USER MOD reduce.3.24.130724 H: found=0, std=0, add=1198, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1202 hydrogens (4 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 96 HIS HE2 : A 96 HIS NE2 : A 180 FE2FE :(H bumps) USER MOD NoAdj-H: A 98 HIS HE2 : A 98 HIS NE2 : A 180 FE2FE :(H bumps) USER MOD NoAdj-H: A 140 HIS HE2 : A 140 HIS NE2 : A 180 FE2FE :(H bumps) USER MOD Set 1.1: A 114 CYS SG : rot 97:sc= 0.264 USER MOD Set 1.2: A 123 GLN : amide:sc= 0 X(o=0.26,f=0.12) USER MOD Set 2.1: A 4 THR OG1 : rot 180:sc= -0.495 USER MOD Set 2.2: A 17 HIS : no HD1:sc= -2.12 K(o=-2.6,f=-5.4!) USER MOD Single : A 1 SER N :NH3+ 174:sc=-0.00424 (180deg=-0.048) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ -169:sc= -1.16 (180deg=-1.49!) USER MOD Single : A 12 GLN :FLIP amide:sc= 0 F(o=-1.2!,f=0) USER MOD Single : A 13 ASN : amide:sc= -0.631 K(o=-0.63,f=-2.1!) USER MOD Single : A 14 SER OG : rot 65:sc= -1.4! USER MOD Single : A 18 SER OG : rot -10:sc= 0.931 USER MOD Single : A 19 THR OG1 : rot 63:sc= 0.883 USER MOD Single : A 20 ASN : amide:sc= -0.0338 X(o=-0.034,f=-0.021) USER MOD Single : A 25 GLN : amide:sc= 0.0385 X(o=0.039,f=-0.0069) USER MOD Single : A 26 GLN : amide:sc= -0.0119 K(o=-0.012,f=-1.8!) USER MOD Single : A 27 GLN : amide:sc= -0.259 K(o=-0.26,f=-0.99) USER MOD Single : A 29 ASN : amide:sc= -3.11! C(o=-3.1!,f=-3.6!) USER MOD Single : A 31 LYS NZ :NH3+ 167:sc= 1.87 (180deg=1.14) USER MOD Single : A 39 GLN : amide:sc= -0.229 K(o=-0.23,f=-0.98) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 84:sc= 0.32 USER MOD Single : A 58 GLN :FLIP amide:sc= -0.945 F(o=-5.3!,f=-0.94) USER MOD Single : A 59 HIS : no HE2:sc= -6.33! C(o=-6.3!,f=-12!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 163:sc= -1.07 (180deg=-1.08) USER MOD Single : A 70 TYR OH : rot 30:sc= -0.0366 USER MOD Single : A 71 GLN : amide:sc=-0.00191 K(o=-0.0019,f=-1.6!) USER MOD Single : A 72 SER OG : rot 20:sc= 1.21 USER MOD Single : A 77 SER OG : rot 180:sc= 0.0198 USER MOD Single : A 82 ASN : amide:sc= -0.224 K(o=-0.22,f=-0.75) USER MOD Single : A 84 GLN :FLIP amide:sc= -0.295 F(o=-1.5!,f=-0.3) USER MOD Single : A 85 LYS NZ :NH3+ 135:sc= -3.21! (180deg=-4.37!) USER MOD Single : A 91 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.131) USER MOD Single : A 94 ASN : amide:sc= -0.277 K(o=-0.28,f=-2!) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 HIS : no HD1:sc= -4.09! C(o=-4.1!,f=-4.4!) USER MOD Single : A 126 CYS SG : rot 91:sc= -5.75! USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 ASN : amide:sc=-0.00314 X(o=-0.0031,f=-0.16) USER MOD Single : A 133 SER OG : rot 61:sc= -0.38! USER MOD Single : A 137 HIS : no HD1:sc= -0.113 X(o=-0.11,f=-0.28) USER MOD Single : A 138 THR OG1 : rot -130:sc=-0.00319 USER MOD Single : A 144 MET CE :methyl -150:sc=-0.00386 (180deg=-1.09) USER MOD Single : A 146 SER OG : rot 180:sc= -0.614 USER MOD Single : A 149 ASN : amide:sc= -0.864! C(o=-0.86!,f=-7.1!) USER MOD Single : A 151 THR OG1 : rot -160:sc= -0.26 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 8.844 6.208 1.089 1.00 0.00 N ATOM 2 CA SER A 1 9.012 7.679 0.929 1.00 0.00 C ATOM 3 C SER A 1 9.197 8.322 2.307 1.00 0.00 C ATOM 4 O SER A 1 10.145 9.043 2.539 1.00 0.00 O ATOM 5 CB SER A 1 7.772 8.266 0.254 1.00 0.00 C ATOM 6 OG SER A 1 8.051 8.496 -1.121 1.00 0.00 O ATOM 0 H1 SER A 1 8.617 5.782 0.168 1.00 0.00 H new ATOM 0 H2 SER A 1 9.726 5.795 1.453 1.00 0.00 H new ATOM 0 H3 SER A 1 8.071 6.018 1.758 1.00 0.00 H new ATOM 0 HA SER A 1 9.888 7.880 0.312 1.00 0.00 H new ATOM 0 HB2 SER A 1 6.930 7.582 0.357 1.00 0.00 H new ATOM 0 HB3 SER A 1 7.486 9.199 0.740 1.00 0.00 H new ATOM 0 HG SER A 1 7.258 8.871 -1.558 1.00 0.00 H new ATOM 14 N ALA A 2 8.296 8.071 3.222 1.00 0.00 N ATOM 15 CA ALA A 2 8.430 8.680 4.585 1.00 0.00 C ATOM 16 C ALA A 2 7.742 7.787 5.614 1.00 0.00 C ATOM 17 O ALA A 2 6.781 7.111 5.309 1.00 0.00 O ATOM 18 CB ALA A 2 7.768 10.057 4.583 1.00 0.00 C ATOM 0 H ALA A 2 7.478 7.476 3.089 1.00 0.00 H new ATOM 0 HA ALA A 2 9.485 8.778 4.841 1.00 0.00 H new ATOM 0 HB1 ALA A 2 7.861 10.507 5.571 1.00 0.00 H new ATOM 0 HB2 ALA A 2 8.257 10.695 3.846 1.00 0.00 H new ATOM 0 HB3 ALA A 2 6.713 9.953 4.330 1.00 0.00 H new ATOM 24 N LEU A 3 8.207 7.787 6.839 1.00 0.00 N ATOM 25 CA LEU A 3 7.551 6.944 7.866 1.00 0.00 C ATOM 26 C LEU A 3 7.454 7.754 9.156 1.00 0.00 C ATOM 27 O LEU A 3 8.416 8.331 9.617 1.00 0.00 O ATOM 28 CB LEU A 3 8.373 5.667 8.081 1.00 0.00 C ATOM 29 CG LEU A 3 7.748 4.812 9.192 1.00 0.00 C ATOM 30 CD1 LEU A 3 6.416 4.230 8.718 1.00 0.00 C ATOM 31 CD2 LEU A 3 8.698 3.662 9.545 1.00 0.00 C ATOM 0 H LEU A 3 9.006 8.332 7.163 1.00 0.00 H new ATOM 0 HA LEU A 3 6.551 6.652 7.546 1.00 0.00 H new ATOM 0 HB2 LEU A 3 8.418 5.095 7.154 1.00 0.00 H new ATOM 0 HB3 LEU A 3 9.398 5.926 8.345 1.00 0.00 H new ATOM 0 HG LEU A 3 7.578 5.438 10.068 1.00 0.00 H new ATOM 0 HD11 LEU A 3 5.980 3.625 9.513 1.00 0.00 H new ATOM 0 HD12 LEU A 3 5.734 5.042 8.464 1.00 0.00 H new ATOM 0 HD13 LEU A 3 6.583 3.608 7.839 1.00 0.00 H new ATOM 0 HD21 LEU A 3 8.256 3.054 10.334 1.00 0.00 H new ATOM 0 HD22 LEU A 3 8.866 3.045 8.662 1.00 0.00 H new ATOM 0 HD23 LEU A 3 9.649 4.068 9.890 1.00 0.00 H new ATOM 43 N THR A 4 6.292 7.795 9.740 1.00 0.00 N ATOM 44 CA THR A 4 6.114 8.560 11.005 1.00 0.00 C ATOM 45 C THR A 4 5.336 7.711 12.008 1.00 0.00 C ATOM 46 O THR A 4 4.321 7.144 11.676 1.00 0.00 O ATOM 47 CB THR A 4 5.348 9.837 10.716 1.00 0.00 C ATOM 48 OG1 THR A 4 5.984 10.534 9.659 1.00 0.00 O ATOM 49 CG2 THR A 4 5.336 10.699 11.965 1.00 0.00 C ATOM 0 H THR A 4 5.453 7.330 9.395 1.00 0.00 H new ATOM 0 HA THR A 4 7.090 8.808 11.423 1.00 0.00 H new ATOM 0 HB THR A 4 4.324 9.601 10.426 1.00 0.00 H new ATOM 0 HG1 THR A 4 5.491 11.360 9.469 1.00 0.00 H new ATOM 0 HG21 THR A 4 4.787 11.620 11.766 1.00 0.00 H new ATOM 0 HG22 THR A 4 4.852 10.156 12.777 1.00 0.00 H new ATOM 0 HG23 THR A 4 6.360 10.941 12.250 1.00 0.00 H new ATOM 57 N ILE A 5 5.733 7.693 13.251 1.00 0.00 N ATOM 58 CA ILE A 5 4.952 6.922 14.263 1.00 0.00 C ATOM 59 C ILE A 5 4.923 7.710 15.564 1.00 0.00 C ATOM 60 O ILE A 5 5.958 7.955 16.158 1.00 0.00 O ATOM 61 CB ILE A 5 5.643 5.582 14.519 1.00 0.00 C ATOM 62 CG1 ILE A 5 5.707 4.781 13.220 1.00 0.00 C ATOM 63 CG2 ILE A 5 4.871 4.770 15.570 1.00 0.00 C ATOM 64 CD1 ILE A 5 7.121 4.791 12.650 1.00 0.00 C ATOM 0 H ILE A 5 6.558 8.174 13.609 1.00 0.00 H new ATOM 0 HA ILE A 5 3.939 6.754 13.898 1.00 0.00 H new ATOM 0 HB ILE A 5 6.650 5.777 14.887 1.00 0.00 H new ATOM 0 HG12 ILE A 5 5.391 3.754 13.404 1.00 0.00 H new ATOM 0 HG13 ILE A 5 5.013 5.202 12.492 1.00 0.00 H new ATOM 0 HG21 ILE A 5 5.377 3.820 15.739 1.00 0.00 H new ATOM 0 HG22 ILE A 5 4.829 5.330 16.504 1.00 0.00 H new ATOM 0 HG23 ILE A 5 3.858 4.583 15.213 1.00 0.00 H new ATOM 0 HD11 ILE A 5 7.145 4.215 11.725 1.00 0.00 H new ATOM 0 HD12 ILE A 5 7.424 5.818 12.446 1.00 0.00 H new ATOM 0 HD13 ILE A 5 7.807 4.347 13.371 1.00 0.00 H new ATOM 76 N PHE A 6 3.778 8.121 16.038 1.00 0.00 N ATOM 77 CA PHE A 6 3.709 8.904 17.309 1.00 0.00 C ATOM 78 C PHE A 6 3.097 8.020 18.389 1.00 0.00 C ATOM 79 O PHE A 6 2.579 6.960 18.108 1.00 0.00 O ATOM 80 CB PHE A 6 2.791 10.118 17.117 1.00 0.00 C ATOM 81 CG PHE A 6 2.688 10.491 15.649 1.00 0.00 C ATOM 82 CD1 PHE A 6 1.964 9.673 14.771 1.00 0.00 C ATOM 83 CD2 PHE A 6 3.318 11.644 15.162 1.00 0.00 C ATOM 84 CE1 PHE A 6 1.876 10.001 13.415 1.00 0.00 C ATOM 85 CE2 PHE A 6 3.225 11.973 13.801 1.00 0.00 C ATOM 86 CZ PHE A 6 2.506 11.148 12.929 1.00 0.00 C ATOM 0 H PHE A 6 2.876 7.946 15.595 1.00 0.00 H new ATOM 0 HA PHE A 6 4.710 9.232 17.589 1.00 0.00 H new ATOM 0 HB2 PHE A 6 1.799 9.895 17.510 1.00 0.00 H new ATOM 0 HB3 PHE A 6 3.177 10.964 17.685 1.00 0.00 H new ATOM 0 HD1 PHE A 6 1.472 8.786 15.143 1.00 0.00 H new ATOM 0 HD2 PHE A 6 3.875 12.280 15.834 1.00 0.00 H new ATOM 0 HE1 PHE A 6 1.319 9.366 12.742 1.00 0.00 H new ATOM 0 HE2 PHE A 6 3.708 12.863 13.426 1.00 0.00 H new ATOM 0 HZ PHE A 6 2.439 11.398 11.881 1.00 0.00 H new ATOM 96 N SER A 7 3.128 8.453 19.615 1.00 0.00 N ATOM 97 CA SER A 7 2.522 7.640 20.696 1.00 0.00 C ATOM 98 C SER A 7 1.012 7.883 20.735 1.00 0.00 C ATOM 99 O SER A 7 0.516 8.924 20.346 1.00 0.00 O ATOM 100 CB SER A 7 3.142 8.032 22.038 1.00 0.00 C ATOM 101 OG SER A 7 2.606 7.204 23.062 1.00 0.00 O ATOM 0 H SER A 7 3.547 9.334 19.913 1.00 0.00 H new ATOM 0 HA SER A 7 2.711 6.584 20.506 1.00 0.00 H new ATOM 0 HB2 SER A 7 4.226 7.924 21.997 1.00 0.00 H new ATOM 0 HB3 SER A 7 2.935 9.080 22.256 1.00 0.00 H new ATOM 0 HG SER A 7 3.002 7.451 23.924 1.00 0.00 H new ATOM 107 N VAL A 8 0.283 6.909 21.198 1.00 0.00 N ATOM 108 CA VAL A 8 -1.201 7.038 21.271 1.00 0.00 C ATOM 109 C VAL A 8 -1.556 8.249 22.136 1.00 0.00 C ATOM 110 O VAL A 8 -2.644 8.784 22.055 1.00 0.00 O ATOM 111 CB VAL A 8 -1.814 5.769 21.896 1.00 0.00 C ATOM 112 CG1 VAL A 8 -2.796 5.118 20.912 1.00 0.00 C ATOM 113 CG2 VAL A 8 -0.716 4.759 22.254 1.00 0.00 C ATOM 0 H VAL A 8 0.653 6.020 21.533 1.00 0.00 H new ATOM 0 HA VAL A 8 -1.600 7.167 20.265 1.00 0.00 H new ATOM 0 HB VAL A 8 -2.343 6.059 22.804 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -3.223 4.223 21.363 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -3.594 5.822 20.676 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -2.269 4.847 19.997 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -1.169 3.870 22.694 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -0.170 4.480 21.353 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -0.028 5.208 22.970 1.00 0.00 H new ATOM 123 N LYS A 9 -0.648 8.691 22.963 1.00 0.00 N ATOM 124 CA LYS A 9 -0.936 9.874 23.823 1.00 0.00 C ATOM 125 C LYS A 9 -0.401 11.147 23.160 1.00 0.00 C ATOM 126 O LYS A 9 -0.946 12.218 23.338 1.00 0.00 O ATOM 127 CB LYS A 9 -0.251 9.688 25.175 1.00 0.00 C ATOM 128 CG LYS A 9 -0.763 10.744 26.153 1.00 0.00 C ATOM 129 CD LYS A 9 -2.105 10.297 26.736 1.00 0.00 C ATOM 130 CE LYS A 9 -1.892 9.771 28.154 1.00 0.00 C ATOM 131 NZ LYS A 9 -0.695 8.881 28.177 1.00 0.00 N ATOM 0 H LYS A 9 0.280 8.284 23.080 1.00 0.00 H new ATOM 0 HA LYS A 9 -2.014 9.966 23.958 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -0.452 8.689 25.563 1.00 0.00 H new ATOM 0 HB3 LYS A 9 0.830 9.774 25.062 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -0.039 10.894 26.954 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -0.877 11.701 25.644 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -2.805 11.132 26.747 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -2.545 9.520 26.110 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -1.754 10.602 28.845 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -2.773 9.223 28.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -0.654 8.377 29.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -0.760 8.191 27.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 0.165 9.453 28.060 1.00 0.00 H new ATOM 145 N ASP A 10 0.676 11.038 22.421 1.00 0.00 N ATOM 146 CA ASP A 10 1.265 12.244 21.758 1.00 0.00 C ATOM 147 C ASP A 10 1.191 12.111 20.225 1.00 0.00 C ATOM 148 O ASP A 10 2.126 11.649 19.601 1.00 0.00 O ATOM 149 CB ASP A 10 2.729 12.385 22.182 1.00 0.00 C ATOM 150 CG ASP A 10 2.845 13.489 23.235 1.00 0.00 C ATOM 151 OD1 ASP A 10 2.343 14.573 22.987 1.00 0.00 O ATOM 152 OD2 ASP A 10 3.434 13.232 24.273 1.00 0.00 O ATOM 0 H ASP A 10 1.174 10.165 22.248 1.00 0.00 H new ATOM 0 HA ASP A 10 0.698 13.124 22.061 1.00 0.00 H new ATOM 0 HB2 ASP A 10 3.095 11.441 22.586 1.00 0.00 H new ATOM 0 HB3 ASP A 10 3.349 12.624 21.318 1.00 0.00 H new ATOM 157 N PRO A 11 0.105 12.525 19.625 1.00 0.00 N ATOM 158 CA PRO A 11 -0.081 12.464 18.154 1.00 0.00 C ATOM 159 C PRO A 11 0.422 13.729 17.458 1.00 0.00 C ATOM 160 O PRO A 11 0.538 13.778 16.250 1.00 0.00 O ATOM 161 CB PRO A 11 -1.591 12.335 18.012 1.00 0.00 C ATOM 162 CG PRO A 11 -2.165 13.044 19.204 1.00 0.00 C ATOM 163 CD PRO A 11 -1.074 13.107 20.278 1.00 0.00 C ATOM 0 HA PRO A 11 0.478 11.649 17.694 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -1.938 12.785 17.082 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -1.896 11.289 17.993 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -2.492 14.047 18.931 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -3.041 12.514 19.579 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -0.887 14.132 20.597 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -1.357 12.543 21.167 1.00 0.00 H new ATOM 171 N GLN A 12 0.705 14.758 18.208 1.00 0.00 N ATOM 172 CA GLN A 12 1.181 16.025 17.581 1.00 0.00 C ATOM 173 C GLN A 12 2.706 15.994 17.444 1.00 0.00 C ATOM 174 O GLN A 12 3.271 16.694 16.631 1.00 0.00 O ATOM 175 CB GLN A 12 0.786 17.209 18.467 1.00 0.00 C ATOM 176 CG GLN A 12 -0.738 17.292 18.568 1.00 0.00 C ATOM 177 CD GLN A 12 -1.132 18.541 19.360 1.00 0.00 C ATOM 178 OE1 GLN A 12 -0.200 19.302 19.867 1.00 0.00 O flip ATOM 179 NE2 GLN A 12 -2.302 18.828 19.520 1.00 0.00 N flip ATOM 0 H GLN A 12 0.628 14.778 19.225 1.00 0.00 H new ATOM 0 HA GLN A 12 0.727 16.129 16.595 1.00 0.00 H new ATOM 0 HB2 GLN A 12 1.220 17.093 19.460 1.00 0.00 H new ATOM 0 HB3 GLN A 12 1.183 18.135 18.051 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -1.177 17.327 17.571 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -1.129 16.400 19.057 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -3.031 18.235 19.125 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -2.555 19.662 20.050 1.00 0.00 H new ATOM 188 N ASN A 13 3.373 15.183 18.222 1.00 0.00 N ATOM 189 CA ASN A 13 4.861 15.106 18.118 1.00 0.00 C ATOM 190 C ASN A 13 5.298 13.650 18.000 1.00 0.00 C ATOM 191 O ASN A 13 5.216 12.899 18.951 1.00 0.00 O ATOM 192 CB ASN A 13 5.488 15.726 19.366 1.00 0.00 C ATOM 193 CG ASN A 13 5.158 17.218 19.401 1.00 0.00 C ATOM 194 OD1 ASN A 13 4.832 17.799 18.386 1.00 0.00 O ATOM 195 ND2 ASN A 13 5.227 17.864 20.530 1.00 0.00 N ATOM 0 H ASN A 13 2.954 14.572 18.923 1.00 0.00 H new ATOM 0 HA ASN A 13 5.189 15.651 17.233 1.00 0.00 H new ATOM 0 HB2 ASN A 13 5.107 15.235 20.262 1.00 0.00 H new ATOM 0 HB3 ASN A 13 6.568 15.580 19.357 1.00 0.00 H new ATOM 0 HD21 ASN A 13 5.007 18.859 20.562 1.00 0.00 H new ATOM 0 HD22 ASN A 13 5.501 17.374 21.382 1.00 0.00 H new ATOM 202 N SER A 14 5.753 13.223 16.855 1.00 0.00 N ATOM 203 CA SER A 14 6.172 11.803 16.721 1.00 0.00 C ATOM 204 C SER A 14 7.519 11.572 17.408 1.00 0.00 C ATOM 205 O SER A 14 8.447 12.347 17.264 1.00 0.00 O ATOM 206 CB SER A 14 6.289 11.458 15.240 1.00 0.00 C ATOM 207 OG SER A 14 5.633 10.219 14.993 1.00 0.00 O ATOM 0 H SER A 14 5.852 13.791 16.014 1.00 0.00 H new ATOM 0 HA SER A 14 5.427 11.166 17.197 1.00 0.00 H new ATOM 0 HB2 SER A 14 5.842 12.246 14.635 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.338 11.391 14.952 1.00 0.00 H new ATOM 0 HG SER A 14 4.672 10.318 15.160 1.00 0.00 H new ATOM 213 N LEU A 15 7.641 10.501 18.135 1.00 0.00 N ATOM 214 CA LEU A 15 8.926 10.202 18.817 1.00 0.00 C ATOM 215 C LEU A 15 9.800 9.392 17.870 1.00 0.00 C ATOM 216 O LEU A 15 10.807 8.840 18.263 1.00 0.00 O ATOM 217 CB LEU A 15 8.665 9.387 20.086 1.00 0.00 C ATOM 218 CG LEU A 15 7.611 10.091 20.936 1.00 0.00 C ATOM 219 CD1 LEU A 15 7.404 9.317 22.238 1.00 0.00 C ATOM 220 CD2 LEU A 15 8.084 11.510 21.254 1.00 0.00 C ATOM 0 H LEU A 15 6.901 9.816 18.287 1.00 0.00 H new ATOM 0 HA LEU A 15 9.424 11.133 19.089 1.00 0.00 H new ATOM 0 HB2 LEU A 15 8.326 8.385 19.824 1.00 0.00 H new ATOM 0 HB3 LEU A 15 9.588 9.273 20.654 1.00 0.00 H new ATOM 0 HG LEU A 15 6.669 10.134 20.389 1.00 0.00 H new ATOM 0 HD11 LEU A 15 6.651 9.820 22.845 1.00 0.00 H new ATOM 0 HD12 LEU A 15 7.069 8.305 22.010 1.00 0.00 H new ATOM 0 HD13 LEU A 15 8.344 9.273 22.789 1.00 0.00 H new ATOM 0 HD21 LEU A 15 7.334 12.016 21.861 1.00 0.00 H new ATOM 0 HD22 LEU A 15 9.025 11.466 21.803 1.00 0.00 H new ATOM 0 HD23 LEU A 15 8.231 12.061 20.325 1.00 0.00 H new ATOM 232 N TRP A 16 9.475 9.380 16.603 1.00 0.00 N ATOM 233 CA TRP A 16 10.357 8.667 15.643 1.00 0.00 C ATOM 234 C TRP A 16 10.031 9.065 14.190 1.00 0.00 C ATOM 235 O TRP A 16 8.990 8.721 13.678 1.00 0.00 O ATOM 236 CB TRP A 16 10.160 7.155 15.823 1.00 0.00 C ATOM 237 CG TRP A 16 11.185 6.400 15.025 1.00 0.00 C ATOM 238 CD1 TRP A 16 12.347 5.919 15.513 1.00 0.00 C ATOM 239 CD2 TRP A 16 11.149 6.018 13.621 1.00 0.00 C ATOM 240 NE1 TRP A 16 13.034 5.274 14.495 1.00 0.00 N ATOM 241 CE2 TRP A 16 12.334 5.310 13.302 1.00 0.00 C ATOM 242 CE3 TRP A 16 10.212 6.223 12.605 1.00 0.00 C ATOM 243 CZ2 TRP A 16 12.571 4.823 12.003 1.00 0.00 C ATOM 244 CZ3 TRP A 16 10.440 5.740 11.315 1.00 0.00 C ATOM 245 CH2 TRP A 16 11.613 5.044 11.009 1.00 0.00 C ATOM 0 H TRP A 16 8.651 9.826 16.200 1.00 0.00 H new ATOM 0 HA TRP A 16 11.393 8.941 15.842 1.00 0.00 H new ATOM 0 HB2 TRP A 16 10.244 6.893 16.878 1.00 0.00 H new ATOM 0 HB3 TRP A 16 9.158 6.871 15.503 1.00 0.00 H new ATOM 0 HD1 TRP A 16 12.688 6.020 16.533 1.00 0.00 H new ATOM 0 HE1 TRP A 16 13.944 4.828 14.612 1.00 0.00 H new ATOM 0 HE3 TRP A 16 9.301 6.761 12.820 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 13.480 4.286 11.777 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 9.702 5.906 10.545 1.00 0.00 H new ATOM 0 HH2 TRP A 16 11.779 4.678 10.007 1.00 0.00 H new ATOM 256 N HIS A 17 10.882 9.796 13.515 1.00 0.00 N ATOM 257 CA HIS A 17 10.561 10.167 12.100 1.00 0.00 C ATOM 258 C HIS A 17 11.837 10.131 11.289 1.00 0.00 C ATOM 259 O HIS A 17 12.800 10.805 11.585 1.00 0.00 O ATOM 260 CB HIS A 17 9.970 11.562 12.025 1.00 0.00 C ATOM 261 CG HIS A 17 9.287 11.758 10.698 1.00 0.00 C ATOM 262 ND1 HIS A 17 9.278 10.776 9.717 1.00 0.00 N ATOM 263 CD2 HIS A 17 8.592 12.821 10.170 1.00 0.00 C ATOM 264 CE1 HIS A 17 8.598 11.261 8.659 1.00 0.00 C ATOM 265 NE2 HIS A 17 8.160 12.503 8.886 1.00 0.00 N ATOM 0 H HIS A 17 11.770 10.147 13.873 1.00 0.00 H new ATOM 0 HA HIS A 17 9.831 9.459 11.708 1.00 0.00 H new ATOM 0 HB2 HIS A 17 9.257 11.708 12.836 1.00 0.00 H new ATOM 0 HB3 HIS A 17 10.756 12.307 12.153 1.00 0.00 H new ATOM 0 HD2 HIS A 17 8.410 13.758 10.674 1.00 0.00 H new ATOM 0 HE1 HIS A 17 