USER MOD reduce.3.24.130724 H: found=0, std=0, add=867, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 864 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 7 SER OG : rot 180:sc= -0.064 USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.302 USER MOD Single : A 19 ASN : amide:sc= -2.15 X(o=-2.2,f=-2.1!) USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.0717 USER MOD Single : A 22 GLN : amide:sc= -0.787 K(o=-0.79,f=-1.6) USER MOD Single : A 23 ASN : amide:sc= -0.0276 K(o=-0.028,f=-1.9!) USER MOD Single : A 24 GLN : amide:sc= -2.33 K(o=-2.3,f=-6.7!) USER MOD Single : A 25 LYS NZ :NH3+ 164:sc= -0.0145 (180deg=-0.223) USER MOD Single : A 30 ASN : amide:sc= -0.271 X(o=-0.27,f=-0.0062) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl 135:sc= -0.201 (180deg=-1.31) USER MOD Single : A 36 SER OG : rot 180:sc= -0.503 USER MOD Single : A 38 ASN :FLIP amide:sc= -0.222 F(o=-1.2!,f=-0.22) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.00415 USER MOD Single : A 43 MET CE :methyl -149:sc= -0.346 (180deg=-2.04!) USER MOD Single : A 44 TYR OH : rot -30:sc= -2.69! USER MOD Single : A 50 SER OG : rot -78:sc= 1.09 USER MOD Single : A 53 ASN :FLIP amide:sc= 0.525 F(o=-0.5,f=0.52) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= -0.613 K(o=-0.61,f=-1.6!) USER MOD Single : A 66 MET CE :methyl -179:sc= -1.03 (180deg=-1.04) USER MOD Single : A 68 SER OG : rot 72:sc= 0.802 USER MOD Single : A 73 HIS : no HE2:sc= -10! C(o=-10!,f=-17!) USER MOD Single : A 74 LYS NZ :NH3+ -151:sc= 0 (180deg=-0.0312) USER MOD Single : A 76 SER OG : rot 180:sc= -0.221 USER MOD Single : A 79 GLN :FLIP amide:sc= 0 F(o=-1.2!,f=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot -47:sc= 0.474 USER MOD Single : A 84 HIS : no HD1:sc= -2.69! C(o=-2.7!,f=-5!) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 GLN :FLIP amide:sc= 0 F(o=-1.6!,f=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 HIS : no HD1:sc= -3.96 X(o=-4,f=-4.3!) USER MOD Single : A 104 LYS NZ :NH3+ 167:sc=-0.000987 (180deg=-0.101) USER MOD Single : A 105 LYS NZ :NH3+ 163:sc= -0.0421 (180deg=-0.399) USER MOD Single : A 113 ASN : amide:sc= -0.0633 K(o=-0.063,f=-2.1!) USER MOD ----------------------------------------------------------------- ATOM 57 N PRO A 5 18.376 4.593 3.474 1.00 0.00 N ATOM 58 CA PRO A 5 18.024 5.376 2.251 1.00 0.00 C ATOM 59 C PRO A 5 16.681 4.925 1.632 1.00 0.00 C ATOM 60 O PRO A 5 16.173 3.870 1.955 1.00 0.00 O ATOM 61 CB PRO A 5 19.210 5.077 1.313 1.00 0.00 C ATOM 62 CG PRO A 5 19.977 3.876 1.891 1.00 0.00 C ATOM 63 CD PRO A 5 19.605 3.749 3.377 1.00 0.00 C ATOM 0 HA PRO A 5 17.881 6.438 2.451 1.00 0.00 H new ATOM 0 HB2 PRO A 5 18.854 4.854 0.307 1.00 0.00 H new ATOM 0 HB3 PRO A 5 19.864 5.946 1.235 1.00 0.00 H new ATOM 0 HG2 PRO A 5 19.718 2.964 1.354 1.00 0.00 H new ATOM 0 HG3 PRO A 5 21.052 4.019 1.778 1.00 0.00 H new ATOM 0 HD2 PRO A 5 19.411 2.714 3.660 1.00 0.00 H new ATOM 0 HD3 PRO A 5 20.400 4.113 4.027 1.00 0.00 H new ATOM 71 N PRO A 6 16.108 5.723 0.753 1.00 0.00 N ATOM 72 CA PRO A 6 14.804 5.370 0.112 1.00 0.00 C ATOM 73 C PRO A 6 14.850 4.036 -0.652 1.00 0.00 C ATOM 74 O PRO A 6 13.929 3.245 -0.589 1.00 0.00 O ATOM 75 CB PRO A 6 14.570 6.554 -0.852 1.00 0.00 C ATOM 76 CG PRO A 6 15.814 7.464 -0.825 1.00 0.00 C ATOM 77 CD PRO A 6 16.713 7.022 0.341 1.00 0.00 C ATOM 0 HA PRO A 6 14.010 5.227 0.845 1.00 0.00 H new ATOM 0 HB2 PRO A 6 14.391 6.189 -1.863 1.00 0.00 H new ATOM 0 HB3 PRO A 6 13.684 7.115 -0.554 1.00 0.00 H new ATOM 0 HG2 PRO A 6 16.355 7.395 -1.769 1.00 0.00 H new ATOM 0 HG3 PRO A 6 15.519 8.506 -0.703 1.00 0.00 H new ATOM 0 HD2 PRO A 6 17.751 6.904 0.029 1.00 0.00 H new ATOM 0 HD3 PRO A 6 16.706 7.747 1.155 1.00 0.00 H new ATOM 85 N SER A 7 15.901 3.787 -1.378 1.00 0.00 N ATOM 86 CA SER A 7 15.984 2.514 -2.150 1.00 0.00 C ATOM 87 C SER A 7 15.908 1.333 -1.186 1.00 0.00 C ATOM 88 O SER A 7 15.280 0.330 -1.463 1.00 0.00 O ATOM 89 CB SER A 7 17.307 2.460 -2.917 1.00 0.00 C ATOM 90 OG SER A 7 18.386 2.417 -1.991 1.00 0.00 O ATOM 0 H SER A 7 16.706 4.407 -1.472 1.00 0.00 H new ATOM 0 HA SER A 7 15.156 2.465 -2.857 1.00 0.00 H new ATOM 0 HB2 SER A 7 17.331 1.582 -3.562 1.00 0.00 H new ATOM 0 HB3 SER A 7 17.402 3.333 -3.563 1.00 0.00 H new ATOM 0 HG SER A 7 19.235 2.381 -2.479 1.00 0.00 H new ATOM 96 N THR A 8 16.538 1.445 -0.054 1.00 0.00 N ATOM 97 CA THR A 8 16.500 0.331 0.932 1.00 0.00 C ATOM 98 C THR A 8 15.084 0.188 1.492 1.00 0.00 C ATOM 99 O THR A 8 14.561 -0.899 1.609 1.00 0.00 O ATOM 100 CB THR A 8 17.471 0.641 2.071 1.00 0.00 C ATOM 101 OG1 THR A 8 18.784 0.774 1.547 1.00 0.00 O ATOM 102 CG2 THR A 8 17.437 -0.486 3.105 1.00 0.00 C ATOM 0 H THR A 8 17.079 2.261 0.233 1.00 0.00 H new ATOM 0 HA THR A 8 16.788 -0.601 0.445 1.00 0.00 H new ATOM 0 HB THR A 8 17.177 1.573 2.554 1.00 0.00 H new ATOM 0 HG1 THR A 8 19.408 0.975 2.275 1.00 0.00 H new ATOM 0 HG21 THR A 8 18.131 -0.259 3.914 1.00 0.00 H new ATOM 0 HG22 THR A 8 16.429 -0.580 3.508 1.00 0.00 H new ATOM 0 HG23 THR A 8 17.727 -1.424 2.631 1.00 0.00 H new ATOM 110 N ALA A 9 14.456 1.278 1.832 1.00 0.00 N ATOM 111 CA ALA A 9 13.073 1.197 2.377 1.00 0.00 C ATOM 112 C ALA A 9 12.147 0.602 1.316 1.00 0.00 C ATOM 113 O ALA A 9 11.277 -0.194 1.609 1.00 0.00 O ATOM 114 CB ALA A 9 12.592 2.601 2.751 1.00 0.00 C ATOM 0 H ALA A 9 14.840 2.220 1.756 1.00 0.00 H new ATOM 0 HA ALA A 9 13.063 0.564 3.264 1.00 0.00 H new ATOM 0 HB1 ALA A 9 11.579 2.544 3.150 1.00 0.00 H new ATOM 0 HB2 ALA A 9 13.256 3.024 3.505 1.00 0.00 H new ATOM 0 HB3 ALA A 9 12.597 3.236 1.865 1.00 0.00 H new ATOM 120 N LEU A 10 12.330 0.986 0.083 1.00 0.00 N ATOM 121 CA LEU A 10 11.466 0.452 -1.007 1.00 0.00 C ATOM 122 C LEU A 10 11.674 -1.068 -1.112 1.00 0.00 C ATOM 123 O LEU A 10 10.736 -1.840 -1.086 1.00 0.00 O ATOM 124 CB LEU A 10 11.878 1.135 -2.325 1.00 0.00 C ATOM 125 CG LEU A 10 10.742 1.102 -3.372 1.00 0.00 C ATOM 126 CD1 LEU A 10 10.109 -0.289 -3.455 1.00 0.00 C ATOM 127 CD2 LEU A 10 9.660 2.135 -3.028 1.00 0.00 C ATOM 0 H LEU A 10 13.044 1.650 -0.218 1.00 0.00 H new ATOM 0 HA LEU A 10 10.414 0.652 -0.801 1.00 0.00 H new ATOM 0 HB2 LEU A 10 12.158 2.169 -2.126 1.00 0.00 H new ATOM 0 HB3 LEU A 10 12.760 0.639 -2.731 1.00 0.00 H new ATOM 0 HG LEU A 10 11.180 1.347 -4.340 1.00 0.00 H new ATOM 0 HD11 LEU A 10 9.313 -0.283 -4.199 1.00 0.00 H new ATOM 0 HD12 LEU A 10 10.868 -1.017 -3.741 1.00 0.00 H new ATOM 0 HD13 LEU A 10 9.695 -0.559 -2.483 1.00 0.00 H new ATOM 0 HD21 LEU A 10 8.869 2.096 -3.777 1.00 0.00 H new ATOM 0 HD22 LEU A 10 9.242 1.911 -2.047 1.00 0.00 H new ATOM 0 HD23 LEU A 10 10.100 3.132 -3.016 1.00 0.00 H new ATOM 139 N ARG A 11 12.903 -1.498 -1.235 1.00 0.00 N ATOM 140 CA ARG A 11 13.183 -2.961 -1.353 1.00 0.00 C ATOM 141 C ARG A 11 12.673 -3.701 -0.111 1.00 0.00 C ATOM 142 O ARG A 11 12.051 -4.740 -0.208 1.00 0.00 O ATOM 143 CB ARG A 11 14.693 -3.176 -1.478 1.00 0.00 C ATOM 144 CG ARG A 11 15.175 -2.671 -2.839 1.00 0.00 C ATOM 145 CD ARG A 11 16.684 -2.891 -2.953 1.00 0.00 C ATOM 146 NE ARG A 11 17.375 -2.140 -1.866 1.00 0.00 N ATOM 147 CZ ARG A 11 18.619 -2.408 -1.576 1.00 0.00 C ATOM 148 NH1 ARG A 11 19.268 -3.316 -2.253 1.00 0.00 N ATOM 149 NH2 ARG A 11 19.215 -1.764 -0.610 1.00 0.00 N ATOM 0 H ARG A 11 13.727 -0.898 -1.259 1.00 0.00 H new ATOM 0 HA ARG A 11 12.673 -3.350 -2.235 1.00 0.00 H new ATOM 0 HB2 ARG A 11 15.213 -2.648 -0.679 1.00 0.00 H new ATOM 0 HB3 ARG A 11 14.930 -4.234 -1.367 1.00 0.00 H new ATOM 0 HG2 ARG A 11 14.657 -3.199 -3.640 1.00 0.00 H new ATOM 0 HG3 ARG A 11 14.941 -1.612 -2.951 1.00 0.00 H new ATOM 0 HD2 ARG A 11 16.915 -3.954 -2.880 1.00 0.00 H new ATOM 0 HD3 ARG A 11 17.040 -2.554 -3.927 1.00 0.00 H new ATOM 0 HE ARG A 11 16.875 -1.417 -1.349 1.00 0.00 H new ATOM 0 HH11 ARG A 11 18.803 -3.817 -3.010 1.00 0.00 H new ATOM 0 HH12 ARG A 11 20.240 -3.524 -2.025 1.00 0.00 H new ATOM 0 HH21 ARG A 11 18.709 -1.052 -0.083 1.00 0.00 H new ATOM 0 HH22 ARG A 11 20.187 -1.972 -0.382 1.00 0.00 H new ATOM 163 N GLU A 12 12.935 -3.175 1.054 1.00 0.00 N ATOM 164 CA GLU A 12 12.472 -3.847 2.303 1.00 0.00 C ATOM 165 C GLU A 12 10.946 -3.939 2.310 1.00 0.00 C ATOM 166 O GLU A 12 10.379 -4.931 2.721 1.00 0.00 O ATOM 167 CB GLU A 12 12.955 -3.056 3.519 1.00 0.00 C ATOM 168 CG GLU A 12 14.473 -3.213 3.650 1.00 0.00 C ATOM 169 CD GLU A 12 14.979 -2.362 4.815 1.00 0.00 C ATOM 170 OE1 GLU A 12 14.198 -1.586 5.340 1.00 0.00 O ATOM 171 OE2 GLU A 12 16.141 -2.500 5.162 1.00 0.00 O ATOM 0 H GLU A 12 13.451 -2.307 1.196 1.00 0.00 H new ATOM 0 HA GLU A 12 12.885 -4.855 2.344 1.00 0.00 H new ATOM 0 HB2 GLU A 12 12.694 -2.003 3.410 1.00 0.00 H new ATOM 0 HB3 GLU A 12 12.461 -3.415 4.422 1.00 0.00 H new ATOM 0 HG2 GLU A 12 14.727 -4.260 3.814 1.00 0.00 H new ATOM 0 HG3 GLU A 12 14.961 -2.908 2.725 1.00 0.00 H new ATOM 178 N LEU A 13 10.275 -2.916 1.861 1.00 0.00 N ATOM 179 CA LEU A 13 8.787 -2.959 1.849 1.00 0.00 C ATOM 180 C LEU A 13 8.327 -4.032 0.858 1.00 0.00 C ATOM 181 O LEU A 13 7.450 -4.819 1.149 1.00 0.00 O ATOM 182 CB LEU A 13 8.256 -1.583 1.423 1.00 0.00 C ATOM 183 CG LEU A 13 6.721 -1.578 1.384 1.00 0.00 C ATOM 184 CD1 LEU A 13 6.147 -1.837 2.785 1.00 0.00 C ATOM 185 CD2 LEU A 13 6.246 -0.212 0.876 1.00 0.00 C ATOM 0 H LEU A 13 10.690 -2.056 1.503 1.00 0.00 H new ATOM 0 HA LEU A 13 8.405 -3.202 2.841 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.609 -0.821 2.118 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.650 -1.325 0.440 1.00 0.00 H new ATOM 0 HG LEU A 13 6.374 -2.368 0.718 1.00 0.00 H new ATOM 0 HD11 LEU A 13 5.058 -1.830 2.739 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.489 -2.808 3.145 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.486 -1.057 3.467 1.00 0.00 H new ATOM 0 HD21 LEU A 13 5.157 -0.195 0.843 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.601 0.570 1.548 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.642 -0.038 -0.125 1.00 0.00 H new ATOM 197 N ILE A 14 8.920 -4.087 -0.304 1.00 0.00 N ATOM 198 CA ILE A 14 8.516 -5.129 -1.292 1.00 0.00 C ATOM 199 C ILE A 14 8.744 -6.518 -0.689 1.00 0.00 C ATOM 200 O ILE A 14 7.885 -7.376 -0.729 1.00 0.00 O ATOM 201 CB ILE A 14 9.354 -4.988 -2.571 1.00 0.00 C ATOM 202 CG1 ILE A 14 8.945 -3.711 -3.311 1.00 0.00 C ATOM 203 CG2 ILE A 14 9.124 -6.205 -3.478 1.00 0.00 C ATOM 204 CD1 ILE A 14 9.931 -3.442 -4.450 1.00 0.00 C ATOM 0 H ILE A 14 9.663 -3.459 -0.611 1.00 0.00 H new ATOM 0 HA ILE A 14 7.461 -5.002 -1.536 1.00 0.00 H new ATOM 0 HB ILE A 14 10.410 -4.932 -2.307 1.00 0.00 H new ATOM 0 HG12 ILE A 14 7.935 -3.816 -3.707 1.00 0.00 H new ATOM 0 HG13 ILE A 14 8.931 -2.867 -2.621 1.00 0.00 H new ATOM 0 HG21 ILE A 14 9.720 -6.101 -4.384 1.00 0.00 H new ATOM 0 HG22 ILE A 14 9.419 -7.112 -2.951 1.00 0.00 H new ATOM 0 HG23 ILE A 14 8.069 -6.267 -3.743 1.00 0.00 H new ATOM 0 HD11 ILE A 14 9.640 -2.533 -4.976 1.00 0.00 H new ATOM 0 HD12 ILE A 14 10.934 -3.319 -4.041 1.00 0.00 H new ATOM 0 HD13 ILE A 14 9.923 -4.282 -5.145 1.00 0.00 H new ATOM 216 N GLU A 15 9.910 -6.747 -0.154 1.00 0.00 N ATOM 217 CA GLU A 15 10.221 -8.081 0.429 1.00 0.00 C ATOM 218 C GLU A 15 9.248 -8.414 1.563 1.00 0.00 C ATOM 219 O GLU A 15 8.807 -9.538 1.698 1.00 0.00 O ATOM 220 CB GLU A 15 11.649 -8.058 0.977 1.00 0.00 C ATOM 221 CG GLU A 15 12.637 -7.997 -0.189 1.00 0.00 C ATOM 222 CD GLU A 15 14.062 -7.876 0.353 1.00 0.00 C ATOM 223 OE1 GLU A 15 14.208 -7.723 1.555 1.00 0.00 O ATOM 224 OE2 GLU A 15 14.984 -7.934 -0.444 1.00 0.00 O ATOM 0 H GLU A 15 10.665 -6.064 -0.095 1.00 0.00 H new ATOM 0 HA GLU A 15 10.123 -8.841 -0.346 1.00 0.00 H new ATOM 0 HB2 GLU A 15 11.786 -7.196 1.630 1.00 0.00 H new ATOM 0 HB3 GLU A 15 11.834 -8.947 1.579 1.00 0.00 H new ATOM 0 HG2 GLU A 15 12.546 -8.892 -0.804 1.00 0.00 H new ATOM 0 HG3 GLU A 15 12.407 -7.146 -0.830 1.00 0.00 H new ATOM 231 N GLU A 16 8.911 -7.458 2.385 1.00 0.00 N ATOM 232 CA GLU A 16 7.972 -7.753 3.505 1.00 0.00 C ATOM 233 C GLU A 16 6.557 -7.961 2.960 1.00 0.00 C ATOM 234 O GLU A 16 5.856 -8.856 3.381 1.00 0.00 O ATOM 235 CB GLU A 16 7.974 -6.598 4.508 1.00 0.00 C ATOM 236 CG GLU A 16 7.096 -6.965 5.709 1.00 0.00 C ATOM 237 CD GLU A 16 7.143 -5.840 6.744 1.00 0.00 C ATOM 238 OE1 GLU A 16 7.966 -4.953 6.589 1.00 0.00 O ATOM 239 OE2 GLU A 16 6.357 -5.886 7.675 1.00 0.00 O ATOM 0 H GLU A 16 9.241 -6.494 2.331 1.00 0.00 H new ATOM 0 HA GLU A 16 8.299 -8.663 4.008 1.00 0.00 H new ATOM 0 HB2 GLU A 16 8.992 -6.390 4.838 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.601 -5.690 4.034 1.00 0.00 H new ATOM 0 HG2 GLU A 16 6.069 -7.131 5.384 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.443 -7.897 6.155 1.00 0.00 H new ATOM 246 N LEU A 17 6.128 -7.150 2.026 1.00 0.00 N ATOM 247 CA LEU A 17 4.753 -7.329 1.469 1.00 0.00 C ATOM 248 C LEU A 17 