USER MOD reduce.3.24.130724 H: found=0, std=0, add=700, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 700 hydrogens (8 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: B 203 SEP H2 : B 203 SEP N : B 202 ILE C :(H bumps) USER MOD NoAdj-H: B 205 SEP H2 : B 205 SEP N : B 204 ASP C :(H bumps) USER MOD NoAdj-H: B 205 SEP H : B 205 SEP N : B 204 ASP C :(H bumps) USER MOD Set 1.1: A 45 LYS NZ :NH3+ -158:sc= 1.19 (180deg=1.08) USER MOD Set 1.2: A 59 MET CE :methyl -179:sc= 0 (180deg=-0.00137) USER MOD Set 2.1: A 21 TYR OH : rot 30:sc= 0.247 USER MOD Set 2.2: A 39 LYS NZ :NH3+ -147:sc= 0.164 (180deg=-2.28!) USER MOD Single : A 23 LYS NZ :NH3+ -128:sc= 0.736 (180deg=-3.06!) USER MOD Single : A 25 LYS NZ :NH3+ 153:sc= 1.27 (180deg=1.19) USER MOD Single : A 29 GLN : amide:sc= -0.503 K(o=-0.5,f=-1.5!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -120:sc= 1.14 USER MOD Single : A 35 HIS : no HD1:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl 167:sc= -0.332 (180deg=-0.664) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot -69:sc= -0.0633 USER MOD Single : A 43 HIS : no HE2:sc= -1.22 K(o=-1.2,f=-5.7!) USER MOD Single : A 46 LYS NZ :NH3+ 158:sc= 1.25 (180deg=1.19) USER MOD Single : A 48 LYS NZ :NH3+ 157:sc= 1.91 (180deg=1.24) USER MOD Single : A 50 SER OG : rot 65:sc= 1.25 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 CYS SG : rot 52:sc= 0.797 USER MOD Single : A 53 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 55 GLN : amide:sc= -0.251 X(o=-0.25,f=-0.48) USER MOD Single : A 60 ASN : amide:sc= -0.295 X(o=-0.29,f=-0.019) USER MOD Single : A 61 SER OG : rot -123:sc= 1.25 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 HIS : no HD1:sc= 0.16 K(o=0.16,f=-6.4!) USER MOD Single : A 76 THR OG1 : rot 84:sc= 1.32 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= 0.767 K(o=0.77,f=0) USER MOD Single : A 94 GLN : amide:sc=-0.00718 K(o=-0.0072,f=-1.2) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.0853 USER MOD Single : B 196 THR OG1 : rot 180:sc= 0 USER MOD Single : B 199 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 21 13.393 -6.067 -0.432 1.00 10.00 N ATOM 2 CA TYR A 21 11.974 -5.856 -0.662 1.00 10.00 C ATOM 3 C TYR A 21 11.159 -6.236 0.571 1.00 10.00 C ATOM 4 O TYR A 21 11.378 -7.287 1.178 1.00 10.00 O ATOM 5 CB TYR A 21 11.497 -6.667 -1.867 1.00 10.00 C ATOM 6 CG TYR A 21 11.706 -5.973 -3.194 1.00 10.00 C ATOM 7 CD1 TYR A 21 10.690 -5.219 -3.771 1.00 10.00 C ATOM 8 CD2 TYR A 21 12.912 -6.075 -3.874 1.00 10.00 C ATOM 9 CE1 TYR A 21 10.872 -4.586 -4.984 1.00 10.00 C ATOM 10 CE2 TYR A 21 13.102 -5.444 -5.087 1.00 10.00 C ATOM 11 CZ TYR A 21 12.078 -4.701 -5.639 1.00 10.00 C ATOM 12 OH TYR A 21 12.265 -4.073 -6.851 1.00 10.00 O ATOM 0 HA TYR A 21 11.824 -4.796 -0.866 1.00 10.00 H new ATOM 0 HB2 TYR A 21 12.022 -7.622 -1.881 1.00 10.00 H new ATOM 0 HB3 TYR A 21 10.436 -6.888 -1.747 1.00 10.00 H new ATOM 0 HD1 TYR A 21 9.742 -5.127 -3.261 1.00 10.00 H new ATOM 0 HD2 TYR A 21 13.715 -6.658 -3.447 1.00 10.00 H new ATOM 0 HE1 TYR A 21 10.073 -4.003 -5.417 1.00 10.00 H new ATOM 0 HE2 TYR A 21 14.047 -5.531 -5.602 1.00 10.00 H new ATOM 0 HH TYR A 21 11.717 -3.261 -6.887 1.00 10.00 H new ATOM 22 N ILE A 22 10.232 -5.365 0.935 1.00 10.00 N ATOM 23 CA ILE A 22 9.367 -5.594 2.081 1.00 10.00 C ATOM 24 C ILE A 22 7.997 -6.032 1.589 1.00 10.00 C ATOM 25 O ILE A 22 7.319 -5.287 0.877 1.00 10.00 O ATOM 26 CB ILE A 22 9.208 -4.328 2.954 1.00 10.00 C ATOM 27 CG1 ILE A 22 10.540 -3.575 3.083 1.00 10.00 C ATOM 28 CG2 ILE A 22 8.668 -4.700 4.332 1.00 10.00 C ATOM 29 CD1 ILE A 22 11.583 -4.300 3.904 1.00 10.00 C ATOM 0 H ILE A 22 10.058 -4.485 0.449 1.00 10.00 H new ATOM 0 HA ILE A 22 9.827 -6.368 2.696 1.00 10.00 H new ATOM 0 HB ILE A 22 8.494 -3.665 2.465 1.00 10.00 H new ATOM 0 HG12 ILE A 22 10.940 -3.393 2.086 1.00 10.00 H new ATOM 0 HG13 ILE A 22 10.352 -2.600 3.533 1.00 10.00 H new ATOM 0 HG21 ILE A 22 8.561 -3.799 4.936 1.00 10.00 H new ATOM 0 HG22 ILE A 22 7.696 -5.182 4.224 1.00 10.00 H new ATOM 0 HG23 ILE A 22 9.360 -5.385 4.821 1.00 10.00 H new ATOM 0 HD11 ILE A 22 12.493 -3.702 3.946 1.00 10.00 H new ATOM 0 HD12 ILE A 22 11.205 -4.458 4.914 1.00 10.00 H new ATOM 0 HD13 ILE A 22 11.803 -5.263 3.444 1.00 10.00 H new ATOM 41 N LYS A 23 7.592 -7.232 1.962 1.00 10.00 N ATOM 42 CA LYS A 23 6.313 -7.772 1.529 1.00 10.00 C ATOM 43 C LYS A 23 5.229 -7.507 2.570 1.00 10.00 C ATOM 44 O LYS A 23 5.243 -8.083 3.659 1.00 10.00 O ATOM 45 CB LYS A 23 6.448 -9.271 1.272 1.00 10.00 C ATOM 46 CG LYS A 23 5.572 -9.785 0.139 1.00 10.00 C ATOM 47 CD LYS A 23 5.928 -11.217 -0.243 1.00 10.00 C ATOM 48 CE LYS A 23 5.382 -12.226 0.761 1.00 10.00 C ATOM 49 NZ LYS A 23 6.226 -12.327 1.985 1.00 10.00 N ATOM 0 H LYS A 23 8.130 -7.854 2.565 1.00 10.00 H new ATOM 0 HA LYS A 23 6.020 -7.274 0.605 1.00 10.00 H new ATOM 0 HB2 LYS A 23 7.489 -9.498 1.044 1.00 10.00 H new ATOM 0 HB3 LYS A 23 6.197 -9.810 2.185 1.00 10.00 H new ATOM 0 HG2 LYS A 23 4.525 -9.738 0.438 1.00 10.00 H new ATOM 0 HG3 LYS A 23 5.685 -9.138 -0.731 1.00 10.00 H new ATOM 0 HD2 LYS A 23 5.530 -11.438 -1.233 1.00 10.00 H new ATOM 0 HD3 LYS A 23 7.012 -11.317 -0.306 1.00 10.00 H new ATOM 0 HE2 LYS A 23 4.369 -11.940 1.045 1.00 10.00 H new ATOM 0 HE3 LYS A 23 5.316 -13.206 0.287 1.00 10.00 H new ATOM 0 HZ1 LYS A 23 6.464 -13.324 2.161 1.00 10.00 H new ATOM 0 HZ2 LYS A 23 7.101 -11.781 1.850 1.00 10.00 H new ATOM 0 HZ3 LYS A 23 5.703 -11.947 2.800 1.00 10.00 H new ATOM 63 N LEU A 24 4.292 -6.638 2.224 1.00 10.00 N ATOM 64 CA LEU A 24 3.194 -6.285 3.114 1.00 10.00 C ATOM 65 C LEU A 24 1.917 -7.000 2.682 1.00 10.00 C ATOM 66 O LEU A 24 1.668 -7.171 1.484 1.00 10.00 O ATOM 67 CB LEU A 24 2.964 -4.772 3.098 1.00 10.00 C ATOM 68 CG LEU A 24 4.230 -3.912 3.148 1.00 10.00 C ATOM 69 CD1 LEU A 24 3.907 -2.469 2.788 1.00 10.00 C ATOM 70 CD2 LEU A 24 4.876 -3.986 4.523 1.00 10.00 C ATOM 0 H LEU A 24 4.270 -6.159 1.324 1.00 10.00 H new ATOM 0 HA LEU A 24 3.455 -6.596 4.126 1.00 10.00 H new ATOM 0 HB2 LEU A 24 2.407 -4.516 2.196 1.00 10.00 H new ATOM 0 HB3 LEU A 24 2.333 -4.509 3.947 1.00 10.00 H new ATOM 0 HG LEU A 24 4.938 -4.301 2.416 1.00 10.00 H new ATOM 0 HD11 LEU A 24 4.818 -1.871 2.828 1.00 10.00 H new ATOM 0 HD12 LEU A 24 3.491 -2.429 1.781 1.00 10.00 H new ATOM 0 HD13 LEU A 24 3.180 -2.071 3.496 1.00 10.00 H new ATOM 0 HD21 LEU A 24 5.774 -3.368 4.537 1.00 10.00 H new ATOM 0 HD22 LEU A 24 4.174 -3.624 5.275 1.00 10.00 H new ATOM 0 HD23 LEU A 24 5.143 -5.019 4.744 1.00 10.00 H new ATOM 82 N LYS A 25 1.114 -7.415 3.649 1.00 10.00 N ATOM 83 CA LYS A 25 -0.132 -8.104 3.353 1.00 10.00 C ATOM 84 C LYS A 25 -1.296 -7.126 3.352 1.00 10.00 C ATOM 85 O LYS A 25 -1.704 -6.624 4.403 1.00 10.00 O ATOM 86 CB LYS A 25 -0.395 -9.221 4.367 1.00 10.00 C ATOM 87 CG LYS A 25 0.667 -10.307 4.369 1.00 10.00 C ATOM 88 CD LYS A 25 0.167 -11.582 5.028 1.00 10.00 C ATOM 89 CE LYS A 25 -0.817 -12.326 4.137 1.00 10.00 C ATOM 90 NZ LYS A 25 -1.179 -13.656 4.690 1.00 10.00 N ATOM 0 H LYS A 25 1.302 -7.287 4.643 1.00 10.00 H new ATOM 0 HA LYS A 25 -0.040 -8.548 2.362 1.00 10.00 H new ATOM 0 HB2 LYS A 25 -0.459 -8.786 5.364 1.00 10.00 H new ATOM 0 HB3 LYS A 25 -1.364 -9.673 4.153 1.00 10.00 H new ATOM 0 HG2 LYS A 25 0.970 -10.522 3.344 1.00 10.00 H new ATOM 0 HG3 LYS A 25 1.552 -9.949 4.894 1.00 10.00 H new ATOM 0 HD2 LYS A 25 1.013 -12.230 5.256 1.00 10.00 H new ATOM 0 HD3 LYS A 25 -0.313 -11.338 5.976 1.00 10.00 H new ATOM 0 HE2 LYS A 25 -1.719 -11.727 4.016 1.00 10.00 H new ATOM 0 HE3 LYS A 25 -0.383 -12.453 3.145 1.00 10.00 H new ATOM 0 HZ1 LYS A 25 -2.126 -13.925 4.355 1.00 10.00 H new ATOM 0 HZ2 LYS A 25 -0.486 -14.364 4.373 1.00 10.00 H new ATOM 0 HZ3 LYS A 25 -1.179 -13.612 5.729 1.00 10.00 H new ATOM 104 N VAL A 26 -1.813 -6.847 2.168 1.00 10.00 N ATOM 105 CA VAL A 26 -2.938 -5.938 2.020 1.00 10.00 C ATOM 106 C VAL A 26 -4.233 -6.735 1.960 1.00 10.00 C ATOM 107 O VAL A 26 -4.465 -7.488 1.012 1.00 10.00 O ATOM 108 CB VAL A 26 -2.813 -5.074 0.747 1.00 10.00 C ATOM 109 CG1 VAL A 26 -3.844 -3.956 0.750 1.00 10.00 C ATOM 110 CG2 VAL A 26 -1.406 -4.506 0.613 1.00 10.00 C ATOM 0 H VAL A 26 -1.470 -7.239 1.291 1.00 10.00 H new ATOM 0 HA VAL A 26 -2.942 -5.271 2.882 1.00 10.00 H new ATOM 0 HB VAL A 26 -3.005 -5.713 -0.115 1.00 10.00 H new ATOM 0 HG11 VAL A 26 -3.737 -3.360 -0.156 1.00 10.00 H new ATOM 0 HG12 VAL A 26 -4.845 -4.385 0.787 1.00 10.00 H new ATOM 0 HG13 VAL A 26 -3.689 -3.321 1.622 1.00 10.00 H new ATOM 0 HG21 VAL A 26 -1.343 -3.901 -0.291 1.00 10.00 H new ATOM 0 HG22 VAL A 26 -1.180 -3.886 1.481 1.00 10.00 H new ATOM 0 HG23 VAL A 26 -0.688 -5.324 0.554 1.00 10.00 H new ATOM 120 N ILE A 27 -5.063 -6.584 2.980 1.00 10.00 N ATOM 121 CA ILE A 27 -6.328 -7.302 3.038 1.00 10.00 C ATOM 122 C ILE A 27 -7.476 -6.418 2.565 1.00 10.00 C ATOM 123 O ILE A 27 -7.725 -5.350 3.127 1.00 10.00 O ATOM 124 CB ILE A 27 -6.627 -7.807 4.467 1.00 10.00 C ATOM 125 CG1 ILE A 27 -5.438 -8.604 5.016 1.00 10.00 C ATOM 126 CG2 ILE A 27 -7.893 -8.655 4.483 1.00 10.00 C ATOM 127 CD1 ILE A 27 -5.062 -9.815 4.181 1.00 10.00 C ATOM 0 H ILE A 27 -4.885 -5.973 3.777 1.00 10.00 H new ATOM 0 HA ILE A 27 -6.238 -8.163 2.375 1.00 10.00 H new ATOM 0 HB ILE A 27 -6.787 -6.941 5.110 1.00 10.00 H new ATOM 0 HG12 ILE A 27 -4.574 -7.943 5.087 1.00 10.00 H new ATOM 0 HG13 ILE A 27 -5.672 -8.933 6.028 1.00 10.00 H new ATOM 0 HG21 ILE A 27 -8.086 -9.001 5.498 1.00 10.00 H new ATOM 0 HG22 ILE A 27 -8.736 -8.057 4.137 1.00 10.00 H new ATOM 0 HG23 ILE A 27 -7.764 -9.514 3.825 1.00 10.00 H new ATOM 0 HD11 ILE A 27 -4.213 -10.323 4.638 1.00 10.00 H new ATOM 0 HD12 ILE A 27 -5.909 -10.499 4.130 1.00 10.00 H new ATOM 0 HD13 ILE A 27 -4.794 -9.494 3.174 1.00 10.00 H new ATOM 139 N GLY A 28 -8.158 -6.859 1.518 1.00 10.00 N ATOM 140 CA GLY A 28 -9.278 -6.107 0.991 1.00 10.00 C ATOM 141 C GLY A 28 -10.575 -6.462 1.690 1.00 10.00 C ATOM 142 O GLY A 28 -10.620 -7.409 2.480 1.00 10.00 O ATOM 0 H GLY A 28 -7.955 -7.727 1.023 1.00 10.00 H new ATOM 0 HA2 GLY A 28 -9.085 -5.040 1.104 1.00 10.00 H new ATOM 0 HA3 GLY A 28 -9.376 -6.302 -0.077 1.00 10.00 H new ATOM 146 N GLN A 29 -11.636 -5.721 1.395 1.00 10.00 N