8.428 10.715 7.743 1.00 0.00 H new ATOM 0 HE2 HIS A 17 7.622 13.094 8.252 1.00 0.00 H new ATOM 274 N SER A 18 11.843 9.338 10.268 1.00 0.00 N ATOM 275 CA SER A 18 13.063 9.232 9.416 1.00 0.00 C ATOM 276 C SER A 18 12.704 8.692 8.032 1.00 0.00 C ATOM 277 O SER A 18 11.846 7.842 7.903 1.00 0.00 O ATOM 278 CB SER A 18 14.060 8.270 10.079 1.00 0.00 C ATOM 279 OG SER A 18 14.537 8.841 11.295 1.00 0.00 O ATOM 0 H SER A 18 11.058 8.754 9.979 1.00 0.00 H new ATOM 0 HA SER A 18 13.503 10.223 9.310 1.00 0.00 H new ATOM 0 HB2 SER A 18 13.579 7.312 10.279 1.00 0.00 H new ATOM 0 HB3 SER A 18 14.894 8.073 9.406 1.00 0.00 H new ATOM 0 HG SER A 18 14.246 9.775 11.354 1.00 0.00 H new ATOM 285 N THR A 19 13.388 9.123 6.998 1.00 0.00 N ATOM 286 CA THR A 19 13.091 8.561 5.650 1.00 0.00 C ATOM 287 C THR A 19 14.412 8.164 4.967 1.00 0.00 C ATOM 288 O THR A 19 15.052 8.969 4.327 1.00 0.00 O ATOM 289 CB THR A 19 12.414 9.659 4.832 1.00 0.00 C ATOM 290 OG1 THR A 19 13.404 10.560 4.352 1.00 0.00 O ATOM 291 CG2 THR A 19 11.434 10.431 5.722 1.00 0.00 C ATOM 0 H THR A 19 14.125 9.827 7.031 1.00 0.00 H new ATOM 0 HA THR A 19 12.448 7.684 5.728 1.00 0.00 H new ATOM 0 HB THR A 19 11.877 9.210 3.996 1.00 0.00 H new ATOM 0 HG1 THR A 19 14.016 10.084 3.752 1.00 0.00 H new ATOM 0 HG21 THR A 19 10.951 11.214 5.138 1.00 0.00 H new ATOM 0 HG22 THR A 19 10.677 9.748 6.108 1.00 0.00 H new ATOM 0 HG23 THR A 19 11.975 10.881 6.554 1.00 0.00 H new ATOM 299 N ASN A 20 14.793 6.912 5.057 1.00 0.00 N ATOM 300 CA ASN A 20 16.034 6.437 4.362 1.00 0.00 C ATOM 301 C ASN A 20 15.790 5.043 3.757 1.00 0.00 C ATOM 302 O ASN A 20 14.932 4.317 4.214 1.00 0.00 O ATOM 303 CB ASN A 20 17.197 6.424 5.342 1.00 0.00 C ATOM 304 CG ASN A 20 18.322 7.260 4.743 1.00 0.00 C ATOM 305 OD1 ASN A 20 18.132 8.419 4.432 1.00 0.00 O ATOM 306 ND2 ASN A 20 19.484 6.714 4.539 1.00 0.00 N ATOM 0 H ASN A 20 14.296 6.194 5.584 1.00 0.00 H new ATOM 0 HA ASN A 20 16.286 7.117 3.548 1.00 0.00 H new ATOM 0 HB2 ASN A 20 16.889 6.832 6.305 1.00 0.00 H new ATOM 0 HB3 ASN A 20 17.534 5.403 5.521 1.00 0.00 H new ATOM 0 HD21 ASN A 20 20.237 7.259 4.118 1.00 0.00 H new ATOM 0 HD22 ASN A 20 19.643 5.741 4.800 1.00 0.00 H new ATOM 313 N ALA A 21 16.518 4.632 2.748 1.00 0.00 N ATOM 314 CA ALA A 21 16.258 3.259 2.206 1.00 0.00 C ATOM 315 C ALA A 21 16.515 2.213 3.306 1.00 0.00 C ATOM 316 O ALA A 21 15.651 1.422 3.623 1.00 0.00 O ATOM 317 CB ALA A 21 17.235 3.001 1.084 1.00 0.00 C ATOM 0 H ALA A 21 17.256 5.165 2.288 1.00 0.00 H new ATOM 0 HA ALA A 21 15.227 3.190 1.858 1.00 0.00 H new ATOM 0 HB1 ALA A 21 17.064 2.006 0.674 1.00 0.00 H new ATOM 0 HB2 ALA A 21 17.094 3.745 0.300 1.00 0.00 H new ATOM 0 HB3 ALA A 21 18.254 3.065 1.467 1.00 0.00 H new ATOM 323 N GLU A 22 17.702 2.159 3.866 1.00 0.00 N ATOM 324 CA GLU A 22 17.984 1.133 4.914 1.00 0.00 C ATOM 325 C GLU A 22 17.124 1.425 6.137 1.00 0.00 C ATOM 326 O GLU A 22 16.782 0.544 6.889 1.00 0.00 O ATOM 327 CB GLU A 22 19.456 1.171 5.317 1.00 0.00 C ATOM 328 CG GLU A 22 20.332 0.740 4.137 1.00 0.00 C ATOM 329 CD GLU A 22 20.566 1.932 3.206 1.00 0.00 C ATOM 330 OE1 GLU A 22 20.039 2.994 3.494 1.00 0.00 O ATOM 331 OE2 GLU A 22 21.268 1.763 2.224 1.00 0.00 O ATOM 0 H GLU A 22 18.481 2.778 3.642 1.00 0.00 H new ATOM 0 HA GLU A 22 17.754 0.145 4.515 1.00 0.00 H new ATOM 0 HB2 GLU A 22 19.729 2.177 5.635 1.00 0.00 H new ATOM 0 HB3 GLU A 22 19.626 0.511 6.167 1.00 0.00 H new ATOM 0 HG2 GLU A 22 21.286 0.357 4.500 1.00 0.00 H new ATOM 0 HG3 GLU A 22 19.850 -0.071 3.591 1.00 0.00 H new ATOM 338 N GLU A 23 16.793 2.665 6.358 1.00 0.00 N ATOM 339 CA GLU A 23 15.962 3.004 7.548 1.00 0.00 C ATOM 340 C GLU A 23 14.517 2.543 7.332 1.00 0.00 C ATOM 341 O GLU A 23 13.944 1.891 8.172 1.00 0.00 O ATOM 342 CB GLU A 23 15.968 4.505 7.771 1.00 0.00 C ATOM 343 CG GLU A 23 17.366 4.950 8.202 1.00 0.00 C ATOM 344 CD GLU A 23 17.685 4.350 9.564 1.00 0.00 C ATOM 345 OE1 GLU A 23 16.759 3.902 10.219 1.00 0.00 O ATOM 346 OE2 GLU A 23 18.847 4.347 9.928 1.00 0.00 O ATOM 0 H GLU A 23 17.059 3.455 5.771 1.00 0.00 H new ATOM 0 HA GLU A 23 16.381 2.498 8.418 1.00 0.00 H new ATOM 0 HB2 GLU A 23 15.676 5.021 6.856 1.00 0.00 H new ATOM 0 HB3 GLU A 23 15.238 4.773 8.535 1.00 0.00 H new ATOM 0 HG2 GLU A 23 18.105 4.629 7.468 1.00 0.00 H new ATOM 0 HG3 GLU A 23 17.416 6.038 8.250 1.00 0.00 H new ATOM 353 N ILE A 24 13.905 2.888 6.229 1.00 0.00 N ATOM 354 CA ILE A 24 12.490 2.465 5.994 1.00 0.00 C ATOM 355 C ILE A 24 12.423 0.941 5.839 1.00 0.00 C ATOM 356 O ILE A 24 11.500 0.298 6.300 1.00 0.00 O ATOM 357 CB ILE A 24 11.992 3.133 4.713 1.00 0.00 C ATOM 358 CG1 ILE A 24 12.001 4.655 4.881 1.00 0.00 C ATOM 359 CG2 ILE A 24 10.573 2.672 4.431 1.00 0.00 C ATOM 360 CD1 ILE A 24 11.723 5.318 3.530 1.00 0.00 C ATOM 0 H ILE A 24 14.322 3.443 5.482 1.00 0.00 H new ATOM 0 HA ILE A 24 11.867 2.761 6.838 1.00 0.00 H new ATOM 0 HB ILE A 24 12.646 2.858 3.886 1.00 0.00 H new ATOM 0 HG12 ILE A 24 11.247 4.956 5.608 1.00 0.00 H new ATOM 0 HG13 ILE A 24 12.966 4.983 5.268 1.00 0.00 H new ATOM 0 HG21 ILE A 24 10.211 3.145 3.518 1.00 0.00 H new ATOM 0 HG22 ILE A 24 10.560 1.589 4.308 1.00 0.00 H new ATOM 0 HG23 ILE A 24 9.928 2.951 5.264 1.00 0.00 H new ATOM 0 HD11 ILE A 24 11.729 6.402 3.648 1.00 0.00 H new ATOM 0 HD12 ILE A 24 12.494 5.027 2.816 1.00 0.00 H new ATOM 0 HD13 ILE A 24 10.748 4.999 3.162 1.00 0.00 H new ATOM 372 N GLN A 25 13.389 0.360 5.190 1.00 0.00 N ATOM 373 CA GLN A 25 13.383 -1.119 4.999 1.00 0.00 C ATOM 374 C GLN A 25 13.660 -1.835 6.326 1.00 0.00 C ATOM 375 O GLN A 25 12.994 -2.781 6.673 1.00 0.00 O ATOM 376 CB GLN A 25 14.461 -1.503 3.992 1.00 0.00 C ATOM 377 CG GLN A 25 14.275 -2.968 3.598 1.00 0.00 C ATOM 378 CD GLN A 25 15.410 -3.393 2.668 1.00 0.00 C ATOM 379 OE1 GLN A 25 16.568 -3.309 3.027 1.00 0.00 O ATOM 380 NE2 GLN A 25 15.126 -3.850 1.480 1.00 0.00 N ATOM 0 H GLN A 25 14.187 0.845 4.781 1.00 0.00 H new ATOM 0 HA GLN A 25 12.401 -1.419 4.632 1.00 0.00 H new ATOM 0 HB2 GLN A 25 14.397 -0.865 3.110 1.00 0.00 H new ATOM 0 HB3 GLN A 25 15.450 -1.352 4.424 1.00 0.00 H new ATOM 0 HG2 GLN A 25 14.265 -3.597 4.488 1.00 0.00 H new ATOM 0 HG3 GLN A 25 13.314 -3.103 3.102 1.00 0.00 H new ATOM 0 HE21 GLN A 25 14.154 -3.920 1.180 1.00 0.00 H new ATOM 0 HE22 GLN A 25 15.876 -4.137 0.851 1.00 0.00 H new ATOM 389 N GLN A 26 14.654 -1.407 7.056 1.00 0.00 N ATOM 390 CA GLN A 26 14.986 -2.074 8.352 1.00 0.00 C ATOM 391 C GLN A 26 13.846 -1.882 9.358 1.00 0.00 C ATOM 392 O GLN A 26 13.447 -2.806 10.032 1.00 0.00 O ATOM 393 CB GLN A 26 16.264 -1.464 8.931 1.00 0.00 C ATOM 394 CG GLN A 26 17.472 -1.911 8.104 1.00 0.00 C ATOM 395 CD GLN A 26 18.724 -1.183 8.599 1.00 0.00 C ATOM 396 OE1 GLN A 26 18.631 -0.241 9.362 1.00 0.00 O ATOM 397 NE2 GLN A 26 19.899 -1.577 8.190 1.00 0.00 N ATOM 0 H GLN A 26 15.255 -0.620 6.811 1.00 0.00 H new ATOM 0 HA GLN A 26 15.129 -3.139 8.168 1.00 0.00 H new ATOM 0 HB2 GLN A 26 16.192 -0.376 8.929 1.00 0.00 H new ATOM 0 HB3 GLN A 26 16.388 -1.773 9.969 1.00 0.00 H new ATOM 0 HG2 GLN A 26 17.607 -2.989 8.190 1.00 0.00 H new ATOM 0 HG3 GLN A 26 17.305 -1.694 7.049 1.00 0.00 H new ATOM 0 HE21 GLN A 26 19.978 -2.367 7.550 1.00 0.00 H new ATOM 0 HE22 GLN A 26 20.739 -1.095 8.510 1.00 0.00 H new ATOM 406 N GLN A 27 13.332 -0.688 9.476 1.00 0.00 N ATOM 407 CA GLN A 27 12.231 -0.436 10.454 1.00 0.00 C ATOM 408 C GLN A 27 10.984 -1.211 10.026 1.00 0.00 C ATOM 409 O GLN A 27 10.315 -1.830 10.827 1.00 0.00 O ATOM 410 CB GLN A 27 11.920 1.064 10.477 1.00 0.00 C ATOM 411 CG GLN A 27 11.002 1.384 11.653 1.00 0.00 C ATOM 412 CD GLN A 27 11.737 1.104 12.964 1.00 0.00 C ATOM 413 OE1 GLN A 27 12.919 1.365 13.079 1.00 0.00 O ATOM 414 NE2 GLN A 27 11.086 0.577 13.964 1.00 0.00 N ATOM 0 H GLN A 27 13.626 0.126 8.937 1.00 0.00 H new ATOM 0 HA GLN A 27 12.535 -0.764 11.448 1.00 0.00 H new ATOM 0 HB2 GLN A 27 12.845 1.635 10.560 1.00 0.00 H new ATOM 0 HB3 GLN A 27 11.445 1.361 9.542 1.00 0.00 H new ATOM 0 HG2 GLN A 27 10.693 2.428 11.613 1.00 0.00 H new ATOM 0 HG3 GLN A 27 10.096 0.781 11.596 1.00 0.00 H new ATOM 0 HE21 GLN A 27 10.094 0.358 13.868 1.00 0.00 H new ATOM 0 HE22 GLN A 27 11.569 0.384 14.842 1.00 0.00 H new ATOM 423 N LEU A 28 10.667 -1.173 8.766 1.00 0.00 N ATOM 424 CA LEU A 28 9.461 -1.900 8.282 1.00 0.00 C ATOM 425 C LEU A 28 9.669 -3.406 8.477 1.00 0.00 C ATOM 426 O LEU A 28 8.761 -4.133 8.825 1.00 0.00 O ATOM 427 CB LEU A 28 9.241 -1.584 6.798 1.00 0.00 C ATOM 428 CG LEU A 28 8.716 -0.154 6.649 1.00 0.00 C ATOM 429 CD1 LEU A 28 8.626 0.197 5.169 1.00 0.00 C ATOM 430 CD2 LEU A 28 7.323 -0.044 7.275 1.00 0.00 C ATOM 0 H LEU A 28 11.189 -0.671 8.048 1.00 0.00 H new ATOM 0 HA LEU A 28 8.583 -1.585 8.846 1.00 0.00 H new ATOM 0 HB2 LEU A 28 10.176 -1.698 6.249 1.00 0.00 H new ATOM 0 HB3 LEU A 28 8.531 -2.290 6.367 1.00 0.00 H new ATOM 0 HG LEU A 28 9.396 0.532 7.154 1.00 0.00 H new ATOM 0 HD11 LEU A 28 8.252 1.215 5.059 1.00 0.00 H new ATOM 0 HD12 LEU A 28 9.615 0.122 4.717 1.00 0.00 H new ATOM 0 HD13 LEU A 28 7.946 -0.495 4.672 1.00 0.00 H new ATOM 0 HD21 LEU A 28 6.955 0.976 7.166 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.643 -0.731 6.772 1.00 0.00 H new ATOM 0 HD23 LEU A 28 7.379 -0.298 8.333 1.00 0.00 H new ATOM 442 N ASN A 29 10.864 -3.874 8.278 1.00 0.00 N ATOM 443 CA ASN A 29 11.145 -5.327 8.462 1.00 0.00 C ATOM 444 C ASN A 29 11.016 -5.701 9.940 1.00 0.00 C ATOM 445 O ASN A 29 10.577 -6.781 10.284 1.00 0.00 O ATOM 446 CB ASN A 29 12.561 -5.634 7.977 1.00 0.00 C ATOM 447 CG ASN A 29 12.645 -5.399 6.467 1.00 0.00 C ATOM 448 OD1 ASN A 29 13.712 -5.471 5.889 1.00 0.00 O ATOM 449 ND2 ASN A 29 11.559 -5.122 5.799 1.00 0.00 N ATOM 0 H ASN A 29 11.666 -3.312 7.994 1.00 0.00 H new ATOM 0 HA ASN A 29 10.426 -5.908 7.885 1.00 0.00 H new ATOM 0 HB2 ASN A 29 13.280 -4.999 8.495 1.00 0.00 H new ATOM 0 HB3 ASN A 29 12.821 -6.667 8.210 1.00 0.00 H new ATOM 0 HD21 ASN A 29 11.605 -4.966 4.792 1.00 0.00 H new ATOM 0 HD22 ASN A 29 10.664 -5.062 6.284 1.00 0.00 H new ATOM 456 N ALA A 30 11.411 -4.820 10.817 1.00 0.00 N ATOM 457 CA ALA A 30 11.330 -5.124 12.271 1.00 0.00 C ATOM 458 C ALA A 30 9.877 -5.391 12.648 1.00 0.00 C ATOM 459 O ALA A 30 9.591 -6.077 13.609 1.00 0.00 O ATOM 460 CB ALA A 30 11.857 -3.933 13.076 1.00 0.00 C ATOM 0 H ALA A 30 11.787 -3.900 10.587 1.00 0.00 H new ATOM 0 HA ALA A 30 11.934 -6.004 12.494 1.00 0.00 H new ATOM 0 HB1 ALA A 30 11.797 -4.158 14.141 1.00 0.00 H new ATOM 0 HB2 ALA A 30 12.895 -3.741 12.804 1.00 0.00 H new ATOM 0 HB3 ALA A 30 11.255 -3.051 12.857 1.00 0.00 H new ATOM 466 N LYS A 31 8.950 -4.858 11.901 1.00 0.00 N ATOM 467 CA LYS A 31 7.518 -5.088 12.225 1.00 0.00 C ATOM 468 C LYS A 31 6.966 -6.185 11.313 1.00 0.00 C ATOM 469 O LYS A 31 5.774 -6.413 11.252 1.00 0.00 O ATOM 470 CB LYS A 31 6.739 -3.787 11.999 1.00 0.00 C ATOM 471 CG LYS A 31 7.366 -2.654 12.822 1.00 0.00 C ATOM 472 CD LYS A 31 6.957 -2.784 14.293 1.00 0.00 C ATOM 473 CE LYS A 31 7.566 -1.633 15.094 1.00 0.00 C ATOM 474 NZ LYS A 31 6.474 -0.797 15.664 1.00 0.00 N ATOM 0 H LYS A 31 9.124 -4.275 11.082 1.00 0.00 H new ATOM 0 HA LYS A 31 7.416 -5.398 13.265 1.00 0.00 H new ATOM 0 HB2 LYS A 31 6.747 -3.527 10.940 1.00 0.00 H new ATOM 0 HB3 LYS A 31 5.696 -3.923 12.286 1.00 0.00 H new ATOM 0 HG2 LYS A 31 8.452 -2.688 12.734 1.00 0.00 H new ATOM 0 HG3 LYS A 31 7.044 -1.689 12.431 1.00 0.00 H new ATOM 0 HD2 LYS A 31 5.871 -2.769 14.382 1.00 0.00 H new ATOM 0 HD3 LYS A 31 7.296 -3.739 14.693 1.00 0.00 H new ATOM 0 HE2 LYS A 31 8.195 -2.024 15.894 1.00 0.00 H new ATOM 0 HE3 LYS A 31 8.206 -1.027 14.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 6.867 -0.154 16.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 6.030 -0.241 14.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 5.760 -1.412 16.105 1.00 0.00 H new ATOM 488 N GLY A 32 7.822 -6.871 10.606 1.00 0.00 N ATOM 489 CA GLY A 32 7.331 -7.956 9.710 1.00 0.00 C ATOM 490 C GLY A 32 6.759 -7.350 8.428 1.00 0.00 C ATOM 491 O GLY A 32 5.964 -7.964 7.745 1.00 0.00 O ATOM 0 H GLY A 32 8.832 -6.729 10.609 1.00 0.00 H new ATOM 0 HA2 GLY A 32 8.147 -8.638 9.468 1.00 0.00 H new ATOM 0 HA3 GLY A 32 6.566 -8.542 10.219 1.00 0.00 H new ATOM 495 N VAL A 33 7.163 -6.156 8.094 1.00 0.00 N ATOM 496 CA VAL A 33 6.645 -5.513 6.851 1.00 0.00 C ATOM 497 C VAL A 33 7.744 -5.499 5.784 1.00 0.00 C ATOM 498 O VAL A 33 8.867 -5.107 6.035 1.00 0.00 O ATOM 499 CB VAL A 33 6.207 -4.079 7.169 1.00 0.00 C ATOM 500 CG1 VAL A 33 5.582 -3.427 5.931 1.00 0.00 C ATOM 501 CG2 VAL A 33 5.182 -4.099 8.304 1.00 0.00 C ATOM 0 H VAL A 33 7.829 -5.597 8.627 1.00 0.00 H new ATOM 0 HA VAL A 33 5.791 -6.076 6.474 1.00 0.00 H new ATOM 0 HB VAL A 33 7.081 -3.502 7.470 1.00 0.00 H new ATOM 0 HG11 VAL A 33 5.276 -2.409 6.171 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.313 -3.405 5.123 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.712 -4.003 5.617 1.00 0.00 H new ATOM 0 HG21 VAL A 33 4.870 -3.079 8.531 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.314 -4.685 8.000 1.00 0.00 H new ATOM 0 HG23 VAL A 33 5.630 -4.547 9.191 1.00 0.00 H new ATOM 511 N ARG A 34 7.423 -5.931 4.594 1.00 0.00 N ATOM 512 CA ARG A 34 8.438 -5.950 3.501 1.00 0.00 C ATOM 513 C ARG A 34 8.421 -4.611 2.760 1.00 0.00 C ATOM 514 O ARG A 34 7.392 -3.976 2.629 1.00 0.00 O ATOM 515 CB ARG A 34 8.107 -7.073 2.520 1.00 0.00 C ATOM 516 CG ARG A 34 8.130 -8.412 3.255 1.00 0.00 C ATOM 517 CD ARG A 34 7.850 -9.540 2.262 1.00 0.00 C ATOM 518 NE ARG A 34 7.559 -10.797 3.009 1.00 0.00 N ATOM 519 CZ ARG A 34 6.784 -11.709 2.482 1.00 0.00 C ATOM 520 NH1 ARG A 34 6.272 -11.528 1.295 1.00 0.00 N ATOM 521 NH2 ARG A 34 6.525 -12.804 3.143 1.00 0.00 N ATOM 0 H ARG A 34 6.499 -6.273 4.331 1.00 0.00 H new ATOM 0 HA ARG A 34 9.426 -6.116 3.929 1.00 0.00 H new ATOM 0 HB2 ARG A 34 7.125 -6.906 2.077 1.00 0.00 H new ATOM 0 HB3 ARG A 34 8.829 -7.082 1.703 1.00 0.00 H new ATOM 0 HG2 ARG A 34 9.100 -8.562 3.730 1.00 0.00 H new ATOM 0 HG3 ARG A 34 7.383 -8.417 4.048 1.00 0.00 H new ATOM 0 HD2 ARG A 34 7.004 -9.278 1.626 1.00 0.00 H new ATOM 0 HD3 ARG A 34 8.709 -9.684 1.607 1.00 0.00 H new ATOM 0 HE ARG A 34 7.965 -10.946 3.933 1.00 0.00 H new ATOM 0 HH11 ARG A 34 6.476 -10.674 0.776 1.00 0.00 H new ATOM 0 HH12 ARG A 34 5.668 -12.241 0.886 1.00 0.00 H new ATOM 0 HH21 ARG A 34 6.927 -12.948 4.069 1.00 0.00 H new ATOM 0 HH22 ARG A 34 5.921 -13.516 2.733 1.00 0.00 H new ATOM 535 N PHE A 35 9.547 -4.177 2.264 1.00 0.00 N ATOM 536 CA PHE A 35 9.585 -2.885 1.525 1.00 0.00 C ATOM 537 C PHE A 35 10.738 -2.930 0.518 1.00 0.00 C ATOM 538 O PHE A 35 11.874 -3.175 0.873 1.00 0.00 O ATOM 539 CB PHE A 35 9.810 -1.742 2.519 1.00 0.00 C ATOM 540 CG PHE A 35 9.409 -0.429 1.886 1.00 0.00 C ATOM 541 CD1 PHE A 35 8.059 -0.030 1.880 1.00 0.00 C ATOM 542 CD2 PHE A 35 10.384 0.393 1.301 1.00 0.00 C ATOM 543 CE1 PHE A 35 7.695 1.186 1.290 1.00 0.00 C ATOM 544 CE2 PHE A 35 10.012 1.609 0.714 1.00 0.00 C ATOM 545 CZ PHE A 35 8.669 2.003 0.709 1.00 0.00 C ATOM 0 H PHE A 35 10.442 -4.661 2.339 1.00 0.00 H new ATOM 0 HA PHE A 35 8.644 -2.723 1.000 1.00 0.00 H new ATOM 0 HB2 PHE A 35 9.226 -1.914 3.423 1.00 0.00 H new ATOM 0 HB3 PHE A 35 10.858 -1.708 2.817 1.00 0.00 H new ATOM 0 HD1 PHE A 35 7.306 -0.660 2.329 1.00 0.00 H new ATOM 0 HD2 PHE A 35 11.420 0.088 1.303 1.00 0.00 H new ATOM 0 HE1 PHE A 35 6.660 1.494 1.284 1.00 0.00 H new ATOM 0 HE2 PHE A 35 10.762 2.243 0.265 1.00 0.00 H new ATOM 0 HZ PHE A 35 8.385 2.941 0.255 1.00 0.00 H new ATOM 555 N GLU A 36 10.460 -2.704 -0.736 1.00 0.00 N ATOM 556 CA GLU A 36 11.542 -2.749 -1.761 1.00 0.00 C ATOM 557 C GLU A 36 11.344 -1.610 -2.757 1.00 0.00 C ATOM 558 O GLU A 36 10.329 -0.949 -2.753 1.00 0.00 O ATOM 559 CB GLU A 36 11.478 -4.082 -2.506 1.00 0.00 C ATOM 560 CG GLU A 36 11.722 -5.225 -1.524 1.00 0.00 C ATOM 561 CD GLU A 36 13.144 -5.127 -0.968 1.00 0.00 C ATOM 562 OE1 GLU A 36 13.948 -4.437 -1.574 1.00 0.00 O ATOM 563 OE2 GLU A 36 13.406 -5.743 0.051 1.00 0.00 O ATOM 0 H GLU A 36 9.530 -2.490 -1.096 1.00 0.00 H new ATOM 0 HA GLU A 36 12.511 -2.646 -1.272 1.00 0.00 H new ATOM 0 HB2 GLU A 36 10.504 -4.199 -2.982 1.00 0.00 H new ATOM 0 HB3 GLU A 36 12.225 -4.104 -3.299 1.00 0.00 H new ATOM 0 HG2 GLU A 36 10.998 -5.180 -0.710 1.00 0.00 H new ATOM 0 HG3 GLU A 36 11.581 -6.184 -2.023 1.00 0.00 H new ATOM 570 N ARG A 37 12.306 -1.369 -3.606 1.00 0.00 N ATOM 571 CA ARG A 37 12.156 -0.260 -4.591 1.00 0.00 C ATOM 572 C ARG A 37 11.873 -0.833 -5.982 1.00 0.00 C ATOM 573 O ARG A 37 12.713 -1.486 -6.569 1.00 0.00 O ATOM 574 CB ARG A 37 13.447 0.555 -4.629 1.00 0.00 C ATOM 575 CG ARG A 37 13.695 1.167 -3.249 1.00 0.00 C ATOM 576 CD ARG A 37 14.970 2.011 -3.278 1.00 0.00 C ATOM 577 NE ARG A 37 14.725 3.256 -4.061 1.00 0.00 N ATOM 578 CZ ARG A 37 14.974 3.294 -5.344 1.00 0.00 C ATOM 579 NH1 ARG A 37 15.438 2.238 -5.959 1.00 0.00 N ATOM 580 NH2 ARG A 37 14.753 4.389 -6.017 1.00 0.00 N ATOM 0 H ARG A 37 13.183 -1.887 -3.660 1.00 0.00 H new ATOM 0 HA ARG A 37 11.325 0.379 -4.293 1.00 0.00 H new ATOM 0 HB2 ARG A 37 14.285 -0.081 -4.914 1.00 0.00 H new ATOM 0 HB3 ARG A 37 13.373 1.341 -5.381 1.00 0.00 H new ATOM 0 HG2 ARG A 37 12.846 1.785 -2.957 1.00 0.00 H new ATOM 0 HG3 ARG A 37 13.787 0.378 -2.502 1.00 0.00 H new ATOM 0 HD2 ARG A 37 15.276 2.262 -2.262 1.00 0.00 H new ATOM 0 HD3 ARG A 37 15.785 1.442 -3.725 1.00 0.00 H new ATOM 0 HE ARG A 37 14.360 4.085 -3.592 1.00 0.00 H new ATOM 0 HH11 ARG A 37 15.608 1.378 -5.438 1.00 0.00 H new ATOM 0 HH12 ARG A 37 15.630 2.274 -6.960 1.00 0.00 H new ATOM 0 HH21 ARG A 37 14.386 5.214 -5.542 1.00 0.00 H new ATOM 0 HH22 ARG A 37 14.947 4.420 -7.018 1.00 0.00 H new ATOM 594 N TRP A 38 10.696 -0.609 -6.518 1.00 0.00 N ATOM 595 CA TRP A 38 10.385 -1.164 -7.869 1.00 0.00 C ATOM 596 C TRP A 38 10.504 -0.054 -8.909 1.00 0.00 C ATOM 597 O TRP A 38 10.285 1.106 -8.623 1.00 0.00 O ATOM 598 CB TRP A 38 8.957 -1.725 -7.898 1.00 0.00 C ATOM 599 CG TRP A 38 8.857 -2.919 -7.015 1.00 0.00 C ATOM 600 CD1 TRP A 38 8.889 -2.899 -5.665 1.00 0.00 C ATOM 601 CD2 TRP A 38 8.699 -4.307 -7.403 1.00 0.00 C ATOM 602 NE1 TRP A 38 8.746 -4.193 -5.197 1.00 0.00 N ATOM 603 CE2 TRP A 38 8.626 -5.098 -6.233 1.00 0.00 C ATOM 604 CE3 TRP A 38 8.609 -4.946 -8.648 1.00 0.00 C ATOM 605 CZ2 TRP A 38 8.467 -6.481 -6.300 1.00 0.00 C ATOM 606 CZ3 TRP A 38 8.453 -6.334 -8.720 1.00 0.00 C ATOM 607 CH2 TRP A 38 8.380 -7.101 -7.553 1.00 0.00 C ATOM 0 H TRP A 38 9.947 -0.072 -6.082 1.00 0.00 H new ATOM 0 HA TRP A 38 11.089 -1.966 -8.092 1.00 0.00 H new ATOM 0 HB2 TRP A 38 8.252 -0.961 -7.571 1.00 0.00 H new ATOM 0 HB3 TRP A 38 8.685 -1.994 -8.919 1.00 0.00 H new ATOM 0 HD1 TRP A 38 9.007 -2.018 -5.052 1.00 0.00 H new ATOM 0 HE1 TRP A 38 8.731 -4.447 -4.209 1.00 0.00 H new ATOM 0 HE3 TRP A 38 8.660 -4.363 -9.556 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 8.411 -7.068 -5.395 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 8.388 -6.817 -9.684 1.00 0.00 H new ATOM 0 HH2 TRP A 38 8.256 -8.172 -7.618 1.00 0.00 H new ATOM 618 N GLN A 39 10.862 -0.399 -10.113 1.00 0.00 N ATOM 619 CA GLN A 39 11.002 0.640 -11.169 1.00 0.00 C ATOM 620 C GLN A 39 9.721 0.693 -12.005 1.00 0.00 C ATOM 621 O GLN A 39 9.376 -0.250 -12.688 1.00 0.00 O ATOM 622 CB GLN A 39 12.196 0.294 -12.066 1.00 0.00 C ATOM 623 CG GLN A 39 13.466 0.197 -11.214 1.00 0.00 C ATOM 624 CD GLN A 39 13.805 1.574 -10.639 1.00 0.00 C ATOM 625 OE1 GLN A 39 13.293 1.956 -9.605 1.00 0.00 O ATOM 626 NE2 GLN A 39 14.650 2.342 -11.270 1.00 0.00 N ATOM 0 H GLN A 39 11.063 -1.353 -10.411 1.00 0.00 H new ATOM 0 HA GLN A 39 11.169 1.613 -10.707 1.00 0.00 H new ATOM 0 HB2 GLN A 39 12.017 -0.651 -12.579 1.00 0.00 H new ATOM 0 HB3 GLN A 39 12.319 1.056 -12.835 1.00 0.00 H new ATOM 0 HG2 GLN A 39 13.320 -0.520 -10.406 1.00 0.00 H new ATOM 0 HG3 GLN A 39 14.295 -0.170 -11.819 1.00 0.00 H new ATOM 0 HE21 GLN A 39 15.080 2.022 -12.138 1.00 0.00 H new ATOM 0 HE22 GLN A 39 14.881 3.262 -10.896 1.00 0.00 H new ATOM 635 N ALA A 40 9.016 1.790 -11.961 1.00 0.00 N ATOM 636 CA ALA A 40 7.761 1.901 -12.755 1.00 0.00 C ATOM 637 C ALA A 40 8.090 2.437 -14.152 1.00 0.00 C ATOM 638 O ALA A 40 7.526 3.412 -14.608 1.00 0.00 O ATOM 639 CB ALA A 40 6.784 2.846 -12.045 1.00 0.00 C ATOM 0 H ALA A 40 9.255 2.614 -11.409 1.00 0.00 H new ATOM 0 HA ALA A 40 7.298 0.919 -12.848 1.00 0.00 H new ATOM 0 HB1 ALA A 40 5.866 2.926 -12.628 1.00 0.00 H new ATOM 0 HB2 ALA A 40 6.552 2.453 -11.055 1.00 0.00 H new ATOM 0 HB3 ALA A 40 7.238 3.832 -11.947 1.00 0.00 H new ATOM 645 N ASP A 41 9.004 1.801 -14.835 1.00 0.00 N ATOM 646 CA ASP A 41 9.381 2.260 -16.201 1.00 0.00 C ATOM 647 C ASP A 41 8.598 1.464 -17.248 1.00 0.00 C ATOM 648 O ASP A 41 8.743 1.675 -18.436 1.00 0.00 O ATOM 649 CB ASP A 41 10.882 2.063 -16.420 1.00 0.00 C ATOM 650 CG ASP A 41 11.658 3.004 -15.497 1.00 0.00 C ATOM 651 OD1 ASP A 41 11.041 3.895 -14.939 1.00 0.00 O ATOM 652 OD2 ASP A 41 12.857 2.818 -15.365 1.00 0.00 O ATOM 0 H ASP A 41 9.508 0.979 -14.502 1.00 0.00 H new ATOM 0 HA ASP A 41 9.141 3.319 -16.300 1.00 0.00 H new ATOM 0 HB2 ASP A 41 11.158 1.028 -16.217 1.00 0.00 H new ATOM 0 HB3 ASP A 41 11.138 2.263 -17.460 1.00 0.00 H new ATOM 657 N ARG A 42 7.778 0.542 -16.822 1.00 0.00 N ATOM 658 CA ARG A 42 7.002 -0.270 -17.802 1.00 0.00 C ATOM 659 C ARG A 42 5.726 0.484 -18.185 1.00 0.00 C ATOM 660 O ARG A 42 4.952 0.884 -17.338 1.00 0.00 O ATOM 661 CB ARG A 42 6.621 -1.599 -17.146 1.00 0.00 C ATOM 662 CG ARG A 42 7.889 -2.329 -16.691 1.00 0.00 C ATOM 663 CD ARG A 42 7.567 -3.235 -15.499 1.00 0.00 C ATOM 664 NE ARG A 42 8.836 -3.757 -14.915 1.00 0.00 N ATOM 665 CZ ARG A 42 8.915 -4.006 -13.634 1.00 0.00 C ATOM 666 NH1 ARG A 42 7.875 -3.828 -12.864 1.00 0.00 N ATOM 667 NH2 ARG A 42 10.033 -4.443 -13.123 1.00 0.00 N ATOM 0 H ARG A 42 7.612 0.316 -15.841 1.00 0.00 H new ATOM 0 HA ARG A 42 7.602 -0.450 -18.694 1.00 0.00 H new ATOM 0 HB2 ARG A 42 5.966 -1.421 -16.293 1.00 0.00 H new ATOM 0 HB3 ARG A 42 6.066 -2.218 -17.851 1.00 0.00 H new ATOM 0 HG2 ARG A 42 8.292 -2.922 -17.512 1.00 0.00 H new ATOM 0 HG3 ARG A 42 8.656 -1.606 -16.413 1.00 0.00 H new ATOM 0 HD2 ARG A 42 7.009 -2.679 -14.746 1.00 0.00 H new ATOM 0 HD3 ARG A 42 6.933 -4.063 -15.818 1.00 0.00 H new ATOM 0 HE ARG A 42 9.644 -3.920 -15.516 1.00 0.00 H new ATOM 0 HH11 ARG A 42 6.997 -3.494 -13.262 1.00 0.00 H new ATOM 0 HH12 ARG A 42 7.941 -4.023 -11.865 1.00 0.00 H new ATOM 0 HH21 ARG A 42 10.845 -4.590 -13.723 1.00 0.00 H new ATOM 0 HH22 ARG A 42 10.095 -4.637 -12.124 1.00 0.00 H new ATOM 681 N ASP A 43 5.516 0.687 -19.460 1.00 0.00 N ATOM 682 CA ASP A 43 4.300 1.420 -19.929 1.00 0.00 C ATOM 683 C ASP A 43 3.225 0.434 -20.401 1.00 0.00 C ATOM 684 O ASP A 43 3.489 -0.475 -21.167 1.00 0.00 O ATOM 685 CB ASP A 43 4.676 2.350 -21.077 1.00 0.00 C ATOM 686 CG ASP A 43 3.455 3.189 -21.455 1.00 0.00 C ATOM 687 OD1 ASP A 43 2.477 3.135 -20.726 1.00 0.00 O ATOM 688 OD2 ASP A 43 3.520 3.868 -22.464 1.00 0.00 O ATOM 0 H ASP A 43 6.140 0.374 -20.203 1.00 0.00 H new ATOM 0 HA ASP A 43 3.901 2.002 -19.098 1.00 0.00 H new ATOM 0 HB2 ASP A 43 5.502 2.998 -20.782 1.00 0.00 H new ATOM 0 HB3 ASP A 43 5.016 1.771 -21.936 1.00 0.00 H new ATOM 693 N LEU A 44 2.014 0.614 -19.945 1.00 0.00 N ATOM 694 CA LEU A 44 0.903 -0.292 -20.351 1.00 0.00 C ATOM 695 C LEU A 44 -0.028 0.444 -21.301 1.00 0.00 C ATOM 696 O LEU A 44 -1.129 0.009 -21.577 1.00 0.00 O ATOM 697 CB LEU A 44 0.127 -0.757 -19.121 1.00 0.00 C ATOM 698 CG LEU A 44 0.900 -0.450 -17.835 1.00 0.00 C ATOM 699 CD1 LEU A 44 2.336 -0.949 -17.937 1.00 0.00 C ATOM 700 CD2 LEU A 44 0.899 1.050 -17.566 1.00 0.00 C ATOM 0 H LEU A 44 1.746 1.359 -19.302 1.00 0.00 H new ATOM 0 HA LEU A 44 1.319 -1.165 -20.853 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.845 -0.264 -19.092 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.061 -1.828 -19.189 1.00 0.00 H new ATOM 0 HG LEU A 44 0.407 -0.965 -17.011 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.867 -0.721 -17.013 1.00 0.00 H new ATOM 0 HD12 LEU A 44 2.336 -2.027 -18.099 1.00 0.00 H new ATOM 0 HD13 LEU A 44 2.834 -0.457 -18.773 1.00 0.00 H new ATOM 0 HD21 LEU A 44 1.452 1.256 -16.649 1.00 0.00 H new ATOM 0 HD22 LEU A 44 1.372 1.569 -18.399 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -0.128 1.399 -17.457 1.00 0.00 H new ATOM 712 N GLY A 45 0.406 1.563 -21.791 1.00 0.00 N ATOM 713 CA GLY A 45 -0.444 2.346 -22.718 1.00 0.00 C ATOM 714 C GLY A 45 -0.498 3.792 -22.238 1.00 0.00 C ATOM 715 O GLY A 45 0.458 4.298 -21.683 1.00 0.00 O ATOM 0 H GLY A 45 1.318 1.972 -21.589 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -0.040 2.300 -23.729 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -1.448 1.924 -22.756 1.00 0.00 H new ATOM 719 N ALA A 46 -1.597 4.474 -22.434 1.00 0.00 N ATOM 720 CA ALA A 46 -1.671 5.881 -21.954 1.00 0.00 C ATOM 721 C ALA A 46 -2.417 5.906 -20.618 1.00 0.00 C ATOM 722 O ALA A 46 -1.874 6.284 -19.601 1.00 0.00 O ATOM 723 CB ALA A 46 -2.437 6.718 -22.985 1.00 0.00 C ATOM 0 H ALA A 46 -2.434 4.122 -22.899 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.669 6.290 -21.824 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.497 7.751 -22.643 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.916 6.682 -23.942 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.443 6.316 -23.104 1.00 0.00 H new ATOM 729 N ALA A 47 -3.652 5.485 -20.610 1.00 0.00 N ATOM 730 CA ALA A 47 -4.416 5.465 -19.330 1.00 0.00 C ATOM 731 C ALA A 47 -4.270 4.070 -18.688 1.00 0.00 C ATOM 732 O ALA A 47 -4.511 3.069 -19.332 1.00 0.00 O ATOM 733 CB ALA A 47 -5.896 5.762 -19.596 1.00 0.00 C ATOM 0 H ALA A 47 -4.163 5.156 -21.429 1.00 0.00 H new ATOM 0 HA ALA A 47 -4.024 6.227 -18.657 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -6.445 5.745 -18.655 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -5.993 6.746 -20.055 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -6.304 5.007 -20.268 1.00 0.00 H new ATOM 739 N PRO A 48 -3.875 3.987 -17.441 1.00 0.00 N ATOM 740 CA PRO A 48 -3.705 2.685 -16.749 1.00 0.00 C ATOM 741 C PRO A 48 -5.040 2.070 -16.345 1.00 0.00 C ATOM 742 O PRO A 48 -5.873 2.708 -15.733 1.00 0.00 O ATOM 743 CB PRO A 48 -2.892 3.032 -15.511 1.00 0.00 C ATOM 744 CG PRO A 48 -3.233 4.452 -15.217 1.00 0.00 C ATOM 745 CD PRO A 48 -3.550 5.107 -16.560 1.00 0.00 C ATOM 0 HA PRO A 48 -3.226 1.947 -17.393 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -3.149 2.382 -14.674 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -1.824 2.911 -15.692 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -4.088 4.515 -14.543 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -2.402 4.957 -14.725 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -4.385 5.802 -16.476 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -2.699 5.675 -16.936 1.00 0.00 H new ATOM 753 N THR A 49 -5.239 0.827 -16.671 1.00 0.00 N ATOM 754 CA THR A 49 -6.512 0.134 -16.304 1.00 0.00 C ATOM 755 C THR A 49 -6.215 -0.972 -15.291 1.00 0.00 C ATOM 756 O THR A 49 -5.081 -1.187 -14.910 1.00 0.00 O ATOM 757 CB THR A 49 -7.140 -0.498 -17.550 1.00 0.00 C ATOM 758 OG1 THR A 49 -6.611 0.110 -18.719 1.00 0.00 O ATOM 759 CG2 THR A 49 -8.653 -0.299 -17.504 1.00 0.00 C ATOM 0 H THR A 49 -4.570 0.251 -17.182 1.00 0.00 H new ATOM 0 HA THR A 49 -7.200 0.862 -15.875 1.00 0.00 H new ATOM 0 HB THR A 49 -6.911 -1.564 -17.572 1.00 0.00 H new ATOM 0 HG1 THR A 49 -7.015 -0.300 -19.512 1.00 0.00 H new ATOM 0 HG21 THR A 49 -9.106 -0.747 -18.389 1.00 0.00 H new ATOM 0 HG22 THR A 49 -9.056 -0.775 -16.610 1.00 0.00 H new ATOM 0 HG23 THR A 49 -8.879 0.767 -17.481 1.00 0.00 H new ATOM 767 N ALA A 50 -7.218 -1.682 -14.844 1.00 0.00 N ATOM 768 CA ALA A 50 -6.955 -2.764 -13.857 1.00 0.00 C ATOM 769 C ALA A 50 -6.450 -4.021 -14.567 1.00 0.00 C ATOM 770 O ALA A 50 -5.426 -4.570 -14.215 1.00 0.00 O ATOM 771 CB ALA A 50 -8.260 -3.087 -13.127 1.00 0.00 C ATOM 0 H ALA A 50 -8.193 -1.560 -15.116 1.00 0.00 H new ATOM 0 HA ALA A 50 -6.195 -2.432 -13.150 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -8.083 -3.879 -12.399 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -8.620 -2.196 -12.613 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -9.008 -3.417 -13.848 1.00 0.00 H new ATOM 777 N GLU A 51 -7.169 -4.495 -15.542 1.00 0.00 N ATOM 778 CA GLU A 51 -6.728 -5.727 -16.254 1.00 0.00 C ATOM 779 C GLU A 51 -5.416 -5.451 -16.987 1.00 0.00 C ATOM 780 O GLU A 51 -4.536 -6.284 -17.041 1.00 0.00 O ATOM 781 CB GLU A 51 -7.795 -6.146 -17.264 1.00 0.00 C ATOM 782 CG GLU A 51 -7.391 -7.469 -17.919 1.00 0.00 C ATOM 783 CD GLU A 51 -8.399 -7.823 -19.013 1.00 0.00 C ATOM 784 OE1 GLU A 51 -9.342 -7.070 -19.189 1.00 0.00 O ATOM 785 OE2 GLU A 51 -8.212 -8.844 -19.656 1.00 0.00 O ATOM 0 H GLU A 51 -8.041 -4.086 -15.878 1.00 0.00 H new ATOM 0 HA GLU A 51 -6.580 -6.528 -15.530 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -8.759 -6.254 -16.766 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -7.914 -5.374 -18.024 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -6.391 -7.387 -18.344 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -7.356 -8.262 -17.172 1.00 0.00 H new ATOM 792 N THR A 52 -5.291 -4.292 -17.568 1.00 0.00 N ATOM 793 CA THR A 52 -4.041 -4.006 -18.315 1.00 0.00 C ATOM 794 C THR A 52 -2.893 -3.885 -17.309 1.00 0.00 C ATOM 795 O THR A 52 -1.951 -4.639 -17.349 1.00 0.00 O ATOM 796 CB THR A 52 -4.210 -2.679 -19.054 1.00 0.00 C ATOM 797 OG1 THR A 52 -4.719 -2.906 -20.358 1.00 0.00 O ATOM 798 CG2 THR A 52 -2.872 -1.958 -19.140 1.00 0.00 C ATOM 0 H THR A 52 -5.986 -3.545 -17.559 1.00 0.00 H new ATOM 0 HA THR A 52 -3.827 -4.802 -19.029 1.00 0.00 H new ATOM 0 HB THR A 52 -4.916 -2.058 -18.503 1.00 0.00 H new ATOM 0 HG1 THR A 52 -4.825 -2.049 -20.822 1.00 0.00 H new ATOM 0 HG21 THR A 52 -3.001 -1.013 -19.668 1.00 0.00 H new ATOM 0 HG22 THR A 52 -2.498 -1.764 -18.135 1.00 0.00 H new ATOM 0 HG23 THR A 52 -2.157 -2.580 -19.679 1.00 0.00 H new ATOM 806 N VAL A 53 -2.954 -2.932 -16.431 1.00 0.00 N ATOM 807 CA VAL A 53 -1.839 -2.753 -15.456 1.00 0.00 C ATOM 808 C VAL A 53 -1.525 -4.117 -14.837 1.00 0.00 C ATOM 809 O VAL A 53 -0.413 -4.393 -14.439 1.00 0.00 O ATOM 810 CB VAL A 53 -2.285 -1.785 -14.356 1.00 0.00 C ATOM 811 CG1 VAL A 53 -1.192 -1.653 -13.288 1.00 0.00 C ATOM 812 CG2 VAL A 53 -2.559 -0.411 -14.972 1.00 0.00 C ATOM 0 H VAL A 53 -3.723 -2.268 -16.342 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.956 -2.351 -15.953 1.00 0.00 H new ATOM 0 HB VAL A 53 -3.191 -2.172 -13.890 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.523 -0.962 -12.513 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -0.997 -2.629 -12.845 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -0.279 -1.274 -13.747 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -2.877 0.281 -14.192 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -1.650 -0.035 -15.442 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -3.346 -0.499 -15.722 1.00 0.00 H new ATOM 822 N ILE A 54 -2.503 -4.966 -14.763 1.00 0.00 N ATOM 823 CA ILE A 54 -2.281 -6.319 -14.181 1.00 0.00 C ATOM 824 C ILE A 54 -1.378 -7.146 -15.097 1.00 0.00 C ATOM 825 O ILE A 54 -0.379 -7.690 -14.669 1.00 0.00 O ATOM 826 CB ILE A 54 -3.617 -7.040 -14.008 1.00 0.00 C ATOM 827 CG1 ILE A 54 -4.103 -6.837 -12.575 1.00 0.00 C ATOM 828 CG2 ILE A 54 -3.448 -8.540 -14.285 1.00 0.00 C ATOM 829 CD1 ILE A 54 -5.509 -7.416 -12.425 1.00 0.00 C ATOM 0 H ILE A 54 -3.455 -4.784 -15.082 1.00 0.00 H new ATOM 0 HA ILE A 54 -1.801 -6.203 -13.209 1.00 0.00 H new ATOM 0 HB ILE A 54 -4.344 -6.634 -14.711 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -3.422 -7.323 -11.877 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -4.108 -5.775 -12.329 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -4.406 -9.044 -14.159 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -3.094 -8.684 -15.306 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -2.723 -8.959 -13.587 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -5.855 -7.271 -11.402 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -6.186 -6.909 -13.113 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -5.490 -8.482 -12.654 1.00 0.00 H new ATOM 841 N ALA A 55 -1.734 -7.272 -16.346 1.00 0.00 N ATOM 842 CA ALA A 55 -0.913 -8.098 -17.279 1.00 0.00 C ATOM 843 C ALA A 55 0.471 -7.469 -17.471 1.00 0.00 C ATOM 844 O ALA A 55 1.455 -8.158 -17.651 1.00 0.00 O ATOM 845 CB ALA A 55 -1.610 -8.188 -18.629 1.00 0.00 C ATOM 0 H ALA A 55 -2.558 -6.839 -16.762 1.00 0.00 H new ATOM 0 HA ALA A 55 -0.797 -9.095 -16.853 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -1.009 -8.792 -19.309 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -2.589 -8.650 -18.503 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -1.732 -7.187 -19.043 1.00 0.00 H new ATOM 851 N ALA A 56 0.548 -6.171 -17.487 1.00 0.00 N ATOM 852 CA ALA A 56 1.880 -5.546 -17.724 1.00 0.00 C ATOM 853 C ALA A 56 2.782 -5.799 -16.524 1.00 0.00 C ATOM 854 O ALA A 56 3.859 -6.342 -16.671 1.00 0.00 O ATOM 855 CB ALA A 56 1.687 -4.053 -17.868 1.00 0.00 C ATOM 0 H ALA A 56 -0.231 -5.527 -17.350 1.00 0.00 H new ATOM 0 HA ALA A 56 2.332 -5.969 -18.621 1.00 0.00 H new ATOM 0 HB1 ALA A 56 2.652 -3.577 -18.042 1.00 0.00 H new ATOM 0 HB2 ALA A 56 1.025 -3.851 -18.710 1.00 0.00 H new ATOM 0 HB3 ALA A 56 1.245 -3.654 -16.955 1.00 0.00 H new ATOM 861 N TYR A 57 2.425 -5.365 -15.344 1.00 0.00 N ATOM 862 CA TYR A 57 3.338 -5.577 -14.200 1.00 0.00 C ATOM 863 C TYR A 57 3.213 -7.028 -13.752 1.00 0.00 C ATOM 864 O TYR A 57 3.616 -7.400 -12.668 1.00 0.00 O ATOM 865 CB TYR A 57 2.953 -4.625 -13.058 1.00 0.00 C ATOM 866 CG TYR A 57 3.205 -3.181 -13.466 1.00 0.00 C ATOM 867 CD1 TYR A 57 4.494 -2.633 -13.357 1.00 0.00 C ATOM 868 CD2 TYR A 57 2.151 -2.383 -13.939 1.00 0.00 C ATOM 869 CE1 TYR A 57 4.725 -1.297 -13.722 1.00 0.00 C ATOM 870 CE2 TYR A 57 2.383 -1.049 -14.303 1.00 0.00 C ATOM 871 CZ TYR A 57 3.671 -0.508 -14.194 1.00 0.00 C ATOM 872 OH TYR A 57 3.903 0.802 -14.558 1.00 0.00 O ATOM 0 H TYR A 57 1.553 -4.881 -15.131 1.00 0.00 H new ATOM 0 HA TYR A 57 4.369 -5.372 -14.487 1.00 0.00 H new ATOM 0 HB2 TYR A 57 1.902 -4.760 -12.802 1.00 0.00 H new ATOM 0 HB3 TYR A 57 3.531 -4.864 -12.166 1.00 0.00 H new ATOM 0 HD1 TYR A 57 5.309 -3.241 -12.992 1.00 0.00 H new ATOM 0 HD2 TYR A 57 1.158 -2.798 -14.023 1.00 0.00 H new ATOM 0 HE1 TYR A 57 5.717 -0.878 -13.638 1.00 0.00 H new ATOM 0 HE2 TYR A 57 1.570 -0.439 -14.667 1.00 0.00 H new ATOM 0 HH TYR A 57 4.235 0.832 -15.480 1.00 0.00 H new ATOM 882 N GLN A 58 2.642 -7.845 -14.589 1.00 0.00 N ATOM 883 CA GLN A 58 2.479 -9.273 -14.232 1.00 0.00 C ATOM 884 C GLN A 58 3.853 -9.909 -14.070 1.00 0.00 C ATOM 885 O GLN A 58 4.100 -10.645 -13.137 1.00 0.00 O ATOM 886 CB GLN A 58 1.713 -9.984 -15.343 1.00 0.00 C ATOM 887 CG GLN A 58 1.376 -11.410 -14.910 1.00 0.00 C ATOM 888 CD GLN A 58 -0.072 -11.465 -14.417 1.00 0.00 C ATOM 889 OE1 GLN A 58 -0.408 -10.811 -13.340 1.00 0.00 O flip ATOM 890 NE2 GLN A 58 -0.911 -12.095 -15.030 1.00 0.00 N flip ATOM 0 H GLN A 58 2.281 -7.582 -15.506 1.00 0.00 H new ATOM 0 HA GLN A 58 1.926 -9.360 -13.297 1.00 0.00 H new ATOM 0 HB2 GLN A 58 0.798 -9.438 -15.573 1.00 0.00 H new ATOM 0 HB3 GLN A 58 2.310 -10.003 -16.255 1.00 0.00 H new ATOM 0 HG2 GLN A 58 1.513 -12.097 -15.745 1.00 0.00 H new ATOM 0 HG3 GLN A 58 2.053 -11.731 -14.119 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -0.650 -12.607 -15.873 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -1.877 -12.112 -14.702 1.00 0.00 H new ATOM 899 N HIS A 59 4.747 -9.635 -14.980 1.00 0.00 N ATOM 900 CA HIS A 59 6.109 -10.225 -14.893 1.00 0.00 C ATOM 901 C HIS A 59 6.750 -9.822 -13.563 1.00 0.00 C ATOM 902 O HIS A 59 7.598 -10.515 -13.035 1.00 0.00 O ATOM 903 CB HIS A 59 6.963 -9.707 -16.055 1.00 0.00 C ATOM 904 CG HIS A 59 7.579 -8.391 -15.673 1.00 0.00 C ATOM 905 ND1 HIS A 59 8.950 -8.173 -15.703 1.00 0.00 N ATOM 906 CD2 HIS A 59 7.020 -7.210 -15.255 1.00 0.00 C ATOM 907 CE1 HIS A 59 9.166 -6.903 -15.313 1.00 0.00 C ATOM 908 NE2 HIS A 59 8.022 -6.276 -15.030 1.00 0.00 N ATOM 0 H HIS A 59 4.590 -9.025 -15.783 1.00 0.00 H new ATOM 0 HA HIS A 59 6.044 -11.312 -14.950 1.00 0.00 H new