4.628 -8.718 0.843 1.00 0.00 C ATOM 249 O LEU A 17 3.661 -9.420 1.055 1.00 0.00 O ATOM 250 CB LEU A 17 4.472 -6.274 0.390 1.00 0.00 C ATOM 251 CG LEU A 17 4.321 -4.879 1.016 1.00 0.00 C ATOM 252 CD1 LEU A 17 4.287 -3.836 -0.107 1.00 0.00 C ATOM 253 CD2 LEU A 17 3.016 -4.793 1.837 1.00 0.00 C ATOM 0 H LEU A 17 6.664 -6.379 1.628 1.00 0.00 H new ATOM 0 HA LEU A 17 4.034 -7.218 2.281 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.284 -6.265 -0.337 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.563 -6.535 -0.152 1.00 0.00 H new ATOM 0 HG LEU A 17 5.163 -4.691 1.682 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.180 -2.841 0.324 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.214 -3.886 -0.678 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.443 -4.039 -0.766 1.00 0.00 H new ATOM 0 HD21 LEU A 17 2.925 -3.798 2.273 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.163 -4.983 1.185 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.037 -5.537 2.633 1.00 0.00 H new ATOM 265 N VAL A 18 5.592 -9.113 0.062 1.00 0.00 N ATOM 266 CA VAL A 18 5.525 -10.448 -0.594 1.00 0.00 C ATOM 267 C VAL A 18 5.574 -11.558 0.461 1.00 0.00 C ATOM 268 O VAL A 18 4.895 -12.556 0.356 1.00 0.00 O ATOM 269 CB VAL A 18 6.719 -10.597 -1.542 1.00 0.00 C ATOM 270 CG1 VAL A 18 6.792 -12.033 -2.070 1.00 0.00 C ATOM 271 CG2 VAL A 18 6.560 -9.630 -2.715 1.00 0.00 C ATOM 0 H VAL A 18 6.427 -8.567 -0.152 1.00 0.00 H new ATOM 0 HA VAL A 18 4.591 -10.530 -1.150 1.00 0.00 H new ATOM 0 HB VAL A 18 7.637 -10.369 -1.000 1.00 0.00 H new ATOM 0 HG11 VAL A 18 7.644 -12.130 -2.743 1.00 0.00 H new ATOM 0 HG12 VAL A 18 6.910 -12.722 -1.234 1.00 0.00 H new ATOM 0 HG13 VAL A 18 5.875 -12.270 -2.609 1.00 0.00 H new ATOM 0 HG21 VAL A 18 7.409 -9.735 -3.391 1.00 0.00 H new ATOM 0 HG22 VAL A 18 5.639 -9.857 -3.252 1.00 0.00 H new ATOM 0 HG23 VAL A 18 6.519 -8.607 -2.340 1.00 0.00 H new ATOM 281 N ASN A 19 6.385 -11.400 1.465 1.00 0.00 N ATOM 282 CA ASN A 19 6.497 -12.459 2.506 1.00 0.00 C ATOM 283 C ASN A 19 5.145 -12.702 3.188 1.00 0.00 C ATOM 284 O ASN A 19 4.789 -13.826 3.485 1.00 0.00 O ATOM 285 CB ASN A 19 7.525 -12.019 3.552 1.00 0.00 C ATOM 286 CG ASN A 19 8.935 -12.131 2.966 1.00 0.00 C ATOM 287 OD1 ASN A 19 9.775 -11.288 3.212 1.00 0.00 O ATOM 288 ND2 ASN A 19 9.235 -13.143 2.198 1.00 0.00 N ATOM 0 H ASN A 19 6.977 -10.583 1.612 1.00 0.00 H new ATOM 0 HA ASN A 19 6.813 -13.388 2.032 1.00 0.00 H new ATOM 0 HB2 ASN A 19 7.329 -10.992 3.860 1.00 0.00 H new ATOM 0 HB3 ASN A 19 7.440 -12.640 4.443 1.00 0.00 H new ATOM 0 HD21 ASN A 19 10.173 -13.225 1.806 1.00 0.00 H new ATOM 0 HD22 ASN A 19 8.531 -13.852 1.990 1.00 0.00 H new ATOM 295 N ILE A 20 4.396 -11.670 3.457 1.00 0.00 N ATOM 296 CA ILE A 20 3.082 -11.863 4.142 1.00 0.00 C ATOM 297 C ILE A 20 1.998 -12.339 3.165 1.00 0.00 C ATOM 298 O ILE A 20 0.960 -12.800 3.587 1.00 0.00 O ATOM 299 CB ILE A 20 2.646 -10.553 4.803 1.00 0.00 C ATOM 300 CG1 ILE A 20 2.563 -9.440 3.755 1.00 0.00 C ATOM 301 CG2 ILE A 20 3.659 -10.165 5.880 1.00 0.00 C ATOM 302 CD1 ILE A 20 1.910 -8.203 4.372 1.00 0.00 C ATOM 0 H ILE A 20 4.633 -10.703 3.234 1.00 0.00 H new ATOM 0 HA ILE A 20 3.210 -12.635 4.901 1.00 0.00 H new ATOM 0 HB ILE A 20 1.664 -10.690 5.256 1.00 0.00 H new ATOM 0 HG12 ILE A 20 3.561 -9.194 3.391 1.00 0.00 H new ATOM 0 HG13 ILE A 20 1.985 -9.778 2.895 1.00 0.00 H new ATOM 0 HG21 ILE A 20 3.350 -9.232 6.351 1.00 0.00 H new ATOM 0 HG22 ILE A 20 3.710 -10.952 6.632 1.00 0.00 H new ATOM 0 HG23 ILE A 20 4.641 -10.033 5.425 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.852 -7.411 3.625 1.00 0.00 H new ATOM 0 HD12 ILE A 20 0.906 -8.454 4.714 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.506 -7.860 5.218 1.00 0.00 H new ATOM 314 N THR A 21 2.202 -12.221 1.872 1.00 0.00 N ATOM 315 CA THR A 21 1.137 -12.662 0.904 1.00 0.00 C ATOM 316 C THR A 21 1.442 -14.060 0.349 1.00 0.00 C ATOM 317 O THR A 21 0.565 -14.733 -0.154 1.00 0.00 O ATOM 318 CB THR A 21 1.057 -11.674 -0.269 1.00 0.00 C ATOM 319 OG1 THR A 21 2.342 -11.534 -0.860 1.00 0.00 O ATOM 320 CG2 THR A 21 0.563 -10.308 0.218 1.00 0.00 C ATOM 0 H THR A 21 3.049 -11.843 1.447 1.00 0.00 H new ATOM 0 HA THR A 21 0.188 -12.690 1.440 1.00 0.00 H new ATOM 0 HB THR A 21 0.354 -12.059 -1.008 1.00 0.00 H new ATOM 0 HG1 THR A 21 2.291 -10.905 -1.609 1.00 0.00 H new ATOM 0 HG21 THR A 21 0.511 -9.618 -0.624 1.00 0.00 H new ATOM 0 HG22 THR A 21 -0.428 -10.416 0.660 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.253 -9.917 0.965 1.00 0.00 H new ATOM 328 N GLN A 22 2.663 -14.509 0.421 1.00 0.00 N ATOM 329 CA GLN A 22 2.980 -15.867 -0.118 1.00 0.00 C ATOM 330 C GLN A 22 2.489 -16.966 0.833 1.00 0.00 C ATOM 331 O GLN A 22 2.003 -17.993 0.404 1.00 0.00 O ATOM 332 CB GLN A 22 4.490 -16.008 -0.322 1.00 0.00 C ATOM 333 CG GLN A 22 4.932 -15.147 -1.508 1.00 0.00 C ATOM 334 CD GLN A 22 6.448 -15.254 -1.678 1.00 0.00 C ATOM 335 OE1 GLN A 22 7.174 -15.362 -0.710 1.00 0.00 O ATOM 336 NE2 GLN A 22 6.959 -15.228 -2.878 1.00 0.00 N ATOM 0 H GLN A 22 3.451 -14.003 0.825 1.00 0.00 H new ATOM 0 HA GLN A 22 2.467 -15.980 -1.073 1.00 0.00 H new ATOM 0 HB2 GLN A 22 5.019 -15.701 0.580 1.00 0.00 H new ATOM 0 HB3 GLN A 22 4.747 -17.052 -0.502 1.00 0.00 H new ATOM 0 HG2 GLN A 22 4.429 -15.476 -2.417 1.00 0.00 H new ATOM 0 HG3 GLN A 22 4.646 -14.108 -1.344 1.00 0.00 H new ATOM 0 HE21 GLN A 22 6.349 -15.137 -3.690 1.00 0.00 H new ATOM 0 HE22 GLN A 22 7.969 -15.298 -3.004 1.00 0.00 H new ATOM 345 N ASN A 23 2.635 -16.775 2.119 1.00 0.00 N ATOM 346 CA ASN A 23 2.202 -17.828 3.096 1.00 0.00 C ATOM 347 C ASN A 23 0.799 -17.541 3.641 1.00 0.00 C ATOM 348 O ASN A 23 0.356 -18.177 4.577 1.00 0.00 O ATOM 349 CB ASN A 23 3.194 -17.873 4.261 1.00 0.00 C ATOM 350 CG ASN A 23 4.520 -18.469 3.781 1.00 0.00 C ATOM 351 OD1 ASN A 23 4.564 -19.152 2.777 1.00 0.00 O ATOM 352 ND2 ASN A 23 5.609 -18.241 4.463 1.00 0.00 N ATOM 0 H ASN A 23 3.035 -15.936 2.538 1.00 0.00 H new ATOM 0 HA ASN A 23 2.179 -18.786 2.577 1.00 0.00 H new ATOM 0 HB2 ASN A 23 3.355 -16.869 4.654 1.00 0.00 H new ATOM 0 HB3 ASN A 23 2.787 -18.472 5.076 1.00 0.00 H new ATOM 0 HD21 ASN A 23 6.497 -18.636 4.153 1.00 0.00 H new ATOM 0 HD22 ASN A 23 5.572 -17.668 5.306 1.00 0.00 H new ATOM 359 N GLN A 24 0.088 -16.598 3.083 1.00 0.00 N ATOM 360 CA GLN A 24 -1.280 -16.308 3.608 1.00 0.00 C ATOM 361 C GLN A 24 -2.282 -17.310 3.029 1.00 0.00 C ATOM 362 O GLN A 24 -2.334 -17.531 1.836 1.00 0.00 O ATOM 363 CB GLN A 24 -1.700 -14.872 3.229 1.00 0.00 C ATOM 364 CG GLN A 24 -2.110 -14.787 1.749 1.00 0.00 C ATOM 365 CD GLN A 24 -2.336 -13.325 1.362 1.00 0.00 C ATOM 366 OE1 GLN A 24 -2.040 -12.428 2.127 1.00 0.00 O ATOM 367 NE2 GLN A 24 -2.854 -13.047 0.197 1.00 0.00 N ATOM 0 H GLN A 24 0.389 -16.022 2.297 1.00 0.00 H new ATOM 0 HA GLN A 24 -1.268 -16.399 4.694 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -2.531 -14.555 3.859 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -0.875 -14.186 3.421 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -1.334 -15.224 1.121 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -3.020 -15.363 1.580 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -3.102 -13.801 -0.444 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -3.011 -12.076 -0.073 1.00 0.00 H new ATOM 376 N LYS A 25 -3.098 -17.900 3.859 1.00 0.00 N ATOM 377 CA LYS A 25 -4.118 -18.851 3.337 1.00 0.00 C ATOM 378 C LYS A 25 -5.327 -18.027 2.905 1.00 0.00 C ATOM 379 O LYS A 25 -5.522 -17.752 1.738 1.00 0.00 O ATOM 380 CB LYS A 25 -4.525 -19.835 4.440 1.00 0.00 C ATOM 381 CG LYS A 25 -5.586 -20.801 3.902 1.00 0.00 C ATOM 382 CD LYS A 25 -5.994 -21.784 5.001 1.00 0.00 C ATOM 383 CE LYS A 25 -7.060 -22.738 4.457 1.00 0.00 C ATOM 384 NZ LYS A 25 -6.444 -23.663 3.465 1.00 0.00 N ATOM 0 H LYS A 25 -3.103 -17.765 4.870 1.00 0.00 H new ATOM 0 HA LYS A 25 -3.721 -19.423 2.499 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -3.653 -20.392 4.784 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -4.916 -19.291 5.300 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -6.457 -20.244 3.557 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -5.194 -21.344 3.042 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -5.125 -22.347 5.342 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -6.381 -21.242 5.864 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -7.504 -23.308 5.274 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -7.865 -22.171 3.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -7.080 -24.469 3.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -6.286 -23.157 2.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -5.535 -24.010 3.832 1.00 0.00 H new ATOM 398 N ALA A 26 -6.123 -17.603 3.848 1.00 0.00 N ATOM 399 CA ALA A 26 -7.303 -16.762 3.512 1.00 0.00 C ATOM 400 C ALA A 26 -6.823 -15.302 3.389 1.00 0.00 C ATOM 401 O ALA A 26 -5.749 -14.966 3.848 1.00 0.00 O ATOM 402 CB ALA A 26 -8.360 -16.903 4.632 1.00 0.00 C ATOM 0 H ALA A 26 -6.005 -17.805 4.841 1.00 0.00 H new ATOM 0 HA ALA A 26 -7.758 -17.076 2.572 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -9.228 -16.289 4.392 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -8.665 -17.946 4.715 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -7.933 -16.573 5.579 1.00 0.00 H new ATOM 408 N PRO A 27 -7.603 -14.439 2.786 1.00 0.00 N ATOM 409 CA PRO A 27 -7.200 -13.012 2.641 1.00 0.00 C ATOM 410 C PRO A 27 -6.607 -12.440 3.941 1.00 0.00 C ATOM 411 O PRO A 27 -6.725 -13.030 4.996 1.00 0.00 O ATOM 412 CB PRO A 27 -8.537 -12.341 2.276 1.00 0.00 C ATOM 413 CG PRO A 27 -9.517 -13.443 1.819 1.00 0.00 C ATOM 414 CD PRO A 27 -8.926 -14.812 2.213 1.00 0.00 C ATOM 0 HA PRO A 27 -6.412 -12.855 1.904 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -8.941 -11.805 3.135 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -8.391 -11.608 1.482 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -10.492 -13.302 2.286 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -9.670 -13.392 0.741 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -9.552 -15.330 2.940 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -8.824 -15.473 1.352 1.00 0.00 H new ATOM 422 N LEU A 28 -5.976 -11.296 3.875 1.00 0.00 N ATOM 423 CA LEU A 28 -5.386 -10.700 5.112 1.00 0.00 C ATOM 424 C LEU A 28 -6.512 -10.263 6.048 1.00 0.00 C ATOM 425 O LEU A 28 -6.280 -9.888 7.180 1.00 0.00 O ATOM 426 CB LEU A 28 -4.545 -9.470 4.755 1.00 0.00 C ATOM 427 CG LEU A 28 -3.394 -9.856 3.819 1.00 0.00 C ATOM 428 CD1 LEU A 28 -2.610 -8.591 3.454 1.00 0.00 C ATOM 429 CD2 LEU A 28 -2.456 -10.858 4.516 1.00 0.00 C ATOM 0 H LEU A 28 -5.844 -10.751 3.023 1.00 0.00 H new ATOM 0 HA LEU A 28 -4.756 -11.446 5.597 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -5.174 -8.719 4.276 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.146 -9.019 5.664 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.797 -10.321 2.919 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.788 -8.852 2.788 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.272 -7.884 2.953 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.212 -8.135 4.361 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.642 -11.125 3.841 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.045 -10.405 5.418 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.015 -11.755 4.783 1.00 0.00 H new ATOM 441 N CYS A 29 -7.730 -10.304 5.583 1.00 0.00 N ATOM 442 CA CYS A 29 -8.878 -9.885 6.441 1.00 0.00 C ATOM 443 C CYS A 29 -10.098 -10.742 6.100 1.00 0.00 C ATOM 444 O CYS A 29 -10.036 -11.615 5.258 1.00 0.00 O ATOM 445 CB CYS A 29 -9.197 -8.412 6.172 1.00 0.00 C ATOM 446 SG CYS A 29 -7.802 -7.386 6.704 1.00 0.00 S ATOM 0 H CYS A 29 -7.982 -10.610 4.643 1.00 0.00 H new ATOM 0 HA CYS A 29 -8.622 -10.016 7.492 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -9.391 -8.259 5.110 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -10.101 -8.121 6.707 1.00 0.00 H new ATOM 451 N ASN A 30 -11.205 -10.504 6.750 1.00 0.00 N ATOM 452 CA ASN A 30 -12.428 -11.307 6.461 1.00 0.00 C ATOM 453 C ASN A 30 -12.917 -10.996 5.045 1.00 0.00 C ATOM 454 O ASN A 30 -14.092 -10.786 4.817 1.00 0.00 O ATOM 455 CB ASN A 30 -13.522 -10.954 7.470 1.00 0.00 C ATOM 456 CG ASN A 30 -13.133 -11.484 8.850 1.00 0.00 C ATOM 457 OD1 ASN A 30 -13.153 -10.756 9.822 1.00 0.00 O ATOM 458 ND2 ASN A 30 -12.776 -12.733 8.977 1.00 0.00 N ATOM 0 H ASN A 30 -11.315 -9.788 7.468 1.00 0.00 H new ATOM 0 HA ASN A 30 -12.194 -12.369 6.540 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -13.660 -9.874 7.509 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -14.473 -11.386 7.158 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -12.514 -13.098 9.893 