ATOM 147 CA GLN A 29 -12.940 -5.968 2.008 1.00 10.00 C ATOM 148 C GLN A 29 -13.499 -7.318 1.561 1.00 10.00 C ATOM 149 O GLN A 29 -14.310 -7.936 2.260 1.00 10.00 O ATOM 150 CB GLN A 29 -13.916 -4.845 1.653 1.00 10.00 C ATOM 151 CG GLN A 29 -15.255 -4.952 2.364 1.00 10.00 C ATOM 152 CD GLN A 29 -15.125 -4.900 3.875 1.00 10.00 C ATOM 153 OE1 GLN A 29 -15.177 -3.828 4.475 1.00 10.00 O ATOM 154 NE2 GLN A 29 -14.961 -6.055 4.501 1.00 10.00 N ATOM 0 H GLN A 29 -11.621 -4.943 0.735 1.00 10.00 H new ATOM 0 HA GLN A 29 -12.812 -5.990 3.090 1.00 10.00 H new ATOM 0 HB2 GLN A 29 -13.459 -3.887 1.900 1.00 10.00 H new ATOM 0 HB3 GLN A 29 -14.085 -4.849 0.576 1.00 10.00 H new ATOM 0 HG2 GLN A 29 -15.903 -4.141 2.032 1.00 10.00 H new ATOM 0 HG3 GLN A 29 -15.740 -5.885 2.078 1.00 10.00 H new ATOM 0 HE21 GLN A 29 -14.923 -6.923 3.967 1.00 10.00 H new ATOM 0 HE22 GLN A 29 -14.873 -6.076 5.517 1.00 10.00 H new ATOM 163 N ASP A 30 -13.050 -7.778 0.402 1.00 10.00 N ATOM 164 CA ASP A 30 -13.490 -9.059 -0.141 1.00 10.00 C ATOM 165 C ASP A 30 -12.665 -10.200 0.442 1.00 10.00 C ATOM 166 O ASP A 30 -12.770 -11.344 -0.002 1.00 10.00 O ATOM 167 CB ASP A 30 -13.372 -9.062 -1.667 1.00 10.00 C ATOM 168 CG ASP A 30 -11.934 -9.012 -2.137 1.00 10.00 C ATOM 169 OD1 ASP A 30 -11.218 -8.058 -1.766 1.00 10.00 O ATOM 170 OD2 ASP A 30 -11.512 -9.923 -2.876 1.00 10.00 O ATOM 0 H ASP A 30 -12.378 -7.282 -0.184 1.00 10.00 H new ATOM 0 HA ASP A 30 -14.535 -9.203 0.134 1.00 10.00 H new ATOM 0 HB2 ASP A 30 -13.850 -9.958 -2.063 1.00 10.00 H new ATOM 0 HB3 ASP A 30 -13.913 -8.207 -2.072 1.00 10.00 H new ATOM 175 N SER A 31 -11.844 -9.868 1.440 1.00 10.00 N ATOM 176 CA SER A 31 -10.990 -10.840 2.119 1.00 10.00 C ATOM 177 C SER A 31 -9.932 -11.406 1.170 1.00 10.00 C ATOM 178 O SER A 31 -9.691 -12.612 1.125 1.00 10.00 O ATOM 179 CB SER A 31 -11.839 -11.961 2.727 1.00 10.00 C ATOM 180 OG SER A 31 -12.845 -11.426 3.580 1.00 10.00 O ATOM 0 H SER A 31 -11.754 -8.918 1.799 1.00 10.00 H new ATOM 0 HA SER A 31 -10.466 -10.328 2.926 1.00 10.00 H new ATOM 0 HB2 SER A 31 -12.303 -12.545 1.932 1.00 10.00 H new ATOM 0 HB3 SER A 31 -11.201 -12.641 3.291 1.00 10.00 H new ATOM 0 HG SER A 31 -13.377 -12.157 3.957 1.00 10.00 H new ATOM 186 N SER A 32 -9.304 -10.521 0.413 1.00 10.00 N ATOM 187 CA SER A 32 -8.268 -10.914 -0.528 1.00 10.00 C ATOM 188 C SER A 32 -6.890 -10.708 0.083 1.00 10.00 C ATOM 189 O SER A 32 -6.661 -9.732 0.801 1.00 10.00 O ATOM 190 CB SER A 32 -8.394 -10.085 -1.806 1.00 10.00 C ATOM 191 OG SER A 32 -8.735 -8.742 -1.501 1.00 10.00 O ATOM 0 H SER A 32 -9.495 -9.519 0.433 1.00 10.00 H new ATOM 0 HA SER A 32 -8.391 -11.971 -0.765 1.00 10.00 H new ATOM 0 HB2 SER A 32 -7.453 -10.111 -2.356 1.00 10.00 H new ATOM 0 HB3 SER A 32 -9.154 -10.520 -2.454 1.00 10.00 H new ATOM 0 HG SER A 32 -9.588 -8.516 -1.928 1.00 10.00 H new ATOM 197 N GLU A 33 -5.983 -11.633 -0.182 1.00 10.00 N ATOM 198 CA GLU A 33 -4.624 -11.532 0.323 1.00 10.00 C ATOM 199 C GLU A 33 -3.704 -11.007 -0.770 1.00 10.00 C ATOM 200 O GLU A 33 -3.176 -11.776 -1.572 1.00 10.00 O ATOM 201 CB GLU A 33 -4.125 -12.889 0.814 1.00 10.00 C ATOM 202 CG GLU A 33 -4.836 -13.392 2.059 1.00 10.00 C ATOM 203 CD GLU A 33 -4.258 -14.695 2.570 1.00 10.00 C ATOM 204 OE1 GLU A 33 -3.328 -14.652 3.401 1.00 10.00 O ATOM 205 OE2 GLU A 33 -4.735 -15.769 2.143 1.00 10.00 O ATOM 0 H GLU A 33 -6.164 -12.464 -0.745 1.00 10.00 H new ATOM 0 HA GLU A 33 -4.620 -10.839 1.164 1.00 10.00 H new ATOM 0 HB2 GLU A 33 -4.249 -13.621 0.016 1.00 10.00 H new ATOM 0 HB3 GLU A 33 -3.057 -12.820 1.020 1.00 10.00 H new ATOM 0 HG2 GLU A 33 -4.769 -12.637 2.842 1.00 10.00 H new ATOM 0 HG3 GLU A 33 -5.895 -13.529 1.838 1.00 10.00 H new ATOM 212 N ILE A 34 -3.534 -9.695 -0.816 1.00 10.00 N ATOM 213 CA ILE A 34 -2.678 -9.083 -1.817 1.00 10.00 C ATOM 214 C ILE A 34 -1.273 -8.894 -1.264 1.00 10.00 C ATOM 215 O ILE A 34 -1.085 -8.247 -0.232 1.00 10.00 O ATOM 216 CB ILE A 34 -3.230 -7.716 -2.292 1.00 10.00 C ATOM 217 CG1 ILE A 34 -4.728 -7.815 -2.619 1.00 10.00 C ATOM 218 CG2 ILE A 34 -2.449 -7.217 -3.501 1.00 10.00 C ATOM 219 CD1 ILE A 34 -5.051 -8.814 -3.712 1.00 10.00 C ATOM 0 H ILE A 34 -3.976 -9.037 -0.174 1.00 10.00 H new ATOM 0 HA ILE A 34 -2.652 -9.756 -2.674 1.00 10.00 H new ATOM 0 HB ILE A 34 -3.107 -6.998 -1.481 1.00 10.00 H new ATOM 0 HG12 ILE A 34 -5.270 -8.092 -1.715 1.00 10.00 H new ATOM 0 HG13 ILE A 34 -5.090 -6.832 -2.920 1.00 10.00 H new ATOM 0 HG21 ILE A 34 -2.850 -6.256 -3.822 1.00 10.00 H new ATOM 0 HG22 ILE A 34 -1.399 -7.101 -3.233 1.00 10.00 H new ATOM 0 HG23 ILE A 34 -2.539 -7.937 -4.314 1.00 10.00 H new ATOM 0 HD11 ILE A 34 -6.127 -8.827 -3.886 1.00 10.00 H new ATOM 0 HD12 ILE A 34 -4.538 -8.527 -4.630 1.00 10.00 H new ATOM 0 HD13 ILE A 34 -4.721 -9.807 -3.407 1.00 10.00 H new ATOM 231 N HIS A 35 -0.296 -9.471 -1.943 1.00 10.00 N ATOM 232 CA HIS A 35 1.091 -9.357 -1.521 1.00 10.00 C ATOM 233 C HIS A 35 1.747 -8.158 -2.191 1.00 10.00 C ATOM 234 O HIS A 35 2.075 -8.191 -3.381 1.00 10.00 O ATOM 235 CB HIS A 35 1.874 -10.627 -1.852 1.00 10.00 C ATOM 236 CG HIS A 35 1.470 -11.823 -1.050 1.00 10.00 C ATOM 237 ND1 HIS A 35 1.159 -13.016 -1.657 1.00 10.00 N ATOM 238 CD2 HIS A 35 1.355 -11.967 0.293 1.00 10.00 C ATOM 239 CE1 HIS A 35 0.865 -13.855 -0.680 1.00 10.00 C ATOM 240 NE2 HIS A 35 0.970 -13.264 0.516 1.00 10.00 N ATOM 0 H HIS A 35 -0.437 -10.023 -2.789 1.00 10.00 H new ATOM 0 HA HIS A 35 1.103 -9.218 -0.440 1.00 10.00 H new ATOM 0 HB2 HIS A 35 1.746 -10.853 -2.911 1.00 10.00 H new ATOM 0 HB3 HIS A 35 2.936 -10.438 -1.692 1.00 10.00 H new ATOM 0 HD2 HIS A 35 1.532 -11.208 1.041 1.00 10.00 H new ATOM 0 HE1 HIS A 35 0.577 -14.885 -0.827 1.00 10.00 H new ATOM 0 HE2 HIS A 35 0.796 -13.697 1.423 1.00 10.00 H new ATOM 248 N PHE A 36 1.925 -7.102 -1.423 1.00 10.00 N ATOM 249 CA PHE A 36 2.527 -5.883 -1.925 1.00 10.00 C ATOM 250 C PHE A 36 3.985 -5.808 -1.501 1.00 10.00 C ATOM 251 O PHE A 36 4.285 -5.726 -0.313 1.00 10.00 O ATOM 252 CB PHE A 36 1.752 -4.682 -1.385 1.00 10.00 C ATOM 253 CG PHE A 36 1.646 -3.538 -2.343 1.00 10.00 C ATOM 254 CD1 PHE A 36 2.742 -3.122 -3.073 1.00 10.00 C ATOM 255 CD2 PHE A 36 0.441 -2.876 -2.510 1.00 10.00 C ATOM 256 CE1 PHE A 36 2.641 -2.067 -3.951 1.00 10.00 C ATOM 257 CE2 PHE A 36 0.335 -1.819 -3.389 1.00 10.00 C ATOM 258 CZ PHE A 36 1.435 -1.411 -4.111 1.00 10.00 C ATOM 0 H PHE A 36 1.658 -7.064 -0.439 1.00 10.00 H new ATOM 0 HA PHE A 36 2.486 -5.877 -3.014 1.00 10.00 H new ATOM 0 HB2 PHE A 36 0.748 -5.006 -1.111 1.00 10.00 H new ATOM 0 HB3 PHE A 36 2.235 -4.333 -0.472 1.00 10.00 H new ATOM 0 HD1 PHE A 36 3.688 -3.630 -2.954 1.00 10.00 H new ATOM 0 HD2 PHE A 36 -0.424 -3.191 -1.946 1.00 10.00 H new ATOM 0 HE1 PHE A 36 3.506 -1.751 -4.516 1.00 10.00 H new ATOM 0 HE2 PHE A 36 -0.610 -1.311 -3.511 1.00 10.00 H new ATOM 0 HZ PHE A 36 1.355 -0.582 -4.799 1.00 10.00 H new ATOM 268 N LYS A 37 4.896 -5.842 -2.462 1.00 10.00 N ATOM 269 CA LYS A 37 6.312 -5.785 -2.140 1.00 10.00 C ATOM 270 C LYS A 37 6.926 -4.452 -2.549 1.00 10.00 C ATOM 271 O LYS A 37 6.995 -4.108 -3.731 1.00 10.00 O ATOM 272 CB LYS A 37 7.075 -6.960 -2.766 1.00 10.00 C ATOM 273 CG LYS A 37 6.814 -7.177 -4.249 1.00 10.00 C ATOM 274 CD LYS A 37 7.336 -8.530 -4.718 1.00 10.00 C ATOM 275 CE LYS A 37 8.800 -8.731 -4.350 1.00 10.00 C ATOM 276 NZ LYS A 37 9.257 -10.119 -4.625 1.00 10.00 N ATOM 0 H LYS A 37 4.684 -5.908 -3.457 1.00 10.00 H new ATOM 0 HA LYS A 37 6.401 -5.869 -1.057 1.00 10.00 H new ATOM 0 HB2 LYS A 37 8.143 -6.800 -2.620 1.00 10.00 H new ATOM 0 HB3 LYS A 37 6.813 -7.872 -2.229 1.00 10.00 H new ATOM 0 HG2 LYS A 37 5.744 -7.112 -4.444 1.00 10.00 H new ATOM 0 HG3 LYS A 37 7.292 -6.383 -4.823 1.00 10.00 H new ATOM 0 HD2 LYS A 37 6.737 -9.325 -4.273 1.00 10.00 H new ATOM 0 HD3 LYS A 37 7.219 -8.610 -5.799 1.00 10.00 H new ATOM 0 HE2 LYS A 37 9.415 -8.028 -4.912 1.00 10.00 H new ATOM 0 HE3 LYS A 37 8.943 -8.505 -3.293 1.00 10.00 H new ATOM 0 HZ1 LYS A 37 10.258 -10.214 -4.361 1.00 10.00 H new ATOM 0 HZ2 LYS A 37 8.687 -10.789 -4.069 1.00 10.00 H new ATOM 0 HZ3 LYS A 37 9.145 -10.327 -5.638 1.00 10.00 H new ATOM 290 N VAL A 38 7.358 -3.701 -1.547 1.00 10.00 N ATOM 291 CA VAL A 38 7.972 -2.401 -1.764 1.00 10.00 C ATOM 292 C VAL A 38 9.486 -2.513 -1.597 1.00 10.00 C ATOM 293 O VAL A 38 9.986 -3.544 -1.149 1.00 10.00 O ATOM 294 CB VAL A 38 7.417 -1.343 -0.779 1.00 10.00 C ATOM 295 CG1 VAL A 38 5.904 -1.448 -0.674 1.00 10.00 C ATOM 296 CG2 VAL A 38 8.054 -1.482 0.599 1.00 10.00 C ATOM 0 H VAL A 38 7.293 -3.974 -0.566 1.00 10.00 H new ATOM 0 HA VAL A 38 7.733 -2.079 -2.778 1.00 10.00 H new ATOM 0 HB VAL A 38 7.672 -0.359 -1.172 1.00 10.00 H new ATOM 0 HG11 VAL A 38 5.535 -0.696 0.023 1.00 10.00 H new ATOM 0 HG12 VAL A 38 5.459 -1.283 -1.655 1.00 10.00 H new ATOM 0 HG13 VAL A 38 5.632 -2.440 -0.314 1.00 10.00 H new ATOM 0 HG21 VAL A 38 7.644 -0.725 1.268 1.00 10.00 H new ATOM 0 HG22 VAL A 38 7.842 -2.473 0.999 1.00 10.00 H new ATOM 0 HG23 VAL A 38 9.132 -1.347 0.517 1.00 10.00 H new ATOM 306 N LYS A 39 10.211 -1.463 -1.944 1.00 10.00 N ATOM 307 CA LYS A 39 11.661 -1.478 -1.821 1.00 10.00 C ATOM 308 C LYS A 39 12.147 -0.220 -1.115 1.00 10.00 C ATOM 309 O LYS A 39 11.555 0.850 -1.272 1.00 10.00 O ATOM 310 CB LYS A 39 12.309 -1.602 -3.204 1.00 10.00 C ATOM 311 CG LYS A 39 13.824 -1.746 -3.164 1.00 10.00 C ATOM 312 CD LYS A 39 14.380 -2.241 -4.490 1.00 10.00 C ATOM 313 CE LYS A 39 14.030 -1.306 -5.634 1.00 10.00 C ATOM 314 NZ LYS A 39 14.318 -1.917 -6.958 1.00 10.00 N ATOM 0 H LYS A 39 9.824 -0.594 -2.311 1.00 10.00 H new ATOM 0 HA LYS A 39 11.952 -2.342 -1.223 1.00 10.00 H new ATOM 0 HB2 LYS A 39 11.885 -2.465 -3.717 1.00 10.00 H new ATOM 0 HB3 LYS A 39 12.053 -0.723 -3.795 1.00 10.00 H new ATOM 0 HG2 LYS A 39 14.274 -0.784 -2.918 1.00 10.00 H new ATOM 0 HG3 LYS A 39 14.102 -2.441 -2.371 1.00 10.00 H new ATOM 0 HD2 LYS A 39 15.463 -2.336 -4.417 1.00 10.00 H new ATOM 0 HD3 LYS A 39 13.986 -3.235 -4.700 1.00 10.00 H new ATOM 0 HE2 LYS A 39 12.974 -1.043 -5.578 1.00 10.00 H new ATOM 0 HE3 LYS A 39 14.595 -0.379 -5.531 1.00 10.00 H new ATOM 0 HZ1 LYS A 39 14.611 -1.176 -7.626 1.00 10.00 H new ATOM 0 HZ2 LYS A 39 15.082 -2.616 -6.859 1.00 