATOM 197 O TYR A 14 7.258 -6.363 -9.603 1.00 0.00 O ATOM 198 CB TYR A 14 6.173 -6.019 -6.461 1.00 0.00 C ATOM 199 CG TYR A 14 5.684 -7.447 -6.524 1.00 0.00 C ATOM 200 CD1 TYR A 14 6.322 -8.447 -5.800 1.00 0.00 C ATOM 201 CD2 TYR A 14 4.576 -7.793 -7.284 1.00 0.00 C ATOM 202 CE1 TYR A 14 5.872 -9.752 -5.837 1.00 0.00 C ATOM 203 CE2 TYR A 14 4.119 -9.096 -7.322 1.00 0.00 C ATOM 204 CZ TYR A 14 4.769 -10.071 -6.597 1.00 0.00 C ATOM 205 OH TYR A 14 4.311 -11.368 -6.628 1.00 0.00 O ATOM 0 H TYR A 14 7.641 -4.136 -5.966 1.00 0.00 H new ATOM 0 HA TYR A 14 8.088 -6.604 -7.261 1.00 0.00 H new ATOM 0 HB2 TYR A 14 6.380 -5.765 -5.421 1.00 0.00 H new ATOM 0 HB3 TYR A 14 5.373 -5.359 -6.798 1.00 0.00 H new ATOM 0 HD1 TYR A 14 7.184 -8.199 -5.198 1.00 0.00 H new ATOM 0 HD2 TYR A 14 4.063 -7.032 -7.854 1.00 0.00 H new ATOM 0 HE1 TYR A 14 6.383 -10.518 -5.273 1.00 0.00 H new ATOM 0 HE2 TYR A 14 3.255 -9.350 -7.918 1.00 0.00 H new ATOM 0 HH TYR A 14 3.525 -11.423 -7.210 1.00 0.00 H new ATOM 215 N ARG A 15 6.482 -4.313 -9.026 1.00 0.00 N ATOM 216 CA ARG A 15 6.093 -3.884 -10.383 1.00 0.00 C ATOM 217 C ARG A 15 4.820 -4.578 -10.874 1.00 0.00 C ATOM 218 O ARG A 15 3.949 -3.936 -11.460 1.00 0.00 O ATOM 219 CB ARG A 15 7.220 -4.105 -11.400 1.00 0.00 C ATOM 220 CG ARG A 15 8.462 -3.264 -11.148 1.00 0.00 C ATOM 221 CD ARG A 15 9.509 -3.507 -12.221 1.00 0.00 C ATOM 222 NE ARG A 15 10.741 -2.761 -11.973 1.00 0.00 N ATOM 223 CZ ARG A 15 11.845 -2.881 -12.707 1.00 0.00 C ATOM 224 NH1 ARG A 15 11.868 -3.697 -13.750 1.00 0.00 N ATOM 225 NH2 ARG A 15 12.923 -2.169 -12.399 1.00 0.00 N ATOM 0 H ARG A 15 6.280 -3.618 -8.307 1.00 0.00 H new ATOM 0 HA ARG A 15 5.892 -2.815 -10.306 1.00 0.00 H new ATOM 0 HB2 ARG A 15 7.500 -5.158 -11.391 1.00 0.00 H new ATOM 0 HB3 ARG A 15 6.842 -3.884 -12.398 1.00 0.00 H new ATOM 0 HG2 ARG A 15 8.193 -2.208 -11.129 1.00 0.00 H new ATOM 0 HG3 ARG A 15 8.876 -3.505 -10.169 1.00 0.00 H new ATOM 0 HD2 ARG A 15 9.735 -4.572 -12.270 1.00 0.00 H new ATOM 0 HD3 ARG A 15 9.104 -3.222 -13.192 1.00 0.00 H new ATOM 0 HE ARG A 15 10.756 -2.108 -11.189 1.00 0.00 H new ATOM 0 HH11 ARG A 15 11.037 -4.237 -13.994 1.00 0.00 H new ATOM 0 HH12 ARG A 15 12.716 -3.786 -14.310 1.00 0.00 H new ATOM 0 HH21 ARG A 15 12.903 -1.533 -11.602 1.00 0.00 H new ATOM 0 HH22 ARG A 15 13.771 -2.259 -12.959 1.00 0.00 H new ATOM 239 N LYS A 16 4.730 -5.886 -10.657 1.00 0.00 N ATOM 240 CA LYS A 16 3.579 -6.669 -11.106 1.00 0.00 C ATOM 241 C LYS A 16 2.299 -6.217 -10.407 1.00 0.00 C ATOM 242 O LYS A 16 2.264 -6.093 -9.182 1.00 0.00 O ATOM 243 CB LYS A 16 3.794 -8.170 -10.848 1.00 0.00 C ATOM 244 CG LYS A 16 4.778 -8.854 -11.793 1.00 0.00 C ATOM 245 CD LYS A 16 6.206 -8.383 -11.577 1.00 0.00 C ATOM 246 CE LYS A 16 7.192 -9.158 -12.434 1.00 0.00 C ATOM 247 NZ LYS A 16 6.877 -9.059 -13.881 1.00 0.00 N ATOM 0 H LYS A 16 5.443 -6.430 -10.171 1.00 0.00 H new ATOM 0 HA LYS A 16 3.477 -6.503 -12.178 1.00 0.00 H new ATOM 0 HB2 LYS A 16 4.146 -8.300 -9.825 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.832 -8.677 -10.921 1.00 0.00 H new ATOM 0 HG2 LYS A 16 4.728 -9.933 -11.648 1.00 0.00 H new ATOM 0 HG3 LYS A 16 4.485 -8.657 -12.824 1.00 0.00 H new ATOM 0 HD2 LYS A 16 6.278 -7.321 -11.811 1.00 0.00 H new ATOM 0 HD3 LYS A 16 6.471 -8.496 -10.526 1.00 0.00 H new ATOM 0 HE2 LYS A 16 8.199 -8.781 -12.257 1.00 0.00 H new ATOM 0 HE3 LYS A 16 7.186 -10.206 -12.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 7.647 -9.486 -14.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 5.989 -9.562 -14.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 6.774 -8.059 -14.146 1.00 0.00 H new ATOM 261 N PRO A 17 1.235 -5.957 -11.189 1.00 0.00 N ATOM 262 CA PRO A 17 -0.075 -5.572 -10.652 1.00 0.00 C ATOM 263 C PRO A 17 -0.652 -6.644 -9.732 1.00 0.00 C ATOM 264 O PRO A 17 -0.917 -7.772 -10.160 1.00 0.00 O ATOM 265 CB PRO A 17 -0.950 -5.411 -11.904 1.00 0.00 C ATOM 266 CG PRO A 17 0.013 -5.206 -13.020 1.00 0.00 C ATOM 267 CD PRO A 17 1.232 -6.004 -12.660 1.00 0.00 C ATOM 0 HA PRO A 17 -0.017 -4.669 -10.045 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -1.567 -6.294 -12.071 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -1.628 -4.563 -11.806 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -0.409 -5.542 -13.967 1.00 0.00 H new ATOM 0 HG3 PRO A 17 0.257 -4.150 -13.137 1.00 0.00 H new ATOM 0 HD2 PRO A 17 1.169 -7.027 -13.031 1.00 0.00 H new ATOM 0 HD3 PRO A 17 2.139 -5.568 -13.080 1.00 0.00 H new ATOM 275 N LEU A 18 -0.834 -6.289 -8.470 1.00 0.00 N ATOM 276 CA LEU A 18 -1.318 -7.230 -7.473 1.00 0.00 C ATOM 277 C LEU A 18 -2.789 -7.561 -7.700 1.00 0.00 C ATOM 278 O LEU A 18 -3.596 -6.685 -8.012 1.00 0.00 O ATOM 279 CB LEU A 18 -1.106 -6.673 -6.065 1.00 0.00 C ATOM 280 CG LEU A 18 0.356 -6.471 -5.662 1.00 0.00 C ATOM 281 CD1 LEU A 18 0.454 -5.943 -4.240 1.00 0.00 C ATOM 282 CD2 LEU A 18 1.134 -7.770 -5.806 1.00 0.00 C ATOM 0 H LEU A 18 -0.653 -5.352 -8.111 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.746 -8.152 -7.573 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.624 -5.717 -5.987 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.574 -7.349 -5.349 1.00 0.00 H new ATOM 0 HG LEU A 18 0.796 -5.731 -6.331 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.502 -5.807 -3.974 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.065 -4.987 -4.170 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -0.004 -6.656 -3.555 1.00 0.00 H new ATOM 0 HD21 LEU A 18 2.172 -7.607 -5.515 1.00 0.00 H new ATOM 0 HD22 LEU A 18 0.692 -8.532 -5.163 1.00 0.00 H new ATOM 0 HD23 LEU A 18 1.096 -8.104 -6.843 1.00 0.00 H new ATOM 294 N SER A 19 -3.122 -8.831 -7.545 1.00 0.00 N ATOM 295 CA SER A 19 -4.476 -9.309 -7.760 1.00 0.00 C ATOM 296 C SER A 19 -5.392 -8.886 -6.610 1.00 0.00 C ATOM 297 O SER A 19 -4.987 -8.908 -5.447 1.00 0.00 O ATOM 298 CB SER A 19 -4.450 -10.831 -7.892 1.00 0.00 C ATOM 299 OG SER A 19 -3.396 -11.241 -8.753 1.00 0.00 O ATOM 0 H SER A 19 -2.463 -9.558 -7.267 1.00 0.00 H new ATOM 0 HA SER A 19 -4.871 -8.869 -8.676 1.00 0.00 H new ATOM 0 HB2 SER A 19 -4.321 -11.284 -6.909 1.00 0.00 H new ATOM 0 HB3 SER A 19 -5.404 -11.184 -8.283 1.00 0.00 H new ATOM 0 HG SER A 19 -3.393 -12.218 -8.824 1.00 0.00 H new ATOM 305 N ASP A 20 -6.624 -8.505 -6.947 1.00 0.00 N ATOM 306 CA ASP A 20 -7.609 -8.044 -5.960 1.00 0.00 C ATOM 307 C ASP A 20 -7.818 -9.084 -4.865 1.00 0.00 C ATOM 308 O ASP A 20 -8.036 -8.746 -3.701 1.00 0.00 O ATOM 309 CB ASP A 20 -8.946 -7.759 -6.646 1.00 0.00 C ATOM 310 CG ASP A 20 -9.876 -6.903 -5.805 1.00 0.00 C ATOM 311 OD1 ASP A 20 -10.661 -7.455 -5.001 1.00 0.00 O ATOM 312 OD2 ASP A 20 -9.845 -5.662 -5.965 1.00 0.00 O ATOM 0 H ASP A 20 -6.969 -8.506 -7.907 1.00 0.00 H new ATOM 0 HA ASP A 20 -7.225 -7.130 -5.506 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -8.761 -7.258 -7.596 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -9.439 -8.704 -6.875 1.00 0.00 H new ATOM 317 N LYS A 21 -7.738 -10.351 -5.256 1.00 0.00 N ATOM 318 CA LYS A 21 -7.899 -11.461 -4.326 1.00 0.00 C ATOM 319 C LYS A 21 -6.897 -11.373 -3.177 1.00 0.00 C ATOM 320 O LYS A 21 -7.259 -11.552 -2.017 1.00 0.00 O ATOM 321 CB LYS A 21 -7.745 -12.796 -5.058 1.00 0.00 C ATOM 322 CG LYS A 21 -8.865 -13.082 -6.044 1.00 0.00 C ATOM 323 CD LYS A 21 -8.597 -14.352 -6.836 1.00 0.00 C ATOM 324 CE LYS A 21 -9.784 -14.734 -7.702 1.00 0.00 C ATOM 325 NZ LYS A 21 -10.978 -15.084 -6.887 1.00 0.00 N ATOM 0 H LYS A 21 -7.561 -10.636 -6.219 1.00 0.00 H new ATOM 0 HA LYS A 21 -8.902 -11.400 -3.905 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -6.794 -12.801 -5.590 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -7.704 -13.601 -4.324 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -9.809 -13.179 -5.507 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -8.973 -12.241 -6.728 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -7.718 -14.210 -7.465 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -8.369 -15.168 -6.150 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -10.029 -13.906 -8.367 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -9.515 -15.581 -8.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -11.659 -15.605 -7.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -10.688 -15.678 -6.