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -12.759 -13.344 8.161 1.00 0.00 H new ATOM 465 N GLY A 31 -12.027 -10.959 4.094 1.00 0.00 N ATOM 466 CA GLY A 31 -12.445 -10.656 2.698 1.00 0.00 C ATOM 467 C GLY A 31 -12.773 -9.168 2.583 1.00 0.00 C ATOM 468 O GLY A 31 -13.558 -8.757 1.752 1.00 0.00 O ATOM 0 H GLY A 31 -11.029 -11.125 4.223 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -11.649 -10.920 2.002 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -13.315 -11.254 2.428 1.00 0.00 H new ATOM 472 N SER A 32 -12.177 -8.355 3.412 1.00 0.00 N ATOM 473 CA SER A 32 -12.457 -6.895 3.347 1.00 0.00 C ATOM 474 C SER A 32 -12.072 -6.370 1.962 1.00 0.00 C ATOM 475 O SER A 32 -11.068 -6.761 1.396 1.00 0.00 O ATOM 476 CB SER A 32 -11.640 -6.169 4.417 1.00 0.00 C ATOM 477 OG SER A 32 -12.061 -6.606 5.703 1.00 0.00 O ATOM 0 H SER A 32 -11.510 -8.639 4.129 1.00 0.00 H new ATOM 0 HA SER A 32 -13.518 -6.717 3.523 1.00 0.00 H new ATOM 0 HB2 SER A 32 -10.578 -6.372 4.280 1.00 0.00 H new ATOM 0 HB3 SER A 32 -11.773 -5.091 4.324 1.00 0.00 H new ATOM 0 HG SER A 32 -11.539 -6.145 6.392 1.00 0.00 H new ATOM 483 N MET A 33 -12.870 -5.488 1.412 1.00 0.00 N ATOM 484 CA MET A 33 -12.572 -4.923 0.058 1.00 0.00 C ATOM 485 C MET A 33 -12.133 -3.464 0.208 1.00 0.00 C ATOM 486 O MET A 33 -12.487 -2.798 1.160 1.00 0.00 O ATOM 487 CB MET A 33 -13.831 -4.993 -0.808 1.00 0.00 C ATOM 488 CG MET A 33 -14.205 -6.460 -1.038 1.00 0.00 C ATOM 489 SD MET A 33 -15.696 -6.558 -2.063 1.00 0.00 S ATOM 490 CE MET A 33 -14.963 -5.986 -3.618 1.00 0.00 C ATOM 0 H MET A 33 -13.722 -5.132 1.846 1.00 0.00 H new ATOM 0 HA MET A 33 -11.775 -5.497 -0.415 1.00 0.00 H new ATOM 0 HB2 MET A 33 -14.652 -4.469 -0.319 1.00 0.00 H new ATOM 0 HB3 MET A 33 -13.658 -4.496 -1.762 1.00 0.00 H new ATOM 0 HG2 MET A 33 -13.382 -6.983 -1.526 1.00 0.00 H new ATOM 0 HG3 MET A 33 -14.376 -6.956 -0.082 1.00 0.00 H new ATOM 0 HE1 MET A 33 -15.294 -6.628 -4.434 1.00 0.00 H new ATOM 0 HE2 MET A 33 -15.277 -4.960 -3.813 1.00 0.00 H new ATOM 0 HE3 MET A 33 -13.876 -6.025 -3.544 1.00 0.00 H new ATOM 500 N VAL A 34 -11.353 -2.969 -0.723 1.00 0.00 N ATOM 501 CA VAL A 34 -10.867 -1.552 -0.646 1.00 0.00 C ATOM 502 C VAL A 34 -11.122 -0.840 -1.977 1.00 0.00 C ATOM 503 O VAL A 34 -11.330 -1.465 -2.998 1.00 0.00 O ATOM 504 CB VAL A 34 -9.369 -1.550 -0.348 1.00 0.00 C ATOM 505 CG1 VAL A 34 -9.141 -1.993 1.096 1.00 0.00 C ATOM 506 CG2 VAL A 34 -8.660 -2.523 -1.292 1.00 0.00 C ATOM 0 H VAL A 34 -11.029 -3.488 -1.539 1.00 0.00 H new ATOM 0 HA VAL A 34 -11.402 -1.030 0.147 1.00 0.00 H new ATOM 0 HB VAL A 34 -8.970 -0.546 -0.492 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -8.073 -1.993 1.312 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -9.648 -1.305 1.772 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -9.539 -2.998 1.235 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -7.591 -2.522 -1.080 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -9.058 -3.527 -1.146 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -8.825 -2.214 -2.324 1.00 0.00 H new ATOM 516 N TRP A 35 -11.114 0.467 -1.968 1.00 0.00 N ATOM 517 CA TRP A 35 -11.363 1.230 -3.226 1.00 0.00 C ATOM 518 C TRP A 35 -10.148 1.131 -4.148 1.00 0.00 C ATOM 519 O TRP A 35 -9.032 1.397 -3.749 1.00 0.00 O ATOM 520 CB TRP A 35 -11.590 2.705 -2.890 1.00 0.00 C ATOM 521 CG TRP A 35 -12.900 2.883 -2.193 1.00 0.00 C ATOM 522 CD1 TRP A 35 -13.079 2.848 -0.854 1.00 0.00 C ATOM 523 CD2 TRP A 35 -14.211 3.134 -2.776 1.00 0.00 C ATOM 524 NE1 TRP A 35 -14.415 3.067 -0.576 1.00 0.00 N ATOM 525 CE2 TRP A 35 -15.155 3.246 -1.729 1.00 0.00 C ATOM 526 CE3 TRP A 35 -14.667 3.274 -4.098 1.00 0.00 C ATOM 527 CZ2 TRP A 35 -16.505 3.489 -1.984 1.00 0.00 C ATOM 528 CZ3 TRP A 35 -16.025 3.518 -4.359 1.00 0.00 C ATOM 529 CH2 TRP A 35 -16.942 3.625 -3.305 1.00 0.00 C ATOM 0 H TRP A 35 -10.945 1.040 -1.141 1.00 0.00 H new ATOM 0 HA TRP A 35 -12.239 0.812 -3.721 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -10.781 3.069 -2.257 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -11.573 3.300 -3.803 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -12.305 2.677 -0.121 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -14.807 3.093 0.365 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -13.969 3.193 -4.918 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -17.207 3.571 -1.167 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -16.365 3.624 -5.379 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -17.985 3.812 -3.513 1.00 0.00 H new ATOM 540 N SER A 36 -10.355 0.775 -5.387 1.00 0.00 N ATOM 541 CA SER A 36 -9.209 0.692 -6.332 1.00 0.00 C ATOM 542 C SER A 36 -8.729 2.114 -6.631 1.00 0.00 C ATOM 543 O SER A 36 -9.500 3.053 -6.589 1.00 0.00 O ATOM 544 CB SER A 36 -9.652 0.012 -7.629 1.00 0.00 C ATOM 545 OG SER A 36 -10.495 0.892 -8.358 1.00 0.00 O ATOM 0 H SER A 36 -11.265 0.539 -5.783 1.00 0.00 H new ATOM 0 HA SER A 36 -8.402 0.107 -5.891 1.00 0.00 H new ATOM 0 HB2 SER A 36 -8.782 -0.255 -8.228 1.00 0.00 H new ATOM 0 HB3 SER A 36 -10.181 -0.914 -7.405 1.00 0.00 H new ATOM 0 HG SER A 36 -10.779 0.459 -9.190 1.00 0.00 H new ATOM 551 N ILE A 37 -7.466 2.284 -6.926 1.00 0.00 N ATOM 552 CA ILE A 37 -6.930 3.652 -7.224 1.00 0.00 C ATOM 553 C ILE A 37 -6.075 3.605 -8.488 1.00 0.00 C ATOM 554 O ILE A 37 -5.670 2.552 -8.937 1.00 0.00 O ATOM 555 CB ILE A 37 -6.068 4.128 -6.048 1.00 0.00 C ATOM 556 CG1 ILE A 37 -5.028 3.054 -5.694 1.00 0.00 C ATOM 557 CG2 ILE A 37 -6.963 4.393 -4.835 1.00 0.00 C ATOM 558 CD1 ILE A 37 -3.921 3.671 -4.834 1.00 0.00 C ATOM 0 H ILE A 37 -6.778 1.533 -6.974 1.00 0.00 H new ATOM 0 HA ILE A 37 -7.762 4.341 -7.374 1.00 0.00 H new ATOM 0 HB ILE A 37 -5.552 5.046 -6.329 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -5.506 2.235 -5.156 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -4.602 2.632 -6.604 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -6.351 4.731 -3.999 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -7.695 5.162 -5.084 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -7.481 3.475 -4.558 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -3.185 2.906 -4.585 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -3.436 4.475 -5.387 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -4.353 4.071 -3.917 1.00 0.00 H new ATOM 570 N ASN A 38 -5.781 4.742 -9.056 1.00 0.00 N ATOM 571 CA ASN A 38 -4.930 4.769 -10.277 1.00 0.00 C ATOM 572 C ASN A 38 -3.474 4.788 -9.820 1.00 0.00 C ATOM 573 O ASN A 38 -3.055 5.670 -9.097 1.00 0.00 O ATOM 574 CB ASN A 38 -5.234 6.029 -11.092 1.00 0.00 C ATOM 575 CG ASN A 38 -4.459 5.992 -12.411 1.00 0.00 C ATOM 576 OD1 ASN A 38 -4.242 4.847 -12.998 1.00 0.00 O flip ATOM 577 ND2 ASN A 38 -4.050 7.019 -12.916 1.00 0.00 N flip ATOM 0 H ASN A 38 -6.094 5.655 -8.726 1.00 0.00 H new ATOM 0 HA ASN A 38 -5.126 3.898 -10.903 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -6.304 6.096 -11.290 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -4.959 6.917 -10.523 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -4.219 7.915 -12.458 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -3.538 6.985 -13.797 1.00 0.00 H new ATOM 584 N LEU A 39 -2.704 3.812 -10.208 1.00 0.00 N ATOM 585 CA LEU A 39 -1.286 3.773 -9.762 1.00 0.00 C ATOM 586 C LEU A 39 -0.461 4.740 -10.612 1.00 0.00 C ATOM 587 O LEU A 39 -0.256 4.532 -11.791 1.00 0.00 O ATOM 588 CB LEU A 39 -0.732 2.349 -9.915 1.00 0.00 C ATOM 589 CG LEU A 39 -1.401 1.384 -8.913 1.00 0.00 C ATOM 590 CD1 LEU A 39 -1.088 1.798 -7.464 1.00 0.00 C ATOM 591 CD2 LEU A 39 -2.923 1.363 -9.128 1.00 0.00 C ATOM 0 H LEU A 39 -2.994 3.043 -10.812 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.228 4.068 -8.714 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.901 1.997 -10.933 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.346 2.355 -9.755 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.000 0.385 -9.086 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.570 1.104 -6.775 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.010 1.778 -7.305 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.463 2.806 -7.285 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -3.382 0.678 -8.415 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.325 2.365 -8.979 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.143 1.031 -10.143 1.00 0.00 H new ATOM 603 N THR A 40 0.012 5.803 -10.010 1.00 0.00 N ATOM 604 CA THR A 40 0.827 6.807 -10.756 1.00 0.00 C ATOM 605 C THR A 40 2.002 7.250 -9.879 1.00 0.00 C ATOM 606 O THR A 40 2.879 6.471 -9.565 1.00 0.00 O ATOM 607 CB THR A 40 -0.043 8.022 -11.099 1.00 0.00 C ATOM 608 OG1 THR A 40 -0.770 8.423 -9.947 1.00 0.00 O ATOM 609 CG2 THR A 40 -1.019 7.658 -12.220 1.00 0.00 C ATOM 0 H THR A 40 -0.134 6.019 -9.024 1.00 0.00 H new ATOM 0 HA THR A 40 1.203 6.363 -11.678 1.00 0.00 H new ATOM 0 HB THR A 40 0.595 8.841 -11.430 1.00 0.00 H new ATOM 0 HG1 THR A 40 -1.325 9.201 -10.165 1.00 0.00 H new ATOM 0 HG21 THR A 40 -1.636 8.524 -12.461 1.00 0.00 H new ATOM 0 HG22 THR A 40 -0.460 7.353 -13.105 1.00 0.00 H new ATOM 0 HG23 THR A 40 -1.658 6.837 -11.894 1.00 0.00 H new ATOM 617 N ALA A 41 2.035 8.499 -9.490 1.00 0.00 N ATOM 618 CA ALA A 41 3.163 8.996 -8.642 1.00 0.00 C ATOM 619 C ALA A 41 2.837 8.830 -7.151 1.00 0.00 C ATOM 620 O ALA A 41 3.314 7.922 -6.501 1.00 0.00 O ATOM 621 CB ALA A 41 3.404 10.475 -8.947 1.00 0.00 C ATOM 0 H ALA A 41 1.329 9.198 -9.723 1.00 0.00 H new ATOM 0 HA ALA A 41 4.056 8.414 -8.868 1.00 0.00 H new ATOM 0 HB1 ALA A 41 4.225 10.844 -8.332 1.00 0.00 H new ATOM 0 HB2 ALA A 41 3.658 10.593 -10.000 1.00 0.00 H new ATOM 0 HB3 ALA A 41 2.501 11.044 -8.726 1.00 0.00 H new ATOM 627 N GLY A 42 2.049 9.720 -6.602 1.00 0.00 N ATOM 628 CA GLY A 42 1.709 9.641 -5.146 1.00 0.00 C ATOM 629 C GLY A 42 0.895 8.377 -4.845 1.00 0.00 C ATOM 630 O GLY A 42 -0.145 8.433 -4.218 1.00 0.00 O ATOM 0 H GLY A 42 1.624 10.502 -7.101 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.624 9.639 -4.554 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.141 10.524 -4.852 1.00 0.00 H new ATOM 634 N MET A 43 1.361 7.241 -5.277 1.00 0.00 N ATOM 635 CA MET A 43 0.622 5.974 -5.010 1.00 0.00 C ATOM 636 C MET A 43 0.554 5.720 -3.500 1.00 0.00 C ATOM 637 O MET A 43 -0.436 5.244 -2.984 1.00 0.00 O ATOM 638 CB MET A 43 1.356 4.809 -5.675 1.00 0.00 C ATOM 639 CG MET A 43 1.422 5.044 -7.184 1.00 0.00 C ATOM 640 SD MET A 43 2.125 3.588 -8.000 1.00 0.00 S ATOM 641 CE MET A 43 3.734 3.609 -7.175 1.00 0.00 C ATOM 0 H MET A 43 2.226 7.133 -5.806 1.00 0.00 H new ATOM 0 HA MET A 43 -0.388 6.058 -5.412 1.00 0.00 H new ATOM 0 HB2 MET A 43 2.362 4.718 -5.266 1.00 0.00 H new ATOM 0 HB3 MET A 43 0.840 3.872 -5.464 1.00 0.00 H new ATOM 0 HG2 MET A 43 0.424 5.245 -7.574 1.00 0.00 H new ATOM 0 HG3 MET A 43 2.031 5.922 -7.398 1.00 0.00 H new ATOM 0 HE1 MET A 43 4.492 3.206 -7.846 1.00 0.00 H new ATOM 0 HE2 MET A 43 3.993 4.634 -6.908 1.00 0.00 H new ATOM 0 HE3 MET A 43 3.688 3.000 -6.272 1.00 0.00 H new ATOM 651 N TYR A 44 1.618 6.007 -2.798 1.00 0.00 N ATOM 652 CA TYR A 44 1.653 5.754 -1.326 1.00 0.00 C ATOM 653 C TYR A 44 0.555 6.543 -0.604 1.00 0.00 C ATOM 654 O TYR A 44 -0.161 6.003 0.215 1.00 0.00 O ATOM 655 CB TYR A 44 3.020 6.183 -0.789 1.00 0.00 C ATOM 656 CG TYR A 44 4.085 5.289 -1.375 1.00 0.00 C ATOM 657 CD1 TYR A 44 4.674 5.620 -2.600 1.00 0.00 C ATOM 658 CD2 TYR A 44 4.473 4.124 -0.703 1.00 0.00 C ATOM 659 CE1 TYR A 44 5.653 4.787 -3.152 1.00 0.00 C ATOM 660 CE2 TYR A 44 5.450 3.291 -1.256 1.00 0.00 C ATOM 661 CZ TYR A 44 6.040 3.622 -2.480 1.00 0.00 C ATOM 662 OH TYR A 44 7.001 2.800 -3.025 1.00 0.00 O ATOM 0 H TYR A 44 2.472 6.409 -3.184 1.00 0.00 H new ATOM 0 HA TYR A 44 1.484 4.692 -1.146 1.00 0.00 H new ATOM 0 HB2 TYR A 44 3.217 7.223 -1.050 1.00 0.00 H new ATOM 0 HB3 TYR A 44 3.033 6.120 0.299 1.00 0.00 H new ATOM 0 HD1 TYR A 44 4.373 6.518 -3.119 1.00 0.00 H new ATOM 0 HD2 TYR A 44 4.018 3.869 0.242 1.00 0.00 H new ATOM 0 HE1 TYR A 44 6.110 5.043 -4.096 1.00 0.00 H new ATOM 0 HE2 TYR A 44 5.749 2.392 -0.738 1.00 0.00 H new ATOM 0 HH TYR A 44 6.967 2.860 -4.003 1.00 0.00 H new ATOM 672 N CYS A 45 0.410 7.807 -0.887 1.00 0.00 N ATOM 673 CA CYS A 45 -0.650 8.592 -0.191 1.00 0.00 C ATOM 674 C CYS A 45 -2.024 8.063 -0.603 1.00 0.00 C ATOM 675 O CYS A 45 -2.863 7.777 0.228 1.00 0.00 O ATOM 676 CB CYS A 45 -0.528 10.072 -0.557 1.00 0.00 C ATOM 677 SG CYS A 45 0.958 10.765 0.217 1.00 0.00 S ATOM 0 H CYS A 45 0.971 8.327 -1.562 1.00 0.00 H new ATOM 0 HA CYS A 45 -0.530 8.487 0.887 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -0.474 10.187 -1.640 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -1.412 10.615 -0.222 1.00 0.00 H new ATOM 682 N ALA A 