10.00 H new ATOM 0 HZ3 LYS A 39 13.463 -2.388 -7.316 1.00 10.00 H new ATOM 328 N MET A 40 13.218 -0.353 -0.335 1.00 10.00 N ATOM 329 CA MET A 40 13.785 0.772 0.400 1.00 10.00 C ATOM 330 C MET A 40 14.446 1.759 -0.557 1.00 10.00 C ATOM 331 O MET A 40 15.662 1.740 -0.752 1.00 10.00 O ATOM 332 CB MET A 40 14.792 0.278 1.443 1.00 10.00 C ATOM 333 CG MET A 40 15.095 1.294 2.537 1.00 10.00 C ATOM 334 SD MET A 40 13.600 1.959 3.309 1.00 10.00 S ATOM 335 CE MET A 40 12.745 0.453 3.774 1.00 10.00 C ATOM 0 H MET A 40 13.712 -1.235 -0.196 1.00 10.00 H new ATOM 0 HA MET A 40 12.976 1.287 0.919 1.00 10.00 H new ATOM 0 HB2 MET A 40 14.407 -0.632 1.903 1.00 10.00 H new ATOM 0 HB3 MET A 40 15.722 0.013 0.939 1.00 10.00 H new ATOM 0 HG2 MET A 40 15.715 0.825 3.301 1.00 10.00 H new ATOM 0 HG3 MET A 40 15.676 2.114 2.114 1.00 10.00 H new ATOM 0 HE1 MET A 40 11.930 0.693 4.457 1.00 10.00 H new ATOM 0 HE2 MET A 40 12.341 -0.026 2.882 1.00 10.00 H new ATOM 0 HE3 MET A 40 13.443 -0.225 4.266 1.00 10.00 H new ATOM 345 N THR A 41 13.614 2.602 -1.152 1.00 10.00 N ATOM 346 CA THR A 41 14.039 3.611 -2.110 1.00 10.00 C ATOM 347 C THR A 41 12.809 4.191 -2.797 1.00 10.00 C ATOM 348 O THR A 41 12.789 5.355 -3.202 1.00 10.00 O ATOM 349 CB THR A 41 14.993 3.029 -3.188 1.00 10.00 C ATOM 350 OG1 THR A 41 15.645 4.089 -3.901 1.00 10.00 O ATOM 351 CG2 THR A 41 14.237 2.140 -4.171 1.00 10.00 C ATOM 0 H THR A 41 12.609 2.604 -0.979 1.00 10.00 H new ATOM 0 HA THR A 41 14.583 4.382 -1.564 1.00 10.00 H new ATOM 0 HB THR A 41 15.741 2.422 -2.678 1.00 10.00 H new ATOM 0 HG1 THR A 41 16.245 3.709 -4.576 1.00 10.00 H new ATOM 0 HG21 THR A 41 14.931 1.747 -4.914 1.00 10.00 H new ATOM 0 HG22 THR A 41 13.775 1.313 -3.632 1.00 10.00 H new ATOM 0 HG23 THR A 41 13.464 2.725 -4.670 1.00 10.00 H new ATOM 359 N THR A 42 11.774 3.369 -2.895 1.00 10.00 N ATOM 360 CA THR A 42 10.544 3.764 -3.545 1.00 10.00 C ATOM 361 C THR A 42 9.733 4.685 -2.638 1.00 10.00 C ATOM 362 O THR A 42 9.514 4.360 -1.467 1.00 10.00 O ATOM 363 CB THR A 42 9.690 2.519 -3.914 1.00 10.00 C ATOM 364 OG1 THR A 42 9.131 1.938 -2.726 1.00 10.00 O ATOM 365 CG2 THR A 42 10.533 1.464 -4.614 1.00 10.00 C ATOM 0 H THR A 42 11.768 2.418 -2.527 1.00 10.00 H new ATOM 0 HA THR A 42 10.805 4.297 -4.459 1.00 10.00 H new ATOM 0 HB THR A 42 8.897 2.849 -4.585 1.00 10.00 H new ATOM 0 HG1 THR A 42 9.847 1.538 -2.189 1.00 10.00 H new ATOM 0 HG21 THR A 42 9.909 0.605 -4.860 1.00 10.00 H new ATOM 0 HG22 THR A 42 10.953 1.882 -5.529 1.00 10.00 H new ATOM 0 HG23 THR A 42 11.342 1.148 -3.955 1.00 10.00 H new ATOM 373 N HIS A 43 9.303 5.831 -3.153 1.00 10.00 N ATOM 374 CA HIS A 43 8.501 6.743 -2.351 1.00 10.00 C ATOM 375 C HIS A 43 7.100 6.157 -2.255 1.00 10.00 C ATOM 376 O HIS A 43 6.574 5.657 -3.251 1.00 10.00 O ATOM 377 CB HIS A 43 8.403 8.167 -2.946 1.00 10.00 C ATOM 378 CG HIS A 43 9.602 8.686 -3.699 1.00 10.00 C ATOM 379 ND1 HIS A 43 9.437 9.621 -4.697 1.00 10.00 N ATOM 380 CD2 HIS A 43 10.931 8.406 -3.585 1.00 10.00 C ATOM 381 CE1 HIS A 43 10.642 9.882 -5.158 1.00 10.00 C ATOM 382 NE2 HIS A 43 11.572 9.177 -4.512 1.00 10.00 N ATOM 0 H HIS A 43 9.492 6.146 -4.105 1.00 10.00 H new ATOM 0 HA HIS A 43 8.983 6.844 -1.379 1.00 10.00 H new ATOM 0 HB2 HIS A 43 7.545 8.193 -3.618 1.00 10.00 H new ATOM 0 HB3 HIS A 43 8.191 8.859 -2.131 1.00 10.00 H new ATOM 0 HD1 HIS A 43 8.558 10.029 -5.015 1.00 10.00 H new ATOM 0 HD2 HIS A 43 11.388 7.711 -2.896 1.00 10.00 H new ATOM 0 HE1 HIS A 43 10.851 10.578 -5.957 1.00 10.00 H new ATOM 390 N LEU A 44 6.479 6.225 -1.080 1.00 10.00 N ATOM 391 CA LEU A 44 5.131 5.670 -0.908 1.00 10.00 C ATOM 392 C LEU A 44 4.113 6.388 -1.795 1.00 10.00 C ATOM 393 O LEU A 44 2.982 5.930 -1.952 1.00 10.00 O ATOM 394 CB LEU A 44 4.682 5.722 0.555 1.00 10.00 C ATOM 395 CG LEU A 44 5.021 4.478 1.384 1.00 10.00 C ATOM 396 CD1 LEU A 44 4.752 4.729 2.862 1.00 10.00 C ATOM 397 CD2 LEU A 44 4.223 3.274 0.903 1.00 10.00 C ATOM 0 H LEU A 44 6.876 6.651 -0.243 1.00 10.00 H new ATOM 0 HA LEU A 44 5.179 4.625 -1.214 1.00 10.00 H new ATOM 0 HB2 LEU A 44 5.139 6.591 1.029 1.00 10.00 H new ATOM 0 HB3 LEU A 44 3.603 5.875 0.583 1.00 10.00 H new ATOM 0 HG LEU A 44 6.082 4.265 1.253 1.00 10.00 H new ATOM 0 HD11 LEU A 44 4.999 3.834 3.434 1.00 10.00 H new ATOM 0 HD12 LEU A 44 5.366 5.561 3.207 1.00 10.00 H new ATOM 0 HD13 LEU A 44 3.699 4.971 3.004 1.00 10.00 H new ATOM 0 HD21 LEU A 44 4.480 2.403 1.506 1.00 10.00 H new ATOM 0 HD22 LEU A 44 3.157 3.481 1.001 1.00 10.00 H new ATOM 0 HD23 LEU A 44 4.460 3.075 -0.142 1.00 10.00 H new ATOM 409 N LYS A 45 4.529 7.508 -2.369 1.00 10.00 N ATOM 410 CA LYS A 45 3.684 8.287 -3.259 1.00 10.00 C ATOM 411 C LYS A 45 3.257 7.446 -4.458 1.00 10.00 C ATOM 412 O LYS A 45 2.068 7.327 -4.759 1.00 10.00 O ATOM 413 CB LYS A 45 4.445 9.533 -3.731 1.00 10.00 C ATOM 414 CG LYS A 45 3.796 10.256 -4.903 1.00 10.00 C ATOM 415 CD LYS A 45 2.522 10.968 -4.488 1.00 10.00 C ATOM 416 CE LYS A 45 1.677 11.348 -5.691 1.00 10.00 C ATOM 417 NZ LYS A 45 0.469 12.115 -5.289 1.00 10.00 N ATOM 0 H LYS A 45 5.460 7.901 -2.230 1.00 10.00 H new ATOM 0 HA LYS A 45 2.789 8.596 -2.719 1.00 10.00 H new ATOM 0 HB2 LYS A 45 4.535 10.227 -2.896 1.00 10.00 H new ATOM 0 HB3 LYS A 45 5.456 9.241 -4.014 1.00 10.00 H new ATOM 0 HG2 LYS A 45 4.498 10.979 -5.318 1.00 10.00 H new ATOM 0 HG3 LYS A 45 3.571 9.540 -5.693 1.00 10.00 H new ATOM 0 HD2 LYS A 45 1.944 10.324 -3.825 1.00 10.00 H new ATOM 0 HD3 LYS A 45 2.774 11.865 -3.921 1.00 10.00 H new ATOM 0 HE2 LYS A 45 2.274 11.943 -6.382 1.00 10.00 H new ATOM 0 HE3 LYS A 45 1.376 10.446 -6.225 1.00 10.00 H new ATOM 0 HZ1 LYS A 45 -0.254 12.040 -6.033 1.00 10.00 H new ATOM 0 HZ2 LYS A 45 0.092 11.728 -4.400 1.00 10.00 H new ATOM 0 HZ3 LYS A 45 0.722 13.114 -5.152 1.00 10.00 H new ATOM 431 N LYS A 46 4.235 6.836 -5.118 1.00 10.00 N ATOM 432 CA LYS A 46 3.964 6.013 -6.286 1.00 10.00 C ATOM 433 C LYS A 46 3.373 4.665 -5.874 1.00 10.00 C ATOM 434 O LYS A 46 2.766 3.969 -6.683 1.00 10.00 O ATOM 435 CB LYS A 46 5.239 5.810 -7.107 1.00 10.00 C ATOM 436 CG LYS A 46 4.969 5.380 -8.540 1.00 10.00 C ATOM 437 CD LYS A 46 6.249 5.293 -9.359 1.00 10.00 C ATOM 438 CE LYS A 46 6.731 6.667 -9.793 1.00 10.00 C ATOM 439 NZ LYS A 46 8.150 6.641 -10.220 1.00 10.00 N ATOM 0 H LYS A 46 5.221 6.897 -4.863 1.00 10.00 H new ATOM 0 HA LYS A 46 3.232 6.532 -6.906 1.00 10.00 H new ATOM 0 HB2 LYS A 46 5.809 6.739 -7.115 1.00 10.00 H new ATOM 0 HB3 LYS A 46 5.860 5.058 -6.620 1.00 10.00 H new ATOM 0 HG2 LYS A 46 4.472 4.410 -8.540 1.00 10.00 H new ATOM 0 HG3 LYS A 46 4.286 6.088 -9.009 1.00 10.00 H new ATOM 0 HD2 LYS A 46 7.025 4.804 -8.771 1.00 10.00 H new ATOM 0 HD3 LYS A 46 6.077 4.673 -10.239 1.00 10.00 H new ATOM 0 HE2 LYS A 46 6.111 7.028 -10.614 1.00 10.00 H new ATOM 0 HE3 LYS A 46 6.612 7.371 -8.970 1.00 10.00 H new ATOM 0 HZ1 LYS A 46 8.341 7.454 -10.840 1.00 10.00 H new ATOM 0 HZ2 LYS A 46 8.765 6.691 -9.383 1.00 10.00 H new ATOM 0 HZ3 LYS A 46 8.341 5.759 -10.737 1.00 10.00 H new ATOM 453 N LEU A 47 3.546 4.306 -4.609 1.00 10.00 N ATOM 454 CA LEU A 47 3.018 3.045 -4.096 1.00 10.00 C ATOM 455 C LEU A 47 1.497 3.080 -4.059 1.00 10.00 C ATOM 456 O LEU A 47 0.828 2.093 -4.370 1.00 10.00 O ATOM 457 CB LEU A 47 3.546 2.769 -2.684 1.00 10.00 C ATOM 458 CG LEU A 47 4.795 1.890 -2.594 1.00 10.00 C ATOM 459 CD1 LEU A 47 4.516 0.508 -3.145 1.00 10.00 C ATOM 460 CD2 LEU A 47 5.965 2.533 -3.312 1.00 10.00 C ATOM 0 H LEU A 47 4.046 4.867 -3.919 1.00 10.00 H new ATOM 0 HA LEU A 47 3.348 2.250 -4.765 1.00 10.00 H new ATOM 0 HB2 LEU A 47 3.763 3.724 -2.206 1.00 10.00 H new ATOM 0 HB3 LEU A 47 2.751 2.297 -2.106 1.00 10.00 H new ATOM 0 HG LEU A 47 5.063 1.789 -1.542 1.00 10.00 H new ATOM 0 HD11 LEU A 47 5.417 -0.101 -3.072 1.00 10.00 H new ATOM 0 HD12 LEU A 47 3.715 0.042 -2.571 1.00 10.00 H new ATOM 0 HD13 LEU A 47 4.215 0.587 -4.190 1.00 10.00 H new ATOM 0 HD21 LEU A 47 6.840 1.888 -3.233 1.00 10.00 H new ATOM 0 HD22 LEU A 47 5.713 2.675 -4.363 1.00 10.00 H new ATOM 0 HD23 LEU A 47 6.184 3.499 -2.857 1.00 10.00 H new ATOM 472 N LYS A 48 0.959 4.227 -3.686 1.00 10.00 N ATOM 473 CA LYS A 48 -0.483 4.398 -3.586 1.00 10.00 C ATOM 474 C LYS A 48 -1.154 4.349 -4.959 1.00 10.00 C ATOM 475 O LYS A 48 -2.132 3.622 -5.154 1.00 10.00 O ATOM 476 CB LYS A 48 -0.803 5.716 -2.878 1.00 10.00 C ATOM 477 CG LYS A 48 -0.181 5.821 -1.492 1.00 10.00 C ATOM 478 CD LYS A 48 -0.484 7.158 -0.829 1.00 10.00 C ATOM 479 CE LYS A 48 -1.921 7.225 -0.340 1.00 10.00 C ATOM 480 NZ LYS A 48 -2.216 8.507 0.349 1.00 10.00 N ATOM 0 H LYS A 48 1.499 5.058 -3.446 1.00 10.00 H new ATOM 0 HA LYS A 48 -0.882 3.570 -3.000 1.00 10.00 H new ATOM 0 HB2 LYS A 48 -0.450 6.545 -3.491 1.00 10.00 H new ATOM 0 HB3 LYS A 48 -1.885 5.821 -2.792 1.00 10.00 H new ATOM 0 HG2 LYS A 48 -0.556 5.012 -0.865 1.00 10.00 H new ATOM 0 HG3 LYS A 48 0.899 5.691 -1.569 1.00 10.00 H new ATOM 0 HD2 LYS A 48 0.194 7.311 0.010 1.00 10.00 H new ATOM 0 HD3 LYS A 48 -0.302 7.966 -1.537 1.00 10.00 H new ATOM 0 HE2 LYS A 48 -2.598 7.104 -1.186 1.00 10.00 H new ATOM 0 HE3 LYS A 48 -2.111 6.395 0.341 1.00 10.00 H new ATOM 0 HZ1 LYS A 48 -3.240 8.689 0.320 1.00 10.00 H new ATOM 0 HZ2 LYS A 48 -1.902 8.449 1.339 1.00 10.00 H new ATOM 0 HZ3 LYS A 48 -1.713 9.282 -0.129 1.00 10.00 H new ATOM 494 N GLU A 49 -0.618 5.101 -5.914 1.00 10.00 N ATOM 495 CA GLU A 49 -1.189 5.139 -7.259 1.00 10.00 C ATOM 496 C GLU A 49 -1.055 3.787 -7.958 1.00 10.00 C ATOM 497 O GLU A 49 -1.954 3.374 -8.690 1.00 10.00 O ATOM 498 CB GLU A 49 -0.541 6.243 -8.100 1.00 10.00 C ATOM 499 CG GLU A 49 0.973 6.247 -8.048 1.00 10.00 C ATOM 500 CD GLU A 49 1.584 7.288 -8.957 1.00 10.00 C ATOM 501 OE1 GLU A 49 1.701 7.027 -10.172 1.00 10.00 O ATOM 502 OE2 GLU A 49 1.953 8.368 -8.462 1.00 10.00 O ATOM 0 H GLU A 49 0.205 5.689 -5.785 1.00 10.00 H new ATOM 0 HA GLU A 49 -2.251 5.363 -7.157 1.00 10.00 H new ATOM 0 HB2 GLU A 49 -0.859 6.130 -9.137 1.00 10.00 H new ATOM 0 HB3 GLU A 49 -0.909 7.210 -7.757 1.00 10.00 H new ATOM 0 HG2 GLU A 49 1.297 6.430 -7.023 1.00 10.00 H new ATOM 0 HG3 GLU A 49 1.345 5.262 -8.329 1.00 10.00 H new ATOM 509 N SER A 50 0.058 3.092 -7.722 1.00 10.00 N ATOM 510 CA SER A 50 0.284 1.782 -8.329 