USER MOD reduce.3.24.130724 H: found=0, std=0, add=696, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 696 hydrogens (8 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: B 365 SEP H2 : B 365 SEP N : B 364 ILE C :(H bumps) USER MOD NoAdj-H: B 367 SEP H2 : B 367 SEP N : B 366 ASP C :(H bumps) USER MOD Set 1.1: A 19 ASN : amide:sc= 0.733 K(o=1.6,f=-1.1) USER MOD Set 1.2: A 31 GLN : amide:sc= 0.824 K(o=1.6,f=-0.81) USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 21 LYS NZ :NH3+ -157:sc= 1.29 (180deg=0.928) USER MOD Single : A 25 GLN : amide:sc= 1.1 K(o=1.1,f=-0.64) USER MOD Single : A 28 SER OG : rot -102:sc= 1.28 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 141:sc= 0.958 (180deg=0.339) USER MOD Single : A 37 HIS : no HD1:sc= 1.02 K(o=1,f=-5.8!) USER MOD Single : A 38 THR OG1 : rot -150:sc= -0.308 USER MOD Single : A 41 SER OG : rot -137:sc= 1.42 USER MOD Single : A 42 LYS NZ :NH3+ -120:sc= 2.08 (180deg=0.0679) USER MOD Single : A 44 MET CE :methyl 173:sc= -0.477 (180deg=-0.643) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 CYS SG : rot 180:sc= -0.385 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 54 SER OG : rot 180:sc= 0.0159 USER MOD Single : A 55 MET CE :methyl 164:sc= -0.0419 (180deg=-0.373) USER MOD Single : A 57 GLN : amide:sc= 0 K(o=0,f=-1.8!) USER MOD Single : A 65 GLN : amide:sc= -0.166 K(o=-0.17,f=-4!) USER MOD Single : A 68 ASN : amide:sc= 1.17 K(o=1.2,f=-0.13) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.0215 USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.688 USER MOD Single : A 75 GLN : amide:sc= -0.0773 X(o=-0.077,f=-0.48) USER MOD Single : A 78 MET CE :methyl -109:sc= -0.468 (180deg=-1.8) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= -0.117 K(o=-0.12,f=-2.7!) USER MOD Single : A 89 GLN : amide:sc= 0.34 K(o=0.34,f=-3.3!) USER MOD Single : A 90 GLN : amide:sc= -0.547 K(o=-0.55,f=-4.1!) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0.121 USER MOD Single : B 357 ASN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : B 358 ASN : amide:sc= -0.0928 K(o=-0.093,f=-4.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 16 -4.821 23.489 5.931 1.00 10.00 N ATOM 2 CA ASP A 16 -6.037 22.658 6.040 1.00 10.00 C ATOM 3 C ASP A 16 -5.685 21.202 5.765 1.00 10.00 C ATOM 4 O ASP A 16 -4.561 20.899 5.358 1.00 10.00 O ATOM 5 CB ASP A 16 -7.106 23.144 5.055 1.00 10.00 C ATOM 6 CG ASP A 16 -8.514 22.904 5.564 1.00 10.00 C ATOM 7 OD1 ASP A 16 -8.679 22.118 6.520 