46 -2.261 7.920 -1.878 1.00 0.00 N ATOM 683 CA ALA A 46 -3.579 7.398 -2.334 1.00 0.00 C ATOM 684 C ALA A 46 -3.790 5.998 -1.755 1.00 0.00 C ATOM 685 O ALA A 46 -4.849 5.664 -1.261 1.00 0.00 O ATOM 686 CB ALA A 46 -3.592 7.323 -3.861 1.00 0.00 C ATOM 0 H ALA A 46 -1.600 8.142 -2.622 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.376 8.060 -1.995 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -4.556 6.941 -4.198 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -3.431 8.318 -4.276 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.799 6.656 -4.199 1.00 0.00 H new ATOM 692 N ALA A 47 -2.782 5.177 -1.815 1.00 0.00 N ATOM 693 CA ALA A 47 -2.907 3.798 -1.270 1.00 0.00 C ATOM 694 C ALA A 47 -3.172 3.861 0.235 1.00 0.00 C ATOM 695 O ALA A 47 -3.943 3.092 0.774 1.00 0.00 O ATOM 696 CB ALA A 47 -1.601 3.038 -1.521 1.00 0.00 C ATOM 0 H ALA A 47 -1.873 5.402 -2.219 1.00 0.00 H new ATOM 0 HA ALA A 47 -3.734 3.287 -1.762 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -1.686 2.027 -1.124 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -1.407 2.992 -2.593 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.779 3.554 -1.025 1.00 0.00 H new ATOM 702 N LEU A 48 -2.516 4.756 0.922 1.00 0.00 N ATOM 703 CA LEU A 48 -2.704 4.850 2.396 1.00 0.00 C ATOM 704 C LEU A 48 -4.168 5.155 2.746 1.00 0.00 C ATOM 705 O LEU A 48 -4.757 4.486 3.567 1.00 0.00 O ATOM 706 CB LEU A 48 -1.788 5.953 2.944 1.00 0.00 C ATOM 707 CG LEU A 48 -1.950 6.085 4.467 1.00 0.00 C ATOM 708 CD1 LEU A 48 -1.588 4.756 5.155 1.00 0.00 C ATOM 709 CD2 LEU A 48 -1.013 7.190 4.968 1.00 0.00 C ATOM 0 H LEU A 48 -1.858 5.426 0.525 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.446 3.893 2.850 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.750 5.725 2.702 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.026 6.902 2.464 1.00 0.00 H new ATOM 0 HG LEU A 48 -2.985 6.333 4.703 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -1.706 4.861 6.234 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.247 3.967 4.793 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.554 4.498 4.927 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -1.118 7.294 6.048 1.00 0.00 H new ATOM 0 HD22 LEU A 48 0.018 6.930 4.727 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.272 8.133 4.486 1.00 0.00 H new ATOM 721 N GLU A 49 -4.766 6.153 2.141 1.00 0.00 N ATOM 722 CA GLU A 49 -6.190 6.476 2.479 1.00 0.00 C ATOM 723 C GLU A 49 -7.091 5.279 2.179 1.00 0.00 C ATOM 724 O GLU A 49 -8.024 5.002 2.906 1.00 0.00 O ATOM 725 CB GLU A 49 -6.674 7.698 1.688 1.00 0.00 C ATOM 726 CG GLU A 49 -6.344 7.528 0.209 1.00 0.00 C ATOM 727 CD GLU A 49 -6.916 8.712 -0.574 1.00 0.00 C ATOM 728 OE1 GLU A 49 -7.720 9.436 -0.011 1.00 0.00 O ATOM 729 OE2 GLU A 49 -6.543 8.874 -1.724 1.00 0.00 O ATOM 0 H GLU A 49 -4.337 6.752 1.436 1.00 0.00 H new ATOM 0 HA GLU A 49 -6.241 6.706 3.543 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -7.749 7.822 1.817 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -6.201 8.601 2.073 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -5.264 7.472 0.069 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -6.763 6.593 -0.164 1.00 0.00 H new ATOM 736 N SER A 50 -6.828 4.559 1.125 1.00 0.00 N ATOM 737 CA SER A 50 -7.687 3.383 0.814 1.00 0.00 C ATOM 738 C SER A 50 -7.583 2.390 1.972 1.00 0.00 C ATOM 739 O SER A 50 -8.553 1.777 2.370 1.00 0.00 O ATOM 740 CB SER A 50 -7.208 2.718 -0.477 1.00 0.00 C ATOM 741 OG SER A 50 -6.005 2.007 -0.219 1.00 0.00 O ATOM 0 H SER A 50 -6.064 4.731 0.471 1.00 0.00 H new ATOM 0 HA SER A 50 -8.721 3.701 0.682 1.00 0.00 H new ATOM 0 HB2 SER A 50 -7.972 2.039 -0.855 1.00 0.00 H new ATOM 0 HB3 SER A 50 -7.041 3.471 -1.248 1.00 0.00 H new ATOM 0 HG SER A 50 -5.255 2.637 -0.179 1.00 0.00 H new ATOM 747 N LEU A 51 -6.408 2.237 2.517 1.00 0.00 N ATOM 748 CA LEU A 51 -6.221 1.296 3.658 1.00 0.00 C ATOM 749 C LEU A 51 -6.944 1.841 4.895 1.00 0.00 C ATOM 750 O LEU A 51 -7.540 1.102 5.653 1.00 0.00 O ATOM 751 CB LEU A 51 -4.728 1.157 3.965 1.00 0.00 C ATOM 752 CG LEU A 51 -4.015 0.452 2.801 1.00 0.00 C ATOM 753 CD1 LEU A 51 -2.501 0.532 3.021 1.00 0.00 C ATOM 754 CD2 LEU A 51 -4.453 -1.025 2.714 1.00 0.00 C ATOM 0 H LEU A 51 -5.564 2.726 2.219 1.00 0.00 H new ATOM 0 HA LEU A 51 -6.633 0.322 3.395 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -4.289 2.141 4.129 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.589 0.589 4.885 1.00 0.00 H new ATOM 0 HG LEU A 51 -4.281 0.946 1.866 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.987 0.034 2.199 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.194 1.577 3.061 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.243 0.042 3.960 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.938 -1.509 1.884 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -4.201 -1.535 3.644 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -5.530 -1.076 2.552 1.00 0.00 H new ATOM 766 N ILE A 52 -6.889 3.129 5.106 1.00 0.00 N ATOM 767 CA ILE A 52 -7.565 3.724 6.296 1.00 0.00 C ATOM 768 C ILE A 52 -9.035 3.295 6.315 1.00 0.00 C ATOM 769 O ILE A 52 -9.711 3.417 7.317 1.00 0.00 O ATOM 770 CB ILE A 52 -7.471 5.259 6.225 1.00 0.00 C ATOM 771 CG1 ILE A 52 -6.011 5.721 6.396 1.00 0.00 C ATOM 772 CG2 ILE A 52 -8.337 5.894 7.312 1.00 0.00 C ATOM 773 CD1 ILE A 52 -5.413 5.219 7.722 1.00 0.00 C ATOM 0 H ILE A 52 -6.405 3.796 4.505 1.00 0.00 H new ATOM 0 HA ILE A 52 -7.077 3.376 7.206 1.00 0.00 H new ATOM 0 HB ILE A 52 -7.831 5.576 5.246 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -5.412 5.353 5.563 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -5.967 6.810 6.364 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -8.261 6.980 7.250 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -9.376 5.594 7.171 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -7.993 5.562 8.292 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.382 5.563 7.810 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -5.998 5.608 8.555 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -5.434 4.129 7.741 1.00 0.00 H new ATOM 785 N ASN A 53 -9.536 2.787 5.220 1.00 0.00 N ATOM 786 CA ASN A 53 -10.961 2.346 5.189 1.00 0.00 C ATOM 787 C ASN A 53 -11.056 0.915 5.729 1.00 0.00 C ATOM 788 O ASN A 53 -12.126 0.422 6.027 1.00 0.00 O ATOM 789 CB ASN A 53 -11.477 2.389 3.749 1.00 0.00 C ATOM 790 CG ASN A 53 -11.581 3.845 3.291 1.00 0.00 C ATOM 791 OD1 ASN A 53 -10.893 4.241 2.256 1.00 0.00 O flip ATOM 792 ND2 ASN A 53 -12.293 4.631 3.885 1.00 0.00 N flip ATOM 0 H ASN A 53 -9.022 2.659 4.348 1.00 0.00 H new ATOM 0 HA ASN A 53 -11.566 3.010 5.807 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -10.804 1.837 3.093 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -12.452 1.906 3.686 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -12.831 4.321 4.694 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -12.353 5.601 3.574 1.00 0.00 H new ATOM 799 N VAL A 54 -9.938 0.248 5.865 1.00 0.00 N ATOM 800 CA VAL A 54 -9.948 -1.151 6.396 1.00 0.00 C ATOM 801 C VAL A 54 -9.775 -1.114 7.916 1.00 0.00 C ATOM 802 O VAL A 54 -8.855 -0.508 8.428 1.00 0.00 O ATOM 803 CB VAL A 54 -8.797 -1.944 5.773 1.00 0.00 C ATOM 804 CG1 VAL A 54 -8.802 -3.372 6.325 1.00 0.00 C ATOM 805 CG2 VAL A 54 -8.970 -1.985 4.252 1.00 0.00 C ATOM 0 H VAL A 54 -9.015 0.613 5.630 1.00 0.00 H new ATOM 0 HA VAL A 54 -10.895 -1.630 6.145 1.00 0.00 H new ATOM 0 HB VAL A 54 -7.850 -1.463 6.019 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -7.982 -3.937 5.881 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -8.679 -3.344 7.408 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -9.749 -3.854 6.080 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -8.150 -2.550 3.808 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -9.917 -2.466 4.006 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -8.966 -0.969 3.858 1.00 0.00 H new ATOM 815 N SER A 55 -10.659 -1.756 8.641 1.00 0.00 N ATOM 816 CA SER A 55 -10.565 -1.766 10.138 1.00 0.00 C ATOM 817 C SER A 55 -10.650 -3.206 10.650 1.00 0.00 C ATOM 818 O SER A 55 -11.285 -4.051 10.051 1.00 0.00 O ATOM 819 CB SER A 55 -11.724 -0.954 10.719 1.00 0.00 C ATOM 820 OG SER A 55 -11.567 0.411 10.353 1.00 0.00 O ATOM 0 H SER A 55 -11.448 -2.278 8.259 1.00 0.00 H new ATOM 0 HA SER A 55 -9.615 -1.329 10.446 1.00 0.00 H new ATOM 0 HB2 SER A 55 -12.674 -1.336 10.346 1.00 0.00 H new ATOM 0 HB3 SER A 55 -11.745 -1.052 11.804 1.00 0.00 H new ATOM 0 HG SER A 55 -12.308 0.936 10.721 1.00 0.00 H new ATOM 826 N GLY A 56 -10.018 -3.492 11.759 1.00 0.00 N ATOM 827 CA GLY A 56 -10.068 -4.877 12.315 1.00 0.00 C ATOM 828 C GLY A 56 -8.994 -5.748 11.658 1.00 0.00 C ATOM 829 O GLY A 56 -9.179 -6.934 11.469 1.00 0.00 O ATOM 0 H GLY A 56 -9.470 -2.826 12.303 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -9.915 -4.850 13.394 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -11.053 -5.310 12.144 1.00 0.00 H new ATOM 833 N CYS A 57 -7.871 -5.175 11.309 1.00 0.00 N ATOM 834 CA CYS A 57 -6.783 -5.977 10.667 1.00 0.00 C ATOM 835 C CYS A 57 -5.422 -5.465 11.148 1.00 0.00 C ATOM 836 O CYS A 57 -4.848 -4.560 10.576 1.00 0.00 O ATOM 837 CB CYS A 57 -6.881 -5.840 9.145 1.00 0.00 C ATOM 838 SG CYS A 57 -8.324 -6.763 8.554 1.00 0.00 S ATOM 0 H CYS A 57 -7.659 -4.186 11.440 1.00 0.00 H new ATOM 0 HA CYS A 57 -6.890 -7.027 10.941 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -6.968 -4.790 8.868 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -5.974 -6.220 8.675 1.00 0.00 H new ATOM 843 N SER A 58 -4.905 -6.041 12.200 1.00 0.00 N ATOM 844 CA SER A 58 -3.584 -5.599 12.735 1.00 0.00 C ATOM 845 C SER A 58 -2.469 -6.005 11.767 1.00 0.00 C ATOM 846 O SER A 58 -1.411 -5.409 11.733 1.00 0.00 O ATOM 847 CB SER A 58 -3.341 -6.257 14.093 1.00 0.00 C ATOM 848 OG SER A 58 -2.122 -5.771 14.640 1.00 0.00 O ATOM 0 H SER A 58 -5.344 -6.804 12.715 1.00 0.00 H new ATOM 0 HA SER A 58 -3.586 -4.515 12.847 1.00 0.00 H new ATOM 0 HB2 SER A 58 -4.168 -6.039 14.769 1.00 0.00 H new ATOM 0 HB3 SER A 58 -3.297 -7.340 13.982 1.00 0.00 H new ATOM 0 HG SER A 58 -1.964 -6.190 15.512 1.00 0.00 H new ATOM 854 N ALA A 59 -2.696 -7.028 10.995 1.00 0.00 N ATOM 855 CA ALA A 59 -1.657 -7.503 10.038 1.00 0.00 C ATOM 856 C ALA A 59 -1.213 -6.375 9.095 1.00 0.00 C ATOM 857 O ALA A 59 -0.069 -6.324 8.688 1.00 0.00 O ATOM 858 CB ALA A 59 -2.230 -8.657 9.210 1.00 0.00 C ATOM 0 H ALA A 59 -3.565 -7.562 10.985 1.00 0.00 H new ATOM 0 HA ALA A 59 -0.789 -7.836 10.607 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -1.475 -9.010 8.507 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -2.518 -9.473 9.873 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -3.105 -8.311 8.660 1.00 0.00 H new ATOM 864 N ILE A 60 -2.105 -5.490 8.712 1.00 0.00 N ATOM 865 CA ILE A 60 -1.715 -4.398 7.757 1.00 0.00 C ATOM 866 C ILE A 60 -1.417 -3.087 8.495 1.00 0.00 C ATOM 867 O ILE A 60 -0.983 -2.125 7.893 1.00 0.00 O ATOM 868 CB ILE A 60 -2.858 -4.174 6.759 1.00 0.00 C ATOM 869 CG1 ILE A 60 -4.128 -3.736 7.501 1.00 0.00 C ATOM 870 CG2 ILE A 60 -3.138 -5.477 6.004 1.00 0.00 C ATOM 871 CD1 ILE A 60 -5.246 -3.487 6.486 1.00 0.00 C ATOM 0 H ILE A 60 -3.079 -5.475 9.016 1.00 0.00 H new ATOM 0 HA ILE A 60 -0.808 -4.704 7.235 1.00 0.00 H new ATOM 0 HB ILE A 60 -2.567 -3.394 6.056 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -4.431 -4.505 8.212 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -3.934 -2.830 8.075 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -3.950 -5.319 5.294 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -2.241 -5.786 5.466 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -3.422 -6.255 6.713 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -6.150 -3.176 7.009 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -4.940 -2.704 5.793 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -5.445 -4.404 5.932 1.00 0.00 H new ATOM 883 N GLU A 61 -1.624 -3.022 9.782 1.00 0.00 N ATOM 884 CA GLU A 61 -1.317 -1.746 10.489 1.00 0.00 C ATOM 885 C GLU A 61 0.166 -1.427 10.307 1.00 0.00 C ATOM 886 O GLU A 61 0.540 -0.295 10.071 1.00 0.00 O ATOM 887 CB GLU A 61 -1.651 -1.868 11.976 1.00 0.00 C ATOM 888 CG GLU A 61 -3.170 -1.837 12.158 1.00 0.00 C ATOM 889 CD GLU A 61 -3.513 -2.053 13.633 1.00 0.00 C ATOM 890 OE1 GLU A 61 -2.596 -2.069 14.438 1.00 0.00 O ATOM 891 OE2 GLU A 61 -4.687 -2.197 13.934 1.00 0.00 O ATOM 0 H GLU A 61 -1.984 -3.778 10.364 1.00 0.00 H new ATOM 0 HA GLU A 61 -1.921 -0.942 10.069 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -1.244 -2.796 12.377 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -1.190 -1.052 12.532 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -3.568 -0.881 11.818 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -3.636 -2.611 11.548 1.00 0.00 H new ATOM 898 N LYS A 62 1.017 -2.416 10.384 1.00 0.00 N ATOM 899 CA LYS A 62 2.467 -2.146 10.179 1.00 0.00 C ATOM 900 C LYS A 62 2.660 -1.631 8.755 1.00 0.00 C ATOM 901 O LYS A 62 3.431 -0.726 8.506 1.00 0.00 O ATOM 902 CB LYS A 62 3.283 -3.430 10.366 1.00 0.00 C ATOM 903 CG LYS A 62 3.280 -3.836 11.841 1.00 0.00 C ATOM 904 CD LYS A 62 4.097 -5.119 12.017 1.00 0.00 C ATOM 905 CE LYS A 62 4.098 -5.528 13.491 1.00 0.00 C ATOM 906 NZ LYS A 62 5.093 -6.616 13.704 1.00 0.00 N ATOM 0 H LYS A 62 0.773 -3.387 10.578 1.00 0.00 H new ATOM 0 HA LYS A 62 2.807 -1.409 10.907 1.00 0.00 H new ATOM 0 HB2 LYS A 62 2.862 -4.231 9.758 1.00 0.00 H new ATOM 0 HB3 LYS A 62 4.306 -3.274 10.024 1.00 0.00 H new ATOM 0 HG2 LYS A 62 3.702 -3.037 12.450 1.00 0.00 H new ATOM 0 HG3 LYS A 62 2.257 -3.993 12.184 1.00 0.00 H new ATOM 0 HD2 LYS A 62 3.674 -5.918 11.408 1.00 0.00 H new ATOM 0 HD3 LYS A 62 5.119 -4.962 11.672 1.00 0.00 H new ATOM 0 HE2 LYS A 62 4.342 -4.670 14.117 1.00 0.00 H new ATOM 0 HE3 LYS A 62 3.105 -5.866 13.