1.00 10.00 C ATOM 511 C SER A 50 -0.849 0.816 -7.968 1.00 10.00 C ATOM 512 O SER A 50 -1.336 0.064 -8.815 1.00 10.00 O ATOM 513 CB SER A 50 1.632 1.209 -7.878 1.00 10.00 C ATOM 514 OG SER A 50 2.718 1.957 -8.414 1.00 10.00 O ATOM 0 H SER A 50 0.814 3.413 -7.117 1.00 10.00 H new ATOM 0 HA SER A 50 0.301 1.906 -9.412 1.00 10.00 H new ATOM 0 HB2 SER A 50 1.686 1.215 -6.789 1.00 10.00 H new ATOM 0 HB3 SER A 50 1.712 0.169 -8.196 1.00 10.00 H new ATOM 0 HG SER A 50 2.706 2.863 -8.042 1.00 10.00 H new ATOM 520 N TYR A 51 -1.284 0.863 -6.711 1.00 10.00 N ATOM 521 CA TYR A 51 -2.363 0.001 -6.246 1.00 10.00 C ATOM 522 C TYR A 51 -3.665 0.349 -6.953 1.00 10.00 C ATOM 523 O TYR A 51 -4.438 -0.536 -7.328 1.00 10.00 O ATOM 524 CB TYR A 51 -2.548 0.140 -4.732 1.00 10.00 C ATOM 525 CG TYR A 51 -3.453 -0.915 -4.131 1.00 10.00 C ATOM 526 CD1 TYR A 51 -3.077 -2.252 -4.111 1.00 10.00 C ATOM 527 CD2 TYR A 51 -4.684 -0.574 -3.588 1.00 10.00 C ATOM 528 CE1 TYR A 51 -3.903 -3.217 -3.568 1.00 10.00 C ATOM 529 CE2 TYR A 51 -5.515 -1.533 -3.041 1.00 10.00 C ATOM 530 CZ TYR A 51 -5.120 -2.854 -3.034 1.00 10.00 C ATOM 531 OH TYR A 51 -5.945 -3.814 -2.492 1.00 10.00 O ATOM 0 H TYR A 51 -0.906 1.488 -5.999 1.00 10.00 H new ATOM 0 HA TYR A 51 -2.096 -1.030 -6.478 1.00 10.00 H new ATOM 0 HB2 TYR A 51 -1.572 0.087 -4.249 1.00 10.00 H new ATOM 0 HB3 TYR A 51 -2.959 1.126 -4.514 1.00 10.00 H new ATOM 0 HD1 TYR A 51 -2.123 -2.542 -4.527 1.00 10.00 H new ATOM 0 HD2 TYR A 51 -4.998 0.459 -3.593 1.00 10.00 H new ATOM 0 HE1 TYR A 51 -3.596 -4.252 -3.562 1.00 10.00 H new ATOM 0 HE2 TYR A 51 -6.469 -1.249 -2.621 1.00 10.00 H new ATOM 0 HH TYR A 51 -6.764 -3.391 -2.158 1.00 10.00 H new ATOM 541 N CYS A 52 -3.893 1.642 -7.148 1.00 10.00 N ATOM 542 CA CYS A 52 -5.098 2.121 -7.807 1.00 10.00 C ATOM 543 C CYS A 52 -5.180 1.588 -9.233 1.00 10.00 C ATOM 544 O CYS A 52 -6.244 1.162 -9.686 1.00 10.00 O ATOM 545 CB CYS A 52 -5.116 3.650 -7.817 1.00 10.00 C ATOM 546 SG CYS A 52 -4.766 4.400 -6.209 1.00 10.00 S ATOM 0 H CYS A 52 -3.253 2.381 -6.856 1.00 10.00 H new ATOM 0 HA CYS A 52 -5.963 1.757 -7.253 1.00 10.00 H new ATOM 0 HB2 CYS A 52 -4.383 4.007 -8.540 1.00 10.00 H new ATOM 0 HB3 CYS A 52 -6.093 3.989 -8.160 1.00 10.00 H new ATOM 0 HG CYS A 52 -3.664 3.904 -5.729 1.00 10.00 H new ATOM 552 N GLN A 53 -4.045 1.589 -9.922 1.00 10.00 N ATOM 553 CA GLN A 53 -3.981 1.106 -11.295 1.00 10.00 C ATOM 554 C GLN A 53 -4.305 -0.383 -11.357 1.00 10.00 C ATOM 555 O GLN A 53 -5.013 -0.835 -12.258 1.00 10.00 O ATOM 556 CB GLN A 53 -2.592 1.359 -11.886 1.00 10.00 C ATOM 557 CG GLN A 53 -2.172 2.819 -11.842 1.00 10.00 C ATOM 558 CD GLN A 53 -0.758 3.033 -12.348 1.00 10.00 C ATOM 559 OE1 GLN A 53 0.092 2.146 -12.256 1.00 10.00 O ATOM 560 NE2 GLN A 53 -0.492 4.213 -12.875 1.00 10.00 N ATOM 0 H GLN A 53 -3.155 1.920 -9.551 1.00 10.00 H new ATOM 0 HA GLN A 53 -4.721 1.651 -11.881 1.00 10.00 H new ATOM 0 HB2 GLN A 53 -1.860 0.762 -11.342 1.00 10.00 H new ATOM 0 HB3 GLN A 53 -2.578 1.016 -12.921 1.00 10.00 H new ATOM 0 HG2 GLN A 53 -2.863 3.411 -12.443 1.00 10.00 H new ATOM 0 HG3 GLN A 53 -2.247 3.184 -10.818 1.00 10.00 H new ATOM 0 HE21 GLN A 53 -1.223 4.922 -12.934 1.00 10.00 H new ATOM 0 HE22 GLN A 53 0.445 4.416 -13.224 1.00 10.00 H new ATOM 569 N ARG A 54 -3.799 -1.133 -10.384 1.00 10.00 N ATOM 570 CA ARG A 54 -4.030 -2.572 -10.327 1.00 10.00 C ATOM 571 C ARG A 54 -5.491 -2.883 -10.010 1.00 10.00 C ATOM 572 O ARG A 54 -6.080 -3.792 -10.594 1.00 10.00 O ATOM 573 CB ARG A 54 -3.107 -3.223 -9.289 1.00 10.00 C ATOM 574 CG ARG A 54 -3.396 -4.698 -9.055 1.00 10.00 C ATOM 575 CD ARG A 54 -2.130 -5.481 -8.752 1.00 10.00 C ATOM 576 NE ARG A 54 -2.400 -6.912 -8.606 1.00 10.00 N ATOM 577 CZ ARG A 54 -1.708 -7.873 -9.222 1.00 10.00 C ATOM 578 NH1 ARG A 54 -0.697 -7.564 -10.027 1.00 10.00 N ATOM 579 NH2 ARG A 54 -2.043 -9.146 -9.045 1.00 10.00 N ATOM 0 H ARG A 54 -3.226 -0.768 -9.623 1.00 10.00 H new ATOM 0 HA ARG A 54 -3.802 -2.988 -11.308 1.00 10.00 H new ATOM 0 HB2 ARG A 54 -2.073 -3.111 -9.615 1.00 10.00 H new ATOM 0 HB3 ARG A 54 -3.203 -2.688 -8.344 1.00 10.00 H new ATOM 0 HG2 ARG A 54 -4.096 -4.804 -8.226 1.00 10.00 H new ATOM 0 HG3 ARG A 54 -3.880 -5.118 -9.937 1.00 10.00 H new ATOM 0 HD2 ARG A 54 -1.407 -5.327 -9.553 1.00 10.00 H new ATOM 0 HD3 ARG A 54 -1.677 -5.101 -7.836 1.00 10.00 H new ATOM 0 HE ARG A 54 -3.166 -7.193 -7.994 1.00 10.00 H new ATOM 0 HH11 ARG A 54 -0.445 -6.587 -10.178 1.00 10.00 H new ATOM 0 HH12 ARG A 54 -0.173 -8.304 -10.494 1.00 10.00 H new ATOM 0 HH21 ARG A 54 -2.828 -9.387 -8.439 1.00 10.00 H new ATOM 0 HH22 ARG A 54 -1.516 -9.882 -9.515 1.00 10.00 H new ATOM 593 N GLN A 55 -6.076 -2.117 -9.097 1.00 10.00 N ATOM 594 CA GLN A 55 -7.470 -2.320 -8.707 1.00 10.00 C ATOM 595 C GLN A 55 -8.425 -1.809 -9.782 1.00 10.00 C ATOM 596 O GLN A 55 -9.586 -2.218 -9.844 1.00 10.00 O ATOM 597 CB GLN A 55 -7.764 -1.619 -7.377 1.00 10.00 C ATOM 598 CG GLN A 55 -7.173 -2.330 -6.169 1.00 10.00 C ATOM 599 CD GLN A 55 -7.633 -3.771 -6.058 1.00 10.00 C ATOM 600 OE1 GLN A 55 -6.972 -4.683 -6.550 1.00 10.00 O ATOM 601 NE2 GLN A 55 -8.772 -3.983 -5.421 1.00 10.00 N ATOM 0 H GLN A 55 -5.610 -1.350 -8.612 1.00 10.00 H new ATOM 0 HA GLN A 55 -7.627 -3.392 -8.588 1.00 10.00 H new ATOM 0 HB2 GLN A 55 -7.372 -0.603 -7.417 1.00 10.00 H new ATOM 0 HB3 GLN A 55 -8.844 -1.539 -7.249 1.00 10.00 H new ATOM 0 HG2 GLN A 55 -6.085 -2.304 -6.233 1.00 10.00 H new ATOM 0 HG3 GLN A 55 -7.452 -1.792 -5.263 1.00 10.00 H new ATOM 0 HE21 GLN A 55 -9.290 -3.197 -5.027 1.00 10.00 H new ATOM 0 HE22 GLN A 55 -9.133 -4.932 -5.323 1.00 10.00 H new ATOM 610 N GLY A 56 -7.928 -0.917 -10.627 1.00 10.00 N ATOM 611 CA GLY A 56 -8.752 -0.361 -11.683 1.00 10.00 C ATOM 612 C GLY A 56 -9.613 0.775 -11.177 1.00 10.00 C ATOM 613 O GLY A 56 -10.736 0.971 -11.639 1.00 10.00 O ATOM 0 H GLY A 56 -6.970 -0.568 -10.601 1.00 10.00 H new ATOM 0 HA2 GLY A 56 -8.115 -0.003 -12.492 1.00 10.00 H new ATOM 0 HA3 GLY A 56 -9.388 -1.143 -12.099 1.00 10.00 H new ATOM 617 N VAL A 57 -9.080 1.520 -10.221 1.00 10.00 N ATOM 618 CA VAL A 57 -9.788 2.642 -9.627 1.00 10.00 C ATOM 619 C VAL A 57 -8.909 3.889 -9.657 1.00 10.00 C ATOM 620 O VAL A 57 -7.692 3.782 -9.826 1.00 10.00 O ATOM 621 CB VAL A 57 -10.195 2.342 -8.164 1.00 10.00 C ATOM 622 CG1 VAL A 57 -11.243 1.242 -8.108 1.00 10.00 C ATOM 623 CG2 VAL A 57 -8.979 1.964 -7.332 1.00 10.00 C ATOM 0 H VAL A 57 -8.148 1.364 -9.837 1.00 10.00 H new ATOM 0 HA VAL A 57 -10.693 2.810 -10.211 1.00 10.00 H new ATOM 0 HB VAL A 57 -10.630 3.249 -7.743 1.00 10.00 H new ATOM 0 HG11 VAL A 57 -11.513 1.049 -7.070 1.00 10.00 H new ATOM 0 HG12 VAL A 57 -12.129 1.555 -8.661 1.00 10.00 H new ATOM 0 HG13 VAL A 57 -10.840 0.332 -8.553 1.00 10.00 H new ATOM 0 HG21 VAL A 57 -9.289 1.758 -6.308 1.00 10.00 H new ATOM 0 HG22 VAL A 57 -8.510 1.076 -7.755 1.00 10.00 H new ATOM 0 HG23 VAL A 57 -8.265 2.788 -7.336 1.00 10.00 H new ATOM 633 N PRO A 58 -9.506 5.086 -9.533 1.00 10.00 N ATOM 634 CA PRO A 58 -8.749 6.342 -9.516 1.00 10.00 C ATOM 635 C PRO A 58 -7.944 6.493 -8.225 1.00 10.00 C ATOM 636 O PRO A 58 -8.035 5.650 -7.332 1.00 10.00 O ATOM 637 CB PRO A 58 -9.838 7.413 -9.600 1.00 10.00 C ATOM 638 CG PRO A 58 -11.057 6.764 -9.047 1.00 10.00 C ATOM 639 CD PRO A 58 -10.961 5.317 -9.431 1.00 10.00 C ATOM 0 HA PRO A 58 -8.020 6.402 -10.324 1.00 10.00 H new ATOM 0 HB2 PRO A 58 -9.566 8.298 -9.025 1.00 10.00 H new ATOM 0 HB3 PRO A 58 -9.995 7.737 -10.629 1.00 10.00 H new ATOM 0 HG2 PRO A 58 -11.104 6.879 -7.964 1.00 10.00 H new ATOM 0 HG3 PRO A 58 -11.960 7.217 -9.455 1.00 10.00 H new ATOM 0 HD2 PRO A 58 -11.419 4.671 -8.682 1.00 10.00 H new ATOM 0 HD3 PRO A 58 -11.467 5.118 -10.376 1.00 10.00 H new ATOM 647 N MET A 59 -7.170 7.561 -8.112 1.00 10.00 N ATOM 648 CA MET A 59 -6.365 7.777 -6.917 1.00 10.00 C ATOM 649 C MET A 59 -7.153 8.572 -5.883 1.00 10.00 C ATOM 650 O MET A 59 -8.146 9.218 -6.222 1.00 10.00 O ATOM 651 CB MET A 59 -5.062 8.504 -7.262 1.00 10.00 C ATOM 652 CG MET A 59 -3.955 8.280 -6.240 1.00 10.00 C ATOM 653 SD MET A 59 -2.523 9.341 -6.510 1.00 10.00 S ATOM 654 CE MET A 59 -1.432 8.762 -5.210 1.00 10.00 C ATOM 0 H MET A 59 -7.081 8.286 -8.824 1.00 10.00 H new ATOM 0 HA MET A 59 -6.114 6.804 -6.496 1.00 10.00 H new ATOM 0 HB2 MET A 59 -4.716 8.170 -8.240 1.00 10.00 H new ATOM 0 HB3 MET A 59 -5.261 9.573 -7.342 1.00 10.00 H new ATOM 0 HG2 MET A 59 -4.350 8.459 -5.240 1.00 10.00 H new ATOM 0 HG3 MET A 59 -3.640 7.237 -6.276 1.00 10.00 H new ATOM 0 HE1 MET A 59 -0.505 9.334 -5.231 1.00 10.00 H new ATOM 0 HE2 MET A 59 -1.917 8.893 -4.243 1.00 10.00 H new ATOM 0 HE3 MET A 59 -1.210 7.706 -5.365 1.00 10.00 H new ATOM 664 N ASN A 60 -6.720 8.489 -4.619 1.00 10.00 N ATOM 665 CA ASN A 60 -7.367 9.200 -3.508 1.00 10.00 C ATOM 666 C ASN A 60 -8.738 8.587 -3.210 1.00 10.00 C ATOM 667 O ASN A 60 -9.559 9.171 -2.505 1.00 10.00 O ATOM 668 CB ASN A 60 -7.499 10.697 -3.828 1.00 10.00 C ATOM 669 CG ASN A 60 -7.673 11.566 -2.593 1.00 10.00 C ATOM 670 OD1 ASN A 60 -6.696 11.966 -1.959 1.00 10.00 O ATOM 671 ND2 ASN A 60 -8.916 11.869 -2.247 1.00 10.00 N ATOM 0 H ASN A 60 -5.915 7.930 -4.338 1.00 10.00 H new ATOM 0 HA ASN A 60 -6.743 9.096 -2.620 1.00 10.00 H new ATOM 0 HB2 ASN A 60 -6.613 11.024 -4.371 1.00 10.00 H new ATOM 0 HB3 ASN A 60 -8.352 10.845 -4.491 1.00 10.00 H new ATOM 0 HD21 ASN A 60 -9.090 12.453 -1.429 1.00 10.00 H new ATOM 0 HD22 ASN A 60 -9.699 11.518 -2.799 1.00 10.00 H new ATOM 678 N SER A 61 -8.966 7.394 -3.740 1.00 10.00 N ATOM 679 CA SER A 61 -10.226 6.695 -3.555 1.00 10.00 C ATOM 680 C SER A 61 -10.153 5.724 -2.379 1.00 10.00 C ATOM 681 O SER A 61 -11.106 5.579 -1.618 1.00 10.00 O ATOM 682 CB SER A 61 -10.580 5.933 -4.835 1.00 10.00 C ATOM 683 OG SER A 61 -9.500 5.109 -5.246 1.00 10.00 O ATOM 0 H SER A 61 -8.286 6.887 -4.307 1.00 10.00 H new ATOM 0 HA SER A 61 -10.999 7.432 -3.337 1.00 10.00 H new ATOM 0 HB2 SER A 61 -11.466 5.321 -4.666 1.00 10.00 H new ATOM 0 HB3 SER A 61 -10.827 6.639 -5.628 1.00 10.00 H new ATOM 0 HG SER A 61 -9.240 5.343 -6.161 1.00 10.00 H new ATOM 689 N LEU A 62 -9.012 5.067 -2.235 1.00 10.00 N ATOM 690 CA LEU A 62 -8.825 4.095 -1.171 1.00 10.00 C ATOM 691 C