1.00 10.00 O ATOM 8 OD2 ASP A 16 -9.461 23.507 5.011 1.00 10.00 O ATOM 0 HA ASP A 16 -6.439 22.744 7.050 1.00 10.00 H new ATOM 0 HB2 ASP A 16 -6.967 24.209 4.868 1.00 10.00 H new ATOM 0 HB3 ASP A 16 -6.976 22.633 4.101 1.00 10.00 H new ATOM 13 N HIS A 17 -6.638 20.309 5.983 1.00 10.00 N ATOM 14 CA HIS A 17 -6.417 18.885 5.764 1.00 10.00 C ATOM 15 C HIS A 17 -7.353 18.353 4.687 1.00 10.00 C ATOM 16 O HIS A 17 -8.446 18.880 4.479 1.00 10.00 O ATOM 17 CB HIS A 17 -6.628 18.103 7.065 1.00 10.00 C ATOM 18 CG HIS A 17 -5.397 17.985 7.908 1.00 10.00 C ATOM 19 ND1 HIS A 17 -4.987 19.001 8.734 1.00 10.00 N ATOM 20 CD2 HIS A 17 -4.529 16.951 8.018 1.00 10.00 C ATOM 21 CE1 HIS A 17 -3.889 18.568 9.326 1.00 10.00 C ATOM 22 NE2 HIS A 17 -3.571 17.329 8.925 1.00 10.00 N ATOM 0 H HIS A 17 -7.574 20.544 6.312 1.00 10.00 H new ATOM 0 HA HIS A 17 -5.388 18.751 5.432 1.00 10.00 H new ATOM 0 HB2 HIS A 17 -7.410 18.590 7.647 1.00 10.00 H new ATOM 0 HB3 HIS A 17 -6.987 17.103 6.822 1.00 10.00 H new ATOM 0 HD2 HIS A 17 -4.581 16.009 7.492 1.00 10.00 H new ATOM 0 HE1 HIS A 17 -3.319 19.140 10.043 1.00 10.00 H new ATOM 0 HE2 HIS A 17 -2.772 16.775 9.234 1.00 10.00 H new ATOM 30 N ILE A 18 -6.918 17.307 4.007 1.00 10.00 N ATOM 31 CA ILE A 18 -7.711 16.697 2.957 1.00 10.00 C ATOM 32 C ILE A 18 -8.021 15.246 3.327 1.00 10.00 C ATOM 33 O ILE A 18 -7.191 14.560 3.928 1.00 10.00 O ATOM 34 CB ILE A 18 -6.983 16.781 1.589 1.00 10.00 C ATOM 35 CG1 ILE A 18 -7.955 16.538 0.436 1.00 10.00 C ATOM 36 CG2 ILE A 18 -5.814 15.802 1.513 1.00 10.00 C ATOM 37 CD1 ILE A 18 -7.384 16.914 -0.913 1.00 10.00 C ATOM 0 H ILE A 18 -6.014 16.861 4.165 1.00 10.00 H new ATOM 0 HA ILE A 18 -8.649 17.244 2.860 1.00 10.00 H new ATOM 0 HB ILE A 18 -6.582 17.790 1.498 1.00 10.00 H new ATOM 0 HG12 ILE A 18 -8.238 15.485 0.423 1.00 10.00 H new ATOM 0 HG13 ILE A 18 -8.866 17.111 0.610 1.00 10.00 H new ATOM 0 HG21 ILE A 18 -5.329 15.890 0.541 1.00 10.00 H new ATOM 0 HG22 ILE A 18 -5.095 16.032 2.299 1.00 10.00 H new ATOM 0 HG23 ILE A 18 -6.182 14.785 1.644 1.00 10.00 H new ATOM 0 HD11 ILE A 18 -8.124 16.717 -1.689 1.00 10.00 H new ATOM 0 HD12 ILE A 18 -7.127 17.973 -0.917 1.00 10.00 H new ATOM 0 HD13 ILE A 18 -6.489 16.323 -1.107 1.00 10.00 H new ATOM 49 N ASN A 19 -9.226 14.795 3.013 1.00 10.00 N ATOM 50 CA ASN A 19 -9.627 13.432 3.327 1.00 10.00 C ATOM 51 C ASN A 19 -9.647 12.579 2.070 1.00 10.00 C ATOM 52 O ASN A 19 -10.594 12.633 1.285 1.00 10.00 O ATOM 53 CB ASN A 19 -11.009 13.407 