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 5.094 -6.894 14.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 4.841 -7.437 13.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 6.040 -6.278 13.438 1.00 0.00 H new ATOM 920 N THR A 63 1.953 -2.205 7.819 1.00 0.00 N ATOM 921 CA THR A 63 2.077 -1.759 6.405 1.00 0.00 C ATOM 922 C THR A 63 1.694 -0.283 6.293 1.00 0.00 C ATOM 923 O THR A 63 2.317 0.475 5.578 1.00 0.00 O ATOM 924 CB THR A 63 1.152 -2.609 5.523 1.00 0.00 C ATOM 925 OG1 THR A 63 1.527 -3.975 5.628 1.00 0.00 O ATOM 926 CG2 THR A 63 1.251 -2.159 4.062 1.00 0.00 C ATOM 0 H THR A 63 1.293 -2.967 7.976 1.00 0.00 H new ATOM 0 HA THR A 63 3.108 -1.882 6.072 1.00 0.00 H new ATOM 0 HB THR A 63 0.123 -2.483 5.860 1.00 0.00 H new ATOM 0 HG1 THR A 63 0.937 -4.520 5.067 1.00 0.00 H new ATOM 0 HG21 THR A 63 0.590 -2.770 3.447 1.00 0.00 H new ATOM 0 HG22 THR A 63 0.956 -1.113 3.983 1.00 0.00 H new ATOM 0 HG23 THR A 63 2.278 -2.274 3.715 1.00 0.00 H new ATOM 934 N GLN A 64 0.676 0.138 6.993 1.00 0.00 N ATOM 935 CA GLN A 64 0.271 1.569 6.916 1.00 0.00 C ATOM 936 C GLN A 64 1.426 2.459 7.384 1.00 0.00 C ATOM 937 O GLN A 64 1.701 3.491 6.804 1.00 0.00 O ATOM 938 CB GLN A 64 -0.946 1.809 7.812 1.00 0.00 C ATOM 939 CG GLN A 64 -2.173 1.126 7.206 1.00 0.00 C ATOM 940 CD GLN A 64 -3.347 1.231 8.181 1.00 0.00 C ATOM 941 OE1 GLN A 64 -3.155 1.457 9.359 1.00 0.00 O ATOM 942 NE2 GLN A 64 -4.565 1.074 7.738 1.00 0.00 N ATOM 0 H GLN A 64 0.111 -0.444 7.611 1.00 0.00 H new ATOM 0 HA GLN A 64 0.018 1.813 5.884 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -0.757 1.418 8.812 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -1.128 2.879 7.917 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -2.432 1.595 6.256 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -1.953 0.079 6.996 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -4.727 0.884 6.749 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -5.354 1.141 8.381 1.00 0.00 H new ATOM 951 N ARG A 65 2.103 2.072 8.434 1.00 0.00 N ATOM 952 CA ARG A 65 3.235 2.903 8.939 1.00 0.00 C ATOM 953 C ARG A 65 4.325 2.994 7.871 1.00 0.00 C ATOM 954 O ARG A 65 4.805 4.065 7.555 1.00 0.00 O ATOM 955 CB ARG A 65 3.805 2.271 10.211 1.00 0.00 C ATOM 956 CG ARG A 65 4.902 3.171 10.793 1.00 0.00 C ATOM 957 CD ARG A 65 5.462 2.527 12.063 1.00 0.00 C ATOM 958 NE ARG A 65 6.397 3.480 12.753 1.00 0.00 N ATOM 959 CZ ARG A 65 7.464 3.949 12.163 1.00 0.00 C ATOM 960 NH1 ARG A 65 7.838 3.485 11.003 1.00 0.00 N ATOM 961 NH2 ARG A 65 8.189 4.855 12.762 1.00 0.00 N ATOM 0 H ARG A 65 1.921 1.219 8.962 1.00 0.00 H new ATOM 0 HA ARG A 65 2.875 3.906 9.166 1.00 0.00 H new ATOM 0 HB2 ARG A 65 3.011 2.129 10.945 1.00 0.00 H new ATOM 0 HB3 ARG A 65 4.212 1.285 9.987 1.00 0.00 H new ATOM 0 HG2 ARG A 65 5.698 3.313 10.062 1.00 0.00 H new ATOM 0 HG3 ARG A 65 4.497 4.157 11.019 1.00 0.00 H new ATOM 0 HD2 ARG A 65 4.646 2.256 12.733 1.00 0.00 H new ATOM 0 HD3 ARG A 65 5.988 1.606 11.812 1.00 0.00 H new ATOM 0 HE ARG A 65 6.193 3.769 13.710 1.00 0.00 H new ATOM 0 HH11 ARG A 65 7.296 2.750 10.549 1.00 0.00 H new ATOM 0 HH12 ARG A 65 8.673 3.857 10.550 1.00 0.00 H new ATOM 0 HH21 ARG A 65 7.921 5.193 13.686 1.00 0.00 H new ATOM 0 HH22 ARG A 65 9.023 5.224 12.306 1.00 0.00 H new ATOM 975 N MET A 66 4.724 1.884 7.311 1.00 0.00 N ATOM 976 CA MET A 66 5.784 1.928 6.266 1.00 0.00 C ATOM 977 C MET A 66 5.294 2.793 5.102 1.00 0.00 C ATOM 978 O MET A 66 6.031 3.584 4.548 1.00 0.00 O ATOM 979 CB MET A 66 6.071 0.510 5.768 1.00 0.00 C ATOM 980 CG MET A 66 6.778 -0.289 6.869 1.00 0.00 C ATOM 981 SD MET A 66 7.367 -1.866 6.199 1.00 0.00 S ATOM 982 CE MET A 66 5.756 -2.674 6.032 1.00 0.00 C ATOM 0 H MET A 66 4.364 0.955 7.531 1.00 0.00 H new ATOM 0 HA MET A 66 6.698 2.352 6.682 1.00 0.00 H new ATOM 0 HB2 MET A 66 5.140 0.017 5.488 1.00 0.00 H new ATOM 0 HB3 MET A 66 6.694 0.547 4.874 1.00 0.00 H new ATOM 0 HG2 MET A 66 7.616 0.284 7.266 1.00 0.00 H new ATOM 0 HG3 MET A 66 6.093 -0.468 7.698 1.00 0.00 H new ATOM 0 HE1 MET A 66 5.894 -3.683 5.645 1.00 0.00 H new ATOM 0 HE2 MET A 66 5.270 -2.722 7.007 1.00 0.00 H new ATOM 0 HE3 MET A 66 5.132 -2.103 5.344 1.00 0.00 H new ATOM 992 N LEU A 67 4.046 2.654 4.741 1.00 0.00 N ATOM 993 CA LEU A 67 3.486 3.473 3.628 1.00 0.00 C ATOM 994 C LEU A 67 3.492 4.944 4.041 1.00 0.00 C ATOM 995 O LEU A 67 3.782 5.823 3.253 1.00 0.00 O ATOM 996 CB LEU A 67 2.045 3.039 3.344 1.00 0.00 C ATOM 997 CG LEU A 67 2.014 1.638 2.713 1.00 0.00 C ATOM 998 CD1 LEU A 67 0.568 1.138 2.701 1.00 0.00 C ATOM 999 CD2 LEU A 67 2.540 1.681 1.266 1.00 0.00 C ATOM 0 H LEU A 67 3.388 2.005 5.172 1.00 0.00 H new ATOM 0 HA LEU A 67 4.091 3.333 2.732 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.471 3.039 4.270 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.569 3.756 2.674 1.00 0.00 H new ATOM 0 HG LEU A 67 2.649 0.971 3.297 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.530 0.144 2.256 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.190 1.092 3.722 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -0.048 1.821 2.116 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.510 0.679 0.838 1.00 0.00 H new ATOM 0 HD22 LEU A 67 1.916 2.349 0.672 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.567 2.046 1.263 1.00 0.00 H new ATOM 1011 N SER A 68 3.165 5.216 5.274 1.00 0.00 N ATOM 1012 CA SER A 68 3.140 6.625 5.749 1.00 0.00 C ATOM 1013 C SER A 68 4.525 7.240 5.558 1.00 0.00 C ATOM 1014 O SER A 68 4.659 8.388 5.181 1.00 0.00 O ATOM 1015 CB SER A 68 2.763 6.656 7.231 1.00 0.00 C ATOM 1016 OG SER A 68 1.401 6.276 7.376 1.00 0.00 O ATOM 0 H SER A 68 2.913 4.519 5.975 1.00 0.00 H new ATOM 0 HA SER A 68 2.405 7.194 5.180 1.00 0.00 H new ATOM 0 HB2 SER A 68 3.404 5.979 7.796 1.00 0.00 H new ATOM 0 HB3 SER A 68 2.919 7.655 7.637 1.00 0.00 H new ATOM 0 HG SER A 68 1.310 5.315 7.208 1.00 0.00 H new ATOM 1022 N GLY A 69 5.558 6.486 5.813 1.00 0.00 N ATOM 1023 CA GLY A 69 6.934 7.031 5.642 1.00 0.00 C ATOM 1024 C GLY A 69 7.057 7.685 4.262 1.00 0.00 C ATOM 1025 O GLY A 69 7.803 8.626 4.078 1.00 0.00 O ATOM 0 H GLY A 69 5.509 5.518 6.132 1.00 0.00 H new ATOM 0 HA2 GLY A 69 7.147 7.761 6.423 1.00 0.00 H new ATOM 0 HA3 GLY A 69 7.668 6.232 5.744 1.00 0.00 H new ATOM 1029 N PHE A 70 6.323 7.203 3.291 1.00 0.00 N ATOM 1030 CA PHE A 70 6.391 7.805 1.922 1.00 0.00 C ATOM 1031 C PHE A 70 5.287 8.856 1.782 1.00 0.00 C ATOM 1032 O PHE A 70 5.153 9.498 0.759 1.00 0.00 O ATOM 1033 CB PHE A 70 6.165 6.719 0.867 1.00 0.00 C ATOM 1034 CG PHE A 70 7.307 5.731 0.880 1.00 0.00 C ATOM 1035 CD1 PHE A 70 8.427 5.947 0.069 1.00 0.00 C ATOM 1036 CD2 PHE A 70 7.238 4.591 1.689 1.00 0.00 C ATOM 1037 CE1 PHE A 70 9.479 5.025 0.066 1.00 0.00 C ATOM 1038 CE2 PHE A 70 8.292 3.668 1.689 1.00 0.00 C ATOM 1039 CZ PHE A 70 9.413 3.885 0.877 1.00 0.00 C ATOM 0 H PHE A 70 5.679 6.418 3.386 1.00 0.00 H new ATOM 0 HA PHE A 70 7.371 8.260 1.779 1.00 0.00 H new ATOM 0 HB2 PHE A 70 5.226 6.202 1.063 1.00 0.00 H new ATOM 0 HB3 PHE A 70 6.079 7.173 -0.120 1.00 0.00 H new ATOM 0 HD1 PHE A 70 8.479 6.827 -0.555 1.00 0.00 H new ATOM 0 HD2 PHE A 70 6.373 4.423 2.313 1.00 0.00 H new ATOM 0 HE1 PHE A 70 10.342 5.192 -0.562 1.00 0.00 H new ATOM 0 HE2 PHE A 70 8.240 2.789 2.315 1.00 0.00 H new ATOM 0 HZ PHE A 70 10.226 3.174 0.876 1.00 0.00 H new ATOM 1049 N CYS A 71 4.487 9.023 2.803 1.00 0.00 N ATOM 1050 CA CYS A 71 3.368 10.015 2.752 1.00 0.00 C ATOM 1051 C CYS A 71 3.343 10.814 4.069 1.00 0.00 C ATOM 1052 O CYS A 71 2.608 10.482 4.976 1.00 0.00 O ATOM 1053 CB CYS A 71 2.054 9.249 2.598 1.00 0.00 C ATOM 1054 SG CYS A 71 0.724 10.402 2.194 1.00 0.00 S ATOM 0 H CYS A 71 4.561 8.509 3.681 1.00 0.00 H new ATOM 0 HA CYS A 71 3.504 10.700 1.915 1.00 0.00 H new ATOM 0 HB2 CYS A 71 2.149 8.498 1.813 1.00 0.00 H new ATOM 0 HB3 CYS A 71 1.821 8.718 3.521 1.00 0.00 H new ATOM 1059 N PRO A 72 4.156 11.846 4.190 1.00 0.00 N ATOM 1060 CA PRO A 72 4.209 12.652 5.450 1.00 0.00 C ATOM 1061 C PRO A 72 2.848 13.219 5.894 1.00 0.00 C ATOM 1062 O PRO A 72 2.661 13.541 7.051 1.00 0.00 O ATOM 1063 CB PRO A 72 5.194 13.777 5.079 1.00 0.00 C ATOM 1064 CG PRO A 72 5.925 13.360 3.792 1.00 0.00 C ATOM 1065 CD PRO A 72 5.076 12.284 3.098 1.00 0.00 C ATOM 0 HA PRO A 72 4.511 12.049 6.306 1.00 0.00 H new ATOM 0 HB2 PRO A 72 4.661 14.716 4.928 1.00 0.00 H new ATOM 0 HB3 PRO A 72 5.907 13.941 5.887 1.00 0.00 H new ATOM 0 HG2 PRO A 72 6.064 14.219 3.136 1.00 0.00 H new ATOM 0 HG3 PRO A 72 6.917 12.973 4.024 1.00 0.00 H new ATOM 0 HD2 PRO A 72 4.530 12.686 2.244 1.00 0.00 H new ATOM 0 HD3 PRO A 72 5.687 11.461 2.727 1.00 0.00 H new ATOM 1073 N HIS A 73 1.896 13.351 5.004 1.00 0.00 N ATOM 1074 CA HIS A 73 0.568 13.906 5.424 1.00 0.00 C ATOM 1075 C HIS A 73 -0.340 12.759 5.884 1.00 0.00 C ATOM 1076 O HIS A 73 -0.610 11.828 5.152 1.00 0.00 O ATOM 1077 CB HIS A 73 -0.072 14.678 4.255 1.00 0.00 C ATOM 1078 CG HIS A 73 -0.660 13.734 3.241 1.00 0.00 C ATOM 1079 ND1 HIS A 73 -1.962 13.266 3.336 1.00 0.00 N ATOM 1080 CD2 HIS A 73 -0.146 13.179 2.097 1.00 0.00 C ATOM 1081 CE1 HIS A 73 -2.184 12.469 2.276 1.00 0.00 C ATOM 1082 NE2 HIS A 73 -1.110 12.381 1.489 1.00 0.00 N ATOM 0 H HIS A 73 1.976 13.103 4.018 1.00 0.00 H new ATOM 0 HA HIS A 73 0.705 14.599 6.254 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -0.850 15.340 4.635 1.00 0.00 H new ATOM 0 HB3 HIS A 73 0.678 15.309 3.778 1.00 0.00 H new ATOM 0 HD1 HIS A 73 -2.629 13.486 4.075 1.00 0.00 H new ATOM 0 HD2 HIS A 73 0.855 13.337 1.725 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -3.118 11.962 2.085 1.00 0.00 H new ATOM 1090 N LYS A 74 -0.791 12.820 7.109 1.00 0.00 N ATOM 1091 CA LYS A 74 -1.662 11.739 7.656 1.00 0.00 C ATOM 1092 C LYS A 74 -3.098 11.890 7.143 1.00 0.00 C ATOM 1093 O LYS A 74 -3.602 12.985 6.991 1.00 0.00 O ATOM 1094 CB LYS A 74 -1.672 11.834 9.186 1.00 0.00 C ATOM 1095 CG LYS A 74 -0.253 11.643 9.745 1.00 0.00 C ATOM 1096 CD LYS A 74 0.123 10.156 9.758 1.00 0.00 C ATOM 1097 CE LYS A 74 1.414 9.967 10.556 1.00 0.00 C ATOM 1098 NZ LYS A 74 1.870 8.553 10.435 1.00 0.00 N ATOM 0 H LYS A 74 -0.591 13.580 7.760 1.00 0.00 H new ATOM 0 HA LYS A 74 -1.270 10.775 7.333 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -2.063 12.804 9.494 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -2.337 11.076 9.599 1.00 0.00 H new ATOM 0 HG2 LYS A 74 0.461 12.200 9.138 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -0.196 12.047 10.756 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -0.681 9.570 10.202 1.00 0.00 H new ATOM 0 HD3 LYS A 74 0.256 9.794 8.739 1.00 0.00 H new ATOM 0 HE2 LYS A 74 2.185 10.642 10.185 1.00 0.00 H new ATOM 0 HE3 LYS A 74 1.247 10.218 11.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 2.397 8.284 11.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 1.044 7.930 10.