LEU A 62 -7.887 4.629 -0.100 1.00 10.00 C ATOM 692 O LEU A 62 -6.801 5.125 -0.402 1.00 10.00 O ATOM 693 CB LEU A 62 -8.264 2.792 -1.749 1.00 10.00 C ATOM 694 CG LEU A 62 -9.039 2.210 -2.934 1.00 10.00 C ATOM 695 CD1 LEU A 62 -8.241 1.097 -3.596 1.00 10.00 C ATOM 696 CD2 LEU A 62 -10.396 1.694 -2.485 1.00 10.00 C ATOM 0 H LEU A 62 -8.202 5.190 -2.842 1.00 10.00 H new ATOM 0 HA LEU A 62 -9.794 3.903 -0.711 1.00 10.00 H new ATOM 0 HB2 LEU A 62 -7.234 2.967 -2.061 1.00 10.00 H new ATOM 0 HB3 LEU A 62 -8.234 2.046 -0.955 1.00 10.00 H new ATOM 0 HG LEU A 62 -9.198 3.004 -3.663 1.00 10.00 H new ATOM 0 HD11 LEU A 62 -8.806 0.694 -4.436 1.00 10.00 H new ATOM 0 HD12 LEU A 62 -7.291 1.494 -3.954 1.00 10.00 H new ATOM 0 HD13 LEU A 62 -8.053 0.304 -2.872 1.00 10.00 H new ATOM 0 HD21 LEU A 62 -10.931 1.284 -3.342 1.00 10.00 H new ATOM 0 HD22 LEU A 62 -10.259 0.914 -1.736 1.00 10.00 H new ATOM 0 HD23 LEU A 62 -10.972 2.513 -2.055 1.00 10.00 H new ATOM 708 N ARG A 63 -8.311 4.526 1.149 1.00 10.00 N ATOM 709 CA ARG A 63 -7.502 4.978 2.263 1.00 10.00 C ATOM 710 C ARG A 63 -6.798 3.786 2.903 1.00 10.00 C ATOM 711 O ARG A 63 -7.438 2.810 3.305 1.00 10.00 O ATOM 712 CB ARG A 63 -8.349 5.739 3.298 1.00 10.00 C ATOM 713 CG ARG A 63 -9.461 4.919 3.934 1.00 10.00 C ATOM 714 CD ARG A 63 -10.278 5.752 4.912 1.00 10.00 C ATOM 715 NE ARG A 63 -11.213 4.931 5.680 1.00 10.00 N ATOM 716 CZ ARG A 63 -12.537 5.094 5.668 1.00 10.00 C ATOM 717 NH1 ARG A 63 -13.095 6.042 4.925 1.00 10.00 N ATOM 718 NH2 ARG A 63 -13.307 4.299 6.400 1.00 10.00 N ATOM 0 H ARG A 63 -9.214 4.132 1.415 1.00 10.00 H new ATOM 0 HA ARG A 63 -6.751 5.673 1.888 1.00 10.00 H new ATOM 0 HB2 ARG A 63 -7.692 6.107 4.085 1.00 10.00 H new ATOM 0 HB3 ARG A 63 -8.789 6.612 2.816 1.00 10.00 H new ATOM 0 HG2 ARG A 63 -10.114 4.525 3.156 1.00 10.00 H new ATOM 0 HG3 ARG A 63 -9.031 4.063 4.454 1.00 10.00 H new ATOM 0 HD2 ARG A 63 -9.606 6.272 5.595 1.00 10.00 H new ATOM 0 HD3 ARG A 63 -10.831 6.516 4.365 1.00 10.00 H new ATOM 0 HE ARG A 63 -10.829 4.187 6.262 1.00 10.00 H new ATOM 0 HH11 ARG A 63 -12.510 6.654 4.356 1.00 10.00 H new ATOM 0 HH12 ARG A 63 -14.108 6.158 4.923 1.00 10.00 H new ATOM 0 HH21 ARG A 63 -12.886 3.565 6.970 1.00 10.00 H new ATOM 0 HH22 ARG A 63 -14.320 4.422 6.393 1.00 10.00 H new ATOM 732 N PHE A 64 -5.479 3.851 2.948 1.00 10.00 N ATOM 733 CA PHE A 64 -4.685 2.784 3.534 1.00 10.00 C ATOM 734 C PHE A 64 -4.470 3.058 5.012 1.00 10.00 C ATOM 735 O PHE A 64 -3.851 4.058 5.384 1.00 10.00 O ATOM 736 CB PHE A 64 -3.343 2.663 2.812 1.00 10.00 C ATOM 737 CG PHE A 64 -3.476 2.538 1.321 1.00 10.00 C ATOM 738 CD1 PHE A 64 -3.023 3.544 0.484 1.00 10.00 C ATOM 739 CD2 PHE A 64 -4.064 1.416 0.758 1.00 10.00 C ATOM 740 CE1 PHE A 64 -3.153 3.435 -0.887 1.00 10.00 C ATOM 741 CE2 PHE A 64 -4.195 1.302 -0.613 1.00 10.00 C ATOM 742 CZ PHE A 64 -3.739 2.312 -1.437 1.00 10.00 C ATOM 0 H PHE A 64 -4.934 4.633 2.585 1.00 10.00 H new ATOM 0 HA PHE A 64 -5.219 1.840 3.423 1.00 10.00 H new ATOM 0 HB2 PHE A 64 -2.735 3.537 3.043 1.00 10.00 H new ATOM 0 HB3 PHE A 64 -2.810 1.793 3.196 1.00 10.00 H new ATOM 0 HD1 PHE A 64 -2.563 4.424 0.908 1.00 10.00 H new ATOM 0 HD2 PHE A 64 -4.423 0.623 1.397 1.00 10.00 H new ATOM 0 HE1 PHE A 64 -2.797 4.228 -1.528 1.00 10.00 H new ATOM 0 HE2 PHE A 64 -4.654 0.423 -1.040 1.00 10.00 H new ATOM 0 HZ PHE A 64 -3.840 2.224 -2.509 1.00 10.00 H new ATOM 752 N LEU A 65 -4.994 2.179 5.848 1.00 10.00 N ATOM 753 CA LEU A 65 -4.880 2.331 7.288 1.00 10.00 C ATOM 754 C LEU A 65 -3.794 1.426 7.852 1.00 10.00 C ATOM 755 O LEU A 65 -3.807 0.211 7.644 1.00 10.00 O ATOM 756 CB LEU A 65 -6.220 2.029 7.964 1.00 10.00 C ATOM 757 CG LEU A 65 -7.407 2.860 7.462 1.00 10.00 C ATOM 758 CD1 LEU A 65 -8.702 2.362 8.080 1.00 10.00 C ATOM 759 CD2 LEU A 65 -7.198 4.335 7.780 1.00 10.00 C ATOM 0 H LEU A 65 -5.506 1.348 5.552 1.00 10.00 H new ATOM 0 HA LEU A 65 -4.603 3.365 7.495 1.00 10.00 H new ATOM 0 HB2 LEU A 65 -6.450 0.973 7.822 1.00 10.00 H new ATOM 0 HB3 LEU A 65 -6.112 2.190 9.037 1.00 10.00 H new ATOM 0 HG LEU A 65 -7.474 2.747 6.380 1.00 10.00 H new ATOM 0 HD11 LEU A 65 -9.535 2.962 7.713 1.00 10.00 H new ATOM 0 HD12 LEU A 65 -8.858 1.319 7.806 1.00 10.00 H new ATOM 0 HD13 LEU A 65 -8.644 2.447 9.165 1.00 10.00 H new ATOM 0 HD21 LEU A 65 -8.050 4.910 7.417 1.00 10.00 H new ATOM 0 HD22 LEU A 65 -7.106 4.465 8.858 1.00 10.00 H new ATOM 0 HD23 LEU A 65 -6.289 4.687 7.293 1.00 10.00 H new ATOM 771 N PHE A 66 -2.856 2.036 8.553 1.00 10.00 N ATOM 772 CA PHE A 66 -1.753 1.327 9.175 1.00 10.00 C ATOM 773 C PHE A 66 -1.685 1.703 10.647 1.00 10.00 C ATOM 774 O PHE A 66 -1.368 2.847 10.988 1.00 10.00 O ATOM 775 CB PHE A 66 -0.435 1.665 8.470 1.00 10.00 C ATOM 776 CG PHE A 66 0.787 1.100 9.147 1.00 10.00 C ATOM 777 CD1 PHE A 66 1.076 -0.253 9.070 1.00 10.00 C ATOM 778 CD2 PHE A 66 1.653 1.925 9.847 1.00 10.00 C ATOM 779 CE1 PHE A 66 2.200 -0.771 9.684 1.00 10.00 C ATOM 780 CE2 PHE A 66 2.777 1.412 10.463 1.00 10.00 C ATOM 781 CZ PHE A 66 3.052 0.063 10.380 1.00 10.00 C ATOM 0 H PHE A 66 -2.838 3.044 8.708 1.00 10.00 H new ATOM 0 HA PHE A 66 -1.916 0.253 9.086 1.00 10.00 H new ATOM 0 HB2 PHE A 66 -0.476 1.291 7.447 1.00 10.00 H new ATOM 0 HB3 PHE A 66 -0.335 2.749 8.409 1.00 10.00 H new ATOM 0 HD1 PHE A 66 0.415 -0.910 8.524 1.00 10.00 H new ATOM 0 HD2 PHE A 66 1.446 2.983 9.911 1.00 10.00 H new ATOM 0 HE1 PHE A 66 2.412 -1.828 9.620 1.00 10.00 H new ATOM 0 HE2 PHE A 66 3.440 2.066 11.009 1.00 10.00 H new ATOM 0 HZ PHE A 66 3.932 -0.340 10.859 1.00 10.00 H new ATOM 791 N GLU A 67 -2.024 0.749 11.509 1.00 10.00 N ATOM 792 CA GLU A 67 -2.008 0.957 12.957 1.00 10.00 C ATOM 793 C GLU A 67 -3.015 2.025 13.383 1.00 10.00 C ATOM 794 O GLU A 67 -2.843 2.675 14.417 1.00 10.00 O ATOM 795 CB GLU A 67 -0.602 1.329 13.435 1.00 10.00 C ATOM 796 CG GLU A 67 0.245 0.126 13.805 1.00 10.00 C ATOM 797 CD GLU A 67 -0.378 -0.691 14.919 1.00 10.00 C ATOM 798 OE1 GLU A 67 -1.039 -1.707 14.620 1.00 10.00 O ATOM 799 OE2 GLU A 67 -0.216 -0.311 16.100 1.00 10.00 O ATOM 0 H GLU A 67 -2.317 -0.187 11.227 1.00 10.00 H new ATOM 0 HA GLU A 67 -2.300 0.017 13.426 1.00 10.00 H new ATOM 0 HB2 GLU A 67 -0.097 1.893 12.651 1.00 10.00 H new ATOM 0 HB3 GLU A 67 -0.682 1.988 14.300 1.00 10.00 H new ATOM 0 HG2 GLU A 67 0.381 -0.505 12.926 1.00 10.00 H new ATOM 0 HG3 GLU A 67 1.235 0.462 14.113 1.00 10.00 H new ATOM 806 N GLY A 68 -4.064 2.196 12.590 1.00 10.00 N ATOM 807 CA GLY A 68 -5.087 3.175 12.906 1.00 10.00 C ATOM 808 C GLY A 68 -4.905 4.488 12.173 1.00 10.00 C ATOM 809 O GLY A 68 -5.852 5.260 12.031 1.00 10.00 O ATOM 0 H GLY A 68 -4.226 1.672 11.730 1.00 10.00 H new ATOM 0 HA2 GLY A 68 -6.065 2.761 12.659 1.00 10.00 H new ATOM 0 HA3 GLY A 68 -5.082 3.362 13.980 1.00 10.00 H new ATOM 813 N GLN A 69 -3.696 4.747 11.700 1.00 10.00 N ATOM 814 CA GLN A 69 -3.414 5.982 10.984 1.00 10.00 C ATOM 815 C GLN A 69 -3.422 5.734 9.484 1.00 10.00 C ATOM 816 O GLN A 69 -3.179 4.617 9.037 1.00 10.00 O ATOM 817 CB GLN A 69 -2.070 6.561 11.423 1.00 10.00 C ATOM 818 CG GLN A 69 -2.054 7.005 12.876 1.00 10.00 C ATOM 819 CD GLN A 69 -0.778 7.729 13.258 1.00 10.00 C ATOM 820 OE1 GLN A 69 0.296 7.459 12.716 1.00 10.00 O ATOM 821 NE2 GLN A 69 -0.889 8.658 14.190 1.00 10.00 N ATOM 0 H GLN A 69 -2.897 4.121 11.798 1.00 10.00 H new ATOM 0 HA GLN A 69 -4.193 6.706 11.221 1.00 10.00 H new ATOM 0 HB2 GLN A 69 -1.292 5.813 11.270 1.00 10.00 H new ATOM 0 HB3 GLN A 69 -1.823 7.411 10.787 1.00 10.00 H new ATOM 0 HG2 GLN A 69 -2.906 7.659 13.060 1.00 10.00 H new ATOM 0 HG3 GLN A 69 -2.177 6.133 13.518 1.00 10.00 H new ATOM 0 HE21 GLN A 69 -1.797 8.850 14.613 1.00 10.00 H new ATOM 0 HE22 GLN A 69 -0.067 9.183 14.487 1.00 10.00 H new ATOM 830 N ARG A 70 -3.704 6.769 8.710 1.00 10.00 N ATOM 831 CA ARG A 70 -3.752 6.632 7.262 1.00 10.00 C ATOM 832 C ARG A 70 -2.415 7.004 6.625 1.00 10.00 C ATOM 833 O ARG A 70 -1.748 7.950 7.054 1.00 10.00 O ATOM 834 CB ARG A 70 -4.878 7.489 6.678 1.00 10.00 C ATOM 835 CG ARG A 70 -4.694 8.980 6.891 1.00 10.00 C ATOM 836 CD ARG A 70 -5.917 9.755 6.442 1.00 10.00 C ATOM 837 NE ARG A 70 -6.200 9.561 5.020 1.00 10.00 N ATOM 838 CZ ARG A 70 -7.425 9.489 4.506 1.00 10.00 C ATOM 839 NH1 ARG A 70 -8.489 9.587 5.290 1.00 10.00 N ATOM 840 NH2 ARG A 70 -7.595 9.316 3.201 1.00 10.00 N ATOM 0 H ARG A 70 -3.902 7.708 9.056 1.00 10.00 H new ATOM 0 HA ARG A 70 -3.954 5.586 7.033 1.00 10.00 H new ATOM 0 HB2 ARG A 70 -4.953 7.292 5.609 1.00 10.00 H new ATOM 0 HB3 ARG A 70 -5.823 7.183 7.126 1.00 10.00 H new ATOM 0 HG2 ARG A 70 -4.502 9.178 7.946 1.00 10.00 H new ATOM 0 HG3 ARG A 70 -3.820 9.323 6.338 1.00 10.00 H new ATOM 0 HD2 ARG A 70 -6.780 9.441 7.029 1.00 10.00 H new ATOM 0 HD3 ARG A 70 -5.766 10.816 6.640 1.00 10.00 H new ATOM 0 HE ARG A 70 -5.408 9.476 4.382 1.00 10.00 H new ATOM 0 HH11 ARG A 70 -8.372 9.719 6.295 1.00 10.00 H new ATOM 0 HH12 ARG A 70 -9.425 9.531 4.889 1.00 10.00 H new ATOM 0 HH21 ARG A 70 -6.784 9.238 2.587 1.00 10.00 H new ATOM 0 HH22 ARG A 70 -8.536 9.261 2.812 1.00 10.00 H new ATOM 854 N ILE A 71 -2.032 6.246 5.608 1.00 10.00 N ATOM 855 CA ILE A 71 -0.782 6.481 4.897 1.00 10.00 C ATOM 856 C ILE A 71 -0.882 7.731 4.028 1.00 10.00 C ATOM 857 O ILE A 71 -1.767 7.842 3.172 1.00 10.00 O ATOM 858 CB ILE A 71 -0.397 5.271 4.014 1.00 10.00 C ATOM 859 CG1 ILE A 71 -0.242 4.008 4.869 1.00 10.00 C ATOM 860 CG2 ILE A 71 0.885 5.551 3.241 1.00 10.00 C ATOM 861 CD1 ILE A 71 0.837 4.111 5.930 1.00 10.00 C ATOM 0 H ILE A 71 -2.573 5.457 5.254 1.00 10.00 H new ATOM 0 HA ILE A 71 -0.005 6.624 5.648 1.00 10.00 H new ATOM 0 HB ILE A 71 -1.200 5.106 3.295 1.00 10.00 H new ATOM 0 HG12 ILE A 71 -1.194 3.790 5.353 1.00 10.00 H new ATOM 0 HG13 ILE A 71 -0.016 3.165 4.216 1.00 10.00 H new ATOM 0 HG21 ILE A 71 1.136 4.686 2.627 1.00 10.00 H new ATOM 0 HG22 ILE A 71 0.741 6.421 2.600 1.00 10.00 H new ATOM 0 HG23 ILE A 71 1.697 5.747 3.941 1.00 10.00 H new ATOM 0 HD11 ILE A 71 0.885 3.178 6.492 1.00 10.00 H new ATOM 0 HD12 ILE A 71 1.799 4.297 5.453 1.00 10.00 H new ATOM 0 HD13 ILE A 71 0.603 4.932 6.608 1.00 10.00 H new ATOM 873 N ALA A 72 0.028 8.666 4.256 1.00 10.00 N ATOM 874 CA ALA A 72 0.061 9.916 3.511 1.00 10.00 C