3.992 1.00 10.00 C ATOM 54 CG ASN A 19 -10.955 13.719 5.476 1.00 10.00 C ATOM 55 OD1 ASN A 19 -10.743 12.831 6.302 1.00 10.00 O ATOM 56 ND2 ASN A 19 -11.160 14.981 5.827 1.00 10.00 N ATOM 0 H ASN A 19 -9.941 15.350 2.543 1.00 10.00 H new ATOM 0 HA ASN A 19 -8.897 13.021 4.024 1.00 10.00 H new ATOM 0 HB2 ASN A 19 -11.658 14.130 3.497 1.00 10.00 H new ATOM 0 HB3 ASN A 19 -11.458 12.424 3.848 1.00 10.00 H new ATOM 0 HD21 ASN A 19 -11.145 15.245 6.812 1.00 10.00 H new ATOM 0 HD22 ASN A 19 -11.332 15.688 5.112 1.00 10.00 H new ATOM 63 N LEU A 20 -8.595 11.806 1.869 1.00 10.00 N ATOM 64 CA LEU A 20 -8.500 10.941 0.702 1.00 10.00 C ATOM 65 C LEU A 20 -9.034 9.556 1.042 1.00 10.00 C ATOM 66 O LEU A 20 -8.822 9.055 2.146 1.00 10.00 O ATOM 67 CB LEU A 20 -7.052 10.856 0.212 1.00 10.00 C ATOM 68 CG LEU A 20 -6.415 12.199 -0.166 1.00 10.00 C ATOM 69 CD1 LEU A 20 -4.961 12.004 -0.569 1.00 10.00 C ATOM 70 CD2 LEU A 20 -7.199 12.874 -1.286 1.00 10.00 C ATOM 0 H LEU A 20 -7.793 11.758 2.498 1.00 10.00 H new ATOM 0 HA LEU A 20 -9.104 11.364 -0.101 1.00 10.00 H new ATOM 0 HB2 LEU A 20 -6.448 10.391 0.991 1.00 10.00 H new ATOM 0 HB3 LEU A 20 -7.016 10.197 -0.656 1.00 10.00 H new ATOM 0 HG LEU A 20 -6.445 12.850 0.708 1.00 10.00 H new ATOM 0 HD11 LEU A 20 -4.525 12.967 -0.834 1.00 10.00 H new ATOM 0 HD12 LEU A 20 -4.407 11.572 0.264 1.00 10.00 H new ATOM 0 HD13 LEU A 20 -4.908 11.333 -1.427 1.00 10.00 H new ATOM 0 HD21 LEU A 20 -6.729 13.825 -1.537 1.00 10.00 H new ATOM 0 HD22 LEU A 20 -7.206 12.229 -2.165 1.00 10.00 H new ATOM 0 HD23 LEU A 20 -8.223 13.051 -0.958 1.00 10.00 H new ATOM 82 N LYS A 21 -9.737 8.948 0.101 1.00 10.00 N ATOM 83 CA LYS A 21 -10.309 7.631 0.313 1.00 10.00 C ATOM 84 C LYS A 21 -9.581 6.582 -0.516 1.00 10.00 C ATOM 85 O LYS A 21 -9.604 6.619 -1.748 1.00 10.00 O ATOM 86 CB LYS A 21 -11.797 7.638 -0.040 1.00 10.00 C ATOM 87 CG LYS A 21 -12.612 8.623 0.781 1.00 10.00 C ATOM 88 CD LYS A 21 -14.057 8.677 0.317 1.00 10.00 C ATOM 89 CE LYS A 21 -14.841 9.733 1.079 1.00 10.00 C ATOM 90 NZ LYS A 21 -16.271 9.774 0.672 1.00 10.00 N ATOM 0 H LYS A 21 -9.925 9.347 -0.819 1.00 10.00 H new ATOM 0 HA LYS A 21 -10.194 7.376 1.367 1.00 10.00 H new ATOM 0 HB2 LYS A 21 -11.910 7.878 -1.097 1.00 10.00 H new ATOM 0 HB3 LYS A 21 -12.201 6.636 0.104 1.00 10.00 H new ATOM 0 HG2 LYS A 21 -12.577 8.337 1.832 1.00 10.00 H new ATOM 0 HG3 LYS A 21 -12.168 9.615 0.706 1.00 10.00 H new ATOM 0 HD2 LYS A 21 -14.091 8.895 -0.750 1.00 10.00 H new ATOM 0 