ATOM 0 HB2 HIS A 59 7.742 -10.429 -16.298 1.00 0.00 H new ATOM 0 HB3 HIS A 59 6.349 -9.588 -16.948 1.00 0.00 H new ATOM 0 HD1 HIS A 59 9.663 -8.851 -15.971 1.00 0.00 H new ATOM 0 HD2 HIS A 59 5.963 -7.034 -15.121 1.00 0.00 H new ATOM 0 HE1 HIS A 59 10.143 -6.448 -15.238 1.00 0.00 H new ATOM 917 N ALA A 60 6.340 -8.708 -13.014 1.00 0.00 N ATOM 918 CA ALA A 60 6.914 -8.255 -11.712 1.00 0.00 C ATOM 919 C ALA A 60 6.272 -9.055 -10.575 1.00 0.00 C ATOM 920 O ALA A 60 6.868 -9.265 -9.540 1.00 0.00 O ATOM 921 CB ALA A 60 6.631 -6.755 -11.512 1.00 0.00 C ATOM 0 H ALA A 60 5.631 -8.092 -13.412 1.00 0.00 H new ATOM 0 HA ALA A 60 7.992 -8.417 -11.713 1.00 0.00 H new ATOM 0 HB1 ALA A 60 7.052 -6.429 -10.561 1.00 0.00 H new ATOM 0 HB2 ALA A 60 7.086 -6.187 -12.324 1.00 0.00 H new ATOM 0 HB3 ALA A 60 5.554 -6.585 -11.510 1.00 0.00 H new ATOM 927 N ILE A 61 5.061 -9.509 -10.764 1.00 0.00 N ATOM 928 CA ILE A 61 4.376 -10.306 -9.701 1.00 0.00 C ATOM 929 C ILE A 61 5.090 -11.645 -9.495 1.00 0.00 C ATOM 930 O ILE A 61 5.129 -12.172 -8.400 1.00 0.00 O ATOM 931 CB ILE A 61 2.919 -10.557 -10.102 1.00 0.00 C ATOM 932 CG1 ILE A 61 2.190 -9.219 -10.200 1.00 0.00 C ATOM 933 CG2 ILE A 61 2.233 -11.431 -9.049 1.00 0.00 C ATOM 934 CD1 ILE A 61 0.755 -9.458 -10.663 1.00 0.00 C ATOM 0 H ILE A 61 4.514 -9.362 -11.612 1.00 0.00 H new ATOM 0 HA ILE A 61 4.406 -9.744 -8.768 1.00 0.00 H new ATOM 0 HB ILE A 61 2.891 -11.067 -11.065 1.00 0.00 H new ATOM 0 HG12 ILE A 61 2.193 -8.719 -9.232 1.00 0.00 H new ATOM 0 HG13 ILE A 61 2.705 -8.562 -10.900 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.197 -11.606 -9.340 1.00 0.00 H new ATOM 0 HG22 ILE A 61 2.754 -12.385 -8.972 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.258 -10.925 -8.084 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.232 -8.504 -10.734 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.764 -9.941 -11.640 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.243 -10.100 -9.946 1.00 0.00 H new ATOM 946 N ASP A 62 5.633 -12.211 -10.536 1.00 0.00 N ATOM 947 CA ASP A 62 6.321 -13.532 -10.405 1.00 0.00 C ATOM 948 C ASP A 62 7.560 -13.437 -9.493 1.00 0.00 C ATOM 949 O ASP A 62 7.842 -14.332 -8.722 1.00 0.00 O ATOM 950 CB ASP A 62 6.764 -13.991 -11.793 1.00 0.00 C ATOM 951 CG ASP A 62 7.210 -15.453 -11.723 1.00 0.00 C ATOM 952 OD1 ASP A 62 6.357 -16.316 -11.848 1.00 0.00 O ATOM 953 OD2 ASP A 62 8.393 -15.680 -11.547 1.00 0.00 O ATOM 0 H ASP A 62 5.632 -11.817 -11.477 1.00 0.00 H new ATOM 0 HA ASP A 62 5.624 -14.242 -9.960 1.00 0.00 H new ATOM 0 HB2 ASP A 62 5.945 -13.882 -12.503 1.00 0.00 H new ATOM 0 HB3 ASP A 62 7.582 -13.366 -12.152 1.00 0.00 H new ATOM 958 N LYS A 63 8.291 -12.360 -9.567 1.00 0.00 N ATOM 959 CA LYS A 63 9.511 -12.161 -8.716 1.00 0.00 C ATOM 960 C LYS A 63 9.135 -11.502 -7.383 1.00 0.00 C ATOM 961 O LYS A 63 9.911 -11.467 -6.446 1.00 0.00 O ATOM 962 CB LYS A 63 10.510 -11.287 -9.476 1.00 0.00 C ATOM 963 CG LYS A 63 11.885 -11.404 -8.821 1.00 0.00 C ATOM 964 CD LYS A 63 12.786 -10.271 -9.304 1.00 0.00 C ATOM 965 CE LYS A 63 12.549 -9.031 -8.437 1.00 0.00 C ATOM 966 NZ LYS A 63 13.421 -9.099 -7.231 1.00 0.00 N ATOM 0 H LYS A 63 8.092 -11.584 -10.199 1.00 0.00 H new ATOM 0 HA LYS A 63 9.962 -13.129 -8.499 1.00 0.00 H new ATOM 0 HB2 LYS A 63 10.564 -11.599 -10.519 1.00 0.00 H new ATOM 0 HB3 LYS A 63 10.179 -10.248 -9.471 1.00 0.00 H new ATOM 0 HG2 LYS A 63 11.786 -11.365 -7.736 1.00 0.00 H new ATOM 0 HG3 LYS A 63 12.334 -12.367 -9.065 1.00 0.00 H new ATOM 0 HD2 LYS A 63 13.832 -10.574 -9.248 1.00 0.00 H new ATOM 0 HD3 LYS A 63 12.575 -10.044 -10.349 1.00 0.00 H new ATOM 0 HE2 LYS A 63 12.767 -8.128 -9.007 1.00 0.00 H new ATOM 0 HE3 LYS A 63 11.502 -8.976 -8.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 13.262 -8.258 -6.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 13.192 -9.954 -6.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 14.418 -9.132 -7.525 1.00 0.00 H new ATOM 980 N LEU A 64 7.974 -10.934 -7.317 1.00 0.00 N ATOM 981 CA LEU A 64 7.575 -10.231 -6.068 1.00 0.00 C ATOM 982 C LEU A 64 7.670 -11.209 -4.908 1.00 0.00 C ATOM 983 O LEU A 64 8.639 -11.196 -4.173 1.00 0.00 O ATOM 984 CB LEU A 64 6.136 -9.723 -6.206 1.00 0.00 C ATOM 985 CG LEU A 64 5.854 -8.613 -5.198 1.00 0.00 C ATOM 986 CD1 LEU A 64 5.037 -7.519 -5.879 1.00 0.00 C ATOM 987 CD2 LEU A 64 5.096 -9.166 -4.003 1.00 0.00 C ATOM 0 H LEU A 64 7.283 -10.923 -8.067 1.00 0.00 H new ATOM 0 HA LEU A 64 8.234 -9.382 -5.888 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.972 -9.352 -7.218 1.00 0.00 H new ATOM 0 HB3 LEU A 64 5.439 -10.546 -6.052 1.00 0.00 H new ATOM 0 HG LEU A 64 6.797 -8.197 -4.842 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.831 -6.721 -5.165 1.00 0.00 H new ATOM 0 HD12 LEU A 64 5.599 -7.116 -6.721 1.00 0.00 H new ATOM 0 HD13 LEU A 64 4.096 -7.937 -6.237 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.902 -8.363 -3.292 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.150 -9.591 -4.337 1.00 0.00 H new ATOM 0 HD23 LEU A 64 5.692 -9.941 -3.521 1.00 0.00 H new ATOM 999 N VAL A 65 6.731 -12.073 -4.736 1.00 0.00 N ATOM 1000 CA VAL A 65 6.867 -13.046 -3.627 1.00 0.00 C ATOM 1001 C VAL A 65 6.256 -14.364 -4.067 1.00 0.00 C ATOM 1002 O VAL A 65 5.094 -14.431 -4.406 1.00 0.00 O ATOM 1003 CB VAL A 65 6.132 -12.507 -2.390 1.00 0.00 C ATOM 1004 CG1 VAL A 65 4.655 -12.329 -2.725 1.00 0.00 C ATOM 1005 CG2 VAL A 65 6.273 -13.489 -1.225 1.00 0.00 C ATOM 0 H VAL A 65 5.886 -12.154 -5.301 1.00 0.00 H new ATOM 0 HA VAL A 65 7.917 -13.196 -3.375 1.00 0.00 H new ATOM 0 HB VAL A 65 6.567 -11.550 -2.102 1.00 0.00 H new ATOM 0 HG11 VAL A 65 4.127 -11.947 -1.851 1.00 0.00 H new ATOM 0 HG12 VAL A 65 4.551 -11.623 -3.549 1.00 0.00 H new ATOM 0 HG13 VAL A 65 4.229 -13.290 -3.014 1.00 0.00 H new ATOM 0 HG21 VAL A 65 5.749 -13.097 -0.353 1.00 0.00 H new ATOM 0 HG22 VAL A 65 5.843 -14.450 -1.506 1.00 0.00 H new ATOM 0 HG23 VAL A 65 7.328 -13.620 -0.985 1.00 0.00 H new ATOM 1015 N ALA A 66 7.013 -15.420 -4.052 1.00 0.00 N ATOM 1016 CA ALA A 66 6.426 -16.719 -4.463 1.00 0.00 C ATOM 1017 C ALA A 66 5.999 -17.474 -3.202 1.00 0.00 C ATOM 1018 O ALA A 66 6.820 -17.964 -2.457 1.00 0.00 O ATOM 1019 CB ALA A 66 7.490 -17.519 -5.218 1.00 0.00 C ATOM 0 H ALA A 66 7.995 -15.442 -3.778 1.00 0.00 H new ATOM 0 HA ALA A 66 5.562 -16.569 -5.110 1.00 0.00 H new ATOM 0 HB1 ALA A 66 7.073 -18.478 -5.527 1.00 0.00 H new ATOM 0 HB2 ALA A 66 7.808 -16.961 -6.099 1.00 0.00 H new ATOM 0 HB3 ALA A 66 8.347 -17.689 -4.567 1.00 0.00 H new ATOM 1025 N GLU A 67 4.717 -17.577 -2.968 1.00 0.00 N ATOM 1026 CA GLU A 67 4.225 -18.310 -1.765 1.00 0.00 C ATOM 1027 C GLU A 67 2.733 -18.612 -1.923 1.00 0.00 C ATOM 1028 O GLU A 67 2.045 -17.969 -2.692 1.00 0.00 O ATOM 1029 CB GLU A 67 4.450 -17.462 -0.511 1.00 0.00 C ATOM 1030 CG GLU A 67 5.566 -18.085 0.335 1.00 0.00 C ATOM 1031 CD GLU A 67 5.683 -17.331 1.659 1.00 0.00 C ATOM 1032 OE1 GLU A 67 5.004 -16.329 1.808 1.00 0.00 O ATOM 1033 OE2 GLU A 67 6.449 -17.768 2.501 1.00 0.00 O ATOM 0 H GLU A 67 3.987 -17.183 -3.561 1.00 0.00 H new ATOM 0 HA GLU A 67 4.775 -19.246 -1.666 1.00 0.00 H new ATOM 0 HB2 GLU A 67 4.718 -16.443 -0.791 1.00 0.00 H new ATOM 0 HB3 GLU A 67 3.530 -17.402 0.070 1.00 0.00 H new ATOM 0 HG2 GLU A 67 5.351 -19.137 0.521 1.00 0.00 H new ATOM 0 HG3 GLU A 67 6.512 -18.043 -0.204 1.00 0.00 H new ATOM 1040 N LYS A 68 2.219 -19.557 -1.182 1.00 0.00 N ATOM 1041 CA LYS A 68 0.762 -19.872 -1.275 1.00 0.00 C ATOM 1042 C LYS A 68 0.354 -19.984 -2.746 1.00 0.00 C ATOM 1043 O LYS A 68 1.157 -19.814 -3.640 1.00 0.00 O ATOM 1044 CB LYS A 68 -0.044 -18.752 -0.611 1.00 0.00 C ATOM 1045 CG LYS A 68 0.317 -18.671 0.875 1.00 0.00 C ATOM 1046 CD LYS A 68 -0.457 -17.525 1.529 1.00 0.00 C ATOM 1047 CE LYS A 68 -1.856 -18.007 1.919 1.00 0.00 C ATOM 1048 NZ LYS A 68 -2.570 -16.920 2.650 1.00 0.00 N ATOM 0 H LYS A 68 2.744 -20.125 -0.517 1.00 0.00 H new ATOM 0 HA LYS A 68 0.563 -20.817 -0.769 1.00 0.00 H new ATOM 0 HB2 LYS A 68 0.166 -17.800 -1.099 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -1.111 -18.941 -0.727 1.00 0.00 H new ATOM 0 HG2 LYS A 68 0.079 -19.613 1.369 1.00 0.00 H new ATOM 0 HG3 LYS A 68 1.389 -18.512 0.991 1.00 0.00 H new ATOM 0 HD2 LYS A 68 0.075 -17.170 2.411 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -0.530 -16.683 0.841 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -2.416 -18.290 1.028 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -1.785 -18.896 2.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -3.590 -17.122 2.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -2.215 -16.867 3.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -2.403 -16.012 2.171 1.00 0.00 H new ATOM 1062 N GLY A 69 -0.888 -20.286 -3.010 1.00 0.00 N ATOM 1063 CA GLY A 69 -1.330 -20.416 -4.424 1.00 0.00 C ATOM 1064 C GLY A 69 -1.395 -19.033 -5.073 1.00 0.00 C ATOM 1065 O GLY A 69 -2.359 -18.698 -5.729 1.00 0.00 O ATOM 0 H GLY A 69 -1.612 -20.447 -2.310 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -0.638 -21.054 -4.974 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -2.308 -20.895 -4.467 1.00 0.00 H new ATOM 1069 N TYR A 70 -0.378 -18.228 -4.895 1.00 0.00 N ATOM 1070 CA TYR A 70 -0.384 -16.869 -5.508 1.00 0.00 C ATOM 1071 C TYR A 70 -0.952 -16.965 -6.924 1.00 0.00 C ATOM 1072 O TYR A 70 -0.242 -17.225 -7.875 1.00 0.00 O ATOM 1073 CB TYR A 70 1.051 -16.328 -5.566 1.00 0.00 C ATOM 1074 CG TYR A 70 1.207 -15.180 -4.596 1.00 0.00 C ATOM 1075 CD1 TYR A 70 0.736 -15.309 -3.286 1.00 0.00 C ATOM 1076 CD2 TYR A 70 1.824 -13.986 -5.006 1.00 0.00 C ATOM 1077 CE1 TYR A 70 0.875 -14.250 -2.383 1.00 0.00 C ATOM 1078 CE2 TYR A 70 1.967 -12.921 -4.101 1.00 0.00 C ATOM 1079 CZ TYR A 70 1.490 -13.056 -2.789 1.00 0.00 C ATOM 1080 OH TYR A 70 1.622 -12.011 -1.898 1.00 0.00 O ATOM 0 H TYR A 70 0.455 -18.455 -4.352 1.00 0.00 H new ATOM 0 HA TYR A 70 -0.998 -16.196 -4.910 1.00 0.00 H new ATOM 0 HB2 TYR A 70 1.758 -17.121 -5.322 1.00 0.00 H new ATOM 0 HB3 TYR A 70 1.283 -15.995 -6.578 1.00 0.00 H new ATOM 0 HD1 TYR A 70 0.264 -16.228 -2.971 1.00 0.00 H new ATOM 0 HD2 TYR A 70 2.189 -13.887 -6.018 1.00 0.00 H new ATOM 0 HE1 TYR A 70 0.509 -14.351 -1.372 1.00 0.00 H new ATOM 0 HE2 TYR A 70 2.442 -12.003 -4.414 1.00 0.00 H new ATOM 0 HH TYR A 70 1.702 -12.365 -0.988 1.00 0.00 H new ATOM 1090 N GLN A 71 -2.233 -16.765 -7.070 1.00 0.00 N ATOM 1091 CA GLN A 71 -2.848 -16.851 -8.420 1.00 0.00 C ATOM 1092 C GLN A 71 -4.105 -15.977 -8.462 1.00 0.00 C ATOM 1093 O GLN A 71 -5.082 -16.306 -9.106 1.00 0.00 O ATOM 1094 CB GLN A 71 -3.205 -18.308 -8.727 1.00 0.00 C ATOM 1095 CG GLN A 71 -3.436 -18.471 -10.232 1.00 0.00 C ATOM 1096 CD GLN A 71 -3.627 -19.951 -10.560 1.00 0.00 C ATOM 1097 OE1 GLN A 71 -3.469 -20.800 -9.705 1.00 0.00 O ATOM 1098 NE2 GLN A 71 -3.959 -20.300 -11.773 1.00 0.00 N ATOM 0 H GLN A 71 -2.879 -16.546 -6.311 1.00 0.00 H new ATOM 0 HA GLN A 71 -2.142 -16.495 -9.170 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -2.402 -18.967 -8.398 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -4.101 -18.598 -8.177 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -4.314 -17.903 -10.540 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -2.587 -18.071 -10.787 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -4.092 -19.587 -12.491 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -4.086 -21.285 -12.003 1.00 0.00 H new ATOM 1107 N SER A 72 -4.087 -14.856 -7.791 1.00 0.00 N ATOM 1108 CA SER A 72 -5.278 -13.967 -7.823 1.00 0.00 C ATOM 1109 C SER A 72 -4.894 -12.554 -7.371 1.00 0.00 C ATOM 1110 O SER A 72 -4.309 -12.353 -6.325 1.00 0.00 O ATOM 1111 CB SER A 72 -6.343 -14.528 -6.886 1.00 0.00 C ATOM 1112 OG SER A 72 -7.076 -15.553 -7.549 1.00 0.00 O ATOM 0 H SER A 72 -3.305 -14.522 -7.228 1.00 0.00 H new ATOM 0 HA SER A 72 -5.665 -13.919 -8.841 1.00 0.00 H new ATOM 0 HB2 SER A 72 -5.875 -14.927 -5.986 1.00 0.00 H new ATOM 0 HB3 SER A 72 -7.017 -13.733 -6.569 1.00 0.00 H new ATOM 0 HG SER A 72 -6.559 -15.882 -8.314 1.00 0.00 H new ATOM 1118 N TRP A 73 -5.236 -11.586 -8.171 1.00 0.00 N ATOM 1119 CA TRP A 73 -4.916 -10.173 -7.826 1.00 0.00 C ATOM 1120 C TRP A 73 -5.946 -9.228 -8.435 1.00 0.00 C ATOM 1121 O TRP A 73 -6.642 -9.566 -9.372 1.00 0.00 O ATOM 1122 CB TRP A 73 -3.516 -9.815 -8.328 1.00 0.00 C ATOM 1123 CG TRP A 73 -3.042 -10.844 -9.288 1.00 0.00 C ATOM 1124 CD1 TRP A 73 -3.266 -10.821 -10.617 1.00 0.00 C ATOM 1125 CD2 TRP A 73 -2.249 -12.034 -9.023 1.00 0.00 C ATOM 1126 NE1 TRP A 73 -2.656 -11.921 -11.188 1.00 0.00 N ATOM 1127 CE2 TRP A 73 -2.018 -12.700 -10.246 1.00 0.00 C ATOM 1128 CE3 TRP A 73 -1.713 -12.593 -7.850 1.00 0.00 C ATOM 1129 CZ2 TRP A 73 -1.279 -13.877 -10.308 1.00 0.00 C ATOM 1130 CZ3 TRP A 73 -0.966 -13.781 -7.908 1.00 0.00 C ATOM 1131 CH2 TRP A 73 -0.748 -14.421 -9.136 1.00 0.00 C ATOM 0 H TRP A 73 -5.727 -11.713 -9.056 1.00 0.00 H new ATOM 0 HA TRP A 73 -4.944 -10.066 -6.742 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -3.532 -8.837 -8.809 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -2.826 -9.745 -7.487 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -3.829 -10.067 -11.147 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -2.675 -12.132 -12.186 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -1.876 -12.107 -6.900 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -1.117 -14.367 -11.257 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -0.557 -14.204 -7.002 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -0.171 -15.333 -9.176 1.00 0.00 H new ATOM 1142 N ASP A 74 -6.047 -8.042 -7.899 1.00 0.00 N ATOM 1143 CA ASP A 74 -7.034 -7.062 -8.432 1.00 0.00 C ATOM 1144 C ASP A 74 -6.452 -5.647 -8.356 1.00 0.00 C ATOM 1145 O ASP A 74 -5.437 -5.417 -7.738 1.00 0.00 O ATOM 1146 CB ASP A 74 -8.322 -7.131 -7.605 1.00 0.00 C ATOM 1147 CG ASP A 74 -8.997 -8.489 -7.820 1.00 0.00 C ATOM 1148 OD1 ASP A 74 -8.820 -9.054 -8.885 1.00 0.00 O ATOM 1149 OD2 ASP A 74 -9.680 -8.939 -6.913 1.00 0.00 O ATOM 0 H ASP A 74 -5.487 -7.710 -7.114 1.00 0.00 H new ATOM 0 HA ASP A 74 -7.256 -7.304 -9.471 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -8.096 -6.989 -6.548 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -8.998 -6.327 -7.897 1.00 0.00 H new ATOM 1154 N VAL A 75 -7.086 -4.702 -8.993 1.00 0.00 N ATOM 1155 CA VAL A 75 -6.576 -3.300 -8.972 1.00 0.00 C ATOM 1156 C VAL A 75 -7.684 -2.367 -8.495 1.00 0.00 C ATOM 1157 O VAL A 75 -8.856 -2.661 -8.628 1.00 0.00 O ATOM 1158 CB VAL A 75 -6.146 -2.887 -10.378 1.00 0.00 C ATOM 1159 CG1 VAL A 75 -5.256 -1.647 -10.303 1.00 0.00 C ATOM 1160 CG2 VAL A 75 -5.373 -4.033 -11.028 1.00 0.00 C ATOM 0 H VAL A 75 -7.941 -4.841 -9.531 1.00 0.00 H new ATOM 0 HA VAL A 75 -5.722 -3.238 -8.297 1.00 0.00 H new ATOM 0 HB VAL A 75 -7.029 -2.658 -10.974 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -4.952 -1.356 -11.308 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -5.809 -0.830 -9.841 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -4.371 -1.870 -9.706 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -5.065 -3.741 -12.032 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -4.491 -4.262 -10.430 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -6.011 -4.915 -11.087 1.00 0.00 H new ATOM 1170 N ILE A 76 -7.323 -1.245 -7.935 1.00 0.00 N ATOM 1171 CA ILE A 76 -8.352 -0.289 -7.444 1.00 0.00 C ATOM 1172 C ILE A 76 -8.114 1.075 -8.092 1.00 0.00 C ATOM 1173 O ILE A 76 -7.268 1.838 -7.669 1.00 0.00 O ATOM 1174 CB ILE A 76 -8.231 -0.149 -5.924 1.00 0.00 C ATOM 1175 CG1 ILE A 76 -8.315 -1.531 -5.271 1.00 0.00 C ATOM 1176 CG2 ILE A 76 -9.370 0.727 -5.401 1.00 0.00 C ATOM 1177 CD1 ILE A 76 -8.042 -1.405 -3.768 1.00 0.00 C ATOM 0 H ILE A 76 -6.357 -0.950 -7.797 1.00 0.00 H new ATOM 0 HA ILE A 76 -9.346 -0.655 -7.700 1.00 0.00 H new ATOM 0 HB ILE A 76 -7.273 0.310 -5.680 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -9.302 -1.964 -5.437 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -7.590 -2.205 -5.728 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -9.285 0.827 -4.319 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -9.312 1.713 -5.862 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -10.326 0.266 -5.648 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -8.102 -2.389 -3.304 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -7.046 -0.990 -3.613 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -8.784 -0.745 -3.318 1.00 0.00 H new ATOM 1189 N SER A 77 -8.851 1.381 -9.124 1.00 0.00 N ATOM 1190 CA SER A 77 -8.672 2.691 -9.809 1.00 0.00 C ATOM 1191 C SER A 77 -9.839 3.617 -9.461 1.00 0.00 C ATOM 1192 O SER A 77 -10.988 3.219 -9.477 1.00 0.00 O ATOM 1193 CB SER A 77 -8.636 2.463 -11.320 1.00 0.00 C ATOM 1194 OG SER A 77 -8.836 1.080 -11.595 1.00 0.00 O ATOM 0 H SER A 77 -9.571 0.779 -9.523 1.00 0.00 H new ATOM 0 HA SER A 77 -7.739 3.151 -9.482 1.00 0.00 H new ATOM 0 HB2 SER A 77 -9.409 3.057 -11.807 1.00 0.00 H new ATOM 0 HB3 SER A 77 -7.679 2.791 -11.726 1.00 0.00 H new ATOM 0 HG SER A 77 -8.815 0.933 -12.564 1.00 0.00 H new ATOM 1200 N LEU A 78 -9.554 4.851 -9.146 1.00 0.00 N ATOM 1201 CA LEU A 78 -10.644 5.805 -8.798 1.00 0.00 C ATOM 1202 C LEU A 78 -10.911 6.729 -9.989 1.00 0.00 C ATOM 1203 O LEU A 78 -10.059 7.492 -10.400 1.00 0.00 O ATOM 1204 CB LEU A 78 -10.223 6.637 -7.580 1.00 0.00 C ATOM 1205 CG LEU A 78 -10.835 6.043 -6.308 1.00 0.00 C ATOM 1206 CD1 LEU A 78 -10.597 4.534 -6.270 1.00 0.00 C ATOM 1207 CD2 LEU A 78 -10.202 6.698 -5.076 1.00 0.00 C ATOM 0 H LEU A 78 -8.612 5.240 -9.115 1.00 0.00 H new ATOM 0 HA LEU A 78 -11.553 5.252 -8.560 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -9.136 6.654 -7.498 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -10.549 7.670 -7.703 1.00 0.00 H new ATOM 0 HG LEU A 78 -11.908 6.234 -6.306 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -11.035 4.119 -5.362 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -11.060 4.071 -7.141 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -9.525 4.334 -6.280 