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -11.423 -14.214 -6.531 1.00 0.00 H new ATOM 339 N LEU A 22 -5.634 -11.120 -3.497 1.00 0.00 N ATOM 340 CA LEU A 22 -4.625 -10.946 -2.464 1.00 0.00 C ATOM 341 C LEU A 22 -4.748 -9.567 -1.811 1.00 0.00 C ATOM 342 O LEU A 22 -4.370 -9.381 -0.659 1.00 0.00 O ATOM 343 CB LEU A 22 -3.207 -11.203 -3.006 1.00 0.00 C ATOM 344 CG LEU A 22 -2.670 -10.224 -4.057 1.00 0.00 C ATOM 345 CD1 LEU A 22 -2.086 -8.985 -3.397 1.00 0.00 C ATOM 346 CD2 LEU A 22 -1.624 -10.908 -4.923 1.00 0.00 C ATOM 0 H LEU A 22 -5.288 -11.032 -4.453 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.804 -11.693 -1.691 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -2.518 -11.204 -2.162 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.186 -12.205 -3.435 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.500 -9.910 -4.689 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.712 -8.306 -4.164 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.860 -8.484 -2.815 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.267 -9.275 -2.739 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.250 -10.204 -5.666 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.799 -11.248 -4.297 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.073 -11.763 -5.428 1.00 0.00 H new ATOM 358 N LEU A 23 -5.278 -8.602 -2.559 1.00 0.00 N ATOM 359 CA LEU A 23 -5.413 -7.232 -2.071 1.00 0.00 C ATOM 360 C LEU A 23 -6.387 -7.143 -0.900 1.00 0.00 C ATOM 361 O LEU A 23 -6.163 -6.384 0.037 1.00 0.00 O ATOM 362 CB LEU A 23 -5.858 -6.290 -3.190 1.00 0.00 C ATOM 363 CG LEU A 23 -4.805 -6.016 -4.267 1.00 0.00 C ATOM 364 CD1 LEU A 23 -5.375 -5.122 -5.357 1.00 0.00 C ATOM 365 CD2 LEU A 23 -3.572 -5.375 -3.650 1.00 0.00 C ATOM 0 H LEU A 23 -5.622 -8.745 -3.509 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.429 -6.922 -1.720 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.743 -6.711 -3.668 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.157 -5.340 -2.747 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.517 -6.966 -4.716 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.612 -4.939 -6.113 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.232 -5.612 -5.818 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -5.690 -4.174 -4.922 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -2.832 -5.186 -4.428 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.850 -4.433 -3.177 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -3.149 -6.046 -2.902 1.00 0.00 H new ATOM 377 N ARG A 24 -7.458 -7.932 -0.931 1.00 0.00 N ATOM 378 CA ARG A 24 -8.428 -7.937 0.174 1.00 0.00 C ATOM 379 C ARG A 24 -7.814 -8.518 1.454 1.00 0.00 C ATOM 380 O ARG A 24 -8.495 -8.692 2.468 1.00 0.00 O ATOM 381 CB ARG A 24 -9.691 -8.716 -0.206 1.00 0.00 C ATOM 382 CG ARG A 24 -9.446 -10.179 -0.518 1.00 0.00 C ATOM 383 CD ARG A 24 -10.753 -10.932 -0.695 1.00 0.00 C ATOM 384 NE ARG A 24 -11.542 -10.934 0.535 1.00 0.00 N ATOM 385 CZ ARG A 24 -12.656 -11.637 0.716 1.00 0.00 C ATOM 386 NH1 ARG A 24 -13.158 -12.380 -0.262 1.00 0.00 N ATOM 387 NH2 ARG A 24 -13.277 -11.579 1.886 1.00 0.00 N ATOM 0 H ARG A 24 -7.679 -8.570 -1.695 1.00 0.00 H new ATOM 0 HA ARG A 24 -8.704 -6.900 0.368 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -10.408 -8.645 0.612 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -10.150 -8.242 -1.074 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -8.849 -10.264 -1.426 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -8.868 -10.633 0.287 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -11.331 -10.475 -1.498 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -10.545 -11.959 -0.996 1.00 0.00 H new ATOM 0 HE ARG A 24 -11.215 -10.356 1.309 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -12.689 -12.417 -1.167 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -14.013 -12.914 -0.109 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -12.899 -10.999 2.636 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -14.132 -12.114 2.036 1.00 0.00 H new ATOM 401 N LYS A 25 -6.523 -8.817 1.389 1.00 0.00 N ATOM 402 CA LYS A 25 -5.776 -9.355 2.517 1.00 0.00 C ATOM 403 C LYS A 25 -4.807 -8.300 3.056 1.00 0.00 C ATOM 404 O LYS A 25 -4.059 -8.552 4.007 1.00 0.00 O ATOM 405 CB LYS A 25 -5.005 -10.601 2.078 1.00 0.00 C ATOM 406 CG LYS A 25 -5.878 -11.645 1.400 1.00 0.00 C ATOM 407 CD LYS A 25 -5.036 -12.678 0.671 1.00 0.00 C ATOM 408 CE LYS A 25 -4.126 -13.434 1.617 1.00 0.00 C ATOM 409 NZ LYS A 25 -4.885 -14.336 2.527 1.00 0.00 N ATOM 0 H LYS A 25 -5.962 -8.692 0.546 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.473 -9.628 3.309 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -4.209 -10.305 1.395 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -4.527 -11.049 2.949 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -6.501 -12.140 2.145 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -6.551 -11.157 0.695 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -5.690 -13.382 0.156 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -4.436 -12.184 -0.093 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -3.411 -14.021 1.040 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -3.550 -12.723 2.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -4.657 -14.105 3.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -5.905 -14.210 2.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -4.624 -15.324 2.334 1.00 0.00 H new ATOM 423 N VAL A 26 -4.820 -7.127 2.429 1.00 0.00 N ATOM 424 CA VAL A 26 -3.991 -6.005 2.857 1.00 0.00 C ATOM 425 C VAL A 26 -4.712 -5.243 3.966 1.00 0.00 C ATOM 426 O VAL A 26 -5.940 -5.245 4.018 1.00 0.00 O ATOM 427 CB VAL A 26 -3.685 -5.039 1.681 1.00 0.00 C ATOM 428 CG1 VAL A 26 -2.689 -3.968 2.093 1.00 0.00 C ATOM 429 CG2 VAL A 26 -3.162 -5.800 0.473 1.00 0.00 C ATOM 0 H VAL A 26 -5.402 -6.928 1.615 1.00 0.00 H new ATOM 0 HA VAL A 26 -3.043 -6.401 3.222 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.621 -4.552 1.408 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.495 -3.307 1.248 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -3.099 -3.389 2.920 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.757 -4.439 2.407 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.956 -5.100 -0.337 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.245 -6.324 0.742 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -3.910 -6.522 0.146 1.00 0.00 H new ATOM 439 N ILE A 27 -3.959 -4.619 4.866 1.00 0.00 N ATOM 440 CA ILE A 27 -4.569 -3.894 5.977 1.00 0.00 C ATOM 441 C ILE A 27 -4.114 -2.434 6.042 1.00 0.00 C ATOM 442 O ILE A 27 -4.824 -1.593 6.597 1.00 0.00 O ATOM 443 CB ILE A 27 -4.283 -4.582 7.332 1.00 0.00 C ATOM 444 CG1 ILE A 27 -2.776 -4.793 7.530 1.00 0.00 C ATOM 445 CG2 ILE A 27 -5.035 -5.905 7.423 1.00 0.00 C ATOM 446 CD1 ILE A 27 -2.420 -5.496 8.825 1.00 0.00 C ATOM 0 H ILE A 27 -2.939 -4.600 4.850 1.00 0.00 H new ATOM 0 HA ILE A 27 -5.643 -3.909 5.789 1.00 0.00 H new ATOM 0 HB ILE A 27 -4.636 -3.931 8.131 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -2.387 -5.374 6.694 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -2.277 -3.824 7.505 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -4.824 -6.378 8.382 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -6.106 -5.721 7.337 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -4.713 -6.563 6.616 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -1.338 -5.608 8.892 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -2.777 -4.906 9.669 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -2.889 -6.480 8.846 1.00 0.00 H new ATOM 458 N GLN A 28 -2.941 -2.133 5.482 1.00 0.00 N ATOM 459 CA GLN A 28 -2.389 -0.774 5.526 1.00 0.00 C ATOM 460 C GLN A 28 -1.476 -0.502 4.330 1.00 0.00 C ATOM 461 O GLN A 28 -0.911 -1.429 3.744 1.00 0.00 O ATOM 462 CB GLN A 28 -1.588 -0.555 6.820 1.00 0.00 C ATOM 463 CG GLN A 28 -2.437 -0.333 8.067 1.00 0.00 C ATOM 464 CD GLN A 28 -3.174 0.998 8.055 1.00 0.00 C ATOM 465 OE1 GLN A 28 -2.657 2.010 8.527 1.00 0.00 O ATOM 466 NE2 GLN A 28 -4.385 1.003 7.524 1.00 0.00 N ATOM 0 H GLN A 28 -2.354 -2.809 4.993 1.00 0.00 H new ATOM 0 HA GLN A 28 -3.233 -0.085 5.493 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -0.946 -1.420 6.984 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -0.934 0.306 6.685 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -3.162 -1.142 8.155 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -1.797 -0.380 8.948 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -4.778 0.142 7.143 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -4.926 1.867 7.495 1.00 0.00 H new ATOM 475 N VAL A 29 -1.354 0.771 3.965 1.00 0.00 N ATOM 476 CA VAL A 29 -0.355 1.202 2.996 1.00 0.00 C ATOM 477 C VAL A 29 0.859 1.772 3.722 1.00 0.00 C ATOM 478 O VAL A 29 0.741 2.667 4.563 1.00 0.00 O ATOM 479 CB VAL A 29 -0.892 2.257 1.988 1.00 0.00 C ATOM 480 CG1 VAL A 29 -1.872 1.623 1.009 1.00 0.00 C ATOM 481 CG2 VAL A 29 -1.539 3.440 2.705 1.00 0.00 C ATOM 0 H VAL A 29 -1.938 1.524 4.328 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.080 0.318 2.420 1.00 0.00 H new ATOM 0 HB VAL A 29 -0.038 2.636 1.426 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.234 2.381 0.314 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -1.370 0.831 0.453 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -2.714 1.203 1.558 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -1.903 4.157 1.969 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -2.374 3.086 3.310 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -0.803 3.922 3.348 1.00 0.00 H new ATOM 491 N GLU A 30 2.021 1.239 3.402 1.00 0.00 N ATOM 492 CA GLU A 30 3.259 1.680 4.016 1.00 0.00 C ATOM 493 C GLU A 30 3.918 2.710 3.119 1.00 0.00 C ATOM 494 O GLU A 30 4.389 2.382 2.028 1.00 0.00 O ATOM 495 CB GLU A 30 4.213 0.497 4.209 1.00 0.00 C ATOM 496 CG GLU A 30 3.534 -0.774 4.686 1.00 0.00 C ATOM 497 CD GLU A 30 3.011 -0.673 6.105 1.00 0.00 C ATOM 498 OE1 GLU A 30 1.916 -0.116 6.301 1.00 0.00 O ATOM 499 OE2 GLU A 30 3.685 -1.179 7.028 1.00 0.00 O ATOM 0 H GLU A 30 2.135 0.494 2.715 1.00 0.00 H new ATOM 0 HA GLU A 30 3.036 2.115 4.990 1.00 0.00 H new ATOM 0 HB2 GLU A 30 4.719 0.294 3.265 1.00 0.00 H new ATOM 0 HB3 GLU A 30 4.982 0.778 4.929 1.00 0.00 H new ATOM 0 HG2 GLU A 30 2.707 -1.010 4.016 1.00 0.00 H new ATOM 0 HG3 GLU A 30 4.241 -1.602 4.624 1.00 0.00 H new ATOM 506 N LEU A 31 3.950 3.954 3.556 1.00 0.00 N ATOM 507 CA LEU A 31 4.560 4.992 2.751 1.00 0.00 C ATOM 508 C LEU A 31 6.035 5.129 3.076 1.00 0.00 C ATOM 509 O LEU A 31 6.415 5.655 4.124 1.00 0.00 O ATOM 510 CB LEU A 31 3.854 6.338 2.927 1.00 0.00 C ATOM 511 CG LEU A 31 4.483 7.496 2.137 1.00 0.00 C ATOM 512 CD1 LEU A 31 4.623 7.128 0.667 1.00 0.00 C ATOM 513 CD2 LEU A 31 3.656 8.761 2.279 1.00 0.00 C ATOM 0 H LEU A 31 3.568 4.266 4.449 1.00 0.00 H new ATOM 0 HA LEU A 31 4.454 4.694 1.708 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.813 6.230 2.622 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.851 6.597 3.986 1.00 0.00 H new ATOM 0 HG LEU A 31 5.475 7.683 2.549 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.070 7.961 0.124 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.260 6.249 0.571 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.639 6.911 0.251 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.122 9.566 1.711 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.650 8.583 1.898 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.601 9.044 3.330 1.00 0.00 H new ATOM 525 N GLN A 32 6.858 4.635 2.172 1.00 0.00 N ATOM 526 CA GLN A 32 8.284 4.829 2.260 1.00 0.00 C ATOM 527 C GLN A 32 8.623 6.195 1.695 1.00 0.00 C ATOM 528 O GLN A 32 8.587 6.406 0.483 1.00 0.00 O ATOM 529 CB GLN A 32 9.019 3.730 1.504 1.00 0.00 C ATOM 530 CG GLN A 32 10.511 3.966 1.402 1.00 0.00 C ATOM 531 CD GLN A 32 11.230 2.820 0.738 1.00 0.00 C ATOM 532 OE1 GLN A 32 10.845 1.659 0.880 1.00 0.00 O ATOM 533 NE2 GLN A 32 12.266 3.136 -0.012 1.00 0.00 N ATOM 0 H GLN A 32 6.556 4.092 1.363 1.00 0.00 H new ATOM 0 HA GLN A 32 8.601 4.779 3.302 1.00 0.00 H new ATOM 0 HB2 GLN A 32 8.842 2.776 2.001 1.00 0.00 H new ATOM 0 HB3 GLN A 32 8.602 3.648 0.500 1.00 0.00 H new ATOM 0 HG2 GLN A 32 10.694 4.881 0.839 1.00 0.00 H new ATOM 0 HG3 GLN A 32 10.921 4.119 2.400 1.00 0.00 H new ATOM 0 HE21 GLN A 32 12.552 4.111 -0.102 1.00 0.00 H new ATOM 0 HE22 GLN A 32 12.782 2.406 -0.502 1.00 0.00 H new ATOM 542 N GLU A 33 8.907 7.128 2.582 1.00 0.00 N ATOM 543 CA GLU A 33 9.180 8.493 2.180 1.00 0.00 C ATOM 544 C GLU A 33 10.550 8.611 1.532 1.00 0.00 C ATOM 545 O GLU A 33 11.448 7.813 1.804 1.00 0.00 O ATOM 546 CB GLU A 33 9.093 9.426 3.384 1.00 0.00 C ATOM 547 CG GLU A 33 7.723 9.450 4.037 1.00 0.00 C ATOM 548 CD GLU A 33 7.640 10.479 5.141 1.00 0.00 C ATOM 549 OE1 GLU A 33 8.031 10.161 6.279 1.00 0.00 O ATOM 550 OE2 GLU A 33 7.202 11.616 4.863 1.00 0.00 O ATOM 0 H GLU A 33 8.955 6.965 3.588 1.00 0.00 H new ATOM 0 HA GLU A 33 8.428 8.783 1.446 1.00 0.00 H new ATOM 0 HB2 GLU A 33 9.833 9.121 4.124 1.00 0.00 H new ATOM 0 HB3 GLU A 33 9.354 10.436 3.070 1.00 0.00 H new ATOM 0 HG2 GLU A 33 6.966 9.665 3.283 1.00 0.00 H new ATOM 0 HG3 GLU A 33 7.497 8.464 4.443 1.00 0.00 H new ATOM 557 N ALA A 34 10.703 9.622 0.688 1.00 0.00 N ATOM 558 CA ALA A 34 11.954 9.854 -0.020 1.00 0.00 C ATOM 559 C ALA A 34 12.939 10.621 0.851 1.00 0.00 C ATOM 560 O ALA A 34 14.045 10.949 0.418 1.00 0.00 O ATOM 561 CB ALA A 34 11.691 10.612 -1.312 1.00 0.00 C ATOM 0 H ALA A 34 9.970 10.299 0.476 1.00 0.00 H new ATOM 0 HA ALA A 34 12.396 8.887 -0.260 1.00 0.00 H new ATOM 0 HB1 ALA A 34 12.633 10.780 -1.833 1.00 0.00 H new ATOM 0 HB2 ALA A 34 11.024 10.029 -1.947 1.00 0.00 H new ATOM 0 HB3 ALA A 34 11.227 11.571 -1.083 1.00 0.00 H new ATOM 567 N ASP A 35 12.534 10.907 2.079 1.00 0.00 N ATOM 568 CA ASP A 35 13.391 11.632 3.007 1.00 0.00 C ATOM 569 C ASP A 35 13.010 11.354 4.456 1.00 0.00 C ATOM 570 O ASP A 35 13.856 11.401 5.346 1.00 0.00 O ATOM 571 CB ASP A 35 13.315 13.135 2.728 1.00 0.00 C ATOM 572 CG ASP A 35 14.229 13.942 3.625 1.00 0.00 C ATOM 573 OD1 ASP A 35 15.442 14.009 3.332 1.00 0.00 O ATOM 574 OD2 ASP A 35 13.737 14.525 4.609 1.00 0.00 O ATOM 0 H ASP A 35 11.622 10.650 2.456 1.00 0.00 H new ATOM 0 HA ASP A 35 14.413 11.285 2.856 1.00 0.00 H new ATOM 0 HB2 ASP A 35 13.578 13.321 1.687 1.00 0.00 H new ATOM 0 HB3 ASP A 35 12.288 13.474 2.863 1.00 0.00 H new ATOM 579 N GLY A 36 11.737 11.042 4.680 1.00 0.00 N ATOM 580 CA GLY A 36 11.234 10.823 6.030 1.00 0.00 C ATOM 581 C GLY A 36 11.861 9.629 6.739 1.00 0.00 C ATOM 582 O GLY A 36 11.704 9.476 7.951 1.00 0.00 O ATOM 0 H GLY A 36 11.037 10.936 3.945 1.00 0.00 H new ATOM 0 HA2 GLY A 36 11.413 11.720 6.623 1.00 0.00 H new ATOM 0 HA3 GLY A 36 10.154 10.680 5.986 1.00 0.00 H new ATOM 586 N ASP A 37 12.555 8.780 5.990 1.00 0.00 N ATOM 587 CA ASP A 37 13.252 7.633 6.571 1.00 0.00 C ATOM 588 C ASP A 37 14.338 7.159 5.617 1.00 0.00 C ATOM 589 O ASP A 37 15.525 7.197 5.930 1.00 0.00 O ATOM 590 CB ASP A 37 12.276 6.485 6.860 1.00 0.00 C ATOM 591 CG ASP A 37 12.920 5.348 7.635 1.00 0.00 C ATOM 592 OD1 ASP A 37 13.594 4.498 7.016 1.00 0.00 O ATOM 593 OD2 ASP A 37 12.746 5.291 8.871 1.00 0.00 O ATOM 0 H ASP A 37 12.652 8.862 4.978 1.00 0.00 H new ATOM 0 HA ASP A 37 13.702 7.944 7.514 1.00 0.00 H new ATOM 0 HB2 ASP A 37 11.427 6.869 7.425 1.00 0.00 H new ATOM 0 HB3 ASP A 37 11.884 6.101 5.918 1.00 0.00 H new ATOM 598 N CYS A 38 13.912 6.729 4.443 1.00 0.00 N ATOM 599 CA CYS A 38 14.820 6.313 3.390 1.00 0.00 C ATOM 600 C CYS A 38 14.974 7.458 2.393 1.00 0.00 C ATOM 601 O CYS A 38 14.211 8.418 2.442 1.00 0.00 O ATOM 602 CB CYS A 38 14.253 5.067 2.703 1.00 0.00 C ATOM 603 SG CYS A 38 15.282 4.368 1.363 1.00 0.00 S ATOM 0 H CYS A 38 12.926 6.658 4.193 1.00 0.00 H new ATOM 0 HA CYS A 38 15.799 6.069 3.802 1.00 0.00 H new ATOM 0 HB2 CYS A 38 14.098 4.296 3.458 1.00 0.00 H new ATOM 0 HB3 CYS A 38 13.273 5.314 2.294 1.00 0.00 H new ATOM 608 N HIS A 39 15.954 7.372 1.504 1.00 0.00 N ATOM 609 CA HIS A 39 16.154 8.409 0.492 1.00 0.00 C ATOM 610 C HIS A 39 15.488 8.026 -0.826 1.00 0.00 C ATOM 611 O HIS A 39 15.668 8.689 -1.846 1.00 0.00 O ATOM 612 CB HIS A 39 17.649 8.699 0.280 1.00 0.00 C ATOM 613 CG HIS A 39 18.509 7.484 0.088 1.00 0.00 C ATOM 614 ND1 HIS A 39 19.540 7.164 0.940 1.00 0.00 N ATOM 615 CD2 HIS A 39 18.496 6.519 -0.862 1.00 0.00 C ATOM 616 CE1 HIS A 39 20.122 6.056 0.528 1.00 0.00 C ATOM 617 NE2 HIS A 39 19.507 5.640 -0.564 1.00 0.00 N ATOM 0 H HIS A 39 16.621 6.601 1.460 1.00 0.00 H new ATOM 0 HA HIS A 39 15.682 9.321 0.858 1.00 0.00 H new ATOM 0 HB2 HIS A 39 17.759 9.345 -0.591 1.00 0.00 H new ATOM 0 HB3 HIS A 39 18.021 9.257 1.139 1.00 0.00 H new ATOM 0 HD2 HIS A 39 17.816 6.453 -1.699 1.00 0.00 H new ATOM 0 HE1 HIS A 39 20.961 5.570 1.003 1.00 0.00 H new ATOM 0 HE2 HIS A 39 19.744 4.804 -1.098 1.00 0.00 H new ATOM 626 N LEU A 40 14.710 6.957 -0.789 1.00 0.00 N ATOM 627 CA LEU A 40 13.983 6.488 -1.955 1.00 0.00 C ATOM 628 C LEU A 40 12.506 6.364 -1.597 1.00 0.00 C ATOM 629 O LEU A 40 12.171 5.852 -0.533 1.00 0.00 O ATOM 630 CB LEU A 40 14.567 5.141 -2.413 1.00 0.00 C ATOM 631 CG LEU A 40 14.030 4.581 -3.736 1.00 0.00 C ATOM 632 CD1 LEU A 40 15.086 3.721 -4.409 1.00 0.00 C ATOM 633 CD2 LEU A 40 12.772 3.758 -3.509 1.00 0.00 C ATOM 0 H LEU A 40 14.565 6.392 0.048 1.00 0.00 H new ATOM 0 HA LEU A 40 14.081 7.194 -2.779 1.00 0.00 H new ATOM 0 HB2 LEU A 40 15.648 5.249 -2.501 1.00 0.00 H new ATOM 0 HB3 LEU A 40 14.383 4.405 -1.630 1.00 0.00 H new ATOM 0 HG LEU A 40 13.783 5.424 -4.382 1.00 0.00 H new ATOM 0 HD11 LEU A 40 14.693 3.329 -5.347 1.00 0.00 H new ATOM 0 HD12 LEU A 40 15.972 4.323 -4.610 1.00 0.00 H new ATOM 0 HD13 LEU A 40 15.352 2.892 -3.753 1.00 0.00 H new ATOM 0 HD21 LEU A 40 12.412 3.373 -4.463 1.00 0.00 H new ATOM 0 HD22 LEU A 40 12.997 2.925 -2.843 1.00 0.00 H new ATOM 0 HD23 LEU A 40 12.003 4.385 -3.058 1.00 0.00 H new ATOM 645 N GLN A 41 11.633 6.850 -2.471 1.00 0.00 N ATOM 646 CA GLN A 41 10.199 6.837 -2.201 1.00 0.00 C ATOM 647 C GLN A 41 9.576 5.545 -2.718 1.00 0.00 C ATOM 648 O GLN A 41 9.862 5.119 -3.838 1.00 0.00 O ATOM 649 CB GLN A 41 9.521 8.033 -2.871 1.00 0.00 C ATOM 650 CG GLN A 41 8.202 8.433 -2.226 1.00 0.00 C ATOM 651 CD GLN A 41 7.434 9.436 -3.063 1.00 0.00 C ATOM 652 OE1 GLN A 41 7.507 9.425 -4.291 1.00 0.00 O ATOM 653 NE2 GLN A 41 6.700 10.318 -2.403 1.00 0.00 N ATOM 0 H GLN A 41 11.891 7.257 -3.370 1.00 0.00 H new ATOM 0 HA GLN A 41 10.052 6.900 -1.123 1.00 0.00 H new ATOM 0 HB2 GLN A 41 10.200 8.885 -2.845 1.00 0.00 H new ATOM 0 HB3 GLN A 41 9.345 7.798 -3.921 1.00 0.00 H new ATOM 0 HG2 GLN A 41 7.589 7.544 -2.075 1.00 0.00 H new ATOM 0 HG3 GLN A 41 8.396 8.858 -1.241 1.00 0.00 H new ATOM 0 HE21 GLN A 41 6.667 10.293 -1.384 1.00 0.00 H new ATOM 0 HE22 GLN A 41 6.168 11.023 -2.914 1.00 0.00 H new ATOM 662 N ALA A 42 8.725 4.932 -1.908 1.00 0.00 N ATOM 663 CA ALA A 42 8.053 3.701 -2.295 1.00 0.00 C ATOM 664 C ALA A 42 6.694 3.581 -1.618 1.00 0.00 C ATOM 665 O ALA A 42 6.446 4.198 -0.583 1.00 0.00 O ATOM 666 CB ALA A 42 8.910 2.492 -1.956 1.00 0.00 C ATOM 0 H ALA A 42 8.483 5.269 -0.976 1.00 0.00 