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 2.488 8.457 9.604 1.00 0.00 H new ATOM 1112 N VAL A 75 -3.767 10.785 6.899 1.00 0.00 N ATOM 1113 CA VAL A 75 -5.184 10.824 6.420 1.00 0.00 C ATOM 1114 C VAL A 75 -6.081 10.192 7.489 1.00 0.00 C ATOM 1115 O VAL A 75 -5.825 9.104 7.967 1.00 0.00 O ATOM 1116 CB VAL A 75 -5.305 10.036 5.100 1.00 0.00 C ATOM 1117 CG1 VAL A 75 -5.020 10.962 3.910 1.00 0.00 C ATOM 1118 CG2 VAL A 75 -4.295 8.882 5.099 1.00 0.00 C ATOM 0 H VAL A 75 -3.384 9.847 7.014 1.00 0.00 H new ATOM 0 HA VAL A 75 -5.491 11.855 6.244 1.00 0.00 H new ATOM 0 HB VAL A 75 -6.316 9.639 5.012 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -5.107 10.398 2.981 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -5.739 11.781 3.906 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -4.011 11.365 3.996 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -4.380 8.325 4.166 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -3.285 9.282 5.192 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -4.501 8.218 5.938 1.00 0.00 H new ATOM 1128 N SER A 76 -7.133 10.870 7.865 1.00 0.00 N ATOM 1129 CA SER A 76 -8.057 10.320 8.901 1.00 0.00 C ATOM 1130 C SER A 76 -9.230 9.628 8.206 1.00 0.00 C ATOM 1131 O SER A 76 -9.436 9.782 7.019 1.00 0.00 O ATOM 1132 CB SER A 76 -8.580 11.464 9.772 1.00 0.00 C ATOM 1133 OG SER A 76 -9.562 10.961 10.669 1.00 0.00 O ATOM 0 H SER A 76 -7.393 11.785 7.498 1.00 0.00 H new ATOM 0 HA SER A 76 -7.527 9.602 9.527 1.00 0.00 H new ATOM 0 HB2 SER A 76 -7.760 11.916 10.329 1.00 0.00 H new ATOM 0 HB3 SER A 76 -9.009 12.246 9.146 1.00 0.00 H new ATOM 0 HG SER A 76 -9.898 11.691 11.230 1.00 0.00 H new ATOM 1139 N ALA A 77 -9.997 8.863 8.931 1.00 0.00 N ATOM 1140 CA ALA A 77 -11.152 8.159 8.304 1.00 0.00 C ATOM 1141 C ALA A 77 -12.150 9.184 7.763 1.00 0.00 C ATOM 1142 O ALA A 77 -13.134 8.833 7.145 1.00 0.00 O ATOM 1143 CB ALA A 77 -11.837 7.272 9.344 1.00 0.00 C ATOM 0 H ALA A 77 -9.875 8.694 9.930 1.00 0.00 H new ATOM 0 HA ALA A 77 -10.793 7.540 7.482 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -12.681 6.758 8.884 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -11.126 6.537 9.720 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -12.193 7.888 10.170 1.00 0.00 H new ATOM 1149 N GLY A 78 -11.902 10.449 7.990 1.00 0.00 N ATOM 1150 CA GLY A 78 -12.833 11.512 7.489 1.00 0.00 C ATOM 1151 C GLY A 78 -12.171 12.268 6.335 1.00 0.00 C ATOM 1152 O GLY A 78 -12.834 12.769 5.448 1.00 0.00 O ATOM 0 H GLY A 78 -11.091 10.795 8.503 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -13.768 11.063 7.155 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -13.081 12.202 8.295 1.00 0.00 H new ATOM 1156 N GLN A 79 -10.867 12.361 6.342 1.00 0.00 N ATOM 1157 CA GLN A 79 -10.156 13.091 5.250 1.00 0.00 C ATOM 1158 C GLN A 79 -9.780 12.120 4.126 1.00 0.00 C ATOM 1159 O GLN A 79 -9.053 11.169 4.334 1.00 0.00 O ATOM 1160 CB GLN A 79 -8.882 13.722 5.817 1.00 0.00 C ATOM 1161 CG GLN A 79 -9.252 14.874 6.753 1.00 0.00 C ATOM 1162 CD GLN A 79 -7.977 15.503 7.317 1.00 0.00 C ATOM 1163 OE1 GLN A 79 -6.838 14.884 7.166 1.00 0.00 O flip ATOM 1164 NE2 GLN A 79 -8.018 16.566 7.904 1.00 0.00 N flip ATOM 0 H GLN A 79 -10.262 11.962 7.059 1.00 0.00 H new ATOM 0 HA GLN A 79 -10.811 13.864 4.849 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -8.303 12.973 6.357 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -8.253 14.087 5.005 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -9.832 15.623 6.214 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -9.880 14.509 7.566 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -8.908 17.050 8.022 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -7.162 16.975 8.279 1.00 0.00 H new ATOM 1173 N PHE A 80 -10.261 12.367 2.932 1.00 0.00 N ATOM 1174 CA PHE A 80 -9.932 11.482 1.768 1.00 0.00 C ATOM 1175 C PHE A 80 -9.453 12.355 0.607 1.00 0.00 C ATOM 1176 O PHE A 80 -9.824 13.507 0.505 1.00 0.00 O ATOM 1177 CB PHE A 80 -11.173 10.708 1.331 1.00 0.00 C ATOM 1178 CG PHE A 80 -11.637 9.799 2.444 1.00 0.00 C ATOM 1179 CD1 PHE A 80 -11.085 8.519 2.575 1.00 0.00 C ATOM 1180 CD2 PHE A 80 -12.623 10.232 3.338 1.00 0.00 C ATOM 1181 CE1 PHE A 80 -11.519 7.672 3.601 1.00 0.00 C ATOM 1182 CE2 PHE A 80 -13.058 9.383 4.363 1.00 0.00 C ATOM 1183 CZ PHE A 80 -12.506 8.103 4.495 1.00 0.00 C ATOM 0 H PHE A 80 -10.874 13.152 2.711 1.00 0.00 H new ATOM 0 HA PHE A 80 -9.155 10.775 2.058 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -11.969 11.403 1.063 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -10.950 10.120 0.440 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -10.325 8.185 1.884 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -13.048 11.220 3.237 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -11.092 6.685 3.703 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -13.820 9.716 5.052 1.00 0.00 H new ATOM 0 HZ PHE A 80 -12.842 7.449 5.286 1.00 0.00 H new ATOM 1193 N SER A 81 -8.616 11.825 -0.259 1.00 0.00 N ATOM 1194 CA SER A 81 -8.095 12.635 -1.413 1.00 0.00 C ATOM 1195 C SER A 81 -8.418 11.965 -2.759 1.00 0.00 C ATOM 1196 O SER A 81 -8.726 12.635 -3.725 1.00 0.00 O ATOM 1197 CB SER A 81 -6.579 12.771 -1.278 1.00 0.00 C ATOM 1198 OG SER A 81 -6.273 13.409 -0.045 1.00 0.00 O ATOM 0 H SER A 81 -8.271 10.866 -0.217 1.00 0.00 H new ATOM 0 HA SER A 81 -8.576 13.613 -1.392 1.00 0.00 H new ATOM 0 HB2 SER A 81 -6.109 11.788 -1.319 1.00 0.00 H new ATOM 0 HB3 SER A 81 -6.179 13.351 -2.110 1.00 0.00 H new ATOM 0 HG SER A 81 -5.301 13.496 0.046 1.00 0.00 H new ATOM 1204 N SER A 82 -8.309 10.658 -2.847 1.00 0.00 N ATOM 1205 CA SER A 82 -8.565 9.957 -4.155 1.00 0.00 C ATOM 1206 C SER A 82 -9.918 9.228 -4.169 1.00 0.00 C ATOM 1207 O SER A 82 -10.259 8.579 -5.137 1.00 0.00 O ATOM 1208 CB SER A 82 -7.452 8.936 -4.390 1.00 0.00 C ATOM 1209 OG SER A 82 -7.517 8.467 -5.730 1.00 0.00 O ATOM 0 H SER A 82 -8.054 10.045 -2.072 1.00 0.00 H new ATOM 0 HA SER A 82 -8.585 10.711 -4.942 1.00 0.00 H new ATOM 0 HB2 SER A 82 -6.480 9.391 -4.199 1.00 0.00 H new ATOM 0 HB3 SER A 82 -7.556 8.102 -3.696 1.00 0.00 H new ATOM 0 HG SER A 82 -8.444 8.237 -5.952 1.00 0.00 H new ATOM 1215 N LEU A 83 -10.690 9.309 -3.121 1.00 0.00 N ATOM 1216 CA LEU A 83 -12.006 8.593 -3.115 1.00 0.00 C ATOM 1217 C LEU A 83 -13.078 9.459 -3.788 1.00 0.00 C ATOM 1218 O LEU A 83 -14.257 9.182 -3.694 1.00 0.00 O ATOM 1219 CB LEU A 83 -12.429 8.289 -1.681 1.00 0.00 C ATOM 1220 CG LEU A 83 -11.561 7.163 -1.095 1.00 0.00 C ATOM 1221 CD1 LEU A 83 -11.823 5.829 -1.824 1.00 0.00 C ATOM 1222 CD2 LEU A 83 -10.073 7.530 -1.201 1.00 0.00 C ATOM 0 H LEU A 83 -10.473 9.834 -2.274 1.00 0.00 H new ATOM 0 HA LEU A 83 -11.898 7.659 -3.666 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -12.335 9.186 -1.069 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -13.479 7.997 -1.659 1.00 0.00 H new ATOM 0 HG LEU A 83 -11.828 7.042 -0.045 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -11.197 5.049 -1.391 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -12.872 5.555 -1.715 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -11.585 5.940 -2.882 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -9.469 6.725 -0.783 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -9.808 7.676 -2.248 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -9.885 8.450 -0.647 1.00 0.00 H new ATOM 1234 N HIS A 84 -12.683 10.508 -4.461 1.00 0.00 N ATOM 1235 CA HIS A 84 -13.689 11.388 -5.130 1.00 0.00 C ATOM 1236 C HIS A 84 -14.250 10.679 -6.365 1.00 0.00 C ATOM 1237 O HIS A 84 -15.414 10.804 -6.692 1.00 0.00 O ATOM 1238 CB HIS A 84 -13.022 12.696 -5.564 1.00 0.00 C ATOM 1239 CG HIS A 84 -12.172 13.221 -4.444 1.00 0.00 C ATOM 1240 ND1 HIS A 84 -12.209 12.673 -3.174 1.00 0.00 N ATOM 1241 CD2 HIS A 84 -11.251 14.237 -4.390 1.00 0.00 C ATOM 1242 CE1 HIS A 84 -11.332 13.352 -2.416 1.00 0.00 C ATOM 1243 NE2 HIS A 84 -10.721 14.318 -3.107 1.00 0.00 N ATOM 0 H HIS A 84 -11.711 10.794 -4.577 1.00 0.00 H new ATOM 0 HA HIS A 84 -14.497 11.603 -4.430 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -12.411 12.528 -6.451 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -13.780 13.431 -5.834 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -10.979 14.876 -5.217 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -11.144 13.142 -1.373 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -10.017 14.974 -2.767 1.00 0.00 H new ATOM 1251 N VAL A 85 -13.429 9.939 -7.054 1.00 0.00 N ATOM 1252 CA VAL A 85 -13.903 9.221 -8.272 1.00 0.00 C ATOM 1253 C VAL A 85 -14.738 8.007 -7.858 1.00 0.00 C ATOM 1254 O VAL A 85 -14.574 7.466 -6.783 1.00 0.00 O ATOM 1255 CB VAL A 85 -12.698 8.753 -9.089 1.00 0.00 C ATOM 1256 CG1 VAL A 85 -11.991 9.964 -9.701 1.00 0.00 C ATOM 1257 CG2 VAL A 85 -11.725 8.004 -8.174 1.00 0.00 C ATOM 0 H VAL A 85 -12.445 9.799 -6.826 1.00 0.00 H new ATOM 0 HA VAL A 85 -14.513 9.894 -8.874 1.00 0.00 H new ATOM 0 HB VAL A 85 -13.035 8.090 -9.886 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -11.133 9.628 -10.283 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -12.683 10.499 -10.351 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -11.653 10.628 -8.906 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -10.865 7.669 -8.754 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -11.389 8.669 -7.378 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -12.227 7.140 -7.738 1.00 0.00 H new ATOM 1267 N ARG A 86 -15.635 7.573 -8.705 1.00 0.00 N ATOM 1268 CA ARG A 86 -16.482 6.391 -8.364 1.00 0.00 C ATOM 1269 C ARG A 86 -15.791 5.122 -8.856 1.00 0.00 C ATOM 1270 O ARG A 86 -16.207 4.503 -9.816 1.00 0.00 O ATOM 1271 CB ARG A 86 -17.846 6.523 -9.043 1.00 0.00 C ATOM 1272 CG ARG A 86 -18.634 7.652 -8.379 1.00 0.00 C ATOM 1273 CD ARG A 86 -19.999 7.787 -9.056 1.00 0.00 C ATOM 1274 NE ARG A 86 -20.678 9.038 -8.578 1.00 0.00 N ATOM 1275 CZ ARG A 86 -20.916 9.249 -7.309 1.00 0.00 C ATOM 1276 NH1 ARG A 86 -20.739 8.299 -6.433 1.00 0.00 N ATOM 1277 NH2 ARG A 86 -21.385 10.403 -6.923 1.00 0.00 N ATOM 0 H ARG A 86 -15.818 7.987 -9.619 1.00 0.00 H new ATOM 0 HA ARG A 86 -16.621 6.341 -7.284 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -17.718 6.730 -10.105 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -18.396 5.585 -8.965 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -18.762 7.445 -7.317 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -18.083 8.589 -8.457 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -19.877 7.818 -10.139 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -20.616 6.917 -8.830 1.00 0.00 H new ATOM 0 HE ARG A 86 -20.961 9.741 -9.260 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -20.412 7.381 -6.735 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -20.927 8.474 -5.446 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -21.565 11.136 -7.609 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -21.572 10.573 -5.935 1.00 0.00 H new ATOM 1291 N ASP A 87 -14.732 4.733 -8.204 1.00 0.00 N ATOM 1292 CA ASP A 87 -14.000 3.507 -8.622 1.00 0.00 C ATOM 1293 C ASP A 87 -14.701 2.280 -8.042 1.00 0.00 C ATOM 1294 O ASP A 87 -15.564 2.389 -7.196 1.00 0.00 O ATOM 1295 CB ASP A 87 -12.567 3.572 -8.090 1.00 0.00 C ATOM 1296 CG ASP A 87 -11.791 4.654 -8.842 1.00 0.00 C ATOM 1297 OD1 ASP A 87 -12.116 4.898 -9.992 1.00 0.00 O ATOM 1298 OD2 ASP A 87 -10.884 5.220 -8.254 1.00 0.00 O ATOM 0 H ASP A 87 -14.340 5.215 -7.395 1.00 0.00 H new ATOM 0 HA ASP A 87 -13.985 3.439 -9.710 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -12.574 3.791 -7.022 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -12.078 2.606 -8.214 1.00 0.00 H new ATOM 1303 N THR A 88 -14.337 1.109 -8.487 1.00 0.00 N ATOM 1304 CA THR A 88 -14.981 -0.128 -7.956 1.00 0.00 C ATOM 1305 C THR A 88 -14.142 -0.666 -6.798 1.00 0.00 C ATOM 1306 O THR A 88 -12.936 -0.522 -6.779 1.00 0.00 O ATOM 1307 CB THR A 88 -15.048 -1.183 -9.063 1.00 0.00 C ATOM 1308 OG1 THR A 88 -15.544 -0.588 -10.253 1.00 0.00 O ATOM 1309 CG2 THR A 88 -15.980 -2.315 -8.631 1.00 0.00 C ATOM 0 H THR A 88 -13.621 0.954 -9.196 1.00 0.00 H new ATOM 0 HA THR A 88 -15.989 0.101 -7.610 1.00 0.00 H new ATOM 0 HB THR A 88 -14.051 -1.584 -9.246 1.00 0.00 H new ATOM 0 HG1 THR A 88 -15.586 -1.262 -10.963 1.00 0.00 H new ATOM 0 HG21 THR A 88 -16.029 -3.067 -9.419 1.00 0.00 H new ATOM 0 HG22 THR A 88 -15.599 -2.771 -7.717 1.00 0.00 H new ATOM 0 HG23 THR A 88 -16.978 -1.915 -8.449 1.00 0.00 H new ATOM 1317 N LYS A 89 -14.762 -1.286 -5.832 1.00 0.00 N ATOM 1318 CA LYS A 89 -13.980 -1.827 -4.685 1.00 0.00 C ATOM 1319 C LYS A 89 -13.407 -3.187 -5.076 1.00 0.00 C ATOM 1320 O LYS A 89 -14.004 -3.927 -5.833 1.00 0.00 O ATOM 1321 CB LYS A 89 -14.887 -2.004 -3.467 1.00 0.00 C ATOM 1322 CG LYS A 89 -15.482 -0.661 -3.044 1.00 0.00 C ATOM 1323 CD LYS A 89 -16.380 -0.883 -1.826 1.00 0.00 C ATOM 1324 CE LYS A 89 -16.991 0.444 -1.379 1.00 0.00 C ATOM 1325 NZ LYS A 89 -18.121 0.174 -0.446 1.00 0.00 N ATOM 0 H LYS A 89 -15.769 -1.441 -5.787 1.00 0.00 H new ATOM 0 HA LYS A 89 -13.178 -1.132 -4.437 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -15.688 -2.706 -3.701 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -14.318 -2.433 -2.642 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -14.687 0.045 -2.804 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -16.056 -0.228 -3.863 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -17.170 -1.593 -2.071 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -15.801 -1.319 -1.012 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -16.237 1.058 -0.887 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -17.344 1.005 -2.