ATOM 875 C ALA A 72 0.714 9.720 2.148 1.00 10.00 C ATOM 876 O ALA A 72 1.347 8.697 1.890 1.00 10.00 O ATOM 877 CB ALA A 72 0.803 10.984 4.304 1.00 10.00 C ATOM 0 H ALA A 72 0.762 8.581 4.960 1.00 10.00 H new ATOM 0 HA ALA A 72 -0.966 10.245 3.352 1.00 10.00 H new ATOM 0 HB1 ALA A 72 0.820 11.914 3.735 1.00 10.00 H new ATOM 0 HB2 ALA A 72 0.296 11.150 5.254 1.00 10.00 H new ATOM 0 HB3 ALA A 72 1.825 10.654 4.491 1.00 10.00 H new ATOM 883 N ASP A 73 0.575 10.716 1.286 1.00 10.00 N ATOM 884 CA ASP A 73 1.146 10.656 -0.056 1.00 10.00 C ATOM 885 C ASP A 73 2.637 10.990 -0.045 1.00 10.00 C ATOM 886 O ASP A 73 3.283 11.017 -1.091 1.00 10.00 O ATOM 887 CB ASP A 73 0.411 11.624 -0.987 1.00 10.00 C ATOM 888 CG ASP A 73 -0.590 10.929 -1.889 1.00 10.00 C ATOM 889 OD1 ASP A 73 -1.570 10.359 -1.367 1.00 10.00 O ATOM 890 OD2 ASP A 73 -0.403 10.955 -3.122 1.00 10.00 O ATOM 0 H ASP A 73 0.071 11.579 1.490 1.00 10.00 H new ATOM 0 HA ASP A 73 1.026 9.636 -0.420 1.00 10.00 H new ATOM 0 HB2 ASP A 73 -0.106 12.374 -0.388 1.00 10.00 H new ATOM 0 HB3 ASP A 73 1.140 12.153 -1.601 1.00 10.00 H new ATOM 895 N ASN A 74 3.182 11.246 1.139 1.00 10.00 N ATOM 896 CA ASN A 74 4.596 11.589 1.267 1.00 10.00 C ATOM 897 C ASN A 74 5.270 10.756 2.355 1.00 10.00 C ATOM 898 O ASN A 74 6.380 11.066 2.793 1.00 10.00 O ATOM 899 CB ASN A 74 4.753 13.084 1.576 1.00 10.00 C ATOM 900 CG ASN A 74 4.335 13.435 2.992 1.00 10.00 C ATOM 901 OD1 ASN A 74 3.147 13.585 3.282 1.00 10.00 O ATOM 902 ND2 ASN A 74 5.306 13.578 3.878 1.00 10.00 N ATOM 0 H ASN A 74 2.670 11.223 2.021 1.00 10.00 H new ATOM 0 HA ASN A 74 5.084 11.366 0.318 1.00 10.00 H new ATOM 0 HB2 ASN A 74 5.793 13.375 1.425 1.00 10.00 H new ATOM 0 HB3 ASN A 74 4.155 13.662 0.871 1.00 10.00 H new ATOM 0 HD21 ASN A 74 5.084 13.821 4.843 1.00 10.00 H new ATOM 0 HD22 ASN A 74 6.277 13.445 3.596 1.00 10.00 H new ATOM 909 N HIS A 75 4.603 9.691 2.780 1.00 10.00 N ATOM 910 CA HIS A 75 5.144 8.822 3.820 1.00 10.00 C ATOM 911 C HIS A 75 6.269 7.954 3.267 1.00 10.00 C ATOM 912 O HIS A 75 6.353 7.727 2.060 1.00 10.00 O ATOM 913 CB HIS A 75 4.043 7.934 4.404 1.00 10.00 C ATOM 914 CG HIS A 75 3.502 8.423 5.711 1.00 10.00 C ATOM 915 ND1 HIS A 75 2.170 8.305 6.025 1.00 10.00 N ATOM 916 CD2 HIS A 75 4.150 9.007 6.746 1.00 10.00 C ATOM 917 CE1 HIS A 75 2.037 8.815 7.236 1.00 10.00 C ATOM 918 NE2 HIS A 75 3.210 9.251 7.709 1.00 10.00 N ATOM 0 H HIS A 75 3.690 9.408 2.423 1.00 10.00 H new ATOM 0 HA HIS A 75 5.546 9.454 4.612 1.00 10.00 H new ATOM 0 HB2 HIS A 75 3.226 7.865 3.686 1.00 10.00 H new ATOM 0 HB3 HIS A 75 4.435 6.926 4.538 1.00 10.00 H new ATOM 0 HD2 HIS A 75 5.204 9.236 6.801 1.00 10.00 H new ATOM 0 HE1 HIS A 75 1.103 8.873 7.775 1.00 10.00 H new ATOM 0 HE2 HIS A 75 3.373 9.684 8.618 1.00 10.00 H new ATOM 926 N THR A 76 7.138 7.487 4.146 1.00 10.00 N ATOM 927 CA THR A 76 8.247 6.634 3.756 1.00 10.00 C ATOM 928 C THR A 76 8.106 5.262 4.414 1.00 10.00 C ATOM 929 O THR A 76 7.759 5.177 5.589 1.00 10.00 O ATOM 930 CB THR A 76 9.592 7.274 4.162 1.00 10.00 C ATOM 931 OG1 THR A 76 9.457 8.704 4.191 1.00 10.00 O ATOM 932 CG2 THR A 76 10.701 6.886 3.192 1.00 10.00 C ATOM 0 H THR A 76 7.096 7.687 5.145 1.00 10.00 H new ATOM 0 HA THR A 76 8.230 6.517 2.672 1.00 10.00 H new ATOM 0 HB THR A 76 9.859 6.907 5.153 1.00 10.00 H new ATOM 0 HG1 THR A 76 9.083 8.980 5.054 1.00 10.00 H new ATOM 0 HG21 THR A 76 11.636 7.351 3.503 1.00 10.00 H new ATOM 0 HG22 THR A 76 10.819 5.802 3.188 1.00 10.00 H new ATOM 0 HG23 THR A 76 10.443 7.226 2.189 1.00 10.00 H new ATOM 940 N PRO A 77 8.351 4.171 3.663 1.00 10.00 N ATOM 941 CA PRO A 77 8.243 2.798 4.192 1.00 10.00 C ATOM 942 C PRO A 77 9.101 2.562 5.438 1.00 10.00 C ATOM 943 O PRO A 77 8.784 1.711 6.269 1.00 10.00 O ATOM 944 CB PRO A 77 8.748 1.929 3.038 1.00 10.00 C ATOM 945 CG PRO A 77 8.552 2.753 1.815 1.00 10.00 C ATOM 946 CD PRO A 77 8.736 4.183 2.236 1.00 10.00 C ATOM 0 HA PRO A 77 7.224 2.577 4.508 1.00 10.00 H new ATOM 0 HB2 PRO A 77 9.797 1.667 3.172 1.00 10.00 H new ATOM 0 HB3 PRO A 77 8.191 0.994 2.976 1.00 10.00 H new ATOM 0 HG2 PRO A 77 9.271 2.480 1.043 1.00 10.00 H new ATOM 0 HG3 PRO A 77 7.558 2.596 1.396 1.00 10.00 H new ATOM 0 HD2 PRO A 77 9.766 4.513 2.100 1.00 10.00 H new ATOM 0 HD3 PRO A 77 8.106 4.857 1.655 1.00 10.00 H new ATOM 954 N LYS A 78 10.186 3.315 5.564 1.00 10.00 N ATOM 955 CA LYS A 78 11.085 3.173 6.702 1.00 10.00 C ATOM 956 C LYS A 78 10.495 3.788 7.976 1.00 10.00 C ATOM 957 O LYS A 78 10.677 3.255 9.072 1.00 10.00 O ATOM 958 CB LYS A 78 12.441 3.809 6.374 1.00 10.00 C ATOM 959 CG LYS A 78 13.433 3.801 7.532 1.00 10.00 C ATOM 960 CD LYS A 78 13.737 2.390 8.015 1.00 10.00 C ATOM 961 CE LYS A 78 14.399 1.549 6.935 1.00 10.00 C ATOM 962 NZ LYS A 78 14.744 0.189 7.421 1.00 10.00 N ATOM 0 H LYS A 78 10.465 4.030 4.892 1.00 10.00 H new ATOM 0 HA LYS A 78 11.222 2.109 6.893 1.00 10.00 H new ATOM 0 HB2 LYS A 78 12.882 3.281 5.529 1.00 10.00 H new ATOM 0 HB3 LYS A 78 12.279 4.839 6.056 1.00 10.00 H new ATOM 0 HG2 LYS A 78 14.359 4.284 7.219 1.00 10.00 H new ATOM 0 HG3 LYS A 78 13.031 4.388 8.358 1.00 10.00 H new ATOM 0 HD2 LYS A 78 14.389 2.438 8.888 1.00 10.00 H new ATOM 0 HD3 LYS A 78 12.812 1.909 8.334 1.00 10.00 H new ATOM 0 HE2 LYS A 78 13.731 1.469 6.078 1.00 10.00 H new ATOM 0 HE3 LYS A 78 15.303 2.050 6.589 1.00 10.00 H new ATOM 0 HZ1 LYS A 78 15.193 -0.350 6.653 1.00 10.00 H new ATOM 0 HZ2 LYS A 78 15.402 0.263 8.223 1.00 10.00 H new ATOM 0 HZ3 LYS A 78 13.879 -0.300 7.728 1.00 10.00 H new ATOM 976 N GLU A 79 9.777 4.894 7.839 1.00 10.00 N ATOM 977 CA GLU A 79 9.188 5.546 9.002 1.00 10.00 C ATOM 978 C GLU A 79 7.935 4.801 9.454 1.00 10.00 C ATOM 979 O GLU A 79 7.517 3.836 8.805 1.00 10.00 O ATOM 980 CB GLU A 79 8.884 7.024 8.721 1.00 10.00 C ATOM 981 CG GLU A 79 7.753 7.264 7.738 1.00 10.00 C ATOM 982 CD GLU A 79 7.573 8.731 7.416 1.00 10.00 C ATOM 983 OE1 GLU A 79 7.154 9.491 8.306 1.00 10.00 O ATOM 984 OE2 GLU A 79 7.858 9.132 6.269 1.00 10.00 O ATOM 0 H GLU A 79 9.590 5.354 6.948 1.00 10.00 H new ATOM 0 HA GLU A 79 9.916 5.513 9.813 1.00 10.00 H new ATOM 0 HB2 GLU A 79 8.639 7.516 9.662 1.00 10.00 H new ATOM 0 HB3 GLU A 79 9.787 7.500 8.338 1.00 10.00 H new ATOM 0 HG2 GLU A 79 7.952 6.714 6.818 1.00 10.00 H new ATOM 0 HG3 GLU A 79 6.825 6.869 8.152 1.00 10.00 H new ATOM 991 N LEU A 80 7.362 5.241 10.575 1.00 10.00 N ATOM 992 CA LEU A 80 6.167 4.627 11.166 1.00 10.00 C ATOM 993 C LEU A 80 6.509 3.286 11.817 1.00 10.00 C ATOM 994 O LEU A 80 6.259 3.083 13.006 1.00 10.00 O ATOM 995 CB LEU A 80 5.043 4.456 10.135 1.00 10.00 C ATOM 996 CG LEU A 80 4.381 5.756 9.666 1.00 10.00 C ATOM 997 CD1 LEU A 80 3.380 5.472 8.557 1.00 10.00 C ATOM 998 CD2 LEU A 80 3.695 6.457 10.831 1.00 10.00 C ATOM 0 H LEU A 80 7.715 6.039 11.104 1.00 10.00 H new ATOM 0 HA LEU A 80 5.804 5.305 11.938 1.00 10.00 H new ATOM 0 HB2 LEU A 80 5.446 3.939 9.265 1.00 10.00 H new ATOM 0 HB3 LEU A 80 4.276 3.810 10.562 1.00 10.00 H new ATOM 0 HG LEU A 80 5.156 6.415 9.274 1.00 10.00 H new ATOM 0 HD11 LEU A 80 2.919 6.406 8.235 1.00 10.00 H new ATOM 0 HD12 LEU A 80 3.893 5.011 7.713 1.00 10.00 H new ATOM 0 HD13 LEU A 80 2.610 4.795 8.927 1.00 10.00 H new ATOM 0 HD21 LEU A 80 3.231 7.378 10.479 1.00 10.00 H new ATOM 0 HD22 LEU A 80 2.931 5.803 11.250 1.00 10.00 H new ATOM 0 HD23 LEU A 80 4.432 6.693 11.599 1.00 10.00 H new ATOM 1010 N GLY A 81 7.095 2.382 11.042 1.00 10.00 N ATOM 1011 CA GLY A 81 7.473 1.089 11.574 1.00 10.00 C ATOM 1012 C GLY A 81 6.929 -0.064 10.759 1.00 10.00 C ATOM 1013 O GLY A 81 6.123 -0.848 11.252 1.00 10.00 O ATOM 0 H GLY A 81 7.315 2.522 10.056 1.00 10.00 H new ATOM 0 HA2 GLY A 81 8.560 1.020 11.611 1.00 10.00 H new ATOM 0 HA3 GLY A 81 7.113 1.004 12.599 1.00 10.00 H new ATOM 1017 N MET A 82 7.366 -0.168 9.509 1.00 10.00 N ATOM 1018 CA MET A 82 6.918 -1.246 8.631 1.00 10.00 C ATOM 1019 C MET A 82 7.888 -2.419 8.695 1.00 10.00 C ATOM 1020 O MET A 82 9.100 -2.225 8.797 1.00 10.00 O ATOM 1021 CB MET A 82 6.808 -0.760 7.183 1.00 10.00 C ATOM 1022 CG MET A 82 5.508 -0.044 6.856 1.00 10.00 C ATOM 1023 SD MET A 82 5.392 0.394 5.110 1.00 10.00 S ATOM 1024 CE MET A 82 3.793 1.201 5.076 1.00 10.00 C ATOM 0 H MET A 82 8.028 0.479 9.080 1.00 10.00 H new ATOM 0 HA MET A 82 5.934 -1.568 8.972 1.00 10.00 H new ATOM 0 HB2 MET A 82 7.641 -0.088 6.974 1.00 10.00 H new ATOM 0 HB3 MET A 82 6.914 -1.616 6.517 1.00 10.00 H new ATOM 0 HG2 MET A 82 4.666 -0.682 7.126 1.00 10.00 H new ATOM 0 HG3 MET A 82 5.430 0.859 7.461 1.00 10.00 H new ATOM 0 HE1 MET A 82 3.574 1.532 4.061 1.00 10.00 H new ATOM 0 HE2 MET A 82 3.025 0.500 5.403 1.00 10.00 H new ATOM 0 HE3 MET A 82 3.806 2.063 5.743 1.00 10.00 H new ATOM 1034 N GLU A 83 7.358 -3.630 8.646 1.00 10.00 N ATOM 1035 CA GLU A 83 8.185 -4.825 8.695 1.00 10.00 C ATOM 1036 C GLU A 83 7.716 -5.857 7.673 1.00 10.00 C ATOM 1037 O GLU A 83 6.700 -5.665 7.009 1.00 10.00 O ATOM 1038 CB GLU A 83 8.155 -5.431 10.098 1.00 10.00 C ATOM 1039 CG GLU A 83 9.477 -5.312 10.835 1.00 10.00 C ATOM 1040 CD GLU A 83 10.614 -5.981 10.093 1.00 10.00 C ATOM 1041 OE1 GLU A 83 10.480 -7.174 9.744 1.00 10.00 O ATOM 1042 OE2 GLU A 83 11.646 -5.322 9.851 1.00 10.00 O ATOM 0 H GLU A 83 6.357 -3.812 8.572 1.00 10.00 H new ATOM 0 HA GLU A 83 9.208 -4.539 8.450 1.00 10.00 H new ATOM 0 HB2 GLU A 83 7.377 -4.939 10.682 1.00 10.00 H new ATOM 0 HB3 GLU A 83 7.882 -6.484 10.025 1.00 10.00 H new ATOM 0 HG2 GLU A 83 9.714 -4.258 10.983 1.00 10.00 H new ATOM 0 HG3 GLU A 83 9.380 -5.759 11.824 1.00 10.00 H new ATOM 1049 N GLU A 84 8.470 -6.942 7.543 1.00 10.00 N ATOM 1050 CA GLU A 84 8.121 -8.010 6.612 1.00 10.00 C ATOM 1051 C GLU A 84 6.900 -8.758 7.131 1.00 10.00 C ATOM 1052 O GLU A 84 6.779 -8.982 8.339 1.00 10.00 O ATOM 1053 CB GLU A 84 9.306 -8.966 6.443 1.00 10.00 C ATOM 1054 CG GLU A 84 9.033 -10.146 5.516 1.00 10.00 C ATOM 1055 CD GLU A 84 8.903 -9.751 4.055 1.00 10.00 C ATOM 1056 OE1 GLU A 84 9.197 -8.587 3.711 1.00 10.00 O ATOM 1057 OE2 GLU A 84 8.517 -10.614 3.236 1.00 10.00 O ATOM 0 H GLU A 84 9.327 -7.106 8.070 1.00 10.00 H new ATOM 0 HA GLU A 84 7.884 -7.580 5.639 1.00 10.00 H new ATOM 0 HB2 GLU A 84 10.158 -8.406 6.058 1.00 10.00 H new ATOM 0 HB3 GLU A 84 