H new ATOM 0 HA ALA A 42 7.899 3.733 -3.374 1.00 0.00 H new ATOM 0 HB1 ALA A 42 8.389 1.582 -2.253 1.00 0.00 H new ATOM 0 HB2 ALA A 42 9.859 2.558 -2.489 1.00 0.00 H new ATOM 0 HB3 ALA A 42 9.097 2.468 -0.882 1.00 0.00 H new ATOM 672 N PHE A 43 5.821 2.787 -2.211 1.00 0.00 N ATOM 673 CA PHE A 43 4.522 2.499 -1.630 1.00 0.00 C ATOM 674 C PHE A 43 4.407 1.011 -1.352 1.00 0.00 C ATOM 675 O PHE A 43 4.207 0.205 -2.257 1.00 0.00 O ATOM 676 CB PHE A 43 3.389 2.957 -2.549 1.00 0.00 C ATOM 677 CG PHE A 43 2.875 4.337 -2.242 1.00 0.00 C ATOM 678 CD1 PHE A 43 3.467 5.457 -2.800 1.00 0.00 C ATOM 679 CD2 PHE A 43 1.790 4.509 -1.396 1.00 0.00 C ATOM 680 CE1 PHE A 43 2.988 6.723 -2.522 1.00 0.00 C ATOM 681 CE2 PHE A 43 1.308 5.773 -1.112 1.00 0.00 C ATOM 682 CZ PHE A 43 1.908 6.882 -1.676 1.00 0.00 C ATOM 0 H PHE A 43 5.991 2.326 -3.105 1.00 0.00 H new ATOM 0 HA PHE A 43 4.433 3.051 -0.694 1.00 0.00 H new ATOM 0 HB2 PHE A 43 3.739 2.932 -3.581 1.00 0.00 H new ATOM 0 HB3 PHE A 43 2.565 2.248 -2.474 1.00 0.00 H new ATOM 0 HD1 PHE A 43 4.313 5.340 -3.461 1.00 0.00 H new ATOM 0 HD2 PHE A 43 1.316 3.645 -0.954 1.00 0.00 H new ATOM 0 HE1 PHE A 43 3.458 7.588 -2.966 1.00 0.00 H new ATOM 0 HE2 PHE A 43 0.463 5.893 -0.450 1.00 0.00 H new ATOM 0 HZ PHE A 43 1.534 7.871 -1.456 1.00 0.00 H new ATOM 692 N VAL A 44 4.565 0.651 -0.099 1.00 0.00 N ATOM 693 CA VAL A 44 4.560 -0.738 0.301 1.00 0.00 C ATOM 694 C VAL A 44 3.162 -1.144 0.758 1.00 0.00 C ATOM 695 O VAL A 44 2.463 -0.361 1.388 1.00 0.00 O ATOM 696 CB VAL A 44 5.591 -0.968 1.429 1.00 0.00 C ATOM 697 CG1 VAL A 44 5.609 -2.417 1.889 1.00 0.00 C ATOM 698 CG2 VAL A 44 6.971 -0.530 0.963 1.00 0.00 C ATOM 0 H VAL A 44 4.700 1.309 0.669 1.00 0.00 H new ATOM 0 HA VAL A 44 4.838 -1.357 -0.552 1.00 0.00 H new ATOM 0 HB VAL A 44 5.296 -0.364 2.287 1.00 0.00 H new ATOM 0 HG11 VAL A 44 6.346 -2.538 2.682 1.00 0.00 H new ATOM 0 HG12 VAL A 44 4.623 -2.692 2.265 1.00 0.00 H new ATOM 0 HG13 VAL A 44 5.870 -3.062 1.050 1.00 0.00 H new ATOM 0 HG21 VAL A 44 7.694 -0.694 1.762 1.00 0.00 H new ATOM 0 HG22 VAL A 44 7.260 -1.110 0.087 1.00 0.00 H new ATOM 0 HG23 VAL A 44 6.949 0.529 0.706 1.00 0.00 H new ATOM 708 N LEU A 45 2.742 -2.344 0.409 1.00 0.00 N ATOM 709 CA LEU A 45 1.438 -2.832 0.822 1.00 0.00 C ATOM 710 C LEU A 45 1.570 -3.816 1.963 1.00 0.00 C ATOM 711 O LEU A 45 2.177 -4.878 1.821 1.00 0.00 O ATOM 712 CB LEU A 45 0.685 -3.462 -0.348 1.00 0.00 C ATOM 713 CG LEU A 45 0.079 -2.452 -1.315 1.00 0.00 C ATOM 714 CD1 LEU A 45 -0.740 -3.151 -2.385 1.00 0.00 C ATOM 715 CD2 LEU A 45 -0.779 -1.454 -0.554 1.00 0.00 C ATOM 0 H LEU A 45 3.282 -2.998 -0.158 1.00 0.00 H new ATOM 0 HA LEU A 45 0.859 -1.977 1.170 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.367 -4.111 -0.898 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.111 -4.095 0.045 1.00 0.00 H new ATOM 0 HG LEU A 45 0.890 -1.916 -1.809 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.162 -2.409 -3.063 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.100 -3.832 -2.946 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.547 -3.714 -1.916 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.208 -0.736 -1.253 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.581 -1.982 -0.038 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.164 -0.927 0.176 1.00 0.00 H new ATOM 727 N HIS A 46 0.998 -3.452 3.094 1.00 0.00 N ATOM 728 CA HIS A 46 1.098 -4.261 4.293 1.00 0.00 C ATOM 729 C HIS A 46 -0.099 -5.195 4.394 1.00 0.00 C ATOM 730 O HIS A 46 -1.164 -4.797 4.862 1.00 0.00 O ATOM 731 CB HIS A 46 1.163 -3.362 5.532 1.00 0.00 C ATOM 732 CG HIS A 46 1.658 -4.044 6.776 1.00 0.00 C ATOM 733 ND1 HIS A 46 2.580 -3.469 7.623 1.00 0.00 N ATOM 734 CD2 HIS A 46 1.347 -5.242 7.326 1.00 0.00 C ATOM 735 CE1 HIS A 46 2.816 -4.279 8.634 1.00 0.00 C ATOM 736 NE2 HIS A 46 2.081 -5.363 8.481 1.00 0.00 N ATOM 0 H HIS A 46 0.456 -2.596 3.208 1.00 0.00 H new ATOM 0 HA HIS A 46 2.010 -4.856 4.239 1.00 0.00 H new ATOM 0 HB2 HIS A 46 1.813 -2.514 5.316 1.00 0.00 H new ATOM 0 HB3 HIS A 46 0.168 -2.960 5.725 1.00 0.00 H new ATOM 0 HD1 HIS A 46 3.013 -2.556 7.488 1.00 0.00 H new ATOM 0 HD2 HIS A 46 0.651 -5.967 6.930 1.00 0.00 H new ATOM 0 HE1 HIS A 46 3.497 -4.088 9.451 1.00 0.00 H new ATOM 745 N LEU A 47 0.063 -6.423 3.929 1.00 0.00 N ATOM 746 CA LEU A 47 -0.971 -7.429 4.093 1.00 0.00 C ATOM 747 C LEU A 47 -0.869 -7.998 5.497 1.00 0.00 C ATOM 748 O LEU A 47 0.197 -7.944 6.111 1.00 0.00 O ATOM 749 CB LEU A 47 -0.838 -8.562 3.061 1.00 0.00 C ATOM 750 CG LEU A 47 -1.070 -8.174 1.595 1.00 0.00 C ATOM 751 CD1 LEU A 47 0.128 -7.430 1.019 1.00 0.00 C ATOM 752 CD2 LEU A 47 -1.379 -9.413 0.765 1.00 0.00 C ATOM 0 H LEU A 47 0.897 -6.745 3.437 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.942 -6.960 3.935 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.161 -8.989 3.148 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.545 -9.349 3.323 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.926 -7.500 1.557 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -0.071 -7.170 -0.021 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.302 -6.520 1.593 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.011 -8.066 1.072 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -1.542 -9.124 -0.273 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.541 -10.107 0.821 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -2.276 -9.896 1.152 1.00 0.00 H new ATOM 764 N ALA A 48 -1.955 -8.571 5.990 1.00 0.00 N ATOM 765 CA ALA A 48 -1.993 -9.122 7.345 1.00 0.00 C ATOM 766 C ALA A 48 -1.184 -10.416 7.446 1.00 0.00 C ATOM 767 O ALA A 48 -1.337 -11.185 8.392 1.00 0.00 O ATOM 768 CB ALA A 48 -3.434 -9.373 7.760 1.00 0.00 C ATOM 0 H ALA A 48 -2.829 -8.669 5.473 1.00 0.00 H new ATOM 0 HA ALA A 48 -1.542 -8.394 8.019 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -3.456 -9.783 8.770 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -3.988 -8.434 7.738 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -3.893 -10.082 7.071 1.00 0.00 H new ATOM 774 N GLN A 49 -0.319 -10.639 6.467 1.00 0.00 N ATOM 775 CA GLN A 49 0.469 -11.854 6.393 1.00 0.00 C ATOM 776 C GLN A 49 1.897 -11.523 5.974 1.00 0.00 C ATOM 777 O GLN A 49 2.856 -12.096 6.491 1.00 0.00 O ATOM 778 CB GLN A 49 -0.162 -12.854 5.411 1.00 0.00 C ATOM 779 CG GLN A 49 -1.583 -13.268 5.780 1.00 0.00 C ATOM 780 CD GLN A 49 -2.659 -12.554 4.972 1.00 0.00 C ATOM 781 OE1 GLN A 49 -3.746 -13.084 4.763 1.00 0.00 O ATOM 782 NE2 GLN A 49 -2.362 -11.354 4.499 1.00 0.00 N ATOM 0 H GLN A 49 -0.146 -9.983 5.705 1.00 0.00 H new ATOM 0 HA GLN A 49 0.489 -12.317 7.380 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -0.169 -12.414 4.414 1.00 0.00 H new ATOM 0 HB3 GLN A 49 0.464 -13.745 5.362 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -1.687 -14.343 5.637 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -1.746 -13.070 6.840 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -1.449 -10.942 4.691 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -3.046 -10.842 3.942 1.00 0.00 H new ATOM 791 N ARG A 50 2.025 -10.579 5.040 1.00 0.00 N ATOM 792 CA ARG A 50 3.328 -10.131 4.553 1.00 0.00 C ATOM 793 C ARG A 50 3.189 -8.811 3.801 1.00 0.00 C ATOM 794 O ARG A 50 2.096 -8.453 3.379 1.00 0.00 O ATOM 795 CB ARG A 50 3.986 -11.205 3.665 1.00 0.00 C ATOM 796 CG ARG A 50 3.039 -11.919 2.702 1.00 0.00 C ATOM 797 CD ARG A 50 2.651 -11.057 1.509 1.00 0.00 C ATOM 798 NE ARG A 50 1.750 -11.768 0.602 1.00 0.00 N ATOM 799 CZ ARG A 50 1.987 -11.958 -0.697 1.00 0.00 C ATOM 800 NH1 ARG A 50 3.127 -11.542 -1.238 1.00 0.00 N ATOM 801 NH2 ARG A 50 1.087 -12.578 -1.453 1.00 0.00 N ATOM 0 H ARG A 50 1.233 -10.107 4.603 1.00 0.00 H new ATOM 0 HA ARG A 50 3.978 -9.969 5.413 1.00 0.00 H new ATOM 0 HB2 ARG A 50 4.783 -10.738 3.087 1.00 0.00 H new ATOM 0 HB3 ARG A 50 4.454 -11.950 4.309 1.00 0.00 H new ATOM 0 HG2 ARG A 50 3.513 -12.833 2.345 1.00 0.00 H new ATOM 0 HG3 ARG A 50 2.138 -12.215 3.239 1.00 0.00 H new ATOM 0 HD2 ARG A 50 2.169 -10.144 1.860 1.00 0.00 H new ATOM 0 HD3 ARG A 50 3.549 -10.756 0.969 1.00 0.00 H new ATOM 0 HE ARG A 50 0.884 -12.143 0.988 1.00 0.00 H new ATOM 0 HH11 ARG A 50 3.825 -11.075 -0.660 1.00 0.00 H new ATOM 0 HH12 ARG A 50 3.304 -11.690 -2.232 1.00 0.00 H new ATOM 0 HH21 ARG A 50 0.215 -12.909 -1.040 1.00 0.00 H new ATOM 0 HH22 ARG A 50 1.268 -12.723 -2.446 1.00 0.00 H new ATOM 815 N SER A 51 4.285 -8.090 3.639 1.00 0.00 N ATOM 816 CA SER A 51 4.243 -6.789 2.984 1.00 0.00 C ATOM 817 C SER A 51 4.977 -6.825 1.645 1.00 0.00 C ATOM 818 O SER A 51 6.068 -7.387 1.539 1.00 0.00 O ATOM 819 CB SER A 51 4.853 -5.726 3.898 1.00 0.00 C ATOM 820 OG SER A 51 4.230 -5.732 5.174 1.00 0.00 O ATOM 0 H SER A 51 5.212 -8.380 3.950 1.00 0.00 H new ATOM 0 HA SER A 51 3.201 -6.535 2.788 1.00 0.00 H new ATOM 0 HB2 SER A 51 5.922 -5.908 4.011 1.00 0.00 H new ATOM 0 HB3 SER A 51 4.744 -4.743 3.441 1.00 0.00 H new ATOM 0 HG SER A 51 4.638 -5.045 5.741 1.00 0.00 H new ATOM 826 N ILE A 52 4.362 -6.227 0.629 1.00 0.00 N ATOM 827 CA ILE A 52 4.921 -6.193 -0.720 1.00 0.00 C ATOM 828 C ILE A 52 5.360 -4.772 -1.069 1.00 0.00 C ATOM 829 O ILE A 52 4.721 -3.811 -0.653 1.00 0.00 O ATOM 830 CB ILE A 52 3.880 -6.675 -1.758 1.00 0.00 C ATOM 831 CG1 ILE A 52 3.299 -8.027 -1.336 1.00 0.00 C ATOM 832 CG2 ILE A 52 4.502 -6.769 -3.144 1.00 0.00 C ATOM 833 CD1 ILE A 52 2.187 -8.517 -2.241 1.00 0.00 C ATOM 0 H ILE A 52 3.463 -5.753 0.717 1.00 0.00 H new ATOM 0 HA ILE A 52 5.782 -6.860 -0.747 1.00 0.00 H new ATOM 0 HB ILE A 52 3.071 -5.945 -1.799 1.00 0.00 H new ATOM 0 HG12 ILE A 52 4.098 -8.768 -1.322 1.00 0.00 H new ATOM 0 HG13 ILE A 52 2.919 -7.948 -0.317 1.00 0.00 H new ATOM 0 HG21 ILE A 52 3.752 -7.110 -3.857 1.00 0.00 H new ATOM 0 HG22 ILE A 52 4.870 -5.788 -3.445 1.00 0.00 H new ATOM 0 HG23 ILE A 52 5.331 -7.477 -3.124 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.823 -9.480 -1.882 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.370 -7.796 -2.237 1.00 0.00 H new ATOM 0 HD13 ILE A 52 2.567 -8.629 -3.257 1.00 0.00 H new ATOM 845 N CYS A 53 6.424 -4.633 -1.848 1.00 0.00 N ATOM 846 CA CYS A 53 6.954 -3.313 -2.172 1.00 0.00 C ATOM 847 C CYS A 53 6.540 -2.895 -3.577 1.00 0.00 C ATOM 848 O CYS A 53 6.793 -3.606 -4.549 1.00 0.00 O ATOM 849 CB CYS A 53 8.480 -3.306 -2.061 1.00 0.00 C ATOM 850 SG CYS A 53 9.231 -1.675 -2.365 1.00 0.00 S ATOM 0 H CYS A 53 6.935 -5.411 -2.265 1.00 0.00 H new ATOM 0 HA CYS A 53 6.542 -2.601 -1.457 1.00 0.00 H new ATOM 0 HB2 CYS A 53 8.764 -3.647 -1.065 1.00 0.00 H new ATOM 0 HB3 CYS A 53 8.890 -4.023 -2.772 1.00 0.00 H new ATOM 855 N ILE A 54 5.906 -1.736 -3.679 1.00 0.00 N ATOM 856 CA ILE A 54 5.399 -1.244 -4.949 1.00 0.00 C ATOM 857 C ILE A 54 5.940 0.158 -5.256 1.00 0.00 C ATOM 858 O ILE A 54 6.206 0.951 -4.350 1.00 0.00 O ATOM 859 CB ILE A 54 3.845 -1.255 -4.956 1.00 0.00 C ATOM 860 CG1 ILE A 54 3.330 -2.406 -5.823 1.00 0.00 C ATOM 861 CG2 ILE A 54 3.266 0.075 -5.419 1.00 0.00 C ATOM 862 CD1 ILE A 54 1.819 -2.510 -5.858 1.00 0.00 C ATOM 0 H ILE A 54 5.730 -1.115 -2.889 1.00 0.00 H new ATOM 0 HA ILE A 54 5.750 -1.912 -5.736 1.00 0.00 H new ATOM 0 HB ILE A 54 3.510 -1.407 -3.930 1.00 0.00 H new ATOM 0 HG12 ILE A 54 3.701 -2.278 -6.840 1.00 0.00 H new ATOM 0 HG13 ILE A 54 3.742 -3.344 -5.450 1.00 0.00 H new ATOM 0 HG21 ILE A 54 2.177 0.021 -5.408 1.00 0.00 H new ATOM 0 HG22 ILE A 54 3.597 0.869 -4.749 1.00 0.00 H new ATOM 0 HG23 ILE A 54 3.609 0.288 -6.432 1.00 0.00 H new ATOM 0 HD11 ILE A 54 1.527 -3.348 -6.491 1.00 0.00 H new ATOM 0 HD12 ILE A 54 1.442 -2.670 -4.848 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.400 -1.588 -6.260 1.00 0.00 H new ATOM 874 N HIS A 55 6.138 0.433 -6.540 1.00 0.00 N ATOM 875 CA HIS A 55 6.567 1.750 -6.997 1.00 0.00 C ATOM 876 C HIS A 55 5.443 2.765 -6.770 1.00 0.00 C ATOM 877 O HIS A 55 4.298 2.486 -7.100 1.00 0.00 O ATOM 878 CB HIS A 55 6.921 1.679 -8.490 1.00 0.00 C ATOM 879 CG HIS A 55 7.509 2.936 -9.054 1.00 0.00 C ATOM 880 ND1 HIS A 55 8.584 3.660 -8.670 1.00 0.00 N flip ATOM 881 CD2 HIS A 55 6.990 3.579 -10.154 1.00 0.00 C flip ATOM 882 CE1 HIS A 55 8.691 4.723 -9.530 1.00 0.00 C flip ATOM 883 NE2 HIS A 55 7.716 4.649 -10.416 1.00 0.00 N flip ATOM 0 H HIS A 55 6.007 -0.246 -7.290 1.00 0.00 H new ATOM 0 HA HIS A 55 7.446 2.066 -6.435 1.00 0.00 H new ATOM 0 HB2 HIS A 55 7.627 0.863 -8.644 1.00 0.00 H new ATOM 0 HB3 HIS A 55 6.020 1.431 -9.052 1.00 0.00 H new ATOM 0 HD1 HIS A 55 9.202 3.454 -7.885 1.00 0.00 H new ATOM 0 HD2 HIS A 55 6.124 3.258 -10.715 1.00 0.00 H new ATOM 0 HE1 HIS A 55 9.448 5.493 -9.489 1.00 0.00 H new ATOM 892 N PRO A 56 5.748 3.945 -6.198 1.00 0.00 N ATOM 893 CA PRO A 56 4.741 4.987 -5.942 1.00 0.00 C ATOM 894 C PRO A 56 3.873 5.277 -7.161 1.00 0.00 C ATOM 895 O PRO A 56 2.648 5.363 -7.061 1.00 0.00 O ATOM 896 CB PRO A 56 5.588 6.205 -5.581 1.00 0.00 C ATOM 897 CG PRO A 56 6.819 5.628 -4.982 1.00 0.00 C ATOM 898 CD PRO A 56 7.087 4.357 -5.738 1.00 0.00 C ATOM 0 HA PRO A 56 4.035 4.692 -5.165 1.00 0.00 H new ATOM 0 HB2 PRO A 56 5.817 6.806 -6.461 1.00 0.00 H new ATOM 0 HB3 PRO A 56 5.070 6.856 -4.877 1.00 0.00 H new ATOM 0 HG2 PRO A 56 7.657 6.319 -5.070 1.00 0.00 H new ATOM 0 HG3 PRO A 56 6.680 5.429 -3.919 1.00 0.00 H new ATOM 0 HD2 PRO A 56 7.766 4.522 -6.574 1.00 0.00 H new ATOM 0 HD3 PRO A 56 7.544 3.599 -5.101 1.00 0.00 H new ATOM 906 N GLN A 57 4.512 5.434 -8.307 1.00 0.00 N ATOM 907 CA GLN A 57 3.799 5.589 -9.561 1.00 0.00 C ATOM 908 C GLN A 57 3.422 4.214 -10.101 1.00 0.00 C ATOM 909 O GLN A 57 4.107 3.659 -10.965 1.00 0.00 O ATOM 910 CB GLN A 57 4.641 6.354 -10.591 1.00 0.00 C ATOM 911 CG GLN A 57 4.947 7.801 -10.214 1.00 0.00 C ATOM 912 CD GLN A 57 5.856 7.931 -9.004 1.00 0.00 C ATOM 913 OE1 GLN A 57 6.687 7.062 -8.737 1.00 0.00 O ATOM 914 NE2 GLN A 57 5.716 9.024 -8.273 1.00 0.00 N ATOM 0 H GLN A 57 5.528 5.457 -8.394 1.00 0.00 H new ATOM 0 HA GLN A 57 2.895 6.170 -9.377 1.00 0.00 H new ATOM 0 HB2 GLN A 57 5.582 5.824 -10.737 1.00 0.00 H new ATOM 0 HB3 GLN A 57 4.118 6.344 -11.547 1.00 0.00 H new ATOM 0 HG2 GLN A 57 5.413 8.299 -11.064 1.00 0.00 H new ATOM 0 HG3 GLN A 57 4.011 8.322 -10.013 1.00 0.00 H new ATOM 0 HE21 GLN A 57 5.016 9.721 -8.527 1.00 0.00 H new ATOM 0 HE22 GLN A 57 6.308 9.170 -7.455 1.00 0.00 H new ATOM 923 N ASN A 58 2.372 3.646 -9.528 1.00 0.00 N ATOM 924 CA ASN A 58 1.873 2.344 -9.937 1.00 0.00 C ATOM 925 C ASN A 58 0.350 2.319 -9.862 1.00 0.00 C ATOM 926 O ASN A 58 -0.238 2.749 -8.865 1.00 0.00 O ATOM 927 CB ASN A 58 2.462 1.251 -9.042 1.00 0.00 C ATOM 928 CG ASN A 58 1.941 -0.130 -9.378 1.00 0.00 C ATOM 929 OD1 ASN A 58 0.935 -0.569 -8.832 1.00 0.00 O ATOM 930 ND2 ASN A 58 2.622 -0.825 -10.275 1.00 0.00 N ATOM 0 H ASN A 58 1.843 4.074 -8.768 1.00 0.00 H new ATOM 0 HA ASN A 58 2.177 2.158 -10.967 1.00 0.00 H new ATOM 0 HB2 ASN A 58 3.548 1.257 -9.137 1.00 0.00 H new ATOM 0 HB3 ASN A 58 2.231 1.477 -8.001 1.00 0.00 H new ATOM 0 HD21 ASN A 58 2.314 -1.762 -10.535 1.00 0.00 H new ATOM 0 HD22 ASN A 58 3.454 -0.423 -10.707 1.00 0.00 H new ATOM 937 N PRO A 59 -0.305 1.818 -10.919 1.00 0.00 N ATOM 938 CA PRO A 59 -1.768 1.788 -11.012 1.00 0.00 C ATOM 939 C PRO A 59 -2.419 0.982 -9.889 1.00 0.00 C ATOM 940 O PRO A 59 -3.471 1.362 -9.374 1.00 0.00 O ATOM 941 CB PRO A 59 -2.032 1.123 -12.370 1.00 0.00 C ATOM 942 CG PRO A 59 -0.766 0.419 -12.716 1.00 0.00 C ATOM 943 CD PRO A 59 0.331 1.242 -12.114 1.00 0.00 C ATOM 0 HA PRO A 59 -2.193 2.788 -10.920 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -2.867 0.425 -12.310 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -2.290 1.864 -13.127 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -0.760 -0.595 -12.316 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -0.646 0.336 -13.796 1.00 0.00 H new ATOM 0 HD2 PRO A 59 1.197 0.633 -11.856 1.00 0.00 H new ATOM 0 HD3 PRO A 59 0.678 2.016 -12.799 1.00 0.00 H new ATOM 951 N SER A 60 -1.776 -0.109 -9.490 1.00 0.00 N ATOM 952 CA SER A 60 -2.342 -1.015 -8.501 1.00 0.00 C ATOM 953 C SER A 60 -2.411 -0.371 -7.117 1.00 0.00 C ATOM 954 O SER A 60 -3.341 -0.630 -6.360 1.00 0.00 O ATOM 955 CB SER A 60 -1.535 -2.309 -8.451 1.00 0.00 C ATOM 956 OG SER A 60 -1.462 -2.903 -9.737 1.00 0.00 O ATOM 0 H SER A 60 -0.859 -0.387 -9.839 1.00 0.00 H new ATOM 0 HA SER A 60 -3.364 -1.244 -8.804 1.00 0.00 H new ATOM 0 HB2 SER A 60 -0.530 -2.103 -8.082 1.00 0.00 H new ATOM 0 HB3 SER A 60 -1.996 -3.004 -7.749 1.00 0.00 H new ATOM 0 HG SER A 60 -1.931 -3.764 -9.727 1.00 0.00 H new ATOM 962 N LEU A 61 -1.441 0.475 -6.791 1.00 0.00 N ATOM 963 CA LEU A 61 -1.456 1.171 -5.508 1.00 0.00 C ATOM 964 C LEU A 61 -2.507 2.280 -5.542 1.00 0.00 C ATOM 965 O LEU A 61 -3.201 2.522 -4.561 1.00 0.00 O ATOM 966 CB LEU A 61 -0.077 1.763 -5.186 1.00 0.00 C ATOM 967 CG LEU A 61 0.362 1.685 -3.715 1.00 0.00 C ATOM 968 CD1 LEU A 61 -0.602 2.428 -2.808 1.00 0.00 C ATOM 969 CD2 LEU A 61 0.497 0.242 -3.269 1.00 0.00 C ATOM 0 H LEU A 61 -0.643 0.695 -7.388 1.00 0.00 H new ATOM 0 HA LEU A 61 -1.706 0.454 -4.726 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.668 1.250 -5.795 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.072 2.809 -5.491 1.00 0.00 H new ATOM 0 HG LEU A 61 1.337 2.167 -3.638 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.261 2.352 -1.775 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -0.642 3.477 -3.101 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.596 1.989 -2.895 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.809 0.212 -2.225 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.463 -0.263 -3.376 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.242 -0.261 -3.885 1.00 0.00 H new ATOM 981 N SER A 62 -2.635 2.935 -6.686 1.00 0.00 N ATOM 982 CA SER A 62 -3.579 4.038 -6.834 1.00 0.00 C ATOM 983 C SER A 62 -5.026 3.537 -6.781 1.00 0.00 C ATOM 984 O SER A 62 -5.869 4.083 -6.041 1.00 0.00 O ATOM 985 CB SER A 62 -3.309 4.784 -8.145 1.00 0.00 C ATOM 986 OG SER A 62 -4.165 5.907 -8.293 1.00 0.00 O ATOM 0 H SER A 62 -2.098 2.724 -7.527 1.00 0.00 H new ATOM 0 HA SER A 62 -3.439 4.728 -6.002 1.00 0.00 H new ATOM 0 HB2 SER A 62 -2.270 5.112 -8.170 1.00 0.00 H new ATOM 0 HB3 SER A 62 -3.450 4.105 -8.986 1.00 0.00 H new ATOM 0 HG SER A 62 -3.966 6.361 -9.138 1.00 0.00 H new ATOM 992 N GLN A 63 -5.320 2.488 -7.546 1.00 0.00 N ATOM 993 CA GLN A 63 -6.636 