HD3 LYS A 21 -14.523 7.702 0.458 1.00 10.00 H new ATOM 0 HE2 LYS A 21 -14.775 9.531 2.148 1.00 10.00 H new ATOM 0 HE3 LYS A 21 -14.389 10.710 0.911 1.00 10.00 H new ATOM 0 HZ1 LYS A 21 -16.669 10.708 0.896 1.00 10.00 H new ATOM 0 HZ2 LYS A 21 -16.346 9.602 -0.351 1.00 10.00 H new ATOM 0 HZ3 LYS A 21 -16.799 9.040 1.186 1.00 10.00 H new ATOM 104 N VAL A 22 -8.921 5.664 0.163 1.00 10.00 N ATOM 105 CA VAL A 22 -8.208 4.592 -0.509 1.00 10.00 C ATOM 106 C VAL A 22 -9.100 3.357 -0.564 1.00 10.00 C ATOM 107 O VAL A 22 -9.633 2.924 0.460 1.00 10.00 O ATOM 108 CB VAL A 22 -6.876 4.263 0.202 1.00 10.00 C ATOM 109 CG1 VAL A 22 -6.247 2.996 -0.361 1.00 10.00 C ATOM 110 CG2 VAL A 22 -5.911 5.435 0.082 1.00 10.00 C ATOM 0 H VAL A 22 -8.863 5.638 1.181 1.00 10.00 H new ATOM 0 HA VAL A 22 -7.964 4.917 -1.520 1.00 10.00 H new ATOM 0 HB VAL A 22 -7.090 4.089 1.256 1.00 10.00 H new ATOM 0 HG11 VAL A 22 -5.312 2.792 0.160 1.00 10.00 H new ATOM 0 HG12 VAL A 22 -6.930 2.158 -0.222 1.00 10.00 H new ATOM 0 HG13 VAL A 22 -6.048 3.130 -1.424 1.00 10.00 H new ATOM 0 HG21 VAL A 22 -4.977 5.190 0.587 1.00 10.00 H new ATOM 0 HG22 VAL A 22 -5.712 5.637 -0.971 1.00 10.00 H new ATOM 0 HG23 VAL A 22 -6.352 6.318 0.544 1.00 10.00 H new ATOM 120 N ALA A 23 -9.283 2.814 -1.758 1.00 10.00 N ATOM 121 CA ALA A 23 -10.129 1.644 -1.940 1.00 10.00 C ATOM 122 C ALA A 23 -9.315 0.356 -1.920 1.00 10.00 C ATOM 123 O ALA A 23 -8.490 0.117 -2.805 1.00 10.00 O ATOM 124 CB ALA A 23 -10.912 1.763 -3.238 1.00 10.00 C ATOM 0 H ALA A 23 -8.857 3.165 -2.616 1.00 10.00 H new ATOM 0 HA ALA A 23 -10.829 1.601 -1.106 1.00 10.00 H new ATOM 0 HB1 ALA A 23 -11.542 0.883 -3.365 1.00 10.00 H new ATOM 0 HB2 ALA A 23 -11.537 2.655 -3.205 1.00 10.00 H new ATOM 0 HB3 ALA A 23 -10.219 1.837 -4.076 1.00 10.00 H new ATOM 130 N GLY A 24 -9.545 -0.462 -0.900 1.00 10.00 N ATOM 131 CA GLY A 24 -8.842 -1.722 -0.784 1.00 10.00 C ATOM 132 C GLY A 24 -9.447 -2.791 -1.674 1.00 10.00 C ATOM 133 O GLY A 24 -10.615 -2.698 -2.061 1.00 10.00 O ATOM 0 H GLY A 24 -10.209 -0.273 -0.149 1.00 10.00 H new ATOM 0 HA2 GLY A 24 -7.794 -1.579 -1.049 1.00 10.00 H new ATOM 0 HA3 GLY A 24 -8.866 -2.057 0.253 1.00 10.00 H new ATOM 137 N GLN A 25 -8.662 -3.816 -1.977 1.00 10.00 N ATOM 138 CA GLN A 25 -9.117 -4.905 -2.837 1.00 10.00 C ATOM 139 C GLN A 25 -10.175 -5.763 -2.151 1.00 10.00 C ATOM 140 O GLN A 25 -10.815 -6.596 -2.791 1.00 10.00 O ATOM 141 CB GLN A 25 -7.936 -5.780 -3.248 1.00 10.00 C ATOM 142 CG GLN A 25 -7.086 -5.179 -4.352 1.00 10.00 C ATOM 143 CD GLN A 25 -7.819 -5.112 -5.678 1.00 10.00 C ATOM 144 OE1 GLN A 25 -8.597 -6.005 -6.022 1.00 10.00 O ATOM 145 NE2 GLN A 25 -7.585 -4.049 -6.428 1.00 10.00 N ATOM 0 H GLN A 25 -7.705 -3.918 -1.640 1.00 10.00 H new ATOM 0 HA GLN A 25 -9.568 -4.456 -3.722 1.00 10.00 H new ATOM 0 HB2 GLN A 25 -7.308 -5.960 -2.376 1.00 10.00 H new ATOM 0 HB3 GLN A 25 -8.311 -6.749 -3.577 1.00 10.00 H new ATOM 0 HG2 GLN A 25 -6.775 -4.176 -4.061 1.00 10.00 H new ATOM 0 HG3 GLN A 25 -6.179 -5.772 -4.471 1.00 10.00 H new ATOM 0 HE21 GLN A 25 -6.934 -3.332 -6.108 1.00 10.00 H new ATOM 0 HE22 GLN A 25 -8.055 -3.946 -7.327 1.00 10.00 H new ATOM 154 N ASP A 26 -10.352 -5.560 -0.851 1.00 10.00 N ATOM 155 CA ASP A 26 -11.335 -6.311 -0.079 1.00 10.00 C ATOM 156 C ASP A 26 -12.577 -5.464 0.183 1.00 10.00 C ATOM 157 O ASP A 26 -13.558 -5.941 0.754 1.00 10.00 O ATOM 158 CB ASP A 26 -10.727 -6.774 1.248 1.00 10.00 C ATOM 159 CG ASP A 26 -10.425 -5.623 2.188 1.00 10.00 C ATOM 160 OD1 ASP A 26 -10.129 -4.511 1.698 1.00 10.00 O ATOM 161 OD2 ASP A 26 -10.463 -5.828 3.416 1.00 10.00 O ATOM 0 H ASP A 26 -9.824 -4.878 -0.307 1.00 10.00 H new ATOM 0 HA ASP A 26 -11.628 -7.186 -0.659 1.00 10.00 H new ATOM 0 HB2 ASP A 26 -11.414 -7.465 1.736 1.00 10.00 H new ATOM 0 HB3 ASP A 26 -9.808 -7.325 1.049 1.00 10.00 H new ATOM 166 N GLY A 27 -12.525 -4.205 -0.236 1.00 10.00 N ATOM 167 CA GLY A 27 -13.653 -3.309 -0.051 1.00 10.00 C ATOM 168 C GLY A 27 -13.520 -2.415 1.170 1.00 10.00 C ATOM 169 O GLY A 27 -14.475 -1.734 1.548 1.00 10.00 O ATOM 0 H GLY A 27 -11.720 -3.787 -0.702 1.00 10.00 H new ATOM 0 HA2 GLY A 27 -13.761 -2.685 -0.938 1.00 10.00 H new ATOM 0 HA3 GLY A 27 -14.565 -3.899 0.038 1.00 10.00 H new ATOM 173 N SER A 28 -12.351 -2.418 1.795 1.00 10.00 N ATOM 174 CA SER A 28 -12.122 -1.588 2.970 1.00 10.00 C ATOM 175 C SER A 28 -11.931 -0.129 2.575 1.00 10.00 C ATOM 176 O SER A 28 -11.239 0.178 1.598 1.00 10.00 O ATOM 177 CB SER A 28 -10.896 -2.080 3.743 1.00 10.00 C ATOM 178 OG SER A 28 -9.792 -2.292 2.878 1.00 10.00 O ATOM 0 H SER A 28 -11.550 -2.982 1.511 1.00 10.00 H new ATOM 0 HA SER A 28 -13.001 -1.664 3.611 1.00 10.00 H new ATOM 0 HB2 SER A 28 -10.628 -1.350 4.506 1.00 10.00 H new ATOM 0 HB3 SER A 28 -11.138 -3.008 4.261 1.00 10.00 H new ATOM 0 HG SER A 28 -9.696 -3.251 2.699 1.00 10.00 H new ATOM 184 N VAL A 29 -12.567 0.766 3.318 1.00 10.00 N ATOM 185 CA VAL A 29 -12.439 2.186 3.055 1.00 10.00 C ATOM 186 C VAL A 29 -11.437 