9.593 -9.348 7.423 1.00 10.00 H new ATOM 0 HG2 GLU A 84 9.840 -10.872 5.618 1.00 10.00 H new ATOM 0 HG3 GLU A 84 8.116 -10.642 5.833 1.00 10.00 H new ATOM 1064 N GLU A 85 6.002 -9.131 6.218 1.00 10.00 N ATOM 1065 CA GLU A 85 4.772 -9.837 6.572 1.00 10.00 C ATOM 1066 C GLU A 85 3.885 -8.937 7.426 1.00 10.00 C ATOM 1067 O GLU A 85 3.173 -9.399 8.321 1.00 10.00 O ATOM 1068 CB GLU A 85 5.069 -11.152 7.304 1.00 10.00 C ATOM 1069 CG GLU A 85 5.636 -12.239 6.406 1.00 10.00 C ATOM 1070 CD GLU A 85 4.714 -12.593 5.258 1.00 10.00 C ATOM 1071 OE1 GLU A 85 4.832 -11.974 4.182 1.00 10.00 O ATOM 1072 OE2 GLU A 85 3.878 -13.506 5.418 1.00 10.00 O ATOM 0 H GLU A 85 6.106 -8.953 5.219 1.00 10.00 H new ATOM 0 HA GLU A 85 4.246 -10.087 5.651 1.00 10.00 H new ATOM 0 HB2 GLU A 85 5.774 -10.956 8.112 1.00 10.00 H new ATOM 0 HB3 GLU A 85 4.151 -11.516 7.764 1.00 10.00 H new ATOM 0 HG2 GLU A 85 6.596 -11.910 6.007 1.00 10.00 H new ATOM 0 HG3 GLU A 85 5.827 -13.132 7.001 1.00 10.00 H new ATOM 1079 N ASP A 86 3.934 -7.646 7.132 1.00 10.00 N ATOM 1080 CA ASP A 86 3.147 -6.660 7.856 1.00 10.00 C ATOM 1081 C ASP A 86 1.688 -6.731 7.422 1.00 10.00 C ATOM 1082 O ASP A 86 1.364 -7.375 6.425 1.00 10.00 O ATOM 1083 CB ASP A 86 3.702 -5.257 7.612 1.00 10.00 C ATOM 1084 CG ASP A 86 3.609 -4.375 8.840 1.00 10.00 C ATOM 1085 OD1 ASP A 86 2.481 -4.009 9.225 1.00 10.00 O ATOM 1086 OD2 ASP A 86 4.666 -4.043 9.418 1.00 10.00 O ATOM 0 H ASP A 86 4.516 -7.255 6.391 1.00 10.00 H new ATOM 0 HA ASP A 86 3.207 -6.879 8.922 1.00 10.00 H new ATOM 0 HB2 ASP A 86 4.744 -5.331 7.300 1.00 10.00 H new ATOM 0 HB3 ASP A 86 3.156 -4.791 6.792 1.00 10.00 H new ATOM 1091 N VAL A 87 0.814 -6.062 8.157 1.00 10.00 N ATOM 1092 CA VAL A 87 -0.608 -6.076 7.851 1.00 10.00 C ATOM 1093 C VAL A 87 -1.150 -4.657 7.700 1.00 10.00 C ATOM 1094 O VAL A 87 -0.974 -3.816 8.586 1.00 10.00 O ATOM 1095 CB VAL A 87 -1.407 -6.818 8.947 1.00 10.00 C ATOM 1096 CG1 VAL A 87 -2.899 -6.773 8.661 1.00 10.00 C ATOM 1097 CG2 VAL A 87 -0.930 -8.257 9.079 1.00 10.00 C ATOM 0 H VAL A 87 1.065 -5.501 8.971 1.00 10.00 H new ATOM 0 HA VAL A 87 -0.730 -6.605 6.906 1.00 10.00 H new ATOM 0 HB VAL A 87 -1.230 -6.308 9.894 1.00 10.00 H new ATOM 0 HG11 VAL A 87 -3.436 -7.302 9.448 1.00 10.00 H new ATOM 0 HG12 VAL A 87 -3.232 -5.736 8.629 1.00 10.00 H new ATOM 0 HG13 VAL A 87 -3.100 -7.249 7.701 1.00 10.00 H new ATOM 0 HG21 VAL A 87 -1.505 -8.761 9.856 1.00 10.00 H new ATOM 0 HG22 VAL A 87 -1.069 -8.775 8.130 1.00 10.00 H new ATOM 0 HG23 VAL A 87 0.127 -8.267 9.346 1.00 10.00 H new ATOM 1107 N ILE A 88 -1.800 -4.394 6.574 1.00 10.00 N ATOM 1108 CA ILE A 88 -2.372 -3.084 6.307 1.00 10.00 C ATOM 1109 C ILE A 88 -3.816 -3.231 5.824 1.00 10.00 C ATOM 1110 O ILE A 88 -4.164 -4.216 5.165 1.00 10.00 O ATOM 1111 CB ILE A 88 -1.526 -2.302 5.272 1.00 10.00 C ATOM 1112 CG1 ILE A 88 -2.025 -0.860 5.138 1.00 10.00 C ATOM 1113 CG2 ILE A 88 -1.535 -3.000 3.921 1.00 10.00 C ATOM 1114 CD1 ILE A 88 -1.034 0.069 4.468 1.00 10.00 C ATOM 0 H ILE A 88 -1.944 -5.075 5.829 1.00 10.00 H new ATOM 0 HA ILE A 88 -2.367 -2.513 7.236 1.00 10.00 H new ATOM 0 HB ILE A 88 -0.498 -2.276 5.632 1.00 10.00 H new ATOM 0 HG12 ILE A 88 -2.954 -0.858 4.568 1.00 10.00 H new ATOM 0 HG13 ILE A 88 -2.259 -0.473 6.130 1.00 10.00 H new ATOM 0 HG21 ILE A 88 -0.934 -2.430 3.213 1.00 10.00 H new ATOM 0 HG22 ILE A 88 -1.119 -4.002 4.026 1.00 10.00 H new ATOM 0 HG23 ILE A 88 -2.559 -3.069 3.554 1.00 10.00 H new ATOM 0 HD11 ILE A 88 -1.458 1.072 4.409 1.00 10.00 H new ATOM 0 HD12 ILE A 88 -0.112 0.098 5.049 1.00 10.00 H new ATOM 0 HD13 ILE A 88 -0.818 -0.293 3.463 1.00 10.00 H new ATOM 1126 N GLU A 89 -4.660 -2.271 6.176 1.00 10.00 N ATOM 1127 CA GLU A 89 -6.062 -2.308 5.789 1.00 10.00 C ATOM 1128 C GLU A 89 -6.357 -1.277 4.708 1.00 10.00 C ATOM 1129 O GLU A 89 -5.856 -0.154 4.755 1.00 10.00 O ATOM 1130 CB GLU A 89 -6.955 -2.045 7.003 1.00 10.00 C ATOM 1131 CG GLU A 89 -6.676 -2.967 8.178 1.00 10.00 C ATOM 1132 CD GLU A 89 -7.617 -2.726 9.337 1.00 10.00 C ATOM 1133 OE1 GLU A 89 -8.628 -3.451 9.449 1.00 10.00 O ATOM 1134 OE2 GLU A 89 -7.352 -1.807 10.141 1.00 10.00 O ATOM 0 H GLU A 89 -4.397 -1.456 6.730 1.00 10.00 H new ATOM 0 HA GLU A 89 -6.273 -3.301 5.392 1.00 10.00 H new ATOM 0 HB2 GLU A 89 -6.822 -1.012 7.324 1.00 10.00 H new ATOM 0 HB3 GLU A 89 -7.998 -2.155 6.706 1.00 10.00 H new ATOM 0 HG2 GLU A 89 -6.764 -4.003 7.852 1.00 10.00 H new ATOM 0 HG3 GLU A 89 -5.648 -2.824 8.512 1.00 10.00 H new ATOM 1141 N VAL A 90 -7.163 -1.664 3.732 1.00 10.00 N ATOM 1142 CA VAL A 90 -7.532 -0.767 2.650 1.00 10.00 C ATOM 1143 C VAL A 90 -9.050 -0.621 2.576 1.00 10.00 C ATOM 1144 O VAL A 90 -9.776 -1.609 2.453 1.00 10.00 O ATOM 1145 CB VAL A 90 -6.971 -1.250 1.288 1.00 10.00 C ATOM 1146 CG1 VAL A 90 -7.351 -2.697 1.013 1.00 10.00 C ATOM 1147 CG2 VAL A 90 -7.447 -0.346 0.159 1.00 10.00 C ATOM 0 H VAL A 90 -7.574 -2.595 3.668 1.00 10.00 H new ATOM 0 HA VAL A 90 -7.090 0.206 2.863 1.00 10.00 H new ATOM 0 HB VAL A 90 -5.884 -1.196 1.339 1.00 10.00 H new ATOM 0 HG11 VAL A 90 -6.942 -3.004 0.050 1.00 10.00 H new ATOM 0 HG12 VAL A 90 -6.947 -3.335 1.799 1.00 10.00 H new ATOM 0 HG13 VAL A 90 -8.437 -2.790 0.992 1.00 10.00 H new ATOM 0 HG21 VAL A 90 -7.042 -0.703 -0.788 1.00 10.00 H new ATOM 0 HG22 VAL A 90 -8.536 -0.360 0.116 1.00 10.00 H new ATOM 0 HG23 VAL A 90 -7.104 0.673 0.340 1.00 10.00 H new ATOM 1157 N TYR A 91 -9.526 0.611 2.681 1.00 10.00 N ATOM 1158 CA TYR A 91 -10.958 0.877 2.626 1.00 10.00 C ATOM 1159 C TYR A 91 -11.246 2.053 1.709 1.00 10.00 C ATOM 1160 O TYR A 91 -10.443 2.978 1.607 1.00 10.00 O ATOM 1161 CB TYR A 91 -11.502 1.169 4.027 1.00 10.00 C ATOM 1162 CG TYR A 91 -11.607 -0.057 4.903 1.00 10.00 C ATOM 1163 CD1 TYR A 91 -12.620 -0.984 4.705 1.00 10.00 C ATOM 1164 CD2 TYR A 91 -10.691 -0.290 5.919 1.00 10.00 C ATOM 1165 CE1 TYR A 91 -12.721 -2.109 5.498 1.00 10.00 C ATOM 1166 CE2 TYR A 91 -10.785 -1.415 6.718 1.00 10.00 C ATOM 1167 CZ TYR A 91 -11.802 -2.322 6.501 1.00 10.00 C ATOM 1168 OH TYR A 91 -11.900 -3.447 7.292 1.00 10.00 O ATOM 0 H TYR A 91 -8.945 1.440 2.804 1.00 10.00 H new ATOM 0 HA TYR A 91 -11.454 -0.010 2.231 1.00 10.00 H new ATOM 0 HB2 TYR A 91 -10.855 1.899 4.514 1.00 10.00 H new ATOM 0 HB3 TYR A 91 -12.487 1.626 3.937 1.00 10.00 H new ATOM 0 HD1 TYR A 91 -13.341 -0.823 3.918 1.00 10.00 H new ATOM 0 HD2 TYR A 91 -9.893 0.418 6.088 1.00 10.00 H new ATOM 0 HE1 TYR A 91 -13.518 -2.819 5.333 1.00 10.00 H new ATOM 0 HE2 TYR A 91 -10.067 -1.583 7.507 1.00 10.00 H new ATOM 0 HH TYR A 91 -11.175 -3.448 7.951 1.00 10.00 H new ATOM 1178 N GLN A 92 -12.383 2.012 1.034 1.00 10.00 N ATOM 1179 CA GLN A 92 -12.771 3.084 0.136 1.00 10.00 C ATOM 1180 C GLN A 92 -13.190 4.313 0.933 1.00 10.00 C ATOM 1181 O GLN A 92 -13.837 4.199 1.976 1.00 10.00 O ATOM 1182 CB GLN A 92 -13.918 2.633 -0.769 1.00 10.00 C ATOM 1183 CG GLN A 92 -14.075 3.487 -2.017 1.00 10.00 C ATOM 1184 CD GLN A 92 -15.519 3.619 -2.461 1.00 10.00 C ATOM 1185 OE1 GLN A 92 -16.026 2.805 -3.234 1.00 10.00 O ATOM 1186 NE2 GLN A 92 -16.192 4.650 -1.977 1.00 10.00 N ATOM 0 H GLN A 92 -13.054 1.246 1.092 1.00 10.00 H new ATOM 0 HA GLN A 92 -11.914 3.341 -0.486 1.00 10.00 H new ATOM 0 HB2 GLN A 92 -13.751 1.597 -1.065 1.00 10.00 H new ATOM 0 HB3 GLN A 92 -14.849 2.657 -0.202 1.00 10.00 H new ATOM 0 HG2 GLN A 92 -13.666 4.479 -1.826 1.00 10.00 H new ATOM 0 HG3 GLN A 92 -13.489 3.051 -2.826 1.00 10.00 H new ATOM 0 HE21 GLN A 92 -15.736 5.302 -1.339 1.00 10.00 H new ATOM 0 HE22 GLN A 92 -17.167 4.793 -2.242 1.00 10.00 H new ATOM 1195 N GLU A 93 -12.808 5.483 0.446 1.00 10.00 N ATOM 1196 CA GLU A 93 -13.143 6.732 1.102 1.00 10.00 C ATOM 1197 C GLU A 93 -14.579 7.133 0.802 1.00 10.00 C ATOM 1198 O GLU A 93 -15.144 6.744 -0.224 1.00 10.00 O ATOM 1199 CB GLU A 93 -12.186 7.838 0.654 1.00 10.00 C ATOM 1200 CG GLU A 93 -10.922 7.914 1.490 1.00 10.00 C ATOM 1201 CD GLU A 93 -11.161 8.525 2.857 1.00 10.00 C ATOM 1202 OE1 GLU A 93 -12.165 8.170 3.514 1.00 10.00 O ATOM 1203 OE2 GLU A 93 -10.343 9.361 3.284 1.00 10.00 O ATOM 0 H GLU A 93 -12.261 5.591 -0.408 1.00 10.00 H new ATOM 0 HA GLU A 93 -13.043 6.589 2.178 1.00 10.00 H new ATOM 0 HB2 GLU A 93 -11.914 7.673 -0.389 1.00 10.00 H new ATOM 0 HB3 GLU A 93 -12.702 8.797 0.701 1.00 10.00 H new ATOM 0 HG2 GLU A 93 -10.511 6.912 1.611 1.00 10.00 H new ATOM 0 HG3 GLU A 93 -10.175 8.503 0.959 1.00 10.00 H new ATOM 1210 N GLN A 94 -15.156 7.924 1.693 1.00 10.00 N ATOM 1211 CA GLN A 94 -16.528 8.387 1.535 1.00 10.00 C ATOM 1212 C GLN A 94 -16.608 9.440 0.435 1.00 10.00 C ATOM 1213 O GLN A 94 -17.687 9.743 -0.078 1.00 10.00 O ATOM 1214 CB GLN A 94 -17.046 8.958 2.857 1.00 10.00 C ATOM 1215 CG GLN A 94 -18.551 9.174 2.892 1.00 10.00 C ATOM 1216 CD GLN A 94 -18.993 9.962 4.109 1.00 10.00 C ATOM 1217 OE1 GLN A 94 -18.247 10.788 4.631 1.00 10.00 O ATOM 1218 NE2 GLN A 94 -20.205 9.711 4.570 1.00 10.00 N ATOM 0 H GLN A 94 -14.694 8.261 2.538 1.00 10.00 H new ATOM 0 HA GLN A 94 -17.153 7.541 1.250 1.00 10.00 H new ATOM 0 HB2 GLN A 94 -16.768 8.283 3.666 1.00 10.00 H new ATOM 0 HB3 GLN A 94 -16.549 9.909 3.050 1.00 10.00 H new ATOM 0 HG2 GLN A 94 -18.861 9.700 1.989 1.00 10.00 H new ATOM 0 HG3 GLN A 94 -19.054 8.207 2.886 1.00 10.00 H new ATOM 0 HE21 GLN A 94 -20.793 9.018 4.108 1.00 10.00 H new ATOM 0 HE22 GLN A 94 -20.553 10.211 5.388 1.00 10.00 H new ATOM 1227 N THR A 95 -15.455 9.985 0.073 1.00 10.00 N ATOM 1228 CA THR A 95 -15.366 10.999 -0.967 1.00 10.00 C ATOM 1229 C THR A 95 -15.398 10.371 -2.358 1.00 10.00 C ATOM 1230 O THR A 95 -15.425 11.073 -3.368 1.00 10.00 O ATOM 1231 CB THR A 95 -14.072 11.811 -0.809 1.00 10.00 C ATOM 1232 OG1 THR A 95 -13.223 11.172 0.158 1.00 10.00 O ATOM 1233 CG2 THR A 95 -14.377 13.233 -0.365 1.00 10.00 C ATOM 0 H THR A 95 -14.558 9.737 0.491 1.00 10.00 H new ATOM 0 HA THR A 95 -16.229 11.657 -0.861 1.00 10.00 H new ATOM 0 HB THR A 95 -13.566 11.854 -1.774 1.00 10.00 H new ATOM 0 HG1 THR A 95 -12.396 11.688 0.259 1.00 10.00 H new ATOM 0 HG21 THR A 95 -13.445 13.789 -0.260 1.00 10.00 H new ATOM 0 HG22 THR A 95 -15.008 13.719 -1.109 1.00 10.00 H new ATOM 0 HG23 THR A 95 -14.897 13.212 0.593 1.00 10.00 H new ATOM 1241 N GLY A 96 -15.393 9.045 -2.402 1.00 10.00 N ATOM 1242 CA GLY A 96 -15.421 8.342 -3.667 1.00 10.00 C ATOM 1243 C GLY A 96 -14.070 8.337 -4.347 1.00 10.00 C ATOM 1244 O GLY A 96 -13.239 7.471 -4.081 1.00 10.00 O ATOM 0 H GLY A 96 -15.370 8.443 -1.579 1.00 10.00 H new ATOM 0 HA2 GLY A 96 -15.747 7.315 -3.503 1.00 10.00 H new ATOM 0 HA3 GLY A 96 -16.155 8.809 -4.324 1.00 10.00 H new ATOM 1248 N GLY A 97 -13.843 9.317 -5.209 1.00 10.00 N ATOM 1249 CA GLY A 97 -12.582 9.410 -5.918 1.00 10.00 C ATOM 1250 C GLY A 97 -11.464 9.941 -5.042 1.00 10.00 C ATOM 1251 O GLY A 97 -11.564 11.043 -4.488 1.00 10.00 O ATOM 0 H GLY A 97 -14.513 10.053 -5.431 1.00 10.00 H new ATOM 0 HA2 GLY A 97 -12.307 8.425 -6.296 1.00 10.00 H new ATOM 0 HA3 GLY A 97 -12.702 10.061 -6.784 1.00 10.00 H new TER 1255 GLY A 97 ATOM 1256 N ASP B 195 -7.573 -20.752 -3.730 1.00 10.00 N ATOM 1257 CA ASP B 195 -7.699 -19.300 -3.740 1.00 10.00 C ATOM 1258 C ASP B 195 -6.644 -18.698 -4.663 1.00 10.00 C ATOM 1259 O ASP B 195 -5.746 -19.404 -5.124 1.00 10.00 O ATOM 1260 CB ASP B 195 -7.539 -18.735 -2.327 1.00 10.00 C ATOM 1261 CG ASP B 195 -8.379 -17.488 -2.102 1.00 10.00 C ATOM 1262 OD1 ASP B 195 -9.227 -17.498 -1.186 1.00 10.00 O ATOM 1263 OD2 ASP B 195 -8.203 -16.496 -2.840 1.00 10.00 O ATOM 0 HA ASP B 195 -8.692 -19.039 -4.106 1.00 10.00 H new ATOM 0 HB2 ASP B 195 -7.822 -19.496 -1.600 1.00 10.00 H new ATOM 0 HB3 ASP B 195 -6.490 -18.500 -2.150 1.00 10.00 H new ATOM 1268 N THR B 196 -6.750 -17.406 -4.919 1.00 10.00 N ATOM 1269 CA THR B 196 -5.823 -16.711 -5.795 1.00 10.00 C ATOM 1270 C THR B 196 -5.111 -15.572 -5.065 1.00 10.00 C ATOM 1271 O THR B 196 -5.741 -14.749 -4.400 1.00 10.00 O ATOM 1272 CB THR B 196 -6.547 -16.173 -7.047 1.00 10.00 C ATOM 1273 OG1 THR B 196 -7.197 -17.259 -7.728 1.00 10.00 O ATOM 1274 CG2 THR B 196 -5.581 -15.481 -8.001 1.00 10.00 C ATOM 0 H THR B 196 -7.479 -16.810 -4.527 1.00 10.00 H new ATOM 0 HA THR B 196 -5.070 -17.433 -6.111 1.00 10.00 H new ATOM 0 HB THR B 196 -7.283 -15.438 -6.721 1.00 10.00 H new ATOM 0 HG1 THR B 196 -7.658 -16.918 -8.522 1.00 10.00 H new ATOM 0 HG21 THR B 196 -6.127 -15.116 -8.870 1.00 10.00 H new ATOM 0 HG22 THR B 196 -5.106 -14.642 -7.492 1.00 10.00 H new ATOM 0 HG23 THR B 196 -4.818 -16.189 -8.324 1.00 10.00 H new ATOM 1282 N ALA B 197 -3.797 -15.530 -5.215 1.00 10.00 N ATOM 1283 CA ALA B 197 -2.975 -14.515 -4.586 1.00 10.00 C ATOM 1284 C ALA B 197 -2.307 -13.667 -5.654 1.00 10.00 C ATOM 1285 O ALA B 197 -1.759 -14.193 -6.622 1.00 10.00 O ATOM 1286 CB ALA B 197 -1.939 -15.153 -3.668 1.00 10.00 C ATOM 0 H ALA B 197 -3.272 -16.200 -5.777 1.00 10.00 H new ATOM 0 HA ALA B 197 -3.608 -13.873 -3.973 1.00 10.00 H new ATOM 0 HB1 ALA B 197 -1.333 -14.374 -3.206 1.00 10.00 H new ATOM 0 HB2 ALA B 197 -2.445 -15.727 -2.892 1.00 10.00 H new ATOM 0 HB3 ALA B 197 -1.297 -15.815 -4.249 1.00 10.00 H new ATOM 1292 N GLY B 198 -2.363 -12.360 -5.478 1.00 10.00 N ATOM 1293 CA GLY B 198 -1.794 -11.446 -6.447 1.00 10.00 C ATOM 1294 C GLY B 198 -0.651 -10.644 -5.872 1.00 10.00 C ATOM 1295 O GLY B 198 -0.740 -10.135 -4.754 1.00 10.00 O ATOM 0 H GLY B 198 -2.797 -11.909 -4.673 1.00 10.00 H new ATOM 0 HA2 GLY B 198 -1.442 -12.009 -7.312 1.00 10.00 H new ATOM 0 HA3 GLY B 198 -2.569 -10.767 -6.803 1.00 10.00 H new ATOM 1299 N CYS B 199 0.430 -10.548 -6.634 1.00 10.00 N ATOM 1300 CA CYS B 199 1.607 -9.822 -6.185 1.00 10.00 C ATOM 1301 C CYS B 199 1.856 -8.611 -7.070 1.00 10.00 C ATOM 1302 O CYS B 199 1.851 -8.710 -8.295 1.00 10.00 O ATOM 1303 CB CYS B 199 2.827 -10.743 -6.223 1.00 10.00 C ATOM 1304 SG CYS B 199 2.478 -12.451 -5.737 1.00 10.00 S ATOM 0 H CYS B 199 0.515 -10.962 -7.562 1.00 10.00 H new ATOM 0 HA CYS B 199 1.437 -9.482 -5.164 1.00 10.00 H new ATOM 0 HB2 CYS B 199 3.239 -10.741 -7.232 1.00 10.00 H new ATOM 0 HB3 CYS B 199 3.595 -10.339 -5.564 1.00 10.00 H new ATOM 0 HG CYS B 199 3.570 -13.153 -5.803 1.00 10.00 H new ATOM 1310 N ILE B 200 2.044 -7.462 -6.438 1.00 10.00 N ATOM 1311 CA ILE B 200 2.285 -6.227 -7.162 1.00 10.00 C ATOM 1312 C ILE B 200 3.634 -5.626 -6.780 1.00 10.00 C ATOM 1313 O ILE B 200 3.943 -5.460 -5.598 1.00 10.00 O ATOM 1314 CB ILE B 200 1.142 -5.213 -6.914 1.00 10.00 C ATOM 1315 CG1 ILE B 200 1.544 -3.789 -7.330 1.00 10.00 C ATOM 1316 CG2 ILE B 200 0.700 -5.233 -5.454 1.00 10.00 C ATOM 1317 CD1 ILE B 200 0.398 -2.805 -7.240 1.00 10.00 C ATOM 0 H ILE B 200 2.034 -7.361 -5.423 1.00 10.00 H new ATOM 0 HA ILE B 200 2.308 -6.459 -8.227 1.00 10.00 H new ATOM 0 HB ILE B 200 0.301 -5.519 -7.537 1.00 10.00 H new ATOM 0 HG12 ILE B 200 2.361 -3.447 -6.695 1.00 10.00 H new ATOM 0 HG13 ILE B 200 1.922 -3.807 -8.352 1.00 10.00 H new ATOM 0 HG21 ILE B 200 -0.104 -4.512 -5.307 1.00 10.00 H new ATOM 0 HG22 ILE B 200 0.344 -6.230 -5.195 1.00 10.00 H new ATOM 0 HG23 ILE B 200 1.543 -4.971 -4.815 1.00 10.00 H new ATOM 0 HD11 ILE B 200 0.742 -1.817 -7.546 1.00 10.00 H new ATOM 0 HD12 ILE B 200 -0.410 -3.127 -7.896 1.00 10.00 H new ATOM 0 HD13 ILE B 200 0.036 -2.761 -6.213 1.00 10.00 H new ATOM 1329 N VAL B 201 4.434 -5.314 -7.789 1.00 10.00 N ATOM 1330 CA VAL B 201 5.750 -4.741 -7.571 1.00 10.00 C ATOM 1331 C VAL B 201 5.853 -3.375 -8.249 1.00 10.00 C ATOM 1332 O VAL B 201 5.466 -3.203 -9.407 1.00 10.00 O ATOM 1333 CB VAL B 201 6.875 -5.679 -8.062 1.00 10.00 C ATOM 1334 CG1 VAL B 201 6.841 -5.847 -9.579 1.00 10.00 C ATOM 1335 CG2 VAL B 201 8.233 -5.175 -7.596 1.00 10.00 C ATOM 0 H VAL B 201 4.191 -5.450 -8.770 1.00 10.00 H new ATOM 0 HA VAL B 201 5.881 -4.613 -6.496 1.00 10.00 H new ATOM 0 HB VAL B 201 6.706 -6.662 -7.623 1.00 10.00 H new ATOM 0 HG11 VAL B 201 7.646 -6.513 -9.889 1.00 10.00 H new ATOM 0 HG12 VAL B 201 5.883 -6.273 -9.877 1.00 10.00 H new ATOM 0 HG13 VAL B 201 6.970 -4.875 -10.056 1.00 10.00 H new ATOM 0 HG21 VAL B 201 9.013 -5.849 -7.952 1.00 10.00 H new ATOM 0 HG22 VAL B 201 8.407 -4.176 -7.995 1.00 10.00 H new ATOM 0 HG23 VAL B 201 8.254 -5.139 -6.507 1.00 10.00 H new ATOM 1345 N ILE B 202 6.329 -2.402 -7.504 1.00 10.00 N ATOM 1346 CA ILE B 202 6.475 -1.045 -7.993 1.00 10.00 C ATOM 1347 C ILE B 202 7.935 -0.602 -7.913 1.00 10.00 C ATOM 1348 O ILE B 202 8.621 -0.884 -6.931 1.00 10.00 O ATOM 1349 CB ILE B 202 5.525 -0.057 -7.240 1.00 10.00 C ATOM 1350 CG1 ILE B 202 6.282 1.061 -6.511 1.00 10.00 C ATOM 1351 CG2 ILE B 202 4.653 -0.802 -6.242 1.00 10.00 C ATOM 1352 CD1 ILE B 202 6.661 2.226 -7.388 1.00 10.00 C ATOM 0 H ILE B 202 6.628 -2.528 -6.537 1.00 10.00 H new ATOM 0 HA ILE B 202 6.177 -1.028 -9.041 1.00 10.00 H new ATOM 0 HB ILE B 202 4.904 0.406 -8.006 1.00 10.00 H new ATOM 0 HG12 ILE B 202 5.666 1.425 -5.689 1.00 10.00 H new ATOM 0 HG13 ILE B 202 7.187 0.643 -6.070 1.00 10.00 H new ATOM 0 HG21 ILE B 202 4.000 -0.095 -5.730 1.00 10.00 H new ATOM 0 HG22 ILE B 202 4.047 -1.540 -6.768 1.00 10.00 H new ATOM 0 HG23 ILE B 202 5.286 -1.306 -5.512 1.00 10.00 H new ATOM 0 HD11 ILE B 202 7.192 2.970 -6.795 1.00 10.00 H new ATOM 0 HD12 ILE B 202 7.305 1.879 -8.196 1.00 10.00 H new ATOM 0 HD13 ILE B 202 5.760 2.673 -7.809 1.00 10.00 H new HETATM 1364 N SEP B 203 8.429 0.058 -8.955 1.00 10.00 N HETATM 1365 CA SEP B 203 9.796 0.510 -8.926 1.00 10.00 C HETATM 1366 CB SEP B 203 10.497 0.003 -10.175 1.00 10.00 C HETATM 1367 OG SEP B 203 11.873 0.326 -10.180 1.00 10.00 O HETATM 1368 C SEP B 203 9.837 2.013 -8.897 1.00 10.00 C HETATM 1369 O SEP B 203 9.398 2.695 -9.822 1.00 10.00 O HETATM 1370 P SEP B 203 12.912 -0.616 -9.428 1.00 10.00 P HETATM 1371 O1P SEP B 203 14.136 -0.895 -10.202 1.00 10.00 O HETATM 1372 O2P SEP B 203 12.317 -1.814 -8.807 1.00 10.00 O HETATM 1373 O3P SEP B 203 13.418 0.260 -8.194 1.00 10.00 O HETATM 0 HB3 SEP B 203 10.379 -1.078 -10.243 1.00 10.00 H new HETATM 0 HB2 SEP B 203 10.021 0.432 -11.057 1.00 10.00 H new HETATM 0 HA SEP B 203 10.295 0.129 -8.035 1.00 10.00 H new HETATM 0 H SEP B 203 8.095 -0.505 -9.737 1.00 10.00 H new ATOM 1378 N ASP B 204 10.340 2.509 -7.787 1.00 10.00 N ATOM 1379 CA ASP B 204 10.477 3.925 -7.562 1.00 10.00 C ATOM 1380 C ASP B 204 11.834 4.272 -6.950 1.00 10.00 C ATOM 1381 O ASP B 204 12.282 3.598 -6.027 1.00 10.00 O ATOM 1382 CB ASP B 204 9.340 4.418 -6.713 1.00 10.00 C ATOM 1383 CG ASP B 204 9.212 5.913 -6.763 1.00 10.00 C ATOM 1384 OD1 ASP B 204 8.912 6.512 -5.724 1.00 10.00 O ATOM 1385 OD2 ASP B 204 9.410 6.494 -7.854 1.00 10.00 O ATOM 0 H ASP B 204 10.667 1.933 -7.011 1.00 10.00 H new ATOM 0 HA ASP B 204 10.434 4.434 -8.525 1.00 10.00 H new ATOM 0 HB2 ASP B 204 8.410 3.962 -7.052 1.00 10.00 H new ATOM 0 HB3 ASP B 204 9.493 4.101 -5.681 1.00 10.00 H new HETATM 1390 N SEP B 205 12.513 5.280 -7.463 1.00 10.00 N HETATM 1391 CA SEP B 205 13.819 5.659 -6.914 1.00 10.00 C HETATM 1392 CB SEP B 205 14.916 5.371 -7.890 1.00 10.00 C HETATM 1393 OG SEP B 205 16.036 4.808 -7.218 1.00 10.00 O HETATM 1394 C SEP B 205 13.935 7.118 -6.500 1.00 10.00 C HETATM 1395 O SEP B 205 13.529 8.015 -7.236 1.00 10.00 O HETATM 1396 P SEP B 205 17.464 4.780 -7.915 1.00 10.00 P HETATM 1397 O1P SEP B 205 17.922 6.310 -7.954 1.00 10.00 O HETATM 1398 O2P SEP B 205 17.434 4.373 -9.329 1.00 10.00 O HETATM 1399 O3P SEP B 205 18.498 4.104 -7.117 1.00 10.00 O HETATM 0 HB3 SEP B 205 14.559 4.683 -8.657 1.00 10.00 H new HETATM 0 HB2 SEP B 205 15.211 6.289 -8.398 1.00 10.00 H new HETATM 0 HA SEP B 205 13.916 5.052 -6.014 1.00 10.00 H new ATOM 1404 N GLU B 206 14.502 7.350 -5.326 1.00 10.00 N ATOM 1405 CA GLU B 206 14.735 8.709 -4.853 1.00 10.00 C ATOM 1406 C GLU B 206 16.137 9.170 -5.257 1.00 10.00 C ATOM 1407 O GLU B 206 17.140 8.501 -4.967 1.00 10.00 O ATOM 1408 CB GLU B 206 14.566 8.801 -3.332 1.00 10.00 C ATOM 1409 CG GLU B 206 14.839 10.190 -2.766 1.00 10.00 C ATOM 1410 CD GLU B 206 13.827 11.229 -3.215 1.00 10.00 C ATOM 1411 OE1 GLU B 206 14.004 11.812 -4.309 1.00 10.00 O ATOM 1412 OE2 GLU B 206 12.850 11.469 -2.478 1.00 10.00 O ATOM 0 H GLU B 206 14.809 6.619 -4.684 1.00 10.00 H new ATOM 0 HA GLU B 206 13.995 9.363 -5.315 1.00 10.00 H new ATOM 0 HB2 GLU B 206 13.550 8.505 -3.070 1.00 10.00 H new ATOM 0 HB3 GLU B 206 15.238 8.087 -2.857 1.00 10.00 H new ATOM 0 HG2 GLU B 206 14.838 10.138 -1.677 1.00 10.00 H new ATOM 0 HG3 GLU B 206 15.836 10.509 -3.069 1.00 10.00 H new TER 1419 GLU B 206