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -18.540 1.075 -0.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -18.843 -0.396 -0.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -17.770 -0.345 0.384 1.00 0.00 H new ATOM 1339 N ILE A 90 -12.245 -3.514 -4.571 1.00 0.00 N ATOM 1340 CA ILE A 90 -11.601 -4.822 -4.909 1.00 0.00 C ATOM 1341 C ILE A 90 -11.116 -5.503 -3.628 1.00 0.00 C ATOM 1342 O ILE A 90 -10.965 -4.878 -2.597 1.00 0.00 O ATOM 1343 CB ILE A 90 -10.412 -4.569 -5.838 1.00 0.00 C ATOM 1344 CG1 ILE A 90 -9.467 -3.550 -5.192 1.00 0.00 C ATOM 1345 CG2 ILE A 90 -10.915 -4.023 -7.176 1.00 0.00 C ATOM 1346 CD1 ILE A 90 -8.228 -3.370 -6.069 1.00 0.00 C ATOM 0 H ILE A 90 -11.709 -2.926 -3.933 1.00 0.00 H new ATOM 0 HA ILE A 90 -12.324 -5.469 -5.406 1.00 0.00 H new ATOM 0 HB ILE A 90 -9.878 -5.504 -6.006 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -9.977 -2.595 -5.066 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -9.175 -3.889 -4.198 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -10.067 -3.843 -7.837 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -11.586 -4.748 -7.636 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -11.450 -3.088 -7.009 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -7.558 -2.645 -5.607 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -7.713 -4.325 -6.172 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -8.528 -3.011 -7.054 1.00 0.00 H new ATOM 1358 N GLU A 91 -10.868 -6.782 -3.691 1.00 0.00 N ATOM 1359 CA GLU A 91 -10.387 -7.513 -2.485 1.00 0.00 C ATOM 1360 C GLU A 91 -8.989 -7.020 -2.107 1.00 0.00 C ATOM 1361 O GLU A 91 -8.193 -6.672 -2.956 1.00 0.00 O ATOM 1362 CB GLU A 91 -10.336 -9.011 -2.792 1.00 0.00 C ATOM 1363 CG GLU A 91 -11.761 -9.563 -2.870 1.00 0.00 C ATOM 1364 CD GLU A 91 -11.721 -11.024 -3.319 1.00 0.00 C ATOM 1365 OE1 GLU A 91 -11.619 -11.255 -4.513 1.00 0.00 O ATOM 1366 OE2 GLU A 91 -11.795 -11.889 -2.462 1.00 0.00 O ATOM 0 H GLU A 91 -10.978 -7.354 -4.528 1.00 0.00 H new ATOM 0 HA GLU A 91 -11.068 -7.332 -1.653 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -9.816 -9.183 -3.734 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -9.774 -9.533 -2.018 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -12.246 -9.484 -1.897 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -12.353 -8.973 -3.570 1.00 0.00 H new ATOM 1373 N VAL A 92 -8.684 -6.987 -0.838 1.00 0.00 N ATOM 1374 CA VAL A 92 -7.336 -6.517 -0.410 1.00 0.00 C ATOM 1375 C VAL A 92 -6.257 -7.382 -1.072 1.00 0.00 C ATOM 1376 O VAL A 92 -5.230 -6.890 -1.495 1.00 0.00 O ATOM 1377 CB VAL A 92 -7.219 -6.620 1.117 1.00 0.00 C ATOM 1378 CG1 VAL A 92 -5.763 -6.385 1.549 1.00 0.00 C ATOM 1379 CG2 VAL A 92 -8.117 -5.560 1.768 1.00 0.00 C ATOM 0 H VAL A 92 -9.309 -7.265 -0.081 1.00 0.00 H new ATOM 0 HA VAL A 92 -7.199 -5.479 -0.713 1.00 0.00 H new ATOM 0 HB VAL A 92 -7.531 -7.615 1.433 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -5.689 -6.460 2.634 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -5.121 -7.136 1.089 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -5.445 -5.392 1.231 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -8.036 -5.631 2.853 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -7.802 -4.568 1.445 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -9.152 -5.727 1.470 1.00 0.00 H new ATOM 1389 N ALA A 93 -6.479 -8.665 -1.163 1.00 0.00 N ATOM 1390 CA ALA A 93 -5.460 -9.551 -1.794 1.00 0.00 C ATOM 1391 C ALA A 93 -5.085 -8.999 -3.171 1.00 0.00 C ATOM 1392 O ALA A 93 -3.932 -9.006 -3.561 1.00 0.00 O ATOM 1393 CB ALA A 93 -6.036 -10.960 -1.947 1.00 0.00 C ATOM 0 H ALA A 93 -7.319 -9.137 -0.829 1.00 0.00 H new ATOM 0 HA ALA A 93 -4.571 -9.588 -1.165 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -5.292 -11.609 -2.408 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -6.302 -11.353 -0.966 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -6.925 -10.923 -2.576 1.00 0.00 H new ATOM 1399 N GLN A 94 -6.046 -8.515 -3.909 1.00 0.00 N ATOM 1400 CA GLN A 94 -5.739 -7.959 -5.257 1.00 0.00 C ATOM 1401 C GLN A 94 -5.080 -6.591 -5.090 1.00 0.00 C ATOM 1402 O GLN A 94 -4.211 -6.209 -5.847 1.00 0.00 O ATOM 1403 CB GLN A 94 -7.035 -7.805 -6.056 1.00 0.00 C ATOM 1404 CG GLN A 94 -7.576 -9.186 -6.426 1.00 0.00 C ATOM 1405 CD GLN A 94 -8.871 -9.032 -7.224 1.00 0.00 C ATOM 1406 OE1 GLN A 94 -9.436 -7.859 -7.308 1.00 0.00 O flip ATOM 1407 NE2 GLN A 94 -9.374 -9.989 -7.779 1.00 0.00 N flip ATOM 0 H GLN A 94 -7.029 -8.480 -3.638 1.00 0.00 H new ATOM 0 HA GLN A 94 -5.067 -8.633 -5.789 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -7.774 -7.259 -5.469 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -6.851 -7.222 -6.958 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -6.838 -9.732 -7.013 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -7.760 -9.769 -5.524 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -8.933 -10.906 -7.714 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -10.237 -9.875 -8.310 1.00 0.00 H new ATOM 1416 N PHE A 95 -5.491 -5.853 -4.098 1.00 0.00 N ATOM 1417 CA PHE A 95 -4.897 -4.510 -3.867 1.00 0.00 C ATOM 1418 C PHE A 95 -3.394 -4.640 -3.618 1.00 0.00 C ATOM 1419 O PHE A 95 -2.594 -3.946 -4.212 1.00 0.00 O ATOM 1420 CB PHE A 95 -5.549 -3.881 -2.639 1.00 0.00 C ATOM 1421 CG PHE A 95 -4.945 -2.523 -2.390 1.00 0.00 C ATOM 1422 CD1 PHE A 95 -3.773 -2.412 -1.632 1.00 0.00 C ATOM 1423 CD2 PHE A 95 -5.548 -1.377 -2.919 1.00 0.00 C ATOM 1424 CE1 PHE A 95 -3.205 -1.155 -1.402 1.00 0.00 C ATOM 1425 CE2 PHE A 95 -4.980 -0.119 -2.689 1.00 0.00 C ATOM 1426 CZ PHE A 95 -3.809 -0.009 -1.930 1.00 0.00 C ATOM 0 H PHE A 95 -6.217 -6.125 -3.435 1.00 0.00 H new ATOM 0 HA PHE A 95 -5.066 -3.887 -4.745 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -6.624 -3.790 -2.791 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -5.403 -4.521 -1.769 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -3.308 -3.297 -1.225 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -6.451 -1.463 -3.505 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -2.301 -1.069 -0.817 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -5.445 0.766 -3.097 1.00 0.00 H new ATOM 0 HZ PHE A 95 -3.371 0.962 -1.752 1.00 0.00 H new ATOM 1436 N VAL A 96 -3.005 -5.514 -2.731 1.00 0.00 N ATOM 1437 CA VAL A 96 -1.555 -5.674 -2.433 1.00 0.00 C ATOM 1438 C VAL A 96 -0.813 -6.139 -3.685 1.00 0.00 C ATOM 1439 O VAL A 96 0.224 -5.610 -4.034 1.00 0.00 O ATOM 1440 CB VAL A 96 -1.368 -6.717 -1.331 1.00 0.00 C ATOM 1441 CG1 VAL A 96 0.120 -6.847 -1.003 1.00 0.00 C ATOM 1442 CG2 VAL A 96 -2.134 -6.286 -0.080 1.00 0.00 C ATOM 0 H VAL A 96 -3.628 -6.123 -2.201 1.00 0.00 H new ATOM 0 HA VAL A 96 -1.155 -4.714 -2.107 1.00 0.00 H new ATOM 0 HB VAL A 96 -1.751 -7.679 -1.672 1.00 0.00 H new ATOM 0 HG11 VAL A 96 0.256 -7.590 -0.217 1.00 0.00 H new ATOM 0 HG12 VAL A 96 0.663 -7.159 -1.895 1.00 0.00 H new ATOM 0 HG13 VAL A 96 0.503 -5.885 -0.662 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -1.999 -7.031 0.704 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -1.756 -5.324 0.265 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -3.194 -6.195 -0.316 1.00 0.00 H new ATOM 1452 N LYS A 97 -1.322 -7.134 -4.358 1.00 0.00 N ATOM 1453 CA LYS A 97 -0.622 -7.633 -5.573 1.00 0.00 C ATOM 1454 C LYS A 97 -0.511 -6.512 -6.614 1.00 0.00 C ATOM 1455 O LYS A 97 0.536 -6.296 -7.187 1.00 0.00 O ATOM 1456 CB LYS A 97 -1.391 -8.823 -6.156 1.00 0.00 C ATOM 1457 CG LYS A 97 -1.246 -10.021 -5.212 1.00 0.00 C ATOM 1458 CD LYS A 97 -2.006 -11.227 -5.772 1.00 0.00 C ATOM 1459 CE LYS A 97 -1.849 -12.413 -4.816 1.00 0.00 C ATOM 1460 NZ LYS A 97 -2.841 -13.470 -5.162 1.00 0.00 N ATOM 0 H LYS A 97 -2.187 -7.620 -4.121 1.00 0.00 H new ATOM 0 HA LYS A 97 0.383 -7.956 -5.302 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -2.443 -8.567 -6.280 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -1.005 -9.073 -7.144 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -0.192 -10.271 -5.088 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -1.631 -9.765 -4.225 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -3.061 -10.981 -5.895 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -1.622 -11.487 -6.758 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -0.838 -12.814 -4.881 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -1.996 -12.085 -3.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -2.732 -14.274 -4.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -3.803 -13.084 -5.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -2.681 -13.790 -6.138 1.00 0.00 H new ATOM 1474 N ASP A 98 -1.565 -5.784 -6.860 1.00 0.00 N ATOM 1475 CA ASP A 98 -1.472 -4.686 -7.865 1.00 0.00 C ATOM 1476 C ASP A 98 -0.409 -3.683 -7.420 1.00 0.00 C ATOM 1477 O ASP A 98 0.377 -3.200 -8.210 1.00 0.00 O ATOM 1478 CB ASP A 98 -2.822 -3.973 -7.978 1.00 0.00 C ATOM 1479 CG ASP A 98 -3.833 -4.895 -8.661 1.00 0.00 C ATOM 1480 OD1 ASP A 98 -3.404 -5.820 -9.330 1.00 0.00 O ATOM 1481 OD2 ASP A 98 -5.020 -4.657 -8.506 1.00 0.00 O ATOM 0 H ASP A 98 -2.476 -5.899 -6.416 1.00 0.00 H new ATOM 0 HA ASP A 98 -1.202 -5.106 -8.834 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -3.181 -3.693 -6.988 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -2.711 -3.051 -8.549 1.00 0.00 H new ATOM 1486 N LEU A 99 -0.380 -3.371 -6.158 1.00 0.00 N ATOM 1487 CA LEU A 99 0.627 -2.404 -5.647 1.00 0.00 C ATOM 1488 C LEU A 99 2.036 -2.993 -5.826 1.00 0.00 C ATOM 1489 O LEU A 99 2.978 -2.294 -6.138 1.00 0.00 O ATOM 1490 CB LEU A 99 0.341 -2.119 -4.165 1.00 0.00 C ATOM 1491 CG LEU A 99 1.360 -1.115 -3.608 1.00 0.00 C ATOM 1492 CD1 LEU A 99 1.283 0.210 -4.392 1.00 0.00 C ATOM 1493 CD2 LEU A 99 1.045 -0.853 -2.129 1.00 0.00 C ATOM 0 H LEU A 99 -1.015 -3.746 -5.453 1.00 0.00 H new ATOM 0 HA LEU A 99 0.569 -1.469 -6.204 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -0.668 -1.723 -4.052 1.00 0.00 H new ATOM 0 HB3 LEU A 99 0.385 -3.047 -3.594 1.00 0.00 H new ATOM 0 HG LEU A 99 2.364 -1.526 -3.709 1.00 0.00 H new ATOM 0 HD11 LEU A 99 2.010 0.914 -3.988 1.00 0.00 H new ATOM 0 HD12 LEU A 99 1.503 0.024 -5.443 1.00 0.00 H new ATOM 0 HD13 LEU A 99 0.281 0.630 -4.300 1.00 0.00 H new ATOM 0 HD21 LEU A 99 1.764 -0.141 -1.725 1.00 0.00 H new ATOM 0 HD22 LEU A 99 0.039 -0.444 -2.038 1.00 0.00 H new ATOM 0 HD23 LEU A 99 1.108 -1.788 -1.572 1.00 0.00 H new ATOM 1505 N LEU A 100 2.183 -4.277 -5.618 1.00 0.00 N ATOM 1506 CA LEU A 100 3.526 -4.926 -5.756 1.00 0.00 C ATOM 1507 C LEU A 100 4.127 -4.651 -7.141 1.00 0.00 C ATOM 1508 O LEU A 100 5.300 -4.344 -7.262 1.00 0.00 O ATOM 1509 CB LEU A 100 3.369 -6.442 -5.552 1.00 0.00 C ATOM 1510 CG LEU A 100 4.672 -7.181 -5.896 1.00 0.00 C ATOM 1511 CD1 LEU A 100 5.838 -6.596 -5.095 1.00 0.00 C ATOM 1512 CD2 LEU A 100 4.511 -8.663 -5.542 1.00 0.00 C ATOM 0 H LEU A 100 1.426 -4.909 -5.357 1.00 0.00 H new ATOM 0 HA LEU A 100 4.199 -4.512 -5.005 1.00 0.00 H new ATOM 0 HB2 LEU A 100 3.093 -6.647 -4.518 1.00 0.00 H new ATOM 0 HB3 LEU A 100 2.559 -6.815 -6.178 1.00 0.00 H new ATOM 0 HG LEU A 100 4.880 -7.068 -6.960 1.00 0.00 H new ATOM 0 HD11 LEU A 100 6.756 -7.128 -5.347 1.00 0.00 H new ATOM 0 HD12 LEU A 100 5.952 -5.540 -5.338 1.00 0.00 H new ATOM 0 HD13 LEU A 100 5.637 -6.704 -4.029 1.00 0.00 H new ATOM 0 HD21 LEU A 100 5.431 -9.196 -5.782 1.00 0.00 H new ATOM 0 HD22 LEU A 100 4.302 -8.762 -4.477 1.00 0.00 H new ATOM 0 HD23 LEU A 100 3.686 -9.086 -6.115 1.00 0.00 H new ATOM 1524 N LEU A 101 3.361 -4.768 -8.189 1.00 0.00 N ATOM 1525 CA LEU A 101 3.953 -4.525 -9.539 1.00 0.00 C ATOM 1526 C LEU A 101 4.499 -3.093 -9.624 1.00 0.00 C ATOM 1527 O LEU A 101 5.579 -2.865 -10.133 1.00 0.00 O ATOM 1528 CB LEU A 101 2.888 -4.738 -10.631 1.00 0.00 C ATOM 1529 CG LEU A 101 2.723 -6.240 -10.945 1.00 0.00 C ATOM 1530 CD1 LEU A 101 3.951 -6.779 -11.709 1.00 0.00 C ATOM 1531 CD2 LEU A 101 2.547 -7.022 -9.641 1.00 0.00 C ATOM 0 H LEU A 101 2.372 -5.016 -8.175 1.00 0.00 H new ATOM 0 HA LEU A 101 4.770 -5.230 -9.694 1.00 0.00 H new ATOM 0 HB2 LEU A 101 1.935 -4.323 -10.303 1.00 0.00 H new ATOM 0 HB3 LEU A 101 3.175 -4.201 -11.535 1.00 0.00 H new ATOM 0 HG LEU A 101 1.841 -6.367 -11.573 1.00 0.00 H new ATOM 0 HD11 LEU A 101 3.812 -7.839 -11.919 1.00 0.00 H new ATOM 0 HD12 LEU A 101 4.064 -6.235 -12.647 1.00 0.00 H new ATOM 0 HD13 LEU A 101 4.846 -6.644 -11.101 1.00 0.00 H new ATOM 0 HD21 LEU A 101 2.431 -8.082 -9.865 1.00 0.00 H new ATOM 0 HD22 LEU A 101 3.424 -6.879 -9.010 1.00 0.00 H new ATOM 0 HD23 LEU A 101 1.661 -6.663 -9.118 1.00 0.00 H new ATOM 