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -10.640 6.273 -4.173 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -9.127 6.516 -5.079 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -10.388 7.772 -5.099 1.00 0.00 H new ATOM 1219 N ARG A 79 -12.089 6.663 -10.547 1.00 0.00 N ATOM 1220 CA ARG A 79 -12.410 7.536 -11.714 1.00 0.00 C ATOM 1221 C ARG A 79 -13.221 8.748 -11.240 1.00 0.00 C ATOM 1222 O ARG A 79 -14.132 8.630 -10.447 1.00 0.00 O ATOM 1223 CB ARG A 79 -13.224 6.740 -12.734 1.00 0.00 C ATOM 1224 CG ARG A 79 -12.393 5.559 -13.241 1.00 0.00 C ATOM 1225 CD ARG A 79 -13.155 4.842 -14.358 1.00 0.00 C ATOM 1226 NE ARG A 79 -12.497 3.537 -14.650 1.00 0.00 N ATOM 1227 CZ ARG A 79 -13.052 2.698 -15.481 1.00 0.00 C ATOM 1228 NH1 ARG A 79 -14.179 3.007 -16.064 1.00 0.00 N ATOM 1229 NH2 ARG A 79 -12.482 1.551 -15.730 1.00 0.00 N ATOM 0 H ARG A 79 -12.842 6.044 -10.247 1.00 0.00 H new ATOM 0 HA ARG A 79 -11.485 7.881 -12.177 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -14.146 6.380 -12.278 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -13.510 7.382 -13.567 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -11.430 5.910 -13.611 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -12.188 4.867 -12.424 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -14.191 4.680 -14.060 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -13.174 5.461 -15.255 1.00 0.00 H new ATOM 0 HE ARG A 79 -11.613 3.300 -14.200 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -14.625 3.904 -15.870 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -14.614 2.352 -16.714 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -11.602 1.309 -15.275 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -12.917 0.896 -16.380 1.00 0.00 H new ATOM 1243 N ALA A 80 -12.910 9.911 -11.739 1.00 0.00 N ATOM 1244 CA ALA A 80 -13.666 11.131 -11.325 1.00 0.00 C ATOM 1245 C ALA A 80 -14.994 11.212 -12.088 1.00 0.00 C ATOM 1246 O ALA A 80 -15.906 11.917 -11.705 1.00 0.00 O ATOM 1247 CB ALA A 80 -12.824 12.367 -11.628 1.00 0.00 C ATOM 0 H ALA A 80 -12.165 10.072 -12.416 1.00 0.00 H new ATOM 0 HA ALA A 80 -13.877 11.080 -10.257 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -13.370 13.262 -11.328 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -11.886 12.312 -11.076 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -12.614 12.411 -12.697 1.00 0.00 H new ATOM 1253 N ASP A 81 -15.094 10.492 -13.165 1.00 0.00 N ATOM 1254 CA ASP A 81 -16.350 10.516 -13.966 1.00 0.00 C ATOM 1255 C ASP A 81 -17.326 9.500 -13.393 1.00 0.00 C ATOM 1256 O ASP A 81 -18.266 9.099 -14.048 1.00 0.00 O ATOM 1257 CB ASP A 81 -16.052 10.161 -15.422 1.00 0.00 C ATOM 1258 CG ASP A 81 -15.173 11.244 -16.045 1.00 0.00 C ATOM 1259 OD1 ASP A 81 -15.051 12.297 -15.443 1.00 0.00 O ATOM 1260 OD2 ASP A 81 -14.638 11.001 -17.114 1.00 0.00 O ATOM 0 H ASP A 81 -14.359 9.885 -13.529 1.00 0.00 H new ATOM 0 HA ASP A 81 -16.782 11.516 -13.924 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -15.549 9.195 -15.476 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -16.983 10.067 -15.982 1.00 0.00 H new ATOM 1265 N ASN A 82 -17.121 9.093 -12.168 1.00 0.00 N ATOM 1266 CA ASN A 82 -18.054 8.111 -11.542 1.00 0.00 C ATOM 1267 C ASN A 82 -18.521 8.614 -10.154 1.00 0.00 C ATOM 1268 O ASN A 82 -17.737 9.145 -9.398 1.00 0.00 O ATOM 1269 CB ASN A 82 -17.333 6.776 -11.376 1.00 0.00 C ATOM 1270 CG ASN A 82 -18.195 5.671 -11.985 1.00 0.00 C ATOM 1271 OD1 ASN A 82 -18.762 5.844 -13.045 1.00 0.00 O ATOM 1272 ND2 ASN A 82 -18.326 4.539 -11.354 1.00 0.00 N ATOM 0 H ASN A 82 -16.349 9.398 -11.575 1.00 0.00 H new ATOM 0 HA ASN A 82 -18.927 7.992 -12.184 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -16.360 6.809 -11.866 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -17.151 6.574 -10.320 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -18.905 3.798 -11.750 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -17.850 4.393 -10.464 1.00 0.00 H new ATOM 1279 N PRO A 83 -19.777 8.420 -9.804 1.00 0.00 N ATOM 1280 CA PRO A 83 -20.319 8.831 -8.466 1.00 0.00 C ATOM 1281 C PRO A 83 -19.919 7.846 -7.351 1.00 0.00 C ATOM 1282 O PRO A 83 -20.227 8.031 -6.188 1.00 0.00 O ATOM 1283 CB PRO A 83 -21.830 8.815 -8.678 1.00 0.00 C ATOM 1284 CG PRO A 83 -22.066 7.808 -9.754 1.00 0.00 C ATOM 1285 CD PRO A 83 -20.819 7.800 -10.641 1.00 0.00 C ATOM 0 HA PRO A 83 -19.932 9.798 -8.145 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -22.353 8.541 -7.762 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -22.196 9.798 -8.972 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -22.241 6.821 -9.326 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -22.951 8.065 -10.336 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -20.544 6.786 -10.933 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -20.980 8.364 -11.560 1.00 0.00 H new ATOM 1293 N GLN A 84 -19.248 6.795 -7.723 1.00 0.00 N ATOM 1294 CA GLN A 84 -18.830 5.774 -6.714 1.00 0.00 C ATOM 1295 C GLN A 84 -17.578 6.253 -5.981 1.00 0.00 C ATOM 1296 O GLN A 84 -16.999 5.535 -5.194 1.00 0.00 O ATOM 1297 CB GLN A 84 -18.543 4.431 -7.390 1.00 0.00 C ATOM 1298 CG GLN A 84 -19.801 3.559 -7.333 1.00 0.00 C ATOM 1299 CD GLN A 84 -20.060 3.113 -5.889 1.00 0.00 C ATOM 1300 OE1 GLN A 84 -19.060 2.998 -5.055 1.00 0.00 O flip ATOM 1301 NE2 GLN A 84 -21.189 2.866 -5.513 1.00 0.00 N flip ATOM 0 H GLN A 84 -18.968 6.594 -8.683 1.00 0.00 H new ATOM 0 HA GLN A 84 -19.644 5.641 -6.001 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -18.242 4.589 -8.426 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -17.715 3.928 -6.890 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -20.658 4.117 -7.710 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -19.680 2.687 -7.976 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -21.973 2.954 -6.160 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -21.353 2.571 -4.551 1.00 0.00 H new ATOM 1310 N LYS A 85 -17.162 7.462 -6.227 1.00 0.00 N ATOM 1311 CA LYS A 85 -15.951 7.983 -5.535 1.00 0.00 C ATOM 1312 C LYS A 85 -16.331 8.494 -4.142 1.00 0.00 C ATOM 1313 O LYS A 85 -15.538 8.461 -3.223 1.00 0.00 O ATOM 1314 CB LYS A 85 -15.349 9.128 -6.360 1.00 0.00 C ATOM 1315 CG LYS A 85 -15.112 8.662 -7.801 1.00 0.00 C ATOM 1316 CD LYS A 85 -14.056 7.559 -7.821 1.00 0.00 C ATOM 1317 CE LYS A 85 -14.725 6.233 -8.193 1.00 0.00 C ATOM 1318 NZ LYS A 85 -13.793 5.106 -7.919 1.00 0.00 N ATOM 0 H LYS A 85 -17.606 8.112 -6.876 1.00 0.00 H new ATOM 0 HA LYS A 85 -15.218 7.183 -5.433 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -16.021 9.986 -6.352 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -14.409 9.454 -5.915 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -16.043 8.294 -8.232 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -14.786 9.501 -8.415 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -13.273 7.800 -8.540 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -13.578 7.478 -6.845 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -15.644 6.105 -7.620 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -15.004 6.239 -9.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -14.306 4.341 -7.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -13.405 4.751 -8.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -13.016 5.438 -7.313 1.00 0.00 H new ATOM 1332 N GLU A 86 -17.536 8.959 -3.974 1.00 0.00 N ATOM 1333 CA GLU A 86 -17.950 9.458 -2.636 1.00 0.00 C ATOM 1334 C GLU A 86 -18.241 8.261 -1.724 1.00 0.00 C ATOM 1335 O GLU A 86 -17.740 8.163 -0.613 1.00 0.00 O ATOM 1336 CB GLU A 86 -19.209 10.312 -2.787 1.00 0.00 C ATOM 1337 CG GLU A 86 -19.557 10.954 -1.445 1.00 0.00 C ATOM 1338 CD GLU A 86 -20.880 11.713 -1.570 1.00 0.00 C ATOM 1339 OE1 GLU A 86 -21.461 11.681 -2.642 1.00 0.00 O ATOM 1340 OE2 GLU A 86 -21.290 12.313 -0.590 1.00 0.00 O ATOM 0 H GLU A 86 -18.249 9.015 -4.702 1.00 0.00 H new ATOM 0 HA GLU A 86 -17.155 10.062 -2.199 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -19.049 11.084 -3.540 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -20.039 9.696 -3.133 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -19.636 10.188 -0.673 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -18.763 11.635 -1.138 1.00 0.00 H new ATOM 1347 N ALA A 87 -19.047 7.341 -2.187 1.00 0.00 N ATOM 1348 CA ALA A 87 -19.380 6.146 -1.364 1.00 0.00 C ATOM 1349 C ALA A 87 -18.118 5.330 -1.150 1.00 0.00 C ATOM 1350 O ALA A 87 -18.001 4.599 -0.187 1.00 0.00 O ATOM 1351 CB ALA A 87 -20.425 5.294 -2.080 1.00 0.00 C ATOM 0 H ALA A 87 -19.490 7.369 -3.105 1.00 0.00 H new ATOM 0 HA ALA A 87 -19.784 6.465 -0.403 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -20.663 4.422 -1.471 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -21.328 5.883 -2.238 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -20.031 4.968 -3.043 1.00 0.00 H new ATOM 1357 N LEU A 88 -17.175 5.434 -2.043 1.00 0.00 N ATOM 1358 CA LEU A 88 -15.933 4.643 -1.876 1.00 0.00 C ATOM 1359 C LEU A 88 -15.223 5.119 -0.610 1.00 0.00 C ATOM 1360 O LEU A 88 -14.478 4.387 -0.022 1.00 0.00 O ATOM 1361 CB LEU A 88 -14.991 4.792 -3.096 1.00 0.00 C ATOM 1362 CG LEU A 88 -13.530 4.970 -2.658 1.00 0.00 C ATOM 1363 CD1 LEU A 88 -12.623 4.685 -3.846 1.00 0.00 C ATOM 1364 CD2 LEU A 88 -13.283 6.405 -2.179 1.00 0.00 C ATOM 0 H LEU A 88 -17.212 6.027 -2.872 1.00 0.00 H new ATOM 0 HA LEU A 88 -16.196 3.588 -1.796 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -15.077 3.912 -3.733 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -15.300 5.649 -3.694 1.00 0.00 H new ATOM 0 HG LEU A 88 -13.319 4.282 -1.839 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -11.582 4.808 -3.547 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -12.783 3.663 -4.189 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -12.853 5.379 -4.654 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -12.242 6.512 -1.873 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -13.496 7.101 -2.990 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -13.935 6.623 -1.333 1.00 0.00 H new ATOM 1376 N ARG A 89 -15.412 6.337 -0.197 1.00 0.00 N ATOM 1377 CA ARG A 89 -14.667 6.776 1.015 1.00 0.00 C ATOM 1378 C ARG A 89 -14.996 5.847 2.194 1.00 0.00 C ATOM 1379 O ARG A 89 -14.150 5.175 2.707 1.00 0.00 O ATOM 1380 CB ARG A 89 -15.146 8.184 1.356 1.00 0.00 C ATOM 1381 CG ARG A 89 -14.135 8.904 2.241 1.00 0.00 C ATOM 1382 CD ARG A 89 -14.833 9.374 3.512 1.00 0.00 C ATOM 1383 NE ARG A 89 -13.900 10.238 4.288 1.00 0.00 N ATOM 1384 CZ ARG A 89 -13.773 11.500 3.981 1.00 0.00 C ATOM 1385 NH1 ARG A 89 -14.463 12.003 2.996 1.00 0.00 N ATOM 1386 NH2 ARG A 89 -12.951 12.257 4.657 1.00 0.00 N ATOM 0 H ARG A 89 -16.027 7.028 -0.626 1.00 0.00 H new ATOM 0 HA ARG A 89 -13.593 6.752 0.830 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -15.301 8.752 0.439 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -16.108 8.132 1.865 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -13.310 8.237 2.490 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -13.708 9.755 1.710 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -15.738 9.927 3.262 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -15.139 8.517 4.112 1.00 0.00 H new ATOM 0 HE ARG A 89 -13.361 9.843 5.059 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -15.102 11.410 2.466 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -14.364 12.989 2.756 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -12.408 11.862 5.425 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -12.852 13.243 4.417 1.00 0.00 H new ATOM 1400 N GLU A 90 -16.221 5.806 2.606 1.00 0.00 N ATOM 1401 CA GLU A 90 -16.598 4.918 3.761 1.00 0.00 C ATOM 1402 C GLU A 90 -16.319 3.463 3.373 1.00 0.00 C ATOM 1403 O GLU A 90 -16.108 2.597 4.198 1.00 0.00 O ATOM 1404 CB GLU A 90 -18.067 5.105 4.123 1.00 0.00 C ATOM 1405 CG GLU A 90 -18.275 6.517 4.674 1.00 0.00 C ATOM 1406 CD GLU A 90 -19.729 6.677 5.110 1.00 0.00 C ATOM 1407 OE1 GLU A 90 -20.516 5.798 4.809 1.00 0.00 O ATOM 1408 OE2 GLU A 90 -20.032 7.677 5.744 1.00 0.00 O ATOM 0 H GLU A 90 -16.989 6.343 2.203 1.00 0.00 H new ATOM 0 HA GLU A 90 -16.005 5.183 4.636 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -18.693 4.949 3.244 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -18.368 4.365 4.864 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -17.608 6.693 5.518 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -18.028 7.257 3.913 1.00 0.00 H new ATOM 1415 N LYS A 91 -16.335 3.243 2.106 1.00 0.00 N ATOM 1416 CA LYS A 91 -16.091 1.875 1.571 1.00 0.00 C ATOM 1417 C LYS A 91 -14.643 1.420 1.851 1.00 0.00 C ATOM 1418 O LYS A 91 -14.411 0.294 2.228 1.00 0.00 O ATOM 1419 CB LYS A 91 -16.322 1.836 0.066 1.00 0.00 C ATOM 1420 CG LYS A 91 -16.652 0.404 -0.372 1.00 0.00 C ATOM 1421 CD LYS A 91 -18.155 0.159 -0.211 1.00 0.00 C ATOM 1422 CE LYS A 91 -18.504 -1.251 -0.694 1.00 0.00 C ATOM 1423 NZ LYS A 91 -18.454 -1.294 -2.182 1.00 0.00 N ATOM 0 H LYS A 91 -16.508 3.957 1.398 1.00 0.00 H new ATOM 0 HA LYS A 91 -16.789 1.204 2.072 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -17.139 2.506 -0.203 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -15.434 2.190 -0.457 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -16.356 0.252 -1.410 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -16.089 -0.311 0.228 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -18.442 0.277 0.834 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -18.717 0.898 -0.782 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -17.804 -1.974 -0.275 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -19.498 -1.531 -0.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -18.898 -2.172 -2.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -18.966 -0.476 -2.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -17.463 -1.264 -2.497 1.00 0.00 H new ATOM 1437 N PHE A 92 -13.661 2.275 1.686 1.00 0.00 N ATOM 1438 CA PHE A 92 -12.245 1.870 1.938 1.00 0.00 C ATOM 1439 C PHE A 92 -11.732 2.451 3.250 1.00 0.00 C ATOM 1440 O PHE A 92 -10.675 2.104 3.738 1.00 0.00 O ATOM 1441 CB PHE A 92 -11.400 2.401 0.792 1.00 0.00 C ATOM 1442 CG PHE A 92 -11.152 1.292 -0.184 1.00 0.00 C ATOM 1443 CD1 PHE A 92 -10.446 0.162 0.235 1.00 0.00 C ATOM 1444 CD2 PHE A 92 -11.610 1.393 -1.508 1.00 0.00 C ATOM 1445 CE1 PHE A 92 -10.192 -0.878 -0.656 1.00 0.00 C ATOM 1446 CE2 PHE A 92 -11.359 0.356 -2.409 1.00 0.00 C ATOM 1447 CZ PHE A 92 -10.649 -0.785 -1.985 1.00 0.00 C ATOM 0 H PHE A 92 -13.783 3.242 1.385 1.00 0.00 H new ATOM 0 HA PHE A 92 -12.185 0.784 2.005 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -11.910 3.229 0.300 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -10.454 2.789 1.170 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -10.096 0.094 1.254 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -12.154 2.269 -1.828 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -9.647 -1.751 -0.329 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -11.708 0.428 -3.428 1.00 0.00 H new ATOM 0 HZ PHE A 92 -10.455 -1.589 -2.680 1.00 0.00 H new ATOM 1457 N LEU A 93 -12.460 3.364 3.796 1.00 0.00 N ATOM 1458 CA LEU A 93 -12.008 4.024 5.051 1.00 0.00 C ATOM 1459 C LEU A 93 -12.462 3.228 6.259 1.00 0.00 C ATOM 1460 O LEU A 93 -12.336 3.679 7.377 1.00 0.00 O ATOM 1461 CB LEU A 93 -12.535 5.476 5.148 1.00 0.00 C ATOM 1462 CG LEU A 93 -11.858 6.427 4.122 1.00 0.00 C ATOM 1463 CD1 LEU A 93 -11.972 7.869 4.610 1.00 0.00 C ATOM 1464 CD2 LEU A 93 -10.373 6.118 3.947 1.00 0.00 C ATOM 0 H LEU A 93 -13.355 3.690 3.432 1.00 0.00 H new ATOM 0 HA LEU A 93 -10.919 4.059 5.032 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -13.613 5.479 4.985 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -12.364 5.854 6.156 1.00 0.00 H new ATOM 0 HG LEU A 93 -12.367 6.283 3.169 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -11.497 8.535 3.890 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -13.024 8.136 4.713 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -11.477 7.966 5.576 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -9.941 6.807 3.221 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -9.863 6.232 4.903 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -10.254 5.095 3.591 1.00 0.00 H new ATOM 1476 N ASN A 94 -12.955 2.042 6.094 1.00 0.00 N ATOM 1477 CA ASN A 94 -13.341 1.269 7.291 1.00 0.00 C ATOM 1478 C ASN A 94 -12.253 0.229 7.543 1.00 0.00 C ATOM 1479 O ASN A 94 -11.370 0.033 6.729 1.00 0.00 O ATOM 1480 CB ASN A 94 -14.658 0.585 7.001 1.00 0.00 C ATOM 1481 CG ASN A 94 -15.804 1.431 7.550 1.00 0.00 C ATOM 1482 OD1 ASN A 94 -15.659 2.099 8.556 1.00 0.00 O ATOM 1483 ND2 ASN A 94 -16.945 1.440 6.923 1.00 0.00 N ATOM 0 H ASN A 94 -13.105 1.581 5.197 1.00 0.00 H new ATOM 0 HA ASN A 94 -13.449 1.908 8.168 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -14.778 0.445 5.927 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -14.673 -0.406 7.456 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -17.716 2.007 7.276 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -17.068 0.880 6.079 1.00 0.00 H new ATOM 1490 N GLU A 95 -12.310 -0.443 8.649 1.00 0.00 N ATOM 1491 CA GLU A 95 -11.284 -1.477 8.941 1.00 0.00 C ATOM 1492 C GLU A 95 -11.617 -2.760 8.168 1.00 0.00 C ATOM 1493 O GLU A 95 -12.710 -3.289 8.251 1.00 0.00 O ATOM 1494 CB GLU A 95 -11.297 -1.783 10.441 1.00 0.00 C ATOM 1495 CG GLU A 95 -10.133 -2.712 10.800 1.00 0.00 C ATOM 1496 CD GLU A 95 -10.215 -3.087 12.284 1.00 0.00 C ATOM 1497 OE1 GLU A 95 -11.126 -2.616 12.947 1.00 0.00 O ATOM 1498 OE2 GLU A 95 -9.363 -3.837 12.733 1.00 0.00 O ATOM 0 H GLU A 95 -13.024 -0.323 9.368 1.00 0.00 H new ATOM 0 HA GLU A 95 -10.302 -1.112 8.641 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -11.221 -0.856 11.010 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -12.243 -2.249 10.717 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -10.169 -3.611 10.185 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -9.183 -2.220 10.591 1.00 0.00 H new ATOM 1505 N HIS A 96 -10.664 -3.266 7.438 1.00 0.00 N ATOM 1506 CA HIS A 96 -10.863 -4.525 6.664 1.00 0.00 C ATOM 1507 C HIS A 96 -9.599 -5.378 6.835 1.00 0.00 C ATOM 1508 O HIS A 96 -8.490 -4.898 6.686 1.00 0.00 O ATOM 1509 CB HIS A 96 -11.120 -4.177 5.193 1.00 0.00 C ATOM 1510 CG HIS A 96 -10.089 -4.807 4.316 1.00 0.00 C ATOM 1511 ND1 HIS A 96 -10.393 -5.842 3.439 1.00 0.00 N ATOM 1512 CD2 HIS A 96 -8.744 -4.582 4.187 1.00 0.00 C ATOM 1513 CE1 HIS A 96 -9.247 -6.211 2.841 1.00 0.00 C ATOM 1514 NE2 HIS A 96 -8.226 -5.474 3.263 1.00 0.00 N ATOM 0 H HIS A 96 -9.736 -2.853 7.343 1.00 0.00 H new ATOM 0 HA HIS A 96 -11.725 -5.088 7.023 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -12.113 -4.520 4.901 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -11.105 -3.095 5.062 1.00 0.00 H new ATOM 0 HD1 HIS A 96 -11.315 -6.247 3.279 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -8.179 -3.831 4.719 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -9.167 -7.004 2.112 1.00 0.00 H new ATOM 1522 N THR A 97 -9.752 -6.621 7.216 1.00 0.00 N ATOM 1523 CA THR A 97 -8.554 -7.492 7.464 1.00 0.00 C ATOM 1524 C THR A 97 -8.726 -8.896 6.869 1.00 0.00 C ATOM 1525 O THR A 97 -9.826 -9.380 6.668 1.00 0.00 O ATOM 1526 CB THR A 97 -8.320 -7.622 8.969 1.00 0.00 C ATOM 1527 OG1 THR A 97 -8.055 -6.332 9.502 1.00 0.00 O ATOM 1528 CG2 THR A 97 -7.120 -8.553 9.241 1.00 0.00 C ATOM 0 H THR A 97 -10.653 -7.074 7.367 1.00 0.00 H new ATOM 0 HA THR A 97 -7.701 -7.019 6.977 1.00 0.00 H new ATOM 0 HB THR A 97 -9.205 -8.047 9.442 1.00 0.00 H new ATOM 0 HG1 THR A 97 -7.905 -6.402 10.468 1.00 0.00 H new ATOM 0 HG21 THR A 97 -6.962 -8.638 10.316 1.00 0.00 H new ATOM 0 HG22 THR A 97 -7.323 -9.540 8.824 1.00 0.00 H new ATOM 0 HG23 THR A 97 -6.226 -8.140 8.775 1.00 0.00 H new ATOM 1536 N HIS A 98 -7.626 -9.554 6.625 1.00 0.00 N ATOM 1537 CA HIS A 98 -7.679 -10.945 6.086 1.00 0.00 C ATOM 1538 C HIS A 98 -6.798 -11.872 6.929 1.00 0.00 C ATOM 1539 O HIS A 98 -5.913 -11.440 7.642 1.00 0.00 O ATOM 1540 CB HIS A 98 -7.180 -10.959 4.654 1.00 0.00 C ATOM 1541 CG HIS A 98 -6.545 -9.647 4.339 1.00 0.00 C ATOM 1542 ND1 HIS A 98 -5.262 -9.319 4.756 1.00 0.00 N ATOM 1543 CD2 HIS A 98 -7.003 -8.569 3.640 1.00 0.00 C ATOM 1544 CE1 HIS A 98 -4.996 -8.078 4.304 1.00 0.00 C ATOM 1545 NE2 HIS A 98 -6.027 -7.589 3.623 1.00 0.00 N ATOM 0 H HIS A 98 -6.687 -9.187 6.776 1.00 0.00 H new ATOM 0 HA HIS A 98 -8.711 -11.294 6.122 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -6.461 -11.766 4.516 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -8.008 -11.149 3.970 1.00 0.00 H new ATOM 0 HD1 HIS A 98 -4.636 -9.909 5.304 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -7.974 -8.493 3.174 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -4.069 -7.551 4.473 1.00 0.00 H new ATOM 1553 N GLY A 99 -7.038 -13.150 6.851 1.00 0.00 N ATOM 1554 CA GLY A 99 -6.223 -14.108 7.643 1.00 0.00 C ATOM 1555 C GLY A 99 -4.900 -14.354 6.930 1.00 0.00 C ATOM 1556 O GLY A 99 -4.241 -15.348 7.156 1.00 0.00 O ATOM 0 H GLY A 99 -7.764 -13.572 6.272 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -6.042 -13.710 8.642 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -6.763 -15.047 7.766 1.00 0.00 H new ATOM 1560 N GLU A 100 -4.475 -13.444 6.095 1.00 0.00 N ATOM 1561 CA GLU A 100 -3.167 -13.616 5.409 1.00 0.00 C ATOM 1562 C GLU A 100 -2.572 -12.221 5.165 1.00 0.00 C ATOM 1563 O GLU A 100 -3.291 -11.238 5.149 1.00 0.00 O ATOM 1564 CB GLU A 100 -3.402 -14.339 4.081 1.00 0.00 C ATOM 1565 CG GLU A 100 -4.645 -13.762 3.389 1.00 0.00 C ATOM 1566 CD GLU A 100 -5.918 -14.357 4.006 1.00 0.00 C ATOM 1567 OE1 GLU A 100 -5.806 -15.328 4.736 1.00 0.00 O ATOM 1568 OE2 GLU A 100 -6.984 -13.828 3.735 1.00 0.00 O ATOM 0 H GLU A 100 -4.979 -12.589 5.860 1.00 0.00 H new ATOM 0 HA GLU A 100 -2.477 -14.205 6.013 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -2.530 -14.227 3.436 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -3.534 -15.407 4.256 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -4.656 -12.677 3.490 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -4.612 -13.982 2.322 1.00 0.00 H new ATOM 1575 N ASP A 101 -1.282 -12.082 4.980 1.00 0.00 N ATOM 1576 CA ASP A 101 -0.715 -10.723 4.766 1.00 0.00 C ATOM 1577 C ASP A 101 -1.229 -10.160 3.445 1.00 0.00 C ATOM 1578 O ASP A 101 -2.160 -10.679 2.863 1.00 0.00 O ATOM 1579 CB ASP A 101 0.807 -10.861 4.698 1.00 0.00 C ATOM 1580 CG ASP A 101 1.200 -11.680 3.461 1.00 0.00 C ATOM 1581 OD1 ASP A 101 0.314 -12.023 2.692 1.00 0.00 O ATOM 1582 OD2 ASP A 101 2.375 -11.964 3.309 1.00 0.00 O ATOM 0 H ASP A 101 -0.606 -12.846 4.969 1.00 0.00 H new ATOM 0 HA ASP A 101 -1.007 -10.054 5.575 1.00 0.00 H new ATOM 0 HB2 ASP A 101 1.269 -9.875 4.654 1.00 0.00 H new ATOM 0 HB3 ASP A 101 1.178 -11.347 5.600 1.00 0.00 H new ATOM 1587 N GLU A 102 -0.637 -9.105 2.963 1.00 0.00 N ATOM 1588 CA GLU A 102 -1.106 -8.531 1.674 1.00 0.00 C ATOM 1589 C GLU A 102 0.024 -7.753 1.007 1.00 0.00 C ATOM 1590 O GLU A 102 0.893 -7.222 1.670 1.00 0.00 O ATOM 1591 CB GLU A 102 -2.279 -7.597 1.951 1.00 0.00 C ATOM 1592 CG GLU A 102 -2.904 -7.141 0.631 1.00 0.00 C ATOM 1593 CD GLU A 102 -3.991 -6.102 0.913 1.00 0.00 C ATOM 1594 OE1 GLU A 102 -4.241 -5.830 2.075 1.00 0.00 O ATOM 1595 OE2 GLU A 102 -4.557 -5.594 -0.039 1.00 0.00 O ATOM 0 H GLU A 102 0.145 -8.619 3.402 1.00 0.00 H new ATOM 0 HA GLU A 102 -1.419 -9.334 1.007 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -3.025 -8.107 2.560 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -1.940 -6.732 2.521 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -2.139 -6.715 -0.018 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -3.330 -7.995 0.104 1.00 0.00 H new ATOM 1602 N VAL A 103 0.008 -7.650 -0.291 1.00 0.00 N ATOM 1603 CA VAL A 103 1.068 -6.871 -0.980 1.00 0.00 C ATOM 1604 C VAL A 103 0.412 -5.880 -1.933 1.00 0.00 C ATOM 1605 O VAL A 103 -0.469 -6.231 -2.693 1.00 0.00 O ATOM 1606 CB VAL A 103 1.975 -7.814 -1.765 1.00 0.00 C ATOM 1607 CG1 VAL A 103 3.225 -7.054 -2.193 1.00 0.00 C ATOM 1608 CG2 VAL A 103 2.369 -8.997 -0.880 1.00 0.00 C ATOM 0 H VAL A 103 -0.692 -8.071 -0.902 1.00 0.00 H new ATOM 0 HA VAL A 103 1.667 -6.335 -0.244 1.00 0.00 H new ATOM 0 HB VAL A 103 1.451 -8.186 -2.646 1.00 0.00 H new ATOM 0 HG11 VAL A 103 3.881 -7.719 -2.755 1.00 0.00 H new ATOM 0 HG12 VAL A 103 2.940 -6.209 -2.821 1.00 0.00 H new ATOM 0 HG13 VAL A 103 3.749 -6.689 -1.310 1.00 0.00 H new ATOM 0 HG21 VAL A 103 3.017 -9.671 -1.441 1.00 0.00 H new ATOM 0 HG22 VAL A 103 2.899 -8.632 -0.000 1.00 0.00 H new ATOM 0 HG23 VAL A 103 1.472 -9.532 -0.568 1.00 0.00 H new ATOM 1618 N ARG A 104 0.838 -4.646 -1.906 1.00 0.00 N ATOM 1619 CA ARG A 104 0.234 -3.647 -2.826 1.00 0.00 C ATOM 1620 C ARG A 104 1.338 -2.918 -3.588 1.00 0.00 C ATOM 1621 O ARG A 104 2.283 -2.438 -3.000 1.00 0.00 O ATOM 1622 CB ARG A 104 -0.599 -2.641 -2.042 1.00 0.00 C ATOM 1623 CG ARG A 104 -1.614 -3.394 -1.185 1.00 0.00 C ATOM 1624 CD ARG A 104 -2.337 -2.409 -0.269 1.00 0.00 C ATOM 1625 NE ARG A 104 -1.428 -2.017 0.845 1.00 0.00 N ATOM 1626 CZ ARG A 104 -1.114 -2.891 1.763 1.00 0.00 C ATOM 1627 NH1 ARG A 104 -1.615 -4.093 1.714 1.00 0.00 N ATOM 1628 NH2 ARG A 104 -0.305 -2.563 2.731 1.00 0.00 N ATOM 0 H ARG A 104 1.571 -4.291 -1.292 1.00 0.00 H new ATOM 0 HA ARG A 104 -0.415 -4.165 -3.532 1.00 0.00 H new ATOM 0 HB2 ARG A 104 0.046 -2.029 -1.411 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -1.112 -1.964 -2.725 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -2.333 -3.909 -1.822 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -1.110 -4.157 -0.591 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -2.642 -1.527 -0.832 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -3.244 -2.863 0.129 1.00 0.00 H new ATOM 0 HE ARG A 104 -1.053 -1.070 0.890 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -2.251 -4.350 0.959 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -1.371 -4.777 2.430 1.00 0.00 H new ATOM 0 HH21 ARG A 104 0.085 -1.621 2.773 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -0.062 -3.248 3.447 1.00 0.00 H new ATOM 1642 N PHE A 105 1.228 -2.823 -4.891 1.00 0.00 N ATOM 1643 CA PHE A 105 2.290 -2.113 -5.667 1.00 0.00 C ATOM 1644 C PHE A 105 1.670 -0.944 -6.424 1.00 0.00 C ATOM 1645 O PHE A 105 0.762 -1.124 -7.208 1.00 0.00 O ATOM 1646 CB PHE A 105 2.924 -3.077 -6.677 1.00 0.00 C ATOM 1647 CG PHE A 105 3.868 -2.331 -7.597 1.00 0.00 C ATOM 1648 CD1 PHE A 105 4.648 -1.251 -7.137 1.00 0.00 C ATOM 1649 CD2 PHE A 105 3.949 -2.721 -8.935 1.00 0.00 C ATOM 1650 CE1 PHE A 105 5.494 -0.575 -8.023 1.00 0.00 C ATOM 1651 CE2 PHE A 105 4.797 -2.047 -9.814 1.00 0.00 C ATOM 1652 CZ PHE A 105 5.568 -0.973 -9.360 1.00 0.00 C ATOM 0 H PHE A 105 0.459 -3.201 -5.444 1.00 0.00 H new ATOM 0 HA PHE A 105 3.052 -1.748 -4.978 1.00 0.00 H new ATOM 0 HB2 PHE A 105 3.465 -3.863 -6.150 1.00 0.00 H new ATOM 0 HB3 PHE A 105 2.145 -3.565 -7.263 1.00 0.00 H new ATOM 0 HD1 PHE A 105 4.593 -0.946 -6.103 1.00 0.00 H new ATOM 0 HD2 PHE A 105 3.353 -3.548 -9.291 1.00 0.00 H new ATOM 0 HE1 PHE A 105 6.090 0.255 -7.673 1.00 0.00 H new ATOM 0 HE2 PHE A 105 4.858 -2.356 -10.847 1.00 0.00 H new ATOM 0 HZ PHE A 105 6.221 -0.451 -10.043 1.00 0.00 H new ATOM 1662 N PHE A 106 2.111 0.261 -6.195 1.00 0.00 N ATOM 1663 CA PHE A 106 1.462 1.390 -6.916 1.00 0.00 C ATOM 1664 C PHE A 106 2.243 1.714 -8.198 1.00 0.00 C ATOM 1665 O PHE A 106 3.413 1.979 -8.151 1.00 0.00 O ATOM 1666 CB PHE A 106 1.478 2.617 -5.996 1.00 0.00 C ATOM 1667 CG PHE A 106 0.735 2.298 -4.727 1.00 0.00 C ATOM 1668 CD1 PHE A 106 -0.646 2.515 -4.628 1.00 0.00 C ATOM 1669 CD2 PHE A 106 1.442 1.769 -3.645 1.00 0.00 C ATOM 1670 CE1 PHE A 106 -1.315 2.198 -3.440 1.00 0.00 C ATOM 1671 CE2 PHE A 106 0.775 1.454 -2.459 1.00 0.00 C ATOM 1672 CZ PHE A 106 -0.605 1.665 -2.356 1.00 0.00 C ATOM 0 H PHE A 106 2.869 0.509 -5.560 1.00 0.00 H new ATOM 0 HA PHE A 106 0.440 1.120 -7.183 1.00 0.00 H new ATOM 0 HB2 PHE A 106 2.505 2.901 -5.768 1.00 0.00 H new ATOM 0 HB3 PHE A 106 1.016 3.468 -6.497 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -1.192 2.925 -5.465 1.00 0.00 H new ATOM 0 HD2 PHE A 106 2.506 1.603 -3.725 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -2.379 2.364 -3.359 1.00 0.00 H new ATOM 0 HE2 PHE A 106 1.324 1.048 -1.622 1.00 0.00 H new ATOM 0 HZ PHE A 106 -1.122 1.417 -1.441 1.00 0.00 H new ATOM 1682 N VAL A 107 1.645 1.643 -9.359 1.00 0.00 N ATOM 1683 CA VAL A 107 2.427 1.952 -10.590 1.00 0.00 C ATOM 1684 C VAL A 107 1.998 3.320 -11.099 1.00 0.00 C ATOM 1685 O VAL A 107 2.715 3.972 -11.833 1.00 0.00 O ATOM 1686 CB VAL A 107 2.139 0.904 -11.661 1.00 0.00 C ATOM 1687 CG1 VAL A 107 2.676 -0.453 -11.215 1.00 0.00 C ATOM 1688 CG2 VAL A 107 0.630 0.810 -11.876 1.00 0.00 C ATOM 0 H VAL A 107 0.668 1.389 -9.506 1.00 0.00 H new ATOM 0 HA VAL A 107 3.493 1.947 -10.364 1.00 0.00 H new ATOM 0 HB VAL A 107 2.627 1.192 -12.592 1.00 0.00 H new ATOM 0 HG11 VAL A 107 2.467 -1.197 -11.984 1.00 0.00 H new ATOM 0 HG12 VAL A 107 3.753 -0.385 -11.059 1.00 0.00 H new ATOM 0 HG13 VAL A 107 2.192 -0.748 -10.284 1.00 0.00 H new ATOM 0 HG21 VAL A 107 0.417 0.063 -12.640 1.00 0.00 H new ATOM 0 HG22 VAL A 107 0.147 0.522 -10.942 1.00 0.00 H new ATOM 0 HG23 VAL A 107 0.247 1.778 -12.199 1.00 0.00 H new ATOM 1698 N GLU A 108 0.834 3.768 -10.713 1.00 0.00 N ATOM 1699 CA GLU A 108 0.375 5.100 -11.177 1.00 0.00 C ATOM 1700 C GLU A 108 -0.419 5.787 -10.060 1.00 0.00 C ATOM 1701 O GLU A 108 -1.459 5.318 -9.643 1.00 0.00 O ATOM 1702 CB GLU A 108 -0.506 4.932 -12.417 1.00 0.00 C ATOM 1703 CG GLU A 108 0.299 4.273 -13.543 1.00 0.00 C ATOM 1704 CD GLU A 108 1.466 5.180 -13.930 1.00 0.00 C ATOM 1705 OE1 GLU A 108 1.398 6.360 -13.625 1.00 0.00 O ATOM 1706 OE2 GLU A 108 2.406 4.681 -14.526 1.00 0.00 O ATOM 0 H GLU A 108 0.188 3.270 -10.101 1.00 0.00 H new ATOM 0 HA GLU A 108 1.238 5.716 -11.431 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -1.377 4.322 -12.175 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -0.878 5.903 -12.744 1.00 0.00 H new ATOM 0 HG2 GLU A 108 0.671 3.301 -13.218 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -0.341 4.096 -14.407 1.00 0.00 H new ATOM 1713 N GLY A 109 0.068 6.898 -9.580 1.00 0.00 N ATOM 1714 CA GLY A 109 -0.651 7.621 -8.500 1.00 0.00 C ATOM 1715 C GLY A 109 -0.048 7.265 -7.137 1.00 0.00 C ATOM 1716 O GLY A 109 0.780 6.381 -7.018 1.00 0.00 O ATOM 0 H GLY A 109 0.935 7.335 -9.892 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -0.586 8.696 -8.666 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -1.709 7.359 -8.518 1.00 0.00 H new ATOM 1720 N ALA A 110 -0.468 7.958 -6.116 1.00 0.00 N ATOM 1721 CA ALA A 110 0.061 7.690 -4.745 1.00 0.00 C ATOM 1722 C ALA A 110 -1.099 7.550 -3.759 1.00 0.00 C ATOM 1723 O ALA A 110 -2.139 8.162 -3.906 1.00 0.00 O ATOM 1724 CB ALA A 110 0.960 8.849 -4.299 1.00 0.00 C ATOM 0 H ALA A 110 -1.160 8.705 -6.171 1.00 0.00 H new ATOM 0 HA ALA A 110 0.638 6.765 -4.765 1.00 0.00 H new ATOM 0 HB1 ALA A 110 1.343 8.648 -3.298 1.00 0.00 H new ATOM 0 HB2 ALA A 110 1.794 8.950 -4.993 1.00 0.00 H new ATOM 0 HB3 ALA A 110 0.383 9.774 -4.288 1.00 0.00 H new ATOM 1730 N GLY A 111 -0.919 6.749 -2.746 1.00 0.00 N ATOM 1731 CA GLY A 111 -1.996 6.562 -1.736 1.00 0.00 C ATOM 1732 C GLY A 111 -1.372 6.466 -0.346 1.00 0.00 C ATOM 1733 O GLY A 111 -0.302 5.918 -0.172 1.00 0.00 O ATOM 0 H GLY A 111 -0.068 6.214 -2.574 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -2.697 7.396 -1.776 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -2.564 5.658 -1.956 1.00 0.00 H new ATOM 1737 N LEU A 112 -2.025 6.994 0.650 1.00 0.00 N ATOM 1738 CA LEU A 112 -1.444 6.924 2.017 1.00 0.00 C ATOM 1739 C LEU A 112 -1.869 5.612 2.669 1.00 0.00 C ATOM 1740 O LEU A 112 -3.039 5.377 2.903 1.00 0.00 O ATOM 1741 CB LEU A 112 -1.968 8.098 2.860 1.00 0.00 C ATOM 1742 CG LEU A 112 -0.827 8.811 3.620 1.00 0.00 C ATOM 1743 CD1 LEU A 112 -0.557 10.172 2.963 1.00 0.00 C ATOM 1744 CD2 LEU A 112 -1.230 9.019 5.094 1.00 0.00 C ATOM 0 H LEU A 112 -2.926 7.466 0.578 1.00 0.00 H new ATOM 0 HA LEU A 112 -0.357 6.977 1.956 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -2.476 8.813 2.212 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -2.707 7.733 3.573 1.00 0.00 H new ATOM 0 HG LEU A 112 0.074 8.199 3.581 1.00 0.00 H new ATOM 0 HD11 LEU A 112 0.247 10.680 3.495 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -0.266 10.023 1.923 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -1.460 10.781 3.004 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -0.422 9.522 5.625 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -2.131 9.630 5.142 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -1.422 8.052 5.559 1.00 0.00 H new ATOM 1756 N PHE A 113 -0.931 4.756 2.954 1.00 0.00 N ATOM 1757 CA PHE A 113 -1.280 3.459 3.585 1.00 0.00 C ATOM 1758 C PHE A 113 -0.774 3.456 5.028 1.00 0.00 C ATOM 1759 O PHE A 113 0.409 3.573 5.283 1.00 0.00 O ATOM 1760 CB PHE A 113 -0.619 2.331 2.799 1.00 0.00 C ATOM 1761 CG PHE A 113 -1.217 1.012 3.208 1.00 0.00 C ATOM 1762 CD1 PHE A 113 -2.362 0.522 2.559 1.00 0.00 C ATOM 1763 CD2 PHE A 113 -0.619 0.272 4.231 1.00 0.00 C ATOM 1764 CE1 PHE A 113 -2.898 -0.714 2.939 1.00 0.00 C ATOM 1765 CE2 PHE A 113 -1.161 -0.957 4.610 1.00 0.00 C ATOM 1766 CZ PHE A 113 -2.296 -1.450 3.965 1.00 0.00 C ATOM 0 H PHE A 113 0.063 4.900 2.776 1.00 0.00 H new ATOM 0 HA PHE A 113 -2.361 3.316 3.582 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -0.759 2.489 1.730 1.00 0.00 H new ATOM 0 HB3 PHE A 113 0.455 2.327 2.983 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -2.827 1.096 1.771 1.00 0.00 H new ATOM 0 HD2 PHE A 113 0.262 0.651 4.728 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -3.775 -1.099 2.441 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -0.701 -1.527 5.404 1.00 0.00 H new ATOM 0 HZ PHE A 113 -2.711 -2.403 4.259 1.00 0.00 H new ATOM 1776 N CYS A 114 -1.668 3.322 5.971 1.00 0.00 N ATOM 1777 CA CYS A 114 -1.258 3.311 7.405 1.00 0.00 C ATOM 1778 C CYS A 114 -1.652 1.976 8.039 1.00 0.00 C ATOM 1779 O CYS A 114 -2.717 1.447 7.783 1.00 0.00 O ATOM 1780 CB CYS A 114 -1.962 4.450 8.141 1.00 0.00 C ATOM 1781 SG CYS A 114 -2.670 5.598 6.935 1.00 0.00 S ATOM 0 H CYS A 114 -2.670 3.219 5.809 1.00 0.00 H new ATOM 0 HA CYS A 114 -0.178 3.441 7.476 1.00 0.00 H new ATOM 0 HB2 CYS A 114 -2.746 4.052 8.785 1.00 0.00 H new ATOM 0 HB3 CYS A 114 -1.255 4.973 8.786 1.00 0.00 H new ATOM 0 HG CYS A 114 -3.927 5.320 6.757 1.00 0.00 H new ATOM 1787 N LEU A 115 -0.803 1.431 8.868 1.00 0.00 N ATOM 1788 CA LEU A 115 -1.120 0.133 9.530 1.00 0.00 C ATOM 1789 C LEU A 115 -1.054 0.312 11.047 1.00 0.00 C ATOM 1790 O LEU A 115 -0.221 1.031 11.561 1.00 0.00 O ATOM 1791 CB LEU A 115 -0.102 -0.927 9.101 1.00 0.00 C ATOM 1792 CG LEU A 115 1.175 -0.243 8.608 1.00 0.00 C ATOM 1793 CD1 LEU A 115 2.303 -1.272 8.526 1.00 0.00 C ATOM 1794 CD2 LEU A 115 0.935 0.361 7.221 1.00 0.00 C ATOM 0 H LEU A 115 0.102 1.832 9.116 1.00 0.00 H new ATOM 0 HA LEU A 115 -2.120 -0.188 9.239 1.00 0.00 H new ATOM 0 HB2 LEU A 115 0.127 -1.586 9.939 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -0.521 -1.550 8.311 1.00 0.00 H new ATOM 0 HG LEU A 115 1.452 0.549 9.304 1.00 0.00 H new ATOM 0 HD11 LEU A 115 3.214 -0.787 8.175 1.00 0.00 H new ATOM 0 HD12 LEU A 115 2.477 -1.700 9.513 1.00 0.00 H new ATOM 0 HD13 LEU A 115 2.023 -2.064 7.831 1.00 0.00 H new ATOM 0 HD21 LEU A 115 1.846 0.847 6.873 1.00 0.00 H new ATOM 0 HD22 LEU A 115 0.656 -0.429 6.523 1.00 0.00 H new ATOM 0 HD23 LEU A 115 0.131 1.095 7.278 1.00 0.00 H new ATOM 1806 N HIS A 116 -1.924 -0.336 11.769 1.00 0.00 N ATOM 1807 CA HIS A 116 -1.906 -0.197 13.252 1.00 0.00 C ATOM 1808 C HIS A 116 -1.163 -1.386 13.868 1.00 0.00 C ATOM 1809 O HIS A 116 -1.599 -2.517 13.769 1.00 0.00 O ATOM 1810 CB HIS A 116 -3.341 -0.173 13.775 1.00 0.00 C ATOM 1811 CG HIS A 116 -3.409 0.641 15.040 1.00 0.00 C ATOM 1812 ND1 HIS A 116 -2.392 0.635 15.987 1.00 0.00 N ATOM 