1.875 -7.487 1.00 0.00 C ATOM 994 C GLN A 63 -6.880 1.376 -6.072 1.00 0.00 C ATOM 995 O GLN A 63 -8.015 1.340 -5.600 1.00 0.00 O ATOM 996 CB GLN A 63 -6.769 0.718 -8.485 1.00 0.00 C ATOM 997 CG GLN A 63 -5.959 -0.514 -8.113 1.00 0.00 C ATOM 998 CD GLN A 63 -6.201 -1.701 -9.031 1.00 0.00 C ATOM 999 OE1 GLN A 63 -6.487 -1.436 -10.295 1.00 0.00 O flip ATOM 1000 NE2 GLN A 63 -6.127 -2.852 -8.600 1.00 0.00 N flip ATOM 0 H GLN A 63 -4.673 2.053 -8.203 1.00 0.00 H new ATOM 0 HA GLN A 63 -7.381 2.623 -7.758 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -7.820 0.439 -8.565 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -6.455 1.063 -9.470 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -4.899 -0.261 -8.132 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -6.200 -0.802 -7.090 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -5.904 -3.016 -7.618 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -6.289 -3.642 -9.225 1.00 0.00 H new ATOM 1009 N TRP A 64 -5.791 1.023 -5.392 1.00 0.00 N ATOM 1010 CA TRP A 64 -5.866 0.541 -4.032 1.00 0.00 C ATOM 1011 C TRP A 64 -6.323 1.640 -3.093 1.00 0.00 C ATOM 1012 O TRP A 64 -7.011 1.365 -2.127 1.00 0.00 O ATOM 1013 CB TRP A 64 -4.525 -0.024 -3.565 1.00 0.00 C ATOM 1014 CG TRP A 64 -4.648 -0.769 -2.274 1.00 0.00 C ATOM 1015 CD1 TRP A 64 -3.912 -0.587 -1.140 1.00 0.00 C ATOM 1016 CD2 TRP A 64 -5.602 -1.794 -1.972 1.00 0.00 C ATOM 1017 NE1 TRP A 64 -4.340 -1.444 -0.158 1.00 0.00 N ATOM 1018 CE2 TRP A 64 -5.376 -2.192 -0.644 1.00 0.00 C ATOM 1019 CE3 TRP A 64 -6.623 -2.416 -2.697 1.00 0.00 C ATOM 1020 CZ2 TRP A 64 -6.135 -3.177 -0.026 1.00 0.00 C ATOM 1021 CZ3 TRP A 64 -7.375 -3.392 -2.081 1.00 0.00 C ATOM 1022 CH2 TRP A 64 -7.128 -3.764 -0.759 1.00 0.00 C ATOM 0 H TRP A 64 -4.845 1.066 -5.771 1.00 0.00 H new ATOM 0 HA TRP A 64 -6.600 -0.264 -4.013 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -4.126 -0.689 -4.331 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -3.810 0.790 -3.447 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -3.109 0.127 -1.031 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -3.949 -1.512 0.782 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -6.819 -2.136 -3.722 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -5.947 -3.469 0.997 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -8.168 -3.877 -2.630 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -7.735 -4.533 -0.305 1.00 0.00 H new ATOM 1033 N PHE A 65 -5.969 2.885 -3.388 1.00 0.00 N ATOM 1034 CA PHE A 65 -6.447 4.010 -2.592 1.00 0.00 C ATOM 1035 C PHE A 65 -7.963 3.939 -2.480 1.00 0.00 C ATOM 1036 O PHE A 65 -8.523 3.867 -1.382 1.00 0.00 O ATOM 1037 CB PHE A 65 -6.063 5.348 -3.245 1.00 0.00 C ATOM 1038 CG PHE A 65 -4.699 5.878 -2.884 1.00 0.00 C ATOM 1039 CD1 PHE A 65 -3.552 5.173 -3.202 1.00 0.00 C ATOM 1040 CD2 PHE A 65 -4.568 7.103 -2.244 1.00 0.00 C ATOM 1041 CE1 PHE A 65 -2.302 5.674 -2.887 1.00 0.00 C ATOM 1042 CE2 PHE A 65 -3.321 7.604 -1.926 1.00 0.00 C ATOM 1043 CZ PHE A 65 -2.187 6.890 -2.247 1.00 0.00 C ATOM 0 H PHE A 65 -5.359 3.140 -4.164 1.00 0.00 H new ATOM 0 HA PHE A 65 -5.986 3.952 -1.606 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -6.114 5.232 -4.328 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -6.808 6.094 -2.969 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -3.634 4.219 -3.702 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -5.451 7.671 -1.992 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -1.415 5.113 -3.142 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -3.234 8.557 -1.425 1.00 0.00 H new ATOM 0 HZ PHE A 65 -1.212 7.281 -1.998 1.00 0.00 H new ATOM 1053 N GLU A 66 -8.624 3.894 -3.623 1.00 0.00 N ATOM 1054 CA GLU A 66 -10.081 3.895 -3.629 1.00 0.00 C ATOM 1055 C GLU A 66 -10.653 2.532 -3.231 1.00 0.00 C ATOM 1056 O GLU A 66 -11.690 2.450 -2.560 1.00 0.00 O ATOM 1057 CB GLU A 66 -10.602 4.319 -4.997 1.00 0.00 C ATOM 1058 CG GLU A 66 -10.184 5.728 -5.384 1.00 0.00 C ATOM 1059 CD GLU A 66 -10.754 6.149 -6.719 1.00 0.00 C ATOM 1060 OE1 GLU A 66 -11.879 6.692 -6.750 1.00 0.00 O ATOM 1061 OE2 GLU A 66 -10.088 5.927 -7.747 1.00 0.00 O ATOM 0 H GLU A 66 -8.188 3.857 -4.544 1.00 0.00 H new ATOM 0 HA GLU A 66 -10.416 4.616 -2.883 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.239 3.619 -5.750 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -11.690 4.255 -5.000 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -10.513 6.426 -4.614 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -9.096 5.784 -5.422 1.00 0.00 H new ATOM 1068 N HIS A 67 -9.968 1.465 -3.621 1.00 0.00 N ATOM 1069 CA HIS A 67 -10.464 0.117 -3.364 1.00 0.00 C ATOM 1070 C HIS A 67 -10.265 -0.286 -1.909 1.00 0.00 C ATOM 1071 O HIS A 67 -11.079 -1.012 -1.363 1.00 0.00 O ATOM 1072 CB HIS A 67 -9.812 -0.906 -4.299 1.00 0.00 C ATOM 1073 CG HIS A 67 -10.235 -0.755 -5.729 1.00 0.00 C ATOM 1074 ND1 HIS A 67 -9.638 -1.428 -6.772 1.00 0.00 N ATOM 1075 CD2 HIS A 67 -11.198 0.015 -6.286 1.00 0.00 C ATOM 1076 CE1 HIS A 67 -10.213 -1.076 -7.906 1.00 0.00 C ATOM 1077 NE2 HIS A 67 -11.163 -0.203 -7.637 1.00 0.00 N ATOM 0 H HIS A 67 -9.075 1.504 -4.112 1.00 0.00 H new ATOM 0 HA HIS A 67 -11.535 0.127 -3.566 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -8.728 -0.807 -4.235 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -10.061 -1.911 -3.958 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -11.870 0.679 -5.762 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -9.950 -1.441 -8.888 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -11.774 0.239 -8.324 1.00 0.00 H new ATOM 1086 N GLN A 68 -9.197 0.190 -1.285 1.00 0.00 N ATOM 1087 CA GLN A 68 -8.950 -0.080 0.128 1.00 0.00 C ATOM 1088 C GLN A 68 -9.971 0.644 0.997 1.00 0.00 C ATOM 1089 O GLN A 68 -10.364 0.146 2.053 1.00 0.00 O ATOM 1090 CB GLN A 68 -7.518 0.318 0.492 1.00 0.00 C ATOM 1091 CG GLN A 68 -7.270 0.569 1.965 1.00 0.00 C ATOM 1092 CD GLN A 68 -5.794 0.531 2.299 1.00 0.00 C ATOM 1093 OE1 GLN A 68 -5.250 -0.510 2.668 1.00 0.00 O ATOM 1094 NE2 GLN A 68 -5.127 1.657 2.140 1.00 0.00 N ATOM 0 H GLN A 68 -8.485 0.766 -1.734 1.00 0.00 H new ATOM 0 HA GLN A 68 -9.062 -1.148 0.314 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -6.843 -0.469 0.156 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -7.257 1.220 -0.062 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -7.681 1.539 2.243 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -7.796 -0.181 2.556 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -5.614 2.499 1.833 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -4.124 1.686 2.324 1.00 0.00 H new ATOM 1103 N GLU A 69 -10.422 1.807 0.530 1.00 0.00 N ATOM 1104 CA GLU A 69 -11.500 2.528 1.200 1.00 0.00 C ATOM 1105 C GLU A 69 -12.764 1.665 1.252 1.00 0.00 C ATOM 1106 O GLU A 69 -13.540 1.728 2.212 1.00 0.00 O ATOM 1107 CB GLU A 69 -11.800 3.848 0.474 1.00 0.00 C ATOM 1108 CG GLU A 69 -12.952 4.630 1.090 1.00 0.00 C ATOM 1109 CD GLU A 69 -13.353 5.841 0.273 1.00 0.00 C ATOM 1110 OE1 GLU A 69 -13.770 5.666 -0.893 1.00 0.00 O ATOM 1111 OE2 GLU A 69 -13.286 6.972 0.800 1.00 0.00 O ATOM 0 H GLU A 69 -10.059 2.267 -0.305 1.00 0.00 H new ATOM 0 HA GLU A 69 -11.180 2.753 2.218 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -10.904 4.469 0.481 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -12.032 3.635 -0.569 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -13.813 3.971 1.198 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -12.669 4.953 2.092 1.00 0.00 H new ATOM 1118 N ARG A 70 -12.951 0.839 0.224 1.00 0.00 N ATOM 1119 CA ARG A 70 -14.149 0.007 0.120 1.00 0.00 C ATOM 1120 C ARG A 70 -13.835 -1.480 0.308 1.00 0.00 C ATOM 1121 O ARG A 70 -14.652 -2.342 -0.019 1.00 0.00 O ATOM 1122 CB ARG A 70 -14.826 0.219 -1.233 1.00 0.00 C ATOM 1123 CG ARG A 70 -13.914 -0.043 -2.417 1.00 0.00 C ATOM 1124 CD ARG A 70 -14.693 -0.068 -3.714 1.00 0.00 C ATOM 1125 NE ARG A 70 -15.658 -1.160 -3.739 1.00 0.00 N ATOM 1126 CZ ARG A 70 -16.915 -1.039 -4.163 1.00 0.00 C ATOM 1127 NH1 ARG A 70 -17.377 0.138 -4.577 1.00 0.00 N ATOM 1128 NH2 ARG A 70 -17.708 -2.100 -4.161 1.00 0.00 N ATOM 0 H ARG A 70 -12.291 0.728 -0.546 1.00 0.00 H new ATOM 0 HA ARG A 70 -14.822 0.312 0.921 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -15.694 -0.436 -1.302 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -15.195 1.243 -1.289 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -13.146 0.729 -2.466 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -13.400 -0.995 -2.280 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -15.213 0.881 -3.845 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -14.003 -0.172 -4.552 1.00 0.00 H new ATOM 0 HE ARG A 70 -15.351 -2.076 -3.411 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -16.767 0.956 -4.571 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -18.341 0.223 -4.900 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -17.355 -3.000 -3.837 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -18.672 -2.017 -4.484 1.00 0.00 H new ATOM 1142 N LYS A 71 -12.666 -1.785 0.847 1.00 0.00 N ATOM 1143 CA LYS A 71 -12.275 -3.172 1.066 1.00 0.00 C ATOM 1144 C LYS A 71 -11.759 -3.319 2.493 1.00 0.00 C ATOM 1145 O LYS A 71 -12.098 -2.495 3.347 1.00 0.00 O ATOM 1146 CB LYS A 71 -11.211 -3.590 0.041 1.00 0.00 C ATOM 1147 CG LYS A 71 -11.275 -5.056 -0.369 1.00 0.00 C ATOM 1148 CD LYS A 71 -10.278 -5.366 -1.475 1.00 0.00 C ATOM 1149 CE LYS A 71 -10.666 -4.704 -2.790 1.00 0.00 C ATOM 1150 NZ LYS A 71 -11.777 -5.419 -3.473 1.00 0.00 N ATOM 0 H LYS A 71 -11.973 -1.097 1.140 1.00 0.00 H new ATOM 0 HA LYS A 71 -13.135 -3.829 0.933 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -11.319 -2.971 -0.850 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -10.224 -3.384 0.455 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -11.069 -5.687 0.496 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -12.283 -5.297 -0.707 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -9.286 -5.026 -1.176 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -10.216 -6.445 -1.616 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -10.962 -3.672 -2.602 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -9.798 -4.672 -3.