1543 N HIS A 102 3.769 -2.130 -9.141 1.00 0.00 N ATOM 1544 CA HIS A 102 4.254 -0.719 -9.209 1.00 0.00 C ATOM 1545 C HIS A 102 5.440 -0.484 -8.263 1.00 0.00 C ATOM 1546 O HIS A 102 6.334 0.275 -8.570 1.00 0.00 O ATOM 1547 CB HIS A 102 3.109 0.235 -8.841 1.00 0.00 C ATOM 1548 CG HIS A 102 2.197 0.405 -10.023 1.00 0.00 C ATOM 1549 ND1 HIS A 102 2.393 1.402 -10.965 1.00 0.00 N ATOM 1550 CD2 HIS A 102 1.095 -0.294 -10.437 1.00 0.00 C ATOM 1551 CE1 HIS A 102 1.430 1.275 -11.894 1.00 0.00 C ATOM 1552 NE2 HIS A 102 0.610 0.256 -11.621 1.00 0.00 N ATOM 0 H HIS A 102 2.857 -2.255 -8.701 1.00 0.00 H new ATOM 0 HA HIS A 102 4.591 -0.527 -10.228 1.00 0.00 H new ATOM 0 HB2 HIS A 102 2.551 -0.160 -7.992 1.00 0.00 H new ATOM 0 HB3 HIS A 102 3.511 1.201 -8.536 1.00 0.00 H new ATOM 0 HD2 HIS A 102 0.667 -1.142 -9.924 1.00 0.00 H new ATOM 0 HE1 HIS A 102 1.331 1.918 -12.756 1.00 0.00 H new ATOM 0 HE2 HIS A 102 -0.197 -0.053 -12.163 1.00 0.00 H new ATOM 1560 N LEU A 103 5.448 -1.083 -7.106 1.00 0.00 N ATOM 1561 CA LEU A 103 6.576 -0.817 -6.159 1.00 0.00 C ATOM 1562 C LEU A 103 7.916 -1.215 -6.787 1.00 0.00 C ATOM 1563 O LEU A 103 8.850 -0.438 -6.798 1.00 0.00 O ATOM 1564 CB LEU A 103 6.367 -1.626 -4.876 1.00 0.00 C ATOM 1565 CG LEU A 103 5.173 -1.068 -4.087 1.00 0.00 C ATOM 1566 CD1 LEU A 103 4.827 -2.035 -2.947 1.00 0.00 C ATOM 1567 CD2 LEU A 103 5.507 0.321 -3.501 1.00 0.00 C ATOM 0 H LEU A 103 4.737 -1.735 -6.775 1.00 0.00 H new ATOM 0 HA LEU A 103 6.593 0.249 -5.933 1.00 0.00 H new ATOM 0 HB2 LEU A 103 6.192 -2.673 -5.122 1.00 0.00 H new ATOM 0 HB3 LEU A 103 7.267 -1.588 -4.263 1.00 0.00 H new ATOM 0 HG LEU A 103 4.323 -0.964 -4.761 1.00 0.00 H new ATOM 0 HD11 LEU A 103 3.980 -1.644 -2.383 1.00 0.00 H new ATOM 0 HD12 LEU A 103 4.568 -3.009 -3.362 1.00 0.00 H new ATOM 0 HD13 LEU A 103 5.687 -2.139 -2.285 1.00 0.00 H new ATOM 0 HD21 LEU A 103 4.648 0.698 -2.946 1.00 0.00 H new ATOM 0 HD22 LEU A 103 6.363 0.237 -2.831 1.00 0.00 H new ATOM 0 HD23 LEU A 103 5.746 1.010 -4.311 1.00 0.00 H new ATOM 1579 N LYS A 104 8.033 -2.402 -7.311 1.00 0.00 N ATOM 1580 CA LYS A 104 9.333 -2.799 -7.929 1.00 0.00 C ATOM 1581 C LYS A 104 9.568 -2.015 -9.227 1.00 0.00 C ATOM 1582 O LYS A 104 10.686 -1.879 -9.683 1.00 0.00 O ATOM 1583 CB LYS A 104 9.353 -4.305 -8.200 1.00 0.00 C ATOM 1584 CG LYS A 104 8.391 -4.652 -9.332 1.00 0.00 C ATOM 1585 CD LYS A 104 8.251 -6.173 -9.413 1.00 0.00 C ATOM 1586 CE LYS A 104 7.497 -6.554 -10.684 1.00 0.00 C ATOM 1587 NZ LYS A 104 8.404 -6.440 -11.859 1.00 0.00 N ATOM 0 H LYS A 104 7.297 -3.108 -7.340 1.00 0.00 H new ATOM 0 HA LYS A 104 10.138 -2.562 -7.233 1.00 0.00 H new ATOM 0 HB2 LYS A 104 10.363 -4.621 -8.462 1.00 0.00 H new ATOM 0 HB3 LYS A 104 9.074 -4.848 -7.297 1.00 0.00 H new ATOM 0 HG2 LYS A 104 7.419 -4.193 -9.155 1.00 0.00 H new ATOM 0 HG3 LYS A 104 8.763 -4.257 -10.277 1.00 0.00 H new ATOM 0 HD2 LYS A 104 9.236 -6.639 -9.410 1.00 0.00 H new ATOM 0 HD3 LYS A 104 7.719 -6.546 -8.538 1.00 0.00 H new ATOM 0 HE2 LYS A 104 7.119 -7.573 -10.602 1.00 0.00 H new ATOM 0 HE3 LYS A 104 6.633 -5.903 -10.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 7.967 -6.903 -12.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 8.569 -5.436 -12.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 9.311 -6.901 -11.644 1.00 0.00 H new ATOM 1601 N LYS A 105 8.527 -1.512 -9.833 1.00 0.00 N ATOM 1602 CA LYS A 105 8.698 -0.755 -11.110 1.00 0.00 C ATOM 1603 C LYS A 105 9.530 0.517 -10.878 1.00 0.00 C ATOM 1604 O LYS A 105 10.481 0.779 -11.589 1.00 0.00 O ATOM 1605 CB LYS A 105 7.317 -0.377 -11.654 1.00 0.00 C ATOM 1606 CG LYS A 105 7.469 0.400 -12.963 1.00 0.00 C ATOM 1607 CD LYS A 105 6.087 0.625 -13.581 1.00 0.00 C ATOM 1608 CE LYS A 105 6.224 1.478 -14.843 1.00 0.00 C ATOM 1609 NZ LYS A 105 7.017 0.734 -15.862 1.00 0.00 N ATOM 0 H LYS A 105 7.566 -1.591 -9.501 1.00 0.00 H new ATOM 0 HA LYS A 105 9.223 -1.383 -11.830 1.00 0.00 H new ATOM 0 HB2 LYS A 105 6.724 -1.276 -11.821 1.00 0.00 H new ATOM 0 HB3 LYS A 105 6.781 0.227 -10.922 1.00 0.00 H new ATOM 0 HG2 LYS A 105 7.957 1.357 -12.777 1.00 0.00 H new ATOM 0 HG3 LYS A 105 8.104 -0.152 -13.656 1.00 0.00 H new ATOM 0 HD2 LYS A 105 5.626 -0.332 -13.825 1.00 0.00 H new ATOM 0 HD3 LYS A 105 5.433 1.121 -12.864 1.00 0.00 H new ATOM 0 HE2 LYS A 105 5.238 1.720 -15.240 1.00 0.00 H new ATOM 0 HE3 LYS A 105 6.713 2.423 -14.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 6.873 1.166 -16.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 8.026 0.774 -15.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 6.706 -0.258 -15.887 1.00 0.00 H new ATOM 1623 N LEU A 106 9.186 1.310 -9.897 1.00 0.00 N ATOM 1624 CA LEU A 106 9.968 2.559 -9.637 1.00 0.00 C ATOM 1625 C LEU A 106 11.412 2.202 -9.269 1.00 0.00 C ATOM 1626 O LEU A 106 12.327 2.963 -9.511 1.00 0.00 O ATOM 1627 CB LEU A 106 9.322 3.355 -8.490 1.00 0.00 C ATOM 1628 CG LEU A 106 8.114 4.169 -9.000 1.00 0.00 C ATOM 1629 CD1 LEU A 106 8.579 5.381 -9.829 1.00 0.00 C ATOM 1630 CD2 LEU A 106 7.207 3.279 -9.857 1.00 0.00 C ATOM 0 H LEU A 106 8.401 1.149 -9.266 1.00 0.00 H new ATOM 0 HA LEU A 106 9.968 3.170 -10.539 1.00 0.00 H new ATOM 0 HB2 LEU A 106 9.000 2.672 -7.704 1.00 0.00 H new ATOM 0 HB3 LEU A 106 10.058 4.026 -8.048 1.00 0.00 H new ATOM 0 HG LEU A 106 7.558 4.531 -8.135 1.00 0.00 H new ATOM 0 HD11 LEU A 106 7.710 5.939 -10.177 1.00 0.00 H new ATOM 0 HD12 LEU A 106 9.201 6.028 -9.210 1.00 0.00 H new ATOM 0 HD13 LEU A 106 9.156 5.035 -10.687 1.00 0.00 H new ATOM 0 HD21 LEU A 106 6.357 3.861 -10.213 1.00 0.00 H new ATOM 0 HD22 LEU A 106 7.770 2.900 -10.710 1.00 0.00 H new ATOM 0 HD23 LEU A 106 6.848 2.442 -9.258 1.00 0.00 H new ATOM 1642 N PHE A 107 11.625 1.057 -8.683 1.00 0.00 N ATOM 1643 CA PHE A 107 13.011 0.669 -8.300 1.00 0.00 C ATOM 1644 C PHE A 107 13.895 0.637 -9.547 1.00 0.00 C ATOM 1645 O PHE A 107 15.040 1.044 -9.520 1.00 0.00 O ATOM 1646 CB PHE A 107 13.006 -0.714 -7.648 1.00 0.00 C ATOM 1647 CG PHE A 107 14.425 -1.092 -7.291 1.00 0.00 C ATOM 1648 CD1 PHE A 107 15.035 -0.532 -6.164 1.00 0.00 C ATOM 1649 CD2 PHE A 107 15.134 -1.993 -8.095 1.00 0.00 C ATOM 1650 CE1 PHE A 107 16.352 -0.871 -5.839 1.00 0.00 C ATOM 1651 CE2 PHE A 107 16.452 -2.335 -7.769 1.00 0.00 C ATOM 1652 CZ PHE A 107 17.061 -1.774 -6.641 1.00 0.00 C ATOM 0 H PHE A 107 10.902 0.375 -8.453 1.00 0.00 H new ATOM 0 HA PHE A 107 13.401 1.399 -7.591 1.00 0.00 H new ATOM 0 HB2 PHE A 107 12.382 -0.707 -6.755 1.00 0.00 H new ATOM 0 HB3 PHE A 107 12.580 -1.450 -8.329 1.00 0.00 H new ATOM 0 HD1 PHE A 107 14.488 0.163 -5.544 1.00 0.00 H new ATOM 0 HD2 PHE A 107 14.664 -2.424 -8.967 1.00 0.00 H new ATOM 0 HE1 PHE A 107 16.823 -0.436 -4.969 1.00 0.00 H new ATOM 0 HE2 PHE A 107 16.998 -3.031 -8.388 1.00 0.00 H new ATOM 0 HZ PHE A 107 18.078 -2.037 -6.389 1.00 0.00 H new ATOM 1662 N ARG A 108 13.376 0.153 -10.637 1.00 0.00 N ATOM 1663 CA ARG A 108 14.184 0.090 -11.886 1.00 0.00 C ATOM 1664 C ARG A 108 14.621 1.501 -12.282 1.00 0.00 C ATOM 1665 O ARG A 108 15.711 1.706 -12.779 1.00 0.00 O ATOM 1666 CB ARG A 108 13.329 -0.502 -13.008 1.00 0.00 C ATOM 1667 CG ARG A 108 13.085 -1.986 -12.736 1.00 0.00 C ATOM 1668 CD ARG A 108 12.229 -2.573 -13.861 1.00 0.00 C ATOM 1669 NE ARG A 108 11.668 -3.897 -13.430 1.00 0.00 N ATOM 1670 CZ ARG A 108 12.440 -4.870 -13.027 1.00 0.00 C ATOM 1671 NH1 ARG A 108 13.735 -4.793 -13.169 1.00 0.00 N ATOM 1672 NH2 ARG A 108 11.908 -5.952 -12.527 1.00 0.00 N ATOM 0 H ARG A 108 12.424 -0.203 -10.719 1.00 0.00 H new ATOM 0 HA ARG A 108 15.063 -0.533 -11.721 1.00 0.00 H new ATOM 0 HB2 ARG A 108 12.378 0.028 -13.073 1.00 0.00 H new ATOM 0 HB3 ARG A 108 13.831 -0.375 -13.967 1.00 0.00 H new ATOM 0 HG2 ARG A 108 14.035 -2.517 -12.672 1.00 0.00 H new ATOM 0 HG3 ARG A 108 12.583 -2.114 -11.777 1.00 0.00 H new ATOM 0 HD2 ARG A 108 11.419 -1.888 -14.111 1.00 0.00 H new ATOM 0 HD3 ARG A 108 12.830 -2.697 -14.762 1.00 0.00 H new ATOM 0 HE ARG A 108 10.658 -4.040 -13.453 1.00 0.00 H new ATOM 0 HH11 ARG A 108 14.153 -3.967 -13.598 1.00 0.00 H new ATOM 0 HH12 ARG A 108 14.329 -5.558 -12.851 1.00 0.00 H new ATOM 0 HH21 ARG A 108 10.894 -6.034 -12.453 1.00 0.00 H new ATOM 0 HH22 ARG A 108 12.506 -6.715 -12.211 1.00 0.00 H new ATOM 1686 N GLU A 109 13.777 2.478 -12.078 1.00 0.00 N ATOM 1687 CA GLU A 109 14.145 3.872 -12.460 1.00 0.00 C ATOM 1688 C GLU A 109 14.957 4.530 -11.338 1.00 0.00 C ATOM 1689 O GLU A 109 15.564 5.564 -11.528 1.00 0.00 O ATOM 1690 CB GLU A 109 12.868 4.677 -12.704 1.00 0.00 C ATOM 1691 CG GLU A 109 12.195 4.180 -13.986 1.00 0.00 C ATOM 1692 CD GLU A 109 10.834 4.859 -14.147 1.00 0.00 C ATOM 1693 OE1 GLU A 109 10.470 5.630 -13.274 1.00 0.00 O ATOM 1694 OE2 GLU A 109 10.179 4.598 -15.142 1.00 0.00 O ATOM 0 H GLU A 109 12.851 2.371 -11.664 1.00 0.00 H new ATOM 0 HA GLU A 109 14.750 3.849 -13.367 1.00 0.00 H new ATOM 0 HB2 GLU A 109 12.189 4.570 -11.858 1.00 0.00 H new ATOM 0 HB3 GLU A 109 13.104 5.738 -12.791 1.00 0.00 H new ATOM 0 HG2 GLU A 109 12.826 4.398 -14.848 1.00 0.00 H new ATOM 0 HG3 GLU A 109 12.071 3.098 -13.948 1.00 0.00 H new ATOM 1701 N GLY A 110 14.988 3.937 -10.175 1.00 0.00 N ATOM 1702 CA GLY A 110 15.779 4.531 -9.059 1.00 0.00 C ATOM 1703 C GLY A 110 15.131 5.838 -8.587 1.00 0.00 C ATOM 1704 O GLY A 110 15.652 6.517 -7.724 1.00 0.00 O ATOM 0 H GLY A 110 14.501 3.069 -9.950 1.00 0.00 H new ATOM 0 HA2 GLY A 110 15.838 3.826 -8.230 1.00 0.00 H new ATOM 0 HA3 GLY A 110 16.800 4.721 -9.389 1.00 0.00 H new ATOM 1708 N ARG A 111 13.995 6.197 -9.133 1.00 0.00 N ATOM 1709 CA ARG A 111 13.320 7.461 -8.698 1.00 0.00 C ATOM 1710 C ARG A 111 12.299 7.129 -7.612 1.00 0.00 C ATOM 1711 O ARG A 111 11.207 6.673 -7.885 1.00 0.00 O ATOM 1712 CB ARG A 111 12.606 8.107 -9.889 1.00 0.00 C ATOM 1713 CG ARG A 111 13.642 8.657 -10.872 1.00 0.00 C ATOM 1714 CD ARG A 111 12.925 9.301 -12.060 1.00 0.00 C ATOM 1715 NE ARG A 111 13.930 9.836 -13.020 1.00 0.00 N ATOM 1716 CZ ARG A 111 13.570 10.139 -14.237 1.00 0.00 C ATOM 1717 NH1 ARG A 111 12.332 9.967 -14.613 1.00 0.00 N ATOM 1718 NH2 ARG A 111 14.449 10.610 -15.079 1.00 0.00 N ATOM 0 H ARG A 111 13.507 5.672 -9.859 1.00 0.00 H new ATOM 0 HA ARG A 111 14.064 8.157 -8.310 1.00 0.00 H new ATOM 0 HB2 ARG A 111 11.971 7.374 -10.387 1.00 0.00 H new ATOM 0 HB3 ARG A 111 11.955 8.910 -9.544 1.00 0.00 H new ATOM 0 HG2 ARG A 111 14.277 9.391 -10.375 1.00 0.00 H new ATOM 0 HG3 ARG A 111 14.293 7.854 -11.218 1.00 0.00 H new ATOM 0 HD2 ARG A 111 12.289 8.567 -12.555 1.00 0.00 H new ATOM 0 HD3 ARG A 111 12.275 10.104 -11.713 1.00 0.00 H new ATOM 0 HE ARG A 111 14.898 9.965 -12.727 1.00 0.00 H new ATOM 0 HH11 ARG A 111 11.646 9.596 -13.956 1.00 0.00 H new ATOM 0 HH12 ARG A 111 12.050 10.204 -15.564 1.00 0.00 H new ATOM 0 HH21 ARG A 111 15.417 10.741 -14.786 1.00 0.00 H new ATOM 0 HH22 ARG A 111 14.168 10.847 -16.030 1.00 0.00 H new ATOM 1732 N PHE A 112 12.659 7.347 -6.376 1.00 0.00 N ATOM 1733 CA PHE A 112 11.731 7.040 -5.248 1.00 0.00 C ATOM 1734 C PHE A 112 10.981 8.307 -4.839 1.00 0.00 C ATOM 1735 O PHE A 112 11.567 9.355 -4.656 1.00 0.00 O ATOM 1736 CB PHE A 112 12.556 6.523 -4.073 1.00 0.00 C ATOM 1737 CG PHE A 112 13.395 5.370 -4.556 1.00 0.00 C ATOM 1738 CD1 PHE A 112 12.840 4.091 -4.646 1.00 0.00 C ATOM 1739 CD2 PHE A 112 14.727 5.584 -4.929 1.00 0.00 C ATOM 1740 CE1 PHE A 112 13.617 3.024 -5.107 1.00 0.00 C ATOM 1741 CE2 PHE A 112 15.504 4.515 -5.390 1.00 0.00 C ATOM 1742 CZ PHE A 112 14.948 3.235 -5.479 1.00 0.00 C ATOM 0 H PHE A 112 13.563 7.728 -6.097 1.00 0.00 H new ATOM 0 HA PHE A 112 11.004 6.287 -5.553 1.00 0.00 H new ATOM 0 HB2 PHE A 112 13.191 7.315 -3.677 1.00 0.00 H new ATOM 0 HB3 PHE A 112 11.902 6.203 -3.261 1.00 0.00 H new ATOM 0 HD1 PHE A 112 11.812 3.927 -4.360 1.00 0.00 H new ATOM 0 HD2 PHE A 112 15.155 6.573 -4.861 1.00 0.00 H new ATOM 0 HE1 PHE A 112 13.188 2.035 -5.176 1.00 0.00 H new ATOM 0 HE2 PHE A 112 16.532 4.679 -5.677 1.00 0.00 H new ATOM 0 HZ PHE A 112 15.547 2.410 -5.835 1.00 0.00 H new ATOM 1752 N ASN A 113 9.689 8.220 -4.691 1.00 0.00 N ATOM 1753 CA ASN A 113 8.902 9.418 -4.290 1.00 0.00 C ATOM 1754 C ASN A 113 9.234 10.586 -5.223 1.00 0.00 C ATOM 1755 CB ASN A 113 9.252 9.803 -2.850 1.00 0.00 C ATOM 1756 CG ASN A 113 8.208 10.787 -2.317 1.00 0.00 C ATOM 1757 OD1 ASN A 113 7.151 10.941 -2.895 1.00 0.00 O ATOM 1758 ND2 ASN A 113 8.462 11.463 -1.230 1.00 0.00 N ATOM 1759 OXT ASN A 113 9.818 10.339 -6.265 1.00 0.00 O ATOM 0 H ASN A 113 9.144 7.370 -4.831 1.00 0.00 H new ATOM 0 HA ASN A 113 7.838 9.189 -4.357 1.00 0.00 H new ATOM 0 HB2 ASN A 113 9.283 8.913 -2.222 1.00 0.00 H new ATOM 0 HB3 ASN A 113 10.244 10.253 -2.813 1.00 0.00 H new ATOM 0 HD21 ASN A 113 7.773 12.121 -0.866 1.00 0.00 H new ATOM 0 HD22 ASN A 113 9.350 11.334 -0.745 1.00 0.00 H new