1813 CD2 HIS A 116 -4.371 1.490 15.532 1.00 0.00 C ATOM 1814 CE1 HIS A 116 -2.763 1.460 16.988 1.00 0.00 C ATOM 1815 NE2 HIS A 116 -3.958 2.003 16.757 1.00 0.00 N ATOM 0 H HIS A 116 -2.645 -0.955 11.398 1.00 0.00 H new ATOM 0 HA HIS A 116 -1.400 0.729 13.524 1.00 0.00 H new ATOM 0 HB2 HIS A 116 -4.005 0.252 13.022 1.00 0.00 H new ATOM 0 HB3 HIS A 116 -3.685 -1.189 13.967 1.00 0.00 H new ATOM 0 HD2 HIS A 116 -5.305 1.723 15.042 1.00 0.00 H new ATOM 0 HE1 HIS A 116 -2.166 1.656 17.867 1.00 0.00 H new ATOM 0 HE2 HIS A 116 -4.464 2.658 17.354 1.00 0.00 H new ATOM 1824 N ILE A 117 -0.053 -1.136 14.511 1.00 0.00 N ATOM 1825 CA ILE A 117 0.716 -2.247 15.147 1.00 0.00 C ATOM 1826 C ILE A 117 0.885 -1.954 16.639 1.00 0.00 C ATOM 1827 O ILE A 117 1.740 -1.196 17.042 1.00 0.00 O ATOM 1828 CB ILE A 117 2.088 -2.362 14.481 1.00 0.00 C ATOM 1829 CG1 ILE A 117 1.906 -2.689 12.997 1.00 0.00 C ATOM 1830 CG2 ILE A 117 2.897 -3.470 15.155 1.00 0.00 C ATOM 1831 CD1 ILE A 117 3.260 -2.619 12.289 1.00 0.00 C ATOM 0 H ILE A 117 0.356 -0.208 14.624 1.00 0.00 H new ATOM 0 HA ILE A 117 0.178 -3.187 15.023 1.00 0.00 H new ATOM 0 HB ILE A 117 2.621 -1.417 14.583 1.00 0.00 H new ATOM 0 HG12 ILE A 117 1.475 -3.684 12.883 1.00 0.00 H new ATOM 0 HG13 ILE A 117 1.209 -1.986 12.542 1.00 0.00 H new ATOM 0 HG21 ILE A 117 3.874 -3.549 14.678 1.00 0.00 H new ATOM 0 HG22 ILE A 117 3.027 -3.234 16.211 1.00 0.00 H new ATOM 0 HG23 ILE A 117 2.368 -4.418 15.057 1.00 0.00 H new ATOM 0 HD11 ILE A 117 3.130 -2.852 11.232 1.00 0.00 H new ATOM 0 HD12 ILE A 117 3.673 -1.615 12.391 1.00 0.00 H new ATOM 0 HD13 ILE A 117 3.943 -3.340 12.738 1.00 0.00 H new ATOM 1843 N GLY A 118 0.076 -2.559 17.459 1.00 0.00 N ATOM 1844 CA GLY A 118 0.171 -2.311 18.927 1.00 0.00 C ATOM 1845 C GLY A 118 -0.731 -1.122 19.305 1.00 0.00 C ATOM 1846 O GLY A 118 -1.824 -0.980 18.798 1.00 0.00 O ATOM 0 H GLY A 118 -0.650 -3.217 17.178 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -0.133 -3.201 19.478 1.00 0.00 H new ATOM 0 HA3 GLY A 118 1.204 -2.101 19.205 1.00 0.00 H new ATOM 1850 N ASP A 119 -0.290 -0.282 20.206 1.00 0.00 N ATOM 1851 CA ASP A 119 -1.136 0.880 20.631 1.00 0.00 C ATOM 1852 C ASP A 119 -0.665 2.153 19.930 1.00 0.00 C ATOM 1853 O ASP A 119 -1.091 3.231 20.258 1.00 0.00 O ATOM 1854 CB ASP A 119 -1.013 1.065 22.141 1.00 0.00 C ATOM 1855 CG ASP A 119 -1.116 -0.295 22.830 1.00 0.00 C ATOM 1856 OD1 ASP A 119 -1.973 -1.071 22.438 1.00 0.00 O ATOM 1857 OD2 ASP A 119 -0.338 -0.538 23.735 1.00 0.00 O ATOM 0 H ASP A 119 0.618 -0.348 20.667 1.00 0.00 H new ATOM 0 HA ASP A 119 -2.174 0.685 20.362 1.00 0.00 H new ATOM 0 HB2 ASP A 119 -0.061 1.537 22.384 1.00 0.00 H new ATOM 0 HB3 ASP A 119 -1.799 1.728 22.502 1.00 0.00 H new ATOM 1862 N GLU A 120 0.180 2.033 18.943 1.00 0.00 N ATOM 1863 CA GLU A 120 0.671 3.240 18.202 1.00 0.00 C ATOM 1864 C GLU A 120 0.106 3.231 16.785 1.00 0.00 C ATOM 1865 O GLU A 120 -0.461 2.254 16.346 1.00 0.00 O ATOM 1866 CB GLU A 120 2.210 3.213 18.134 1.00 0.00 C ATOM 1867 CG GLU A 120 2.708 2.651 16.789 1.00 0.00 C ATOM 1868 CD GLU A 120 2.101 1.269 16.544 1.00 0.00 C ATOM 1869 OE1 GLU A 120 1.157 0.932 17.222 1.00 0.00 O ATOM 1870 OE2 GLU A 120 2.594 0.570 15.680 1.00 0.00 O ATOM 0 H GLU A 120 0.557 1.145 18.612 1.00 0.00 H new ATOM 0 HA GLU A 120 0.344 4.140 18.722 1.00 0.00 H new ATOM 0 HB2 GLU A 120 2.599 4.222 18.274 1.00 0.00 H new ATOM 0 HB3 GLU A 120 2.600 2.605 18.950 1.00 0.00 H new ATOM 0 HG2 GLU A 120 2.434 3.327 15.979 1.00 0.00 H new ATOM 0 HG3 GLU A 120 3.796 2.584 16.794 1.00 0.00 H new ATOM 1877 N VAL A 121 0.247 4.309 16.057 1.00 0.00 N ATOM 1878 CA VAL A 121 -0.287 4.344 14.671 1.00 0.00 C ATOM 1879 C VAL A 121 0.870 4.616 13.690 1.00 0.00 C ATOM 1880 O VAL A 121 1.554 5.613 13.797 1.00 0.00 O ATOM 1881 CB VAL A 121 -1.299 5.484 14.573 1.00 0.00 C ATOM 1882 CG1 VAL A 121 -2.571 4.973 13.897 1.00 0.00 C ATOM 1883 CG2 VAL A 121 -1.634 6.003 15.978 1.00 0.00 C ATOM 0 H VAL A 121 0.709 5.164 16.366 1.00 0.00 H new ATOM 0 HA VAL A 121 -0.760 3.393 14.426 1.00 0.00 H new ATOM 0 HB VAL A 121 -0.874 6.297 13.985 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -3.296 5.784 13.825 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -2.331 4.611 12.897 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -2.994 4.159 14.486 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -2.356 6.816 15.903 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -2.059 5.194 16.573 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -0.726 6.368 16.457 1.00 0.00 H new ATOM 1893 N PHE A 122 1.088 3.745 12.734 1.00 0.00 N ATOM 1894 CA PHE A 122 2.187 3.954 11.747 1.00 0.00 C ATOM 1895 C PHE A 122 1.637 4.744 10.569 1.00 0.00 C ATOM 1896 O PHE A 122 0.556 4.478 10.085 1.00 0.00 O ATOM 1897 CB PHE A 122 2.699 2.594 11.266 1.00 0.00 C ATOM 1898 CG PHE A 122 3.888 2.166 12.095 1.00 0.00 C ATOM 1899 CD1 PHE A 122 3.733 1.866 13.452 1.00 0.00 C ATOM 1900 CD2 PHE A 122 5.147 2.067 11.498 1.00 0.00 C ATOM 1901 CE1 PHE A 122 4.845 1.466 14.214 1.00 0.00 C ATOM 1902 CE2 PHE A 122 6.260 1.670 12.253 1.00 0.00 C ATOM 1903 CZ PHE A 122 6.109 1.370 13.613 1.00 0.00 C ATOM 0 H PHE A 122 0.545 2.892 12.597 1.00 0.00 H new ATOM 0 HA PHE A 122 3.009 4.502 12.207 1.00 0.00 H new ATOM 0 HB2 PHE A 122 1.906 1.850 11.342 1.00 0.00 H new ATOM 0 HB3 PHE A 122 2.981 2.653 10.215 1.00 0.00 H new ATOM 0 HD1 PHE A 122 2.760 1.941 13.914 1.00 0.00 H new ATOM 0 HD2 PHE A 122 5.264 2.297 10.449 1.00 0.00 H new ATOM 0 HE1 PHE A 122 4.726 1.233 15.262 1.00 0.00 H new ATOM 0 HE2 PHE A 122 7.231 1.596 11.787 1.00 0.00 H new ATOM 0 HZ PHE A 122 6.964 1.065 14.198 1.00 0.00 H new ATOM 1913 N GLN A 123 2.402 5.669 10.075 1.00 0.00 N ATOM 1914 CA GLN A 123 1.964 6.455 8.891 1.00 0.00 C ATOM 1915 C GLN A 123 3.028 6.330 7.793 1.00 0.00 C ATOM 1916 O GLN A 123 4.084 6.920 7.888 1.00 0.00 O ATOM 1917 CB GLN A 123 1.780 7.923 9.294 1.00 0.00 C ATOM 1918 CG GLN A 123 1.140 8.690 8.145 1.00 0.00 C ATOM 1919 CD GLN A 123 -0.160 9.324 8.636 1.00 0.00 C ATOM 1920 OE1 GLN A 123 -0.138 10.336 9.309 1.00 0.00 O ATOM 1921 NE2 GLN A 123 -1.298 8.761 8.338 1.00 0.00 N ATOM 0 H GLN A 123 3.320 5.918 10.442 1.00 0.00 H new ATOM 0 HA GLN A 123 1.014 6.075 8.515 1.00 0.00 H new ATOM 0 HB2 GLN A 123 1.154 7.991 10.184 1.00 0.00 H new ATOM 0 HB3 GLN A 123 2.744 8.365 9.548 1.00 0.00 H new ATOM 0 HG2 GLN A 123 1.820 9.460 7.780 1.00 0.00 H new ATOM 0 HG3 GLN A 123 0.940 8.019 7.309 1.00 0.00 H new ATOM 0 HE21 GLN A 123 -1.314 7.912 7.773 1.00 0.00 H new ATOM 0 HE22 GLN A 123 -2.172 9.170 8.670 1.00 0.00 H new ATOM 1930 N VAL A 124 2.783 5.552 6.764 1.00 0.00 N ATOM 1931 CA VAL A 124 3.816 5.391 5.697 1.00 0.00 C ATOM 1932 C VAL A 124 3.294 5.943 4.368 1.00 0.00 C ATOM 1933 O VAL A 124 2.200 5.627 3.939 1.00 0.00 O ATOM 1934 CB VAL A 124 4.141 3.904 5.517 1.00 0.00 C ATOM 1935 CG1 VAL A 124 5.490 3.756 4.805 1.00 0.00 C ATOM 1936 CG2 VAL A 124 4.198 3.197 6.878 1.00 0.00 C ATOM 0 H VAL A 124 1.920 5.027 6.620 1.00 0.00 H new ATOM 0 HA VAL A 124 4.711 5.938 5.993 1.00 0.00 H new ATOM 0 HB VAL A 124 3.356 3.444 4.916 1.00 0.00 H new ATOM 0 HG11 VAL A 124 5.720 2.698 4.678 1.00 0.00 H new ATOM 0 HG12 VAL A 124 5.440 4.237 3.828 1.00 0.00 H new ATOM 0 HG13 VAL A 124 6.270 4.228 5.402 1.00 0.00 H new ATOM 0 HG21 VAL A 124 4.430 2.142 6.731 1.00 0.00 H new ATOM 0 HG22 VAL A 124 4.971 3.656 7.494 1.00 0.00 H new ATOM 0 HG23 VAL A 124 3.233 3.290 7.377 1.00 0.00 H new ATOM 1946 N LEU A 125 4.064 6.770 3.719 1.00 0.00 N ATOM 1947 CA LEU A 125 3.603 7.341 2.431 1.00 0.00 C ATOM 1948 C LEU A 125 3.880 6.313 1.343 1.00 0.00 C ATOM 1949 O LEU A 125 4.942 5.716 1.294 1.00 0.00 O ATOM 1950 CB LEU A 125 4.371 8.638 2.124 1.00 0.00 C ATOM 1951 CG LEU A 125 3.996 9.733 3.125 1.00 0.00 C ATOM 1952 CD1 LEU A 125 2.507 10.035 3.011 1.00 0.00 C ATOM 1953 CD2 LEU A 125 4.313 9.273 4.551 1.00 0.00 C ATOM 0 H LEU A 125 4.989 7.072 4.026 1.00 0.00 H new ATOM 0 HA LEU A 125 2.539 7.574 2.480 1.00 0.00 H new ATOM 0 HB2 LEU A 125 5.444 8.451 2.166 1.00 0.00 H new ATOM 0 HB3 LEU A 125 4.145 8.970 1.111 1.00 0.00 H new ATOM 0 HG LEU A 125 4.573 10.631 2.903 1.00 0.00 H new ATOM 0 HD11 LEU A 125 2.238 10.815 3.724 1.00 0.00 H new ATOM 0 HD12 LEU A 125 2.281 10.374 2.000 1.00 0.00 H new ATOM 0 HD13 LEU A 125 1.935 9.133 3.228 1.00 0.00 H new ATOM 0 HD21 LEU A 125 4.042 10.059 5.256 1.00 0.00 H new ATOM 0 HD22 LEU A 125 3.744 8.371 4.777 1.00 0.00 H new ATOM 0 HD23 LEU A 125 5.379 9.060 4.636 1.00 0.00 H new ATOM 1965 N CYS A 126 2.912 6.088 0.495 1.00 0.00 N ATOM 1966 CA CYS A 126 3.067 5.072 -0.583 1.00 0.00 C ATOM 1967 C CYS A 126 3.024 5.742 -1.952 1.00 0.00 C ATOM 1968 O CYS A 126 2.086 6.436 -2.291 1.00 0.00 O ATOM 1969 CB CYS A 126 1.923 4.065 -0.491 1.00 0.00 C ATOM 1970 SG CYS A 126 1.174 4.149 1.153 1.00 0.00 S ATOM 0 H CYS A 126 2.013 6.570 0.504 1.00 0.00 H new ATOM 0 HA CYS A 126 4.026 4.569 -0.459 1.00 0.00 H new ATOM 0 HB2 CYS A 126 1.175 4.278 -1.254 1.00 0.00 H new ATOM 0 HB3 CYS A 126 2.295 3.058 -0.682 1.00 0.00 H new ATOM 0 HG CYS A 126 0.203 5.013 1.144 1.00 0.00 H new ATOM 1976 N GLU A 127 4.036 5.536 -2.745 1.00 0.00 N ATOM 1977 CA GLU A 127 4.067 6.151 -4.098 1.00 0.00 C ATOM 1978 C GLU A 127 4.497 5.101 -5.112 1.00 0.00 C ATOM 1979 O GLU A 127 5.142 4.127 -4.778 1.00 0.00 O ATOM 1980 CB GLU A 127 5.076 7.296 -4.114 1.00 0.00 C ATOM 1981 CG GLU A 127 4.995 8.031 -5.454 1.00 0.00 C ATOM 1982 CD GLU A 127 6.057 9.128 -5.507 1.00 0.00 C ATOM 1983 OE1 GLU A 127 6.821 9.233 -4.561 1.00 0.00 O ATOM 1984 OE2 GLU A 127 6.092 9.844 -6.495 1.00 0.00 O ATOM 0 H GLU A 127 4.848 4.964 -2.512 1.00 0.00 H new ATOM 0 HA GLU A 127 3.076 6.530 -4.348 1.00 0.00 H new ATOM 0 HB2 GLU A 127 4.871 7.986 -3.296 1.00 0.00 H new ATOM 0 HB3 GLU A 127 6.083 6.909 -3.960 1.00 0.00 H new ATOM 0 HG2 GLU A 127 5.143 7.329 -6.274 1.00 0.00 H new ATOM 0 HG3 GLU A 127 4.003 8.465 -5.582 1.00 0.00 H new ATOM 1991 N LYS A 128 4.145 5.281 -6.352 1.00 0.00 N ATOM 1992 CA LYS A 128 4.530 4.284 -7.382 1.00 0.00 C ATOM 1993 C LYS A 128 6.038 4.087 -7.399 1.00 0.00 C ATOM 1994 O LYS A 128 6.583 3.363 -8.210 1.00 0.00 O ATOM 1995 CB LYS A 128 4.060 4.763 -8.754 1.00 0.00 C ATOM 1996 CG LYS A 128 5.189 5.563 -9.430 1.00 0.00 C ATOM 1997 CD LYS A 128 4.638 6.375 -10.603 1.00 0.00 C ATOM 1998 CE LYS A 128 3.617 7.368 -10.076 1.00 0.00 C ATOM 1999 NZ LYS A 128 3.716 8.648 -10.839 1.00 0.00 N ATOM 0 H LYS A 128 3.607 6.076 -6.696 1.00 0.00 H new ATOM 0 HA LYS A 128 4.058 3.331 -7.142 1.00 0.00 H new ATOM 0 HB2 LYS A 128 3.782 3.910 -9.374 1.00 0.00 H new ATOM 0 HB3 LYS A 128 3.171 5.385 -8.650 1.00 0.00 H new ATOM 0 HG2 LYS A 128 5.655 6.230 -8.705 1.00 0.00 H new ATOM 0 HG3 LYS A 128 5.965 4.883 -9.783 1.00 0.00 H new ATOM 0 HD2 LYS A 128 5.447 6.900 -11.111 1.00 0.00 H new ATOM 0 HD3 LYS A 128 4.177 5.713 -11.336 1.00 0.00 H new ATOM 0 HE2 LYS A 128 2.613 6.955 -10.169 1.00 0.00 H new ATOM 0 HE3 LYS A 128 3.789 7.552 -9.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 3.015 9.324 -10.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 4.671 9.045 -10.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 3.531 8.467 -11.846 1.00 0.00 H new ATOM 2013 N ASN A 129 6.705 4.713 -6.496 1.00 0.00 N ATOM 2014 CA ASN A 129 8.180 4.575 -6.427 1.00 0.00 C ATOM 2015 C ASN A 129 8.580 3.235 -5.822 1.00 0.00 C ATOM 2016 O ASN A 129 9.305 2.470 -6.424 1.00 0.00 O ATOM 2017 CB ASN A 129 8.742 5.677 -5.560 1.00 0.00 C ATOM 2018 CG ASN A 129 10.202 5.921 -5.946 1.00 0.00 C ATOM 2019 OD1 ASN A 129 10.495 6.227 -7.085 1.00 0.00 O ATOM 2020 ND2 ASN A 129 11.135 5.792 -5.045 1.00 0.00 N ATOM 0 H ASN A 129 6.294 5.324 -5.790 1.00 0.00 H new ATOM 0 HA ASN A 129 8.575 4.637 -7.441 1.00 0.00 H new ATOM 0 HB2 ASN A 129 8.161 6.590 -5.689 1.00 0.00 H new ATOM 0 HB3 ASN A 129 8.672 5.401 -4.508 1.00 0.00 H new ATOM 0 HD21 ASN A 129 12.111 5.948 -5.296 1.00 0.00 H new ATOM 0 HD22 ASN A 129 10.889 5.535 -4.089 1.00 0.00 H new ATOM 2027 N ASP A 130 8.165 2.974 -4.613 1.00 0.00 N ATOM 2028 CA ASP A 130 8.581 1.710 -3.951 1.00 0.00 C ATOM 2029 C ASP A 130 7.386 0.757 -3.773 1.00 0.00 C ATOM 2030 O ASP A 130 6.425 0.754 -4.541 1.00 0.00 O ATOM 2031 CB ASP A 130 9.241 2.028 -2.590 1.00 0.00 C ATOM 2032 CG ASP A 130 10.522 2.856 -2.815 1.00 0.00 C ATOM 2033 OD1 ASP A 130 11.003 2.877 -3.934 1.00 0.00 O ATOM 2034 OD2 ASP A 130 10.996 3.452 -1.858 1.00 0.00 O ATOM 0 H ASP A 130 7.559 3.579 -4.059 1.00 0.00 H new ATOM 0 HA ASP A 130 9.308 1.205 -4.587 1.00 0.00 H new ATOM 0 HB2 ASP A 130 8.546 2.580 -1.958 1.00 0.00 H new ATOM 0 HB3 ASP A 130 9.482 1.103 -2.066 1.00 0.00 H new ATOM 2039 N LEU A 131 7.462 -0.076 -2.776 1.00 0.00 N ATOM 2040 CA LEU A 131 6.387 -1.068 -2.522 1.00 0.00 C ATOM 2041 C LEU A 131 6.173 -1.235 -1.016 1.00 0.00 C ATOM 2042 O LEU A 131 7.089 -1.091 -0.230 1.00 0.00 O ATOM 2043 CB LEU A 131 6.776 -2.401 -3.149 1.00 0.00 C ATOM 2044 CG LEU A 131 5.655 -3.417 -2.912 1.00 0.00 C ATOM 2045 CD1 LEU A 131 5.234 -4.053 -4.234 1.00 0.00 C ATOM 2046 CD2 LEU A 131 6.153 -4.509 -1.970 1.00 0.00 C ATOM 0 H LEU A 131 8.238 -0.111 -2.115 1.00 0.00 H new ATOM 0 HA LEU A 131 5.456 -0.718 -2.967 1.00 0.00 H new ATOM 0 HB2 LEU A 131 6.950 -2.276 -4.218 1.00 0.00 H new ATOM 0 HB3 LEU A 131 7.708 -2.762 -2.714 1.00 0.00 H new ATOM 0 HG LEU A 131 4.800 -2.905 -2.471 1.00 0.00 H new ATOM 0 HD11 LEU A 131 4.436 -4.774 -4.053 1.00 0.00 H new ATOM 0 HD12 LEU A 131 4.876 -3.279 -4.913 1.00 0.00 H new ATOM 0 HD13 LEU A 131 6.088 -4.562 -4.681 1.00 0.00 H new ATOM 0 HD21 LEU A 131 5.357 -5.234 -1.800 1.00 0.00 H new ATOM 0 HD22 LEU A 131 7.011 -5.011 -2.417 1.00 0.00 H new ATOM 0 HD23 LEU A 131 6.447 -4.063 -1.020 1.00 0.00 H new ATOM 2058 N ILE A 132 4.979 -1.565 -0.620 1.00 0.00 N ATOM 2059 CA ILE A 132 4.706 -1.768 0.828 1.00 0.00 C ATOM 2060 C ILE A 132 3.842 -3.019 1.029 1.00 0.00 C ATOM 2061 O ILE A 132 2.909 -3.269 0.292 1.00 0.00 O ATOM 2062 CB ILE A 132 3.968 -0.553 1.367 1.00 0.00 C ATOM 2063 CG1 ILE A 132 4.068 -0.525 2.889 1.00 0.00 C ATOM 2064 CG2 ILE A 132 2.500 -0.646 0.965 1.00 0.00 C ATOM 2065 CD1 ILE A 132 3.629 0.844 3.389 1.00 0.00 C ATOM 0 H ILE A 132 4.178 -1.703 -1.237 1.00 0.00 H new ATOM 0 HA ILE A 132 5.649 -1.899 1.360 1.00 0.00 H new ATOM 0 HB ILE A 132 4.412 0.355 0.958 1.00 0.00 H new ATOM 0 HG12 ILE A 132 3.440 -1.303 3.322 1.00 0.00 H new ATOM 0 HG13 ILE A 132 5.091 -0.730 3.203 1.00 0.00 H new ATOM 0 HG21 ILE A 132 1.962 0.222 1.347 1.00 0.00 H new ATOM 0 HG22 ILE A 132 2.421 -0.672 -0.122 1.00 0.00 H new ATOM 0 HG23 ILE A 132 2.066 -1.555 1.382 1.00 0.00 H new ATOM 0 HD11 ILE A 132 3.697 0.873 4.476 1.00 0.00 H new ATOM 0 HD12 ILE A 132 4.276 1.611 2.964 1.00 0.00 H new ATOM 0 HD13 ILE A 132 2.599 1.029 3.085 1.00 0.00 H new ATOM 2077 N SER A 133 4.133 -3.800 2.030 1.00 0.00 N ATOM 2078 CA SER A 133 3.314 -5.020 2.287 1.00 0.00 C ATOM 2079 C SER A 133 3.293 -5.301 3.790 1.00 0.00 C ATOM 2080 O SER A 133 4.328 -5.425 4.412 1.00 0.00 O ATOM 2081 CB SER A 133 3.927 -6.215 1.554 1.00 0.00 C ATOM 2082 OG SER A 133 3.174 -7.380 1.851 1.00 0.00 O ATOM 0 H SER A 133 4.902 -3.648 2.682 1.00 0.00 H new ATOM 0 HA SER A 133 2.298 -4.860 1.927 1.00 0.00 H new ATOM 0 HB2 SER A 133 3.931 -6.034 0.479 1.00 0.00 H new ATOM 0 HB3 SER A 133 4.965 -6.351 1.859 1.00 0.00 H new ATOM 0 HG SER A 133 2.251 -7.259 1.546 1.00 0.00 H new ATOM 2088 N VAL A 134 2.135 -5.391 4.392 1.00 0.00 N ATOM 2089 CA VAL A 134 2.083 -5.642 5.861 1.00 0.00 C ATOM 2090 C VAL A 134 1.642 -7.088 6.113 1.00 0.00 C ATOM 2091 O VAL A 134 0.947 -7.679 5.310 1.00 0.00 O ATOM 2092 CB VAL A 134 1.068 -4.678 6.485 1.00 0.00 C ATOM 2093 CG1 VAL A 134 1.257 -3.283 5.884 1.00 0.00 C ATOM 2094 CG2 VAL A 134 -0.352 -5.178 6.197 1.00 0.00 C ATOM 0 H VAL A 134 1.229 -5.302 3.932 1.00 0.00 H new ATOM 0 HA VAL A 134 3.066 -5.485 6.305 1.00 0.00 H new ATOM 0 HB VAL A 134 1.222 -4.630 7.563 1.00 0.00 H new ATOM 0 HG11 VAL A 134 0.536 -2.596 6.326 1.00 0.00 H new ATOM 0 HG12 VAL A 134 2.268 -2.932 6.091 1.00 0.00 H new ATOM 0 HG13 VAL A 134 1.102 -3.327 4.806 1.00 0.00 H new ATOM 0 HG21 VAL A 134 -1.076 -4.494 6.640 1.00 0.00 H new ATOM 0 HG22 VAL A 134 -0.510 -5.225 5.119 1.00 0.00 H new ATOM 0 HG23 VAL A 134 -0.482 -6.171 6.626 1.00 0.00 H new ATOM 2104 N PRO A 135 2.054 -7.662 7.219 1.00 0.00 N ATOM 2105 CA PRO A 135 1.705 -9.068 7.578 1.00 0.00 C ATOM 2106 C PRO A 135 0.206 -9.254 7.840 1.00 0.00 C ATOM 2107 O PRO A 135 -0.543 -8.301 7.935 1.00 0.00 O ATOM 2108 CB PRO A 135 2.513 -9.339 8.855 1.00 0.00 C ATOM 2109 CG PRO A 135 2.806 -7.998 9.430 1.00 0.00 C ATOM 2110 CD PRO A 135 2.899 -7.036 8.250 1.00 0.00 C ATOM 0 HA PRO A 135 1.937 -9.755 6.765 1.00 0.00 H new ATOM 0 HB2 PRO A 135 1.946 -9.952 9.556 1.00 0.00 H new ATOM 0 HB3 PRO A 135 3.433 -9.880 8.631 1.00 0.00 H new ATOM 0 HG2 PRO A 135 2.020 -7.691 10.121 1.00 0.00 H new ATOM 0 HG3 PRO A 135 3.739 -8.012 9.994 1.00 0.00 H new ATOM 0 HD2 PRO A 135 2.537 -6.042 8.514 1.00 0.00 H new ATOM 0 HD3 PRO A 135 3.928 -6.920 7.908 1.00 0.00 H new ATOM 2118 N ALA A 136 -0.232 -10.478 7.960 1.00 0.00 N ATOM 2119 CA ALA A 136 -1.675 -10.737 8.223 1.00 0.00 C ATOM 2120 C ALA A 136 -1.986 -10.382 9.674 1.00 0.00 C ATOM 2121 O ALA A 136 -1.104 -10.054 10.439 1.00 0.00 O ATOM 2122 CB ALA A 136 -1.986 -12.216 8.006 1.00 0.00 C ATOM 0 H ALA A 136 0.350 -11.312 7.887 1.00 0.00 H new ATOM 0 HA ALA A 136 -2.278 -10.134 7.544 1.00 0.00 H new ATOM 0 HB1 ALA A 136 -3.043 -12.398 8.200 1.00 0.00 H new ATOM 0 HB2 ALA A 136 -1.754 -12.489 6.977 1.00 0.00 H new ATOM 0 HB3 ALA A 136 -1.383 -12.818 8.686 1.00 0.00 H new ATOM 2128 N HIS A 137 -3.237 -10.436 10.050 1.00 0.00 N ATOM 2129 CA HIS A 137 -3.625 -10.100 11.451 1.00 0.00 C ATOM 2130 C HIS A 137 -3.348 -8.628 11.720 1.00 0.00 C ATOM 2131 O HIS A 137 -3.554 -8.143 12.812 1.00 0.00 O ATOM 2132 CB HIS A 137 -2.840 -10.963 12.441 1.00 0.00 C ATOM 2133 CG HIS A 137 -2.900 -12.395 11.996 1.00 0.00 C ATOM 2134 ND1 HIS A 137 -4.074 -12.961 11.533 1.00 0.00 N ATOM 2135 CD2 HIS A 137 -1.953 -13.390 