2.794 4.029 1.00 10.00 C ATOM 187 O VAL A 29 -11.664 2.837 5.241 1.00 10.00 O ATOM 188 CB VAL A 29 -13.797 2.934 3.138 1.00 10.00 C ATOM 189 CG1 VAL A 29 -14.491 2.703 4.472 1.00 10.00 C ATOM 190 CG2 VAL A 29 -13.600 4.425 2.888 1.00 10.00 C ATOM 0 H VAL A 29 -13.174 0.532 4.104 1.00 10.00 H new ATOM 0 HA VAL A 29 -12.081 2.302 2.032 1.00 10.00 H new ATOM 0 HB VAL A 29 -14.443 2.528 2.360 1.00 10.00 H new ATOM 0 HG11 VAL A 29 -15.437 3.244 4.488 1.00 10.00 H new ATOM 0 HG12 VAL A 29 -14.680 1.638 4.604 1.00 10.00 H new ATOM 0 HG13 VAL A 29 -13.854 3.062 5.280 1.00 10.00 H new ATOM 0 HG21 VAL A 29 -14.562 4.934 2.950 1.00 10.00 H new ATOM 0 HG22 VAL A 29 -12.924 4.834 3.639 1.00 10.00 H new ATOM 0 HG23 VAL A 29 -13.173 4.574 1.896 1.00 10.00 H new ATOM 200 N VAL A 30 -10.308 3.225 3.498 1.00 10.00 N ATOM 201 CA VAL A 30 -9.270 3.826 4.315 1.00 10.00 C ATOM 202 C VAL A 30 -9.349 5.345 4.239 1.00 10.00 C ATOM 203 O VAL A 30 -9.132 5.931 3.174 1.00 10.00 O ATOM 204 CB VAL A 30 -7.865 3.368 3.880 1.00 10.00 C ATOM 205 CG1 VAL A 30 -6.886 3.486 5.033 1.00 10.00 C ATOM 206 CG2 VAL A 30 -7.889 1.944 3.347 1.00 10.00 C ATOM 0 H VAL A 30 -10.086 3.170 2.504 1.00 10.00 H new ATOM 0 HA VAL A 30 -9.436 3.498 5.341 1.00 10.00 H new ATOM 0 HB VAL A 30 -7.535 4.023 3.073 1.00 10.00 H new ATOM 0 HG11 VAL A 30 -5.899 3.158 4.707 1.00 10.00 H new ATOM 0 HG12 VAL A 30 -6.834 4.524 5.361 1.00 10.00 H new ATOM 0 HG13 VAL A 30 -7.221 2.861 5.860 1.00 10.00 H new ATOM 0 HG21 VAL A 30 -6.883 1.650 3.048 1.00 10.00 H new ATOM 0 HG22 VAL A 30 -8.248 1.270 4.125 1.00 10.00 H new ATOM 0 HG23 VAL A 30 -8.554 1.889 2.485 1.00 10.00 H new ATOM 216 N GLN A 31 -9.673 5.971 5.363 1.00 10.00 N ATOM 217 CA GLN A 31 -9.778 7.425 5.424 1.00 10.00 C ATOM 218 C GLN A 31 -8.417 8.034 5.734 1.00 10.00 C ATOM 219 O GLN A 31 -7.944 7.992 6.873 1.00 10.00 O ATOM 220 CB GLN A 31 -10.808 7.851 6.476 1.00 10.00 C ATOM 221 CG GLN A 31 -11.279 9.291 6.317 1.00 10.00 C ATOM 222 CD GLN A 31 -12.410 9.653 7.260 1.00 10.00 C ATOM 223 OE1 GLN A 31 -13.212 8.802 7.653 1.00 10.00 O ATOM 224 NE2 GLN A 31 -12.491 10.923 7.620 1.00 10.00 N ATOM 0 H GLN A 31 -9.868 5.496 6.245 1.00 10.00 H new ATOM 0 HA GLN A 31 -10.114 7.790 4.453 1.00 10.00 H new ATOM 0 HB2 GLN A 31 -11.670 7.187 6.419 1.00 10.00 H new ATOM 0 HB3 GLN A 31 -10.375 7.726 7.468 1.00 10.00 H new ATOM 0 HG2 GLN A 31 -10.439 9.963 6.491 1.00 10.00 H new ATOM 0 HG3 GLN A 31 -11.606 9.449 5.289 1.00 10.00 H new ATOM 0 HE21 GLN