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -12.154 -4.824 -4.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -11.422 -6.312 -3.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -12.532 -5.622 -2.788 1.00 0.00 H new ATOM 1164 N LEU A 72 -10.934 -4.345 2.745 1.00 0.00 N ATOM 1165 CA LEU A 72 -10.422 -4.634 4.085 1.00 0.00 C ATOM 1166 C LEU A 72 -11.562 -4.975 5.044 1.00 0.00 C ATOM 1167 O LEU A 72 -11.850 -6.144 5.301 1.00 0.00 O ATOM 1168 CB LEU A 72 -9.616 -3.447 4.637 1.00 0.00 C ATOM 1169 CG LEU A 72 -8.231 -3.202 4.023 1.00 0.00 C ATOM 1170 CD1 LEU A 72 -8.297 -3.058 2.513 1.00 0.00 C ATOM 1171 CD2 LEU A 72 -7.627 -1.954 4.628 1.00 0.00 C ATOM 0 H LEU A 72 -10.606 -4.992 2.028 1.00 0.00 H new ATOM 0 HA LEU A 72 -9.761 -5.497 4.003 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -10.210 -2.543 4.505 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -9.490 -3.592 5.710 1.00 0.00 H new ATOM 0 HG LEU A 72 -7.608 -4.068 4.245 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -7.295 -2.886 2.120 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -8.706 -3.970 2.078 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -8.938 -2.215 2.256 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -6.643 -1.778 4.193 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -8.273 -1.100 4.422 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -7.529 -2.083 5.706 1.00 0.00 H new ATOM 1183 N HIS A 73 -12.210 -3.939 5.547 1.00 0.00 N ATOM 1184 CA HIS A 73 -13.287 -4.075 6.510 1.00 0.00 C ATOM 1185 C HIS A 73 -14.108 -2.783 6.504 1.00 0.00 C ATOM 1186 O HIS A 73 -14.952 -2.559 7.368 1.00 0.00 O ATOM 1187 CB HIS A 73 -12.685 -4.340 7.903 1.00 0.00 C ATOM 1188 CG HIS A 73 -13.655 -4.831 8.941 1.00 0.00 C ATOM 1189 ND1 HIS A 73 -13.760 -6.155 9.299 1.00 0.00 N ATOM 1190 CD2 HIS A 73 -14.535 -4.165 9.724 1.00 0.00 C ATOM 1191 CE1 HIS A 73 -14.663 -6.283 10.252 1.00 0.00 C ATOM 1192 NE2 HIS A 73 -15.148 -5.089 10.530 1.00 0.00 N ATOM 0 H HIS A 73 -12.001 -2.973 5.296 1.00 0.00 H new ATOM 0 HA HIS A 73 -13.938 -4.910 6.252 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -11.885 -5.074 7.801 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -12.228 -3.419 8.264 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -14.720 -3.101 9.715 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -14.955 -7.209 10.725 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -15.862 -4.886 11.230 1.00 0.00 H new ATOM 1201 N GLY A 74 -13.865 -1.944 5.497 1.00 0.00 N ATOM 1202 CA GLY A 74 -14.429 -0.606 5.493 1.00 0.00 C ATOM 1203 C GLY A 74 -13.898 0.193 6.659 1.00 0.00 C ATOM 1204 O GLY A 74 -14.655 0.687 7.495 1.00 0.00 O ATOM 0 H GLY A 74 -13.288 -2.168 4.686 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -14.183 -0.104 4.558 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -15.516 -0.663 5.548 1.00 0.00 H new ATOM 1208 N THR A 75 -12.585 0.311 6.707 1.00 0.00 N ATOM 1209 CA THR A 75 -11.891 0.810 7.873 1.00 0.00 C ATOM 1210 C THR A 75 -11.518 2.280 7.749 1.00 0.00 C ATOM 1211 O THR A 75 -11.952 2.979 6.826 1.00 0.00 O ATOM 1212 CB THR A 75 -10.607 -0.011 8.083 1.00 0.00 C ATOM 1213 OG1 THR A 75 -9.881 -0.086 6.846 1.00 0.00 O ATOM 1214 CG2 THR A 75 -10.934 -1.411 8.559 1.00 0.00 C ATOM 0 H THR A 75 -11.969 0.062 5.933 1.00 0.00 H new ATOM 0 HA THR A 75 -12.568 0.711 8.721 1.00 0.00 H new ATOM 0 HB THR A 75 -10.001 0.482 8.843 1.00 0.00 H new ATOM 0 HG1 THR A 75 -9.062 -0.607 6.979 1.00 0.00 H new ATOM 0 HG21 THR A 75 -10.010 -1.972 8.700 1.00 0.00 H new ATOM 0 HG22 THR A 75 -11.474 -1.357 9.504 1.00 0.00 H new ATOM 0 HG23 THR A 75 -11.553 -1.913 7.815 1.00 0.00 H new ATOM 1222 N LEU A 76 -10.726 2.721 8.722 1.00 0.00 N ATOM 1223 CA LEU A 76 -10.096 4.034 8.729 1.00 0.00 C ATOM 1224 C LEU A 76 -11.049 5.149 9.130 1.00 0.00 C ATOM 1225 O LEU A 76 -12.232 5.153 8.779 1.00 0.00 O ATOM 1226 CB LEU A 76 -9.436 4.335 7.385 1.00 0.00 C ATOM 1227 CG LEU A 76 -8.279 3.403 7.038 1.00 0.00 C ATOM 1228 CD1 LEU A 76 -7.720 3.737 5.668 1.00 0.00 C ATOM 1229 CD2 LEU A 76 -7.201 3.499 8.108 1.00 0.00 C ATOM 0 H LEU A 76 -10.501 2.162 9.545 1.00 0.00 H new ATOM 0 HA LEU A 76 -9.322 3.998 9.496 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -10.189 4.270 6.600 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -9.071 5.362 7.393 1.00 0.00 H new ATOM 0 HG LEU A 76 -8.645 2.377 7.007 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -6.896 3.062 5.437 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -8.503 3.623 4.918 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -7.359 4.766 5.663 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -6.377 2.831 7.855 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -6.834 4.524 8.164 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -7.619 3.211 9.072 1.00 0.00 H new ATOM 1241 N PRO A 77 -10.507 6.115 9.876 1.00 0.00 N ATOM 1242 CA PRO A 77 -11.248 7.269 10.393 1.00 0.00 C ATOM 1243 C PRO A 77 -11.416 8.352 9.330 1.00 0.00 C ATOM 1244 O PRO A 77 -11.406 8.056 8.129 1.00 0.00 O ATOM 1245 CB PRO A 77 -10.321 7.750 11.510 1.00 0.00 C ATOM 1246 CG PRO A 77 -8.962 7.472 10.990 1.00 0.00 C ATOM 1247 CD PRO A 77 -9.084 6.162 10.266 1.00 0.00 C ATOM 0 HA PRO A 77 -12.261 7.030 10.715 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -10.461 8.811 11.716 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -10.509 7.217 12.442 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -8.626 8.264 10.320 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -8.235 7.409 11.799 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -8.428 6.121 9.396 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -8.816 5.322 10.907 1.00 0.00 H new ATOM 1255 N LYS A 78 -11.582 9.600 9.763 1.00 0.00 N ATOM 1256 CA LYS A 78 -11.573 10.725 8.841 1.00 0.00 C ATOM 1257 C LYS A 78 -10.165 10.982 8.336 1.00 0.00 C ATOM 1258 O LYS A 78 -9.474 11.879 8.815 1.00 0.00 O ATOM 1259 CB LYS A 78 -12.112 12.001 9.489 1.00 0.00 C ATOM 1260 CG LYS A 78 -13.627 12.100 9.516 1.00 0.00 C ATOM 1261 CD LYS A 78 -14.211 11.974 8.119 1.00 0.00 C ATOM 1262 CE LYS A 78 -15.644 12.480 8.053 1.00 0.00 C ATOM 1263 NZ LYS A 78 -16.540 11.799 9.025 1.00 0.00 N ATOM 0 H LYS A 78 -11.723 9.853 10.741 1.00 0.00 H new ATOM 0 HA LYS A 78 -12.226 10.461 8.009 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -11.738 12.061 10.511 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -11.713 12.862 8.953 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -14.034 11.316 10.155 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -13.924 13.054 9.953 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -13.595 12.536 7.417 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -14.180 10.930 7.806 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -15.655 13.553 8.245 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -16.031 12.333 7.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -17.523 12.095 8.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -16.463 10.769 8.