11.940 1.00 0.00 C ATOM 2136 CE1 HIS A 137 -3.815 -14.240 11.222 1.00 0.00 C ATOM 2137 NE2 HIS A 137 -2.537 -14.555 11.455 1.00 0.00 N ATOM 0 H HIS A 137 -4.012 -10.700 9.442 1.00 0.00 H new ATOM 0 HA HIS A 137 -4.689 -10.298 11.579 1.00 0.00 H new ATOM 0 HB2 HIS A 137 -1.804 -10.628 12.493 1.00 0.00 H new ATOM 0 HB3 HIS A 137 -3.258 -10.862 13.442 1.00 0.00 H new ATOM 0 HD2 HIS A 137 -0.917 -13.283 12.228 1.00 0.00 H new ATOM 0 HE1 HIS A 137 -4.548 -14.930 10.832 1.00 0.00 H new ATOM 0 HE2 HIS A 137 -2.086 -15.458 11.308 1.00 0.00 H new ATOM 2146 N THR A 138 -2.903 -7.909 10.729 1.00 0.00 N ATOM 2147 CA THR A 138 -2.639 -6.457 10.932 1.00 0.00 C ATOM 2148 C THR A 138 -3.689 -5.641 10.147 1.00 0.00 C ATOM 2149 O THR A 138 -3.747 -5.723 8.936 1.00 0.00 O ATOM 2150 CB THR A 138 -1.227 -6.117 10.447 1.00 0.00 C ATOM 2151 OG1 THR A 138 -0.325 -7.102 10.929 1.00 0.00 O ATOM 2152 CG2 THR A 138 -0.825 -4.750 10.998 1.00 0.00 C ATOM 0 H THR A 138 -2.711 -8.261 9.791 1.00 0.00 H new ATOM 0 HA THR A 138 -2.711 -6.210 11.991 1.00 0.00 H new ATOM 0 HB THR A 138 -1.202 -6.095 9.358 1.00 0.00 H new ATOM 0 HG1 THR A 138 0.441 -6.664 11.355 1.00 0.00 H new ATOM 0 HG21 THR A 138 0.180 -4.501 10.657 1.00 0.00 H new ATOM 0 HG22 THR A 138 -1.526 -3.994 10.644 1.00 0.00 H new ATOM 0 HG23 THR A 138 -0.841 -4.778 12.088 1.00 0.00 H new ATOM 2160 N PRO A 139 -4.529 -4.871 10.816 1.00 0.00 N ATOM 2161 CA PRO A 139 -5.582 -4.059 10.133 1.00 0.00 C ATOM 2162 C PRO A 139 -4.987 -2.857 9.396 1.00 0.00 C ATOM 2163 O PRO A 139 -4.065 -2.219 9.867 1.00 0.00 O ATOM 2164 CB PRO A 139 -6.486 -3.599 11.277 1.00 0.00 C ATOM 2165 CG PRO A 139 -5.622 -3.611 12.491 1.00 0.00 C ATOM 2166 CD PRO A 139 -4.566 -4.689 12.277 1.00 0.00 C ATOM 0 HA PRO A 139 -6.111 -4.631 9.371 1.00 0.00 H new ATOM 0 HB2 PRO A 139 -6.884 -2.602 11.087 1.00 0.00 H new ATOM 0 HB3 PRO A 139 -7.340 -4.266 11.396 1.00 0.00 H new ATOM 0 HG2 PRO A 139 -5.154 -2.638 12.641 1.00 0.00 H new ATOM 0 HG3 PRO A 139 -6.213 -3.822 13.382 1.00 0.00 H new ATOM 0 HD2 PRO A 139 -3.596 -4.379 12.665 1.00 0.00 H new ATOM 0 HD3 PRO A 139 -4.832 -5.615 12.787 1.00 0.00 H new ATOM 2174 N HIS A 140 -5.535 -2.516 8.265 1.00 0.00 N ATOM 2175 CA HIS A 140 -5.031 -1.330 7.523 1.00 0.00 C ATOM 2176 C HIS A 140 -6.201 -0.513 6.958 1.00 0.00 C ATOM 2177 O HIS A 140 -7.320 -0.978 6.894 1.00 0.00 O ATOM 2178 CB HIS A 140 -4.131 -1.793 6.402 1.00 0.00 C ATOM 2179 CG HIS A 140 -4.700 -3.042 5.805 1.00 0.00 C ATOM 2180 ND1 HIS A 140 -5.002 -4.172 6.566 1.00 0.00 N ATOM 2181 CD2 HIS A 140 -5.023 -3.356 4.517 1.00 0.00 C ATOM 2182 CE1 HIS A 140 -5.483 -5.109 5.721 1.00 0.00 C ATOM 2183 NE2 HIS A 140 -5.509 -4.649 4.472 1.00 0.00 N ATOM 0 H HIS A 140 -6.311 -3.008 7.822 1.00 0.00 H new ATOM 0 HA HIS A 140 -4.468 -0.693 8.205 1.00 0.00 H new ATOM 0 HB2 HIS A 140 -4.047 -1.017 5.642 1.00 0.00 H new ATOM 0 HB3 HIS A 140 -3.126 -1.980 6.779 1.00 0.00 H new ATOM 0 HD1 HIS A 140 -4.882 -4.272 7.574 1.00 0.00 H new ATOM 0 HD2 HIS A 140 -4.916 -2.698 3.667 1.00 0.00 H new ATOM 0 HE1 HIS A 140 -5.803 -6.097 6.018 1.00 0.00 H new ATOM 2191 N TRP A 141 -5.945 0.684 6.501 1.00 0.00 N ATOM 2192 CA TRP A 141 -7.039 1.497 5.887 1.00 0.00 C ATOM 2193 C TRP A 141 -6.426 2.480 4.876 1.00 0.00 C ATOM 2194 O TRP A 141 -5.313 2.937 5.045 1.00 0.00 O ATOM 2195 CB TRP A 141 -7.786 2.275 6.969 1.00 0.00 C ATOM 2196 CG TRP A 141 -6.819 3.116 7.725 1.00 0.00 C ATOM 2197 CD1 TRP A 141 -6.322 4.298 7.302 1.00 0.00 C ATOM 2198 CD2 TRP A 141 -6.229 2.858 9.025 1.00 0.00 C ATOM 2199 NE1 TRP A 141 -5.459 4.787 8.264 1.00 0.00 N ATOM 2200 CE2 TRP A 141 -5.368 3.930 9.352 1.00 0.00 C ATOM 2201 CE3 TRP A 141 -6.360 1.802 9.942 1.00 0.00 C ATOM 2202 CZ2 TRP A 141 -4.658 3.951 10.557 1.00 0.00 C ATOM 2203 CZ3 TRP A 141 -5.651 1.818 11.150 1.00 0.00 C ATOM 2204 CH2 TRP A 141 -4.802 2.888 11.460 1.00 0.00 C ATOM 0 H TRP A 141 -5.030 1.134 6.525 1.00 0.00 H new ATOM 0 HA TRP A 141 -7.742 0.835 5.382 1.00 0.00 H new ATOM 0 HB2 TRP A 141 -8.555 2.901 6.517 1.00 0.00 H new ATOM 0 HB3 TRP A 141 -8.292 1.586 7.645 1.00 0.00 H new ATOM 0 HD1 TRP A 141 -6.560 4.782 6.366 1.00 0.00 H new ATOM 0 HE1 TRP A 141 -4.952 5.668 8.184 1.00 0.00 H new ATOM 0 HE3 TRP A 141 -7.012 0.972 9.714 1.00 0.00 H new ATOM 0 HZ2 TRP A 141 -4.005 4.779 10.790 1.00 0.00 H new ATOM 0 HZ3 TRP A 141 -5.760 1.000 11.847 1.00 0.00 H new ATOM 0 HH2 TRP A 141 -4.259 2.894 12.393 1.00 0.00 H new ATOM 2215 N PHE A 142 -7.131 2.809 3.824 1.00 0.00 N ATOM 2216 CA PHE A 142 -6.569 3.763 2.813 1.00 0.00 C ATOM 2217 C PHE A 142 -6.993 5.187 3.163 1.00 0.00 C ATOM 2218 O PHE A 142 -8.025 5.399 3.747 1.00 0.00 O ATOM 2219 CB PHE A 142 -7.108 3.413 1.424 1.00 0.00 C ATOM 2220 CG PHE A 142 -6.094 2.586 0.676 1.00 0.00 C ATOM 2221 CD1 PHE A 142 -6.081 1.196 0.826 1.00 0.00 C ATOM 2222 CD2 PHE A 142 -5.175 3.204 -0.184 1.00 0.00 C ATOM 2223 CE1 PHE A 142 -5.153 0.424 0.122 1.00 0.00 C ATOM 2224 CE2 PHE A 142 -4.247 2.435 -0.881 1.00 0.00 C ATOM 2225 CZ PHE A 142 -4.232 1.047 -0.732 1.00 0.00 C ATOM 0 H PHE A 142 -8.068 2.462 3.619 1.00 0.00 H new ATOM 0 HA PHE A 142 -5.481 3.689 2.817 1.00 0.00 H new ATOM 0 HB2 PHE A 142 -8.044 2.862 1.515 1.00 0.00 H new ATOM 0 HB3 PHE A 142 -7.328 4.325 0.869 1.00 0.00 H new ATOM 0 HD1 PHE A 142 -6.789 0.718 1.487 1.00 0.00 H new ATOM 0 HD2 PHE A 142 -5.187 4.277 -0.306 1.00 0.00 H new ATOM 0 HE1 PHE A 142 -5.145 -0.650 0.235 1.00 0.00 H new ATOM 0 HE2 PHE A 142 -3.537 2.914 -1.539 1.00 0.00 H new ATOM 0 HZ PHE A 142 -3.511 0.453 -1.274 1.00 0.00 H new ATOM 2235 N ASP A 143 -6.208 6.167 2.812 1.00 0.00 N ATOM 2236 CA ASP A 143 -6.602 7.568 3.130 1.00 0.00 C ATOM 2237 C ASP A 143 -7.287 8.172 1.903 1.00 0.00 C ATOM 2238 O ASP A 143 -6.662 8.424 0.895 1.00 0.00 O ATOM 2239 CB ASP A 143 -5.352 8.378 3.481 1.00 0.00 C ATOM 2240 CG ASP A 143 -5.741 9.816 3.824 1.00 0.00 C ATOM 2241 OD1 ASP A 143 -6.083 10.062 4.968 1.00 0.00 O ATOM 2242 OD2 ASP A 143 -5.689 10.651 2.934 1.00 0.00 O ATOM 0 H ASP A 143 -5.319 6.061 2.323 1.00 0.00 H new ATOM 0 HA ASP A 143 -7.286 7.586 3.979 1.00 0.00 H new ATOM 0 HB2 ASP A 143 -4.837 7.920 4.326 1.00 0.00 H new ATOM 0 HB3 ASP A 143 -4.656 8.371 2.642 1.00 0.00 H new ATOM 2247 N MET A 144 -8.568 8.400 1.982 1.00 0.00 N ATOM 2248 CA MET A 144 -9.295 8.980 0.819 1.00 0.00 C ATOM 2249 C MET A 144 -9.444 10.492 0.986 1.00 0.00 C ATOM 2250 O MET A 144 -10.344 11.082 0.426 1.00 0.00 O ATOM 2251 CB MET A 144 -10.674 8.337 0.700 1.00 0.00 C ATOM 2252 CG MET A 144 -10.497 6.847 0.422 1.00 0.00 C ATOM 2253 SD MET A 144 -9.995 6.615 -1.300 1.00 0.00 S ATOM 2254 CE MET A 144 -9.751 4.828 -1.210 1.00 0.00 C ATOM 0 H MET A 144 -9.143 8.210 2.802 1.00 0.00 H new ATOM 0 HA MET A 144 -8.723 8.781 -0.087 1.00 0.00 H new ATOM 0 HB2 MET A 144 -11.241 8.485 1.619 1.00 0.00 H new ATOM 0 HB3 MET A 144 -11.242 8.806 -0.103 1.00 0.00 H new ATOM 0 HG2 MET A 144 -9.746 6.427 1.091 1.00 0.00 H new ATOM 0 HG3 MET A 144 -11.429 6.316 0.616 1.00 0.00 H new ATOM 0 HE1 MET A 144 -8.977 4.530 -1.917 1.00 0.00 H new ATOM 0 HE2 MET A 144 -9.446 4.553 -0.200 1.00 0.00 H new ATOM 0 HE3 MET A 144 -10.683 4.321 -1.458 1.00 0.00 H new ATOM 2264 N GLY A 145 -8.594 11.110 1.773 1.00 0.00 N ATOM 2265 CA GLY A 145 -8.698 12.591 1.993 1.00 0.00 C ATOM 2266 C GLY A 145 -9.189 13.264 0.713 1.00 0.00 C ATOM 2267 O GLY A 145 -9.840 14.289 0.737 1.00 0.00 O ATOM 0 H GLY A 145 -7.832 10.653 2.273 1.00 0.00 H new ATOM 0 HA2 GLY A 145 -9.385 12.800 2.813 1.00 0.00 H new ATOM 0 HA3 GLY A 145 -7.727 12.996 2.280 1.00 0.00 H new ATOM 2271 N SER A 146 -8.875 12.682 -0.407 1.00 0.00 N ATOM 2272 CA SER A 146 -9.300 13.261 -1.708 1.00 0.00 C ATOM 2273 C SER A 146 -9.780 12.134 -2.612 1.00 0.00 C ATOM 2274 O SER A 146 -9.721 10.973 -2.251 1.00 0.00 O ATOM 2275 CB SER A 146 -8.117 13.968 -2.376 1.00 0.00 C ATOM 2276 OG SER A 146 -7.120 13.007 -2.708 1.00 0.00 O ATOM 0 H SER A 146 -8.335 11.819 -0.477 1.00 0.00 H new ATOM 0 HA SER A 146 -10.101 13.981 -1.541 1.00 0.00 H new ATOM 0 HB2 SER A 146 -8.450 14.489 -3.274 1.00 0.00 H new ATOM 0 HB3 SER A 146 -7.703 14.721 -1.706 1.00 0.00 H new ATOM 0 HG SER A 146 -6.362 13.457 -3.137 1.00 0.00 H new ATOM 2282 N GLU A 147 -10.243 12.456 -3.793 1.00 0.00 N ATOM 2283 CA GLU A 147 -10.713 11.390 -4.729 1.00 0.00 C ATOM 2284 C GLU A 147 -9.842 11.371 -6.007 1.00 0.00 C ATOM 2285 O GLU A 147 -10.327 11.674 -7.082 1.00 0.00 O ATOM 2286 CB GLU A 147 -12.167 11.680 -5.117 1.00 0.00 C ATOM 2287 CG GLU A 147 -13.097 11.167 -4.018 1.00 0.00 C ATOM 2288 CD GLU A 147 -12.677 11.765 -2.675 1.00 0.00 C ATOM 2289 OE1 GLU A 147 -12.983 12.923 -2.442 1.00 0.00 O ATOM 2290 OE2 GLU A 147 -12.053 11.056 -1.903 1.00 0.00 O ATOM 0 H GLU A 147 -10.316 13.409 -4.149 1.00 0.00 H new ATOM 0 HA GLU A 147 -10.636 10.421 -4.236 1.00 0.00 H new ATOM 0 HB2 GLU A 147 -12.310 12.751 -5.259 1.00 0.00 H new ATOM 0 HB3 GLU A 147 -12.405 11.198 -6.065 1.00 0.00 H new ATOM 0 HG2 GLU A 147 -14.128 11.439 -4.243 1.00 0.00 H new ATOM 0 HG3 GLU A 147 -13.057 10.079 -3.972 1.00 0.00 H new ATOM 2297 N PRO A 148 -8.582 11.004 -5.904 1.00 0.00 N ATOM 2298 CA PRO A 148 -7.664 10.937 -7.064 1.00 0.00 C ATOM 2299 C PRO A 148 -7.659 9.555 -7.708 1.00 0.00 C ATOM 2300 O PRO A 148 -8.005 8.570 -7.088 1.00 0.00 O ATOM 2301 CB PRO A 148 -6.310 11.231 -6.441 1.00 0.00 C ATOM 2302 CG PRO A 148 -6.396 10.688 -5.048 1.00 0.00 C ATOM 2303 CD PRO A 148 -7.877 10.606 -4.678 1.00 0.00 C ATOM 0 HA PRO A 148 -7.947 11.626 -7.860 1.00 0.00 H new ATOM 0 HB2 PRO A 148 -5.506 10.754 -7.001 1.00 0.00 H new ATOM 0 HB3 PRO A 148 -6.103 12.301 -6.435 1.00 0.00 H new ATOM 0 HG2 PRO A 148 -5.931 9.704 -4.991 1.00 0.00 H new ATOM 0 HG3 PRO A 148 -5.862 11.334 -4.351 1.00 0.00 H new ATOM 0 HD2 PRO A 148 -8.154 9.598 -4.369 1.00 0.00 H new ATOM 0 HD3 PRO A 148 -8.117 11.271 -3.848 1.00 0.00 H new ATOM 2311 N ASN A 149 -7.256 9.473 -8.940 1.00 0.00 N ATOM 2312 CA ASN A 149 -7.217 8.147 -9.613 1.00 0.00 C ATOM 2313 C ASN A 149 -5.900 7.447 -9.262 1.00 0.00 C ATOM 2314 O ASN A 149 -4.909 7.582 -9.953 1.00 0.00 O ATOM 2315 CB ASN A 149 -7.303 8.348 -11.126 1.00 0.00 C ATOM 2316 CG ASN A 149 -6.102 9.173 -11.583 1.00 0.00 C ATOM 2317 OD1 ASN A 149 -5.754 10.156 -10.961 1.00 0.00 O ATOM 2318 ND2 ASN A 149 -5.437 8.810 -12.645 1.00 0.00 N ATOM 0 H ASN A 149 -6.952 10.262 -9.510 1.00 0.00 H new ATOM 0 HA ASN A 149 -8.056 7.536 -9.280 1.00 0.00 H new ATOM 0 HB2 ASN A 149 -7.314 7.384 -11.635 1.00 0.00 H new ATOM 0 HB3 ASN A 149 -8.231 8.856 -11.387 1.00 0.00 H new ATOM 0 HD21 ASN A 149 -4.628 9.351 -12.950 1.00 0.00 H new ATOM 0 HD22 ASN A 149 -5.726 7.985 -13.170 1.00 0.00 H new ATOM 2325 N PHE A 150 -5.886 6.704 -8.185 1.00 0.00 N ATOM 2326 CA PHE A 150 -4.641 5.994 -7.772 1.00 0.00 C ATOM 2327 C PHE A 150 -4.692 4.538 -8.240 1.00 0.00 C ATOM 2328 O PHE A 150 -5.645 3.827 -7.988 1.00 0.00 O ATOM 2329 CB PHE A 150 -4.512 6.060 -6.240 1.00 0.00 C ATOM 2330 CG PHE A 150 -5.224 4.882 -5.599 1.00 0.00 C ATOM 2331 CD1 PHE A 150 -6.604 4.694 -5.789 1.00 0.00 C ATOM 2332 CD2 PHE A 150 -4.497 3.958 -4.832 1.00 0.00 C ATOM 2333 CE1 PHE A 150 -7.249 3.589 -5.209 1.00 0.00 C ATOM 2334 CE2 PHE A 150 -5.148 2.854 -4.265 1.00 0.00 C ATOM 2335 CZ PHE A 150 -6.518 2.671 -4.455 1.00 0.00 C ATOM 0 H PHE A 150 -6.688 6.559 -7.572 1.00 0.00 H new ATOM 0 HA PHE A 150 -3.774 6.472 -8.228 1.00 0.00 H new ATOM 0 HB2 PHE A 150 -3.460 6.055 -5.957 1.00 0.00 H new ATOM 0 HB3 PHE A 150 -4.937 6.994 -5.873 1.00 0.00 H new ATOM 0 HD1 PHE A 150 -7.169 5.399 -6.381 1.00 0.00 H new ATOM 0 HD2 PHE A 150 -3.437 4.098 -4.679 1.00 0.00 H new ATOM 0 HE1 PHE A 150 -8.311 3.450 -5.347 1.00 0.00 H new ATOM 0 HE2 PHE A 150 -4.587 2.142 -3.678 1.00 0.00 H new ATOM 0 HZ PHE A 150 -7.013 1.817 -4.017 1.00 0.00 H new ATOM 2345 N THR A 151 -3.671 4.085 -8.913 1.00 0.00 N ATOM 2346 CA THR A 151 -3.661 2.672 -9.382 1.00 0.00 C ATOM 2347 C THR A 151 -2.883 1.829 -8.374 1.00 0.00 C ATOM 2348 O THR A 151 -1.786 2.172 -7.977 1.00 0.00 O ATOM 2349 CB THR A 151 -2.980 2.589 -10.749 1.00 0.00 C ATOM 2350 OG1 THR A 151 -3.576 3.527 -11.634 1.00 0.00 O ATOM 2351 CG2 THR A 151 -3.131 1.181 -11.325 1.00 0.00 C ATOM 0 H THR A 151 -2.845 4.631 -9.158 1.00 0.00 H new ATOM 0 HA THR A 151 -4.683 2.303 -9.470 1.00 0.00 H new ATOM 0 HB THR A 151 -1.920 2.816 -10.632 1.00 0.00 H new ATOM 0 HG1 THR A 151 -3.382 3.272 -12.560 1.00 0.00 H new ATOM 0 HG21 THR A 151 -2.643 1.132 -12.298 1.00 0.00 H new ATOM 0 HG22 THR A 151 -2.669 0.460 -10.650 1.00 0.00 H new ATOM 0 HG23 THR A 151 -4.189 0.945 -11.437 1.00 0.00 H new ATOM 2359 N ALA A 152 -3.448 0.736 -7.948 1.00 0.00 N ATOM 2360 CA ALA A 152 -2.755 -0.135 -6.958 1.00 0.00 C ATOM 2361 C ALA A 152 -2.878 -1.601 -7.387 1.00 0.00 C ATOM 2362 O ALA A 152 -3.796 -1.979 -8.084 1.00 0.00 O ATOM 2363 CB ALA A 152 -3.371 0.063 -5.578 1.00 0.00 C ATOM 0 H ALA A 152 -4.366 0.405 -8.244 1.00 0.00 H new ATOM 0 HA ALA A 152 -1.700 0.134 -6.915 1.00 0.00 H new ATOM 0 HB1 ALA A 152 -2.861 -0.576 -4.857 1.00 0.00 H new ATOM 0 HB2 ALA A 152 -3.264 1.106 -5.278 1.00 0.00 H new ATOM 0 HB3 ALA A 152 -4.429 -0.199 -5.611 1.00 0.00 H new ATOM 2369 N ILE A 153 -1.973 -2.431 -6.952 1.00 0.00 N ATOM 2370 CA ILE A 153 -2.049 -3.879 -7.312 1.00 0.00 C ATOM 2371 C ILE A 153 -2.124 -4.700 -6.032 1.00 0.00 C ATOM 2372 O ILE A 153 -1.274 -4.599 -5.201 1.00 0.00 O ATOM 2373 CB ILE A 153 -0.799 -4.271 -8.094 1.00 0.00 C ATOM 2374 CG1 ILE A 153 -0.601 -3.281 -9.243 1.00 0.00 C ATOM 2375 CG2 ILE A 153 -0.962 -5.686 -8.644 1.00 0.00 C ATOM 2376 CD1 ILE A 153 0.023 -3.993 -10.445 1.00 0.00 C ATOM 0 H ILE A 153 -1.182 -2.172 -6.362 1.00 0.00 H new ATOM 0 HA ILE A 153 -2.932 -4.065 -7.924 1.00 0.00 H new ATOM 0 HB ILE A 153 0.072 -4.246 -7.439 1.00 0.00 H new ATOM 0 HG12 ILE A 153 -1.558 -2.843 -9.526 1.00 0.00 H new ATOM 0 HG13 ILE A 153 0.042 -2.462 -8.921 1.00 0.00 H new ATOM 0 HG21 ILE A 153 -0.068 -5.965 -9.202 1.00 0.00 H new ATOM 0 HG22 ILE A 153 -1.106 -6.383 -7.818 1.00 0.00 H new ATOM 0 HG23 ILE A 153 -1.828 -5.722 -9.304 1.00 0.00 H new ATOM 0 HD11 ILE A 153 0.161 -3.281 -11.259 1.00 0.00 H new ATOM 0 HD12 ILE A 153 0.989 -4.409 -10.160 1.00 0.00 H new ATOM 0 HD13 ILE A 153 -0.636 -4.797 -10.774 1.00 0.00 H new ATOM 2388 N ARG A 154 -3.120 -5.524 -5.873 1.00 0.00 N ATOM 2389 CA ARG A 154 -3.216 -6.339 -4.625 1.00 0.00 C ATOM 2390 C ARG A 154 -2.865 -7.791 -4.941 1.00 0.00 C ATOM 2391 O ARG A 154 -3.469 -8.411 -5.792 1.00 0.00 O ATOM 2392 CB ARG A 154 -4.646 -6.252 -4.094 1.00 0.00 C ATOM 2393 CG ARG A 154 -4.801 -7.106 -2.827 1.00 0.00 C ATOM 2394 CD ARG A 154 -6.270 -7.108 -2.383 1.00 0.00 C ATOM 2395 NE ARG A 154 -6.708 -5.712 -2.106 1.00 0.00 N ATOM 2396 CZ ARG A 154 -7.948 -5.471 -1.778 1.00 0.00 C ATOM 2397 NH1 ARG A 154 -8.804 -6.453 -1.687 1.00 0.00 N ATOM 2398 NH2 ARG A 154 -8.333 -4.247 -1.540 1.00 0.00 N ATOM 0 H ARG A 154 -3.870 -5.670 -6.548 1.00 0.00 H new ATOM 0 HA ARG A 154 -2.522 -5.962 -3.874 1.00 0.00 H new ATOM 0 HB2 ARG A 154 -4.896 -5.214 -3.873 1.00 0.00 H new ATOM 0 HB3 ARG A 154 -5.345 -6.593 -4.857 1.00 0.00 H new ATOM 0 HG2 ARG A 154 -4.468 -8.126 -3.021 1.00 0.00 H new ATOM 0 HG3 ARG A 154 -4.171 -6.711 -2.031 1.00 0.00 H new ATOM 0 HD2 ARG A 154 -6.895 -7.549 -3.160 1.00 0.00 H new ATOM 0 HD3 ARG A 154 -6.390 -7.722 -1.490 1.00 0.00 H new ATOM 0 HE ARG A 154 -6.039 -4.945 -2.173 1.00 0.00 H new ATOM 0 HH11 ARG A 154 -8.504 -7.410 -1.872 1.00 0.00 H new ATOM 0 HH12 ARG A 154 -9.773 -6.263 -1.431 1.00 0.00 H new ATOM 0 HH21 ARG A 154 -7.665 -3.479 -1.610 1.00 0.00 H new ATOM 0 HH22 ARG A 154 -9.302 -4.058 -1.284 1.00 0.00 H new ATOM 2412 N ILE A 155 -1.888 -8.332 -4.264 1.00 0.00 N ATOM 2413 CA ILE A 155 -1.480 -9.740 -4.523 1.00 0.00 C ATOM 2414 C ILE A 155 -1.737 -10.575 -3.270 1.00 0.00 C ATOM 2415 O ILE A 155 -1.312 -10.224 -2.187 1.00 0.00 O ATOM 2416 CB ILE A 155 0.011 -9.774 -4.857 1.00 0.00 C ATOM 2417 CG1 ILE A 155 0.422 -8.433 -5.469 1.00 0.00 C ATOM 2418 CG2 ILE A 155 0.268 -10.879 -5.876 1.00 0.00 C ATOM 2419 CD1 ILE A 155 1.902 -8.469 -5.845 1.00 0.00 C ATOM 0 H ILE A 155 -1.353 -7.855 -3.539 1.00 0.00 H new ATOM 0 HA ILE A 155 -2.053 -10.145 -5.357 1.00 0.00 H new ATOM 0 HB ILE A 155 0.586 -9.960 -3.950 1.00 0.00 H new ATOM 0 HG12 ILE A 155 -0.182 -8.225 -6.352 1.00 0.00 H new ATOM 0 HG13 ILE A 155 0.237 -7.627 -4.759 1.00 0.00 H new ATOM 0 HG21 ILE A 155 1.330 -10.910 -6.119 1.00 0.00 H new ATOM 0 HG22 ILE A 155 -0.036 -11.838 -5.457 1.00 0.00 H new ATOM 0 HG23 ILE A 155 -0.306 -10.680 -6.781 1.00 0.00 H new ATOM 0 HD11 ILE A 155 2.190 -7.512 -6.280 1.00 0.00 H new ATOM 0 HD12 ILE A 155 2.500 -8.656 -4.953 1.00 0.00 H new ATOM 0 HD13 ILE A 155 2.074 -9.264 -6.570 1.00 0.00 H new ATOM 2431 N PHE A 156 -2.422 -11.679 -3.406 1.00 0.00 N ATOM 2432 CA PHE A 156 -2.701 -12.536 -2.220 1.00 0.00 C ATOM 2433 C PHE A 156 -3.423 -13.805 -2.682 1.00 0.00 C ATOM 2434 O PHE A 156 -3.608 -14.034 -3.863 1.00 0.00 O ATOM 2435 CB PHE A 156 -3.591 -11.777 -1.232 1.00 0.00 C ATOM 2436 CG PHE A 156 -5.023 -11.826 -1.701 1.00 0.00 C ATOM 2437 CD1 PHE A 156 -5.370 -11.304 -2.953 1.00 0.00 C ATOM 2438 CD2 PHE A 156 -6.005 -12.396 -0.884 1.00 0.00 C ATOM 2439 CE1 PHE A 156 -6.700 -11.353 -3.386 1.00 0.00 C ATOM 2440 CE2 PHE A 156 -7.334 -12.444 -1.316 1.00 0.00 C ATOM 2441 CZ PHE A 156 -7.682 -11.922 -2.567 1.00 0.00 C ATOM 0 H PHE A 156 -2.800 -12.024 -4.288 1.00 0.00 H new ATOM 0 HA PHE A 156 -1.764 -12.799 -1.730 1.00 0.00 H new ATOM 0 HB2 PHE A 156 -3.508 -12.218 -0.239 1.00 0.00 H new ATOM 0 HB3 PHE A 156 -3.260 -10.742 -1.150 1.00 0.00 H new ATOM 0 HD1 PHE A 156 -4.612 -10.864 -3.584 1.00 0.00 H new ATOM 0 HD2 PHE A 156 -5.736 -12.799 0.081 1.00 0.00 H new ATOM 0 HE1 PHE A 156 -6.969 -10.952 -4.352 1.00 0.00 H new ATOM 0 HE2 PHE A 156 -8.092 -12.884 -0.684 1.00 0.00 H new ATOM 0 HZ PHE A 156 -8.709 -11.958 -2.901 1.00 0.00 H new TER 2451 PHE A 156 HETATM 2452 FE FE2 A 180 -6.149 -5.645 2.646 1.00 0.00 FE HETATM 2453 O HOH A 181 -6.738 -6.522 0.951 1.00 0.00 O HETATM 2456 O HOH A 182 -6.254 -3.861 1.751 1.00 0.00 O