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -16.261 12.057 9.993 1.00 0.00 H new ATOM 1277 N LEU A 79 -9.728 10.168 7.400 1.00 0.00 N ATOM 1278 CA LEU A 79 -8.419 10.342 6.819 1.00 0.00 C ATOM 1279 C LEU A 79 -8.519 11.121 5.528 1.00 0.00 C ATOM 1280 O LEU A 79 -9.446 10.936 4.741 1.00 0.00 O ATOM 1281 CB LEU A 79 -7.737 8.997 6.583 1.00 0.00 C ATOM 1282 CG LEU A 79 -7.375 8.230 7.852 1.00 0.00 C ATOM 1283 CD1 LEU A 79 -6.615 6.964 7.509 1.00 0.00 C ATOM 1284 CD2 LEU A 79 -6.556 9.105 8.789 1.00 0.00 C ATOM 0 H LEU A 79 -10.260 9.382 7.027 1.00 0.00 H new ATOM 0 HA LEU A 79 -7.807 10.907 7.523 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -8.393 8.375 5.974 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -6.828 9.163 6.004 1.00 0.00 H new ATOM 0 HG LEU A 79 -8.298 7.951 8.360 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -6.365 6.430 8.426 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -7.234 6.328 6.876 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -5.699 7.222 6.978 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -6.307 8.542 9.688 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -5.638 9.414 8.289 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -7.135 9.987 9.062 1.00 0.00 H new ATOM 1296 N ASN A 80 -7.570 12.006 5.341 1.00 0.00 N ATOM 1297 CA ASN A 80 -7.475 12.818 4.151 1.00 0.00 C ATOM 1298 C ASN A 80 -6.106 13.455 4.096 1.00 0.00 C ATOM 1299 O ASN A 80 -5.965 14.675 4.120 1.00 0.00 O ATOM 1300 CB ASN A 80 -8.551 13.906 4.095 1.00 0.00 C ATOM 1301 CG ASN A 80 -8.728 14.642 5.415 1.00 0.00 C ATOM 1302 OD1 ASN A 80 -8.003 15.590 5.719 1.00 0.00 O ATOM 1303 ND2 ASN A 80 -9.715 14.234 6.196 1.00 0.00 N ATOM 0 H ASN A 80 -6.831 12.185 6.021 1.00 0.00 H new ATOM 0 HA ASN A 80 -7.632 12.166 3.292 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -8.292 14.625 3.318 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -9.501 13.454 3.808 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -9.895 14.708 7.081 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -10.296 13.445 5.913 1.00 0.00 H new ATOM 1310 N PHE A 81 -5.087 12.618 4.021 1.00 0.00 N ATOM 1311 CA PHE A 81 -3.715 13.093 3.886 1.00 0.00 C ATOM 1312 C PHE A 81 -3.487 13.653 2.481 1.00 0.00 C ATOM 1313 O PHE A 81 -2.381 13.586 1.946 1.00 0.00 O ATOM 1314 CB PHE A 81 -2.736 11.945 4.170 1.00 0.00 C ATOM 1315 CG PHE A 81 -2.744 11.481 5.598 1.00 0.00 C ATOM 1316 CD1 PHE A 81 -2.093 12.208 6.582 1.00 0.00 C ATOM 1317 CD2 PHE A 81 -3.399 10.314 5.956 1.00 0.00 C ATOM 1318 CE1 PHE A 81 -2.096 11.780 7.895 1.00 0.00 C ATOM 1319 CE2 PHE A 81 -3.405 9.882 7.267 1.00 0.00 C ATOM 1320 CZ PHE A 81 -2.753 10.616 8.237 1.00 0.00 C ATOM 0 H PHE A 81 -5.180 11.603 4.051 1.00 0.00 H new ATOM 0 HA PHE A 81 -3.541 13.890 4.609 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -2.981 11.103 3.523 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -1.728 12.266 3.908 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -1.577 13.120 6.319 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -3.911 9.736 5.201 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -1.585 12.355 8.653 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -3.919 8.971 7.533 1.00 0.00 H new ATOM 0 HZ PHE A 81 -2.757 10.279 9.263 1.00 0.00 H new ATOM 1330 N GLY A 82 -4.550 14.223 1.902 1.00 0.00 N ATOM 1331 CA GLY A 82 -4.555 14.636 0.510 1.00 0.00 C ATOM 1332 C GLY A 82 -4.565 13.449 -0.416 1.00 0.00 C ATOM 1333 O GLY A 82 -5.397 13.343 -1.315 1.00 0.00 O ATOM 0 H GLY A 82 -5.426 14.407 2.392 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -5.429 15.257 0.317 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -3.677 15.249 0.308 1.00 0.00 H new ATOM 1337 N MET A 83 -3.647 12.551 -0.154 1.00 0.00 N ATOM 1338 CA MET A 83 -3.521 11.314 -0.892 1.00 0.00 C ATOM 1339 C MET A 83 -4.428 10.287 -0.267 1.00 0.00 C ATOM 1340 O MET A 83 -5.377 9.804 -0.874 1.00 0.00 O ATOM 1341 CB MET A 83 -2.078 10.812 -0.828 1.00 0.00 C ATOM 1342 CG MET A 83 -1.048 11.846 -1.232 1.00 0.00 C ATOM 1343 SD MET A 83 0.632 11.346 -0.807 1.00 0.00 S ATOM 1344 CE MET A 83 0.494 11.220 0.974 1.00 0.00 C ATOM 0 H MET A 83 -2.956 12.659 0.588 1.00 0.00 H new ATOM 0 HA MET A 83 -3.795 11.481 -1.934 1.00 0.00 H new ATOM 0 HB2 MET A 83 -1.865 10.479 0.188 1.00 0.00 H new ATOM 0 HB3 MET A 83 -1.978 9.942 -1.476 1.00 0.00 H new ATOM 0 HG2 MET A 83 -1.112 12.018 -2.306 1.00 0.00 H new ATOM 0 HG3 MET A 83 -1.277 12.793 -0.743 1.00 0.00 H new ATOM 0 HE1 MET A 83 1.288 11.802 1.443 1.00 0.00 H new ATOM 0 HE2 MET A 83 -0.475 11.605 1.292 1.00 0.00 H new ATOM 0 HE3 MET A 83 0.585 10.176 1.273 1.00 0.00 H new ATOM 1354 N LEU A 84 -4.136 10.004 0.983 1.00 0.00 N ATOM 1355 CA LEU A 84 -4.851 9.005 1.744 1.00 0.00 C ATOM 1356 C LEU A 84 -6.149 9.579 2.297 1.00 0.00 C ATOM 1357 O LEU A 84 -6.306 9.746 3.506 1.00 0.00 O ATOM 1358 CB LEU A 84 -3.978 8.479 2.885 1.00 0.00 C ATOM 1359 CG LEU A 84 -2.768 7.634 2.472 1.00 0.00 C ATOM 1360 CD1 LEU A 84 -3.157 6.618 1.411 1.00 0.00 C ATOM 1361 CD2 LEU A 84 -1.625 8.509 1.988 1.00 0.00 C ATOM 0 H LEU A 84 -3.390 10.465 1.504 1.00 0.00 H new ATOM 0 HA LEU A 84 -5.095 8.177 1.078 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -3.621 9.330 3.464 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -4.603 7.882 3.549 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.423 7.093 3.353 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -2.283 6.029 1.133 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -3.929 5.957 1.806 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -3.539 7.138 0.532 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -0.781 7.881 1.702 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -1.952 9.091 1.126 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -1.320 9.184 2.787 1.00 0.00 H new ATOM 1373 N ARG A 85 -7.047 9.939 1.396 1.00 0.00 N ATOM 1374 CA ARG A 85 -8.384 10.363 1.756 1.00 0.00 C ATOM 1375 C ARG A 85 -9.223 9.151 2.147 1.00 0.00 C ATOM 1376 O ARG A 85 -10.070 8.712 1.372 1.00 0.00 O ATOM 1377 CB ARG A 85 -9.025 11.062 0.562 1.00 0.00 C ATOM 1378 CG ARG A 85 -8.042 11.847 -0.292 1.00 0.00 C ATOM 1379 CD ARG A 85 -8.730 12.508 -1.476 1.00 0.00 C ATOM 1380 NE ARG A 85 -9.847 13.353 -1.060 1.00 0.00 N ATOM 1381 CZ ARG A 85 -10.896 13.634 -1.829 1.00 0.00 C ATOM 1382 NH1 ARG A 85 -10.942 13.190 -3.081 1.00 0.00 N ATOM 1383 NH2 ARG A 85 -11.889 14.367 -1.345 1.00 0.00 N ATOM 0 H ARG A 85 -6.866 9.945 0.392 1.00 0.00 H new ATOM 0 HA ARG A 85 -8.332 11.049 2.601 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -9.518 10.316 -0.061 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -9.800 11.739 0.922 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -7.556 12.608 0.318 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -7.259 11.180 -0.652 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -8.006 13.109 -2.026 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -9.092 11.740 -2.160 1.00 0.00 H new ATOM 0 HE ARG A 85 -9.821 13.752 -0.122 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -10.173 12.633 -3.453 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -11.747 13.406 -3.669 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -11.847 14.713 -0.387 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -12.695 14.585 -1.931 1.00 0.00 H new ATOM 1397 N LYS A 86 -8.946 8.585 3.327 1.00 0.00 N ATOM 1398 CA LYS A 86 -9.568 7.327 3.763 1.00 0.00 C ATOM 1399 C LYS A 86 -9.139 6.199 2.843 1.00 0.00 C ATOM 1400 O LYS A 86 -9.700 5.106 2.860 1.00 0.00 O ATOM 1401 CB LYS A 86 -11.092 7.419 3.790 1.00 0.00 C ATOM 1402 CG LYS A 86 -11.642 8.161 4.993 1.00 0.00 C ATOM 1403 CD LYS A 86 -13.161 8.094 5.032 1.00 0.00 C ATOM 1404 CE LYS A 86 -13.656 6.658 4.921 1.00 0.00 C ATOM 1405 NZ LYS A 86 -13.270 5.827 6.095 1.00 0.00 N ATOM 0 H LYS A 86 -8.291 8.980 4.002 1.00 0.00 H new ATOM 0 HA LYS A 86 -9.232 7.128 4.781 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -11.432 7.917 2.882 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -11.507 6.411 3.776 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -11.233 7.731 5.907 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -11.322 9.202 4.959 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -13.523 8.534 5.961 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -13.574 8.687 4.216 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -14.741 6.658 4.822 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -13.253 6.208 4.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -13.631 4.860 5.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -12.234 5.802 6.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -13.676 6.238 6.960 1.00 0.00 H new ATOM 1419 N MET A 87 -8.120 6.492 2.059 1.00 0.00 N ATOM 1420 CA MET A 87 -7.630 5.593 1.036 1.00 0.00 C ATOM 1421 C MET A 87 -6.414 4.844 1.546 1.00 0.00 C ATOM 1422 O MET A 87 -5.828 4.019 0.845 1.00 0.00 O ATOM 1423 CB MET A 87 -7.284 6.404 -0.212 1.00 0.00 C ATOM 1424 CG MET A 87 -8.483 7.129 -0.805 1.00 0.00 C ATOM 1425 SD MET A 87 -8.058 8.190 -2.199 1.00 0.00 S ATOM 1426 CE MET A 87 -9.652 8.937 -2.532 1.00 0.00 C ATOM 0 H MET A 87 -7.605 7.370 2.116 1.00 0.00 H new ATOM 0 HA MET A 87 -8.397 4.861 0.784 1.00 0.00 H new ATOM 0 HB2 MET A 87 -6.513 7.133 0.038 1.00 0.00 H new ATOM 0 HB3 MET A 87 -6.861 5.739 -0.965 1.00 0.00 H new ATOM 0 HG2 MET A 87 -9.220 6.394 -1.129 1.00 0.00 H new ATOM 0 HG3 MET A 87 -8.954 7.732 -0.029 1.00 0.00 H new ATOM 0 HE1 MET A 87 -9.508 9.890 -3.041 1.00 0.00 H new ATOM 0 HE2 MET A 87 -10.240 8.272 -3.165 1.00 0.00 H new ATOM 0 HE3 MET A 87 -10.179 9.104 -1.593 1.00 0.00 H new ATOM 1436 N GLY A 88 -6.047 5.143 2.777 1.00 0.00 N ATOM 1437 CA GLY A 88 -4.920 4.507 3.401 1.00 0.00 C ATOM 1438 C GLY A 88 -4.656 5.096 4.761 1.00 0.00 C ATOM 1439 O GLY A 88 -4.947 6.293 4.943 1.00 0.00 O ATOM 1440 OXT GLY A 88 -4.183 4.360 5.649 1.00 0.00 O ATOM 0 H GLY A 88 -6.522 5.829 3.363 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -5.106 3.437 3.494 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -4.037 4.624 2.772 1.00 0.00 H new TER 1444 GLY A 88