A 31 -11.808 11.596 7.273 1.00 10.00 H new ATOM 0 HE22 GLN A 31 -13.237 11.229 8.245 1.00 10.00 H new ATOM 233 N PHE A 32 -7.790 8.584 4.709 1.00 10.00 N ATOM 234 CA PHE A 32 -6.478 9.191 4.847 1.00 10.00 C ATOM 235 C PHE A 32 -6.583 10.682 5.149 1.00 10.00 C ATOM 236 O PHE A 32 -6.920 11.479 4.271 1.00 10.00 O ATOM 237 CB PHE A 32 -5.669 9.003 3.559 1.00 10.00 C ATOM 238 CG PHE A 32 -4.817 7.767 3.536 1.00 10.00 C ATOM 239 CD1 PHE A 32 -5.386 6.516 3.372 1.00 10.00 C ATOM 240 CD2 PHE A 32 -3.442 7.861 3.665 1.00 10.00 C ATOM 241 CE1 PHE A 32 -4.599 5.380 3.336 1.00 10.00 C ATOM 242 CE2 PHE A 32 -2.648 6.729 3.632 1.00 10.00 C ATOM 243 CZ PHE A 32 -3.228 5.487 3.467 1.00 10.00 C ATOM 0 H PHE A 32 -8.173 8.623 3.764 1.00 10.00 H new ATOM 0 HA PHE A 32 -5.976 8.698 5.679 1.00 10.00 H new ATOM 0 HB2 PHE A 32 -6.357 8.971 2.714 1.00 10.00 H new ATOM 0 HB3 PHE A 32 -5.029 9.874 3.416 1.00 10.00 H new ATOM 0 HD1 PHE A 32 -6.458 6.426 3.271 1.00 10.00 H new ATOM 0 HD2 PHE A 32 -2.983 8.830 3.793 1.00 10.00 H new ATOM 0 HE1 PHE A 32 -5.056 4.410 3.206 1.00 10.00 H new ATOM 0 HE2 PHE A 32 -1.576 6.816 3.735 1.00 10.00 H new ATOM 0 HZ PHE A 32 -2.611 4.601 3.440 1.00 10.00 H new ATOM 253 N LYS A 33 -6.308 11.052 6.392 1.00 10.00 N ATOM 254 CA LYS A 33 -6.332 12.452 6.790 1.00 10.00 C ATOM 255 C LYS A 33 -4.924 13.018 6.673 1.00 10.00 C ATOM 256 O LYS A 33 -4.117 12.915 7.599 1.00 10.00 O ATOM 257 CB LYS A 33 -6.864 12.615 8.217 1.00 10.00 C ATOM 258 CG LYS A 33 -7.068 14.068 8.618 1.00 10.00 C ATOM 259 CD LYS A 33 -8.208 14.225 9.608 1.00 10.00 C ATOM 260 CE LYS A 33 -8.550 15.688 9.834 1.00 10.00 C ATOM 261 NZ LYS A 33 -9.734 15.855 10.715 1.00 10.00 N ATOM 0 H LYS A 33 -6.066 10.403 7.141 1.00 10.00 H new ATOM 0 HA LYS A 33 -7.006 13.000 6.131 1.00 10.00 H new ATOM 0 HB2 LYS A 33 -7.811 12.083 8.308 1.00 10.00 H new ATOM 0 HB3 LYS A 33 -6.168 12.147 8.913 1.00 10.00 H new ATOM 0 HG2 LYS A 33 -6.149 14.456 9.057 1.00 10.00 H new ATOM 0 HG3 LYS A 33 -7.273 14.665 7.729 1.00 10.00 H new ATOM 0 HD2 LYS A 33 -9.087 13.697 9.239 1.00 10.00 H new ATOM 0 HD3 LYS A 33 -7.934 13.763 10.557 1.00 10.00 H new ATOM 0 HE2 LYS A 33 -7.694 16.196 10.278 1.00 10.00 H new ATOM 0 HE3 LYS A 33 -8.742 16.167 8.874 1.00 10.00 H new ATOM 0 HZ1 LYS A 33 -9.932 16.868 10.842 1.00 10.00 H new ATOM 0 HZ2 LYS A 33 -10.558 15.393 10.280 1.00 10.00 H new ATOM 0 HZ3 LYS A 33 -9.542 15.421 11.640 1.00 10.00 H new ATOM 275 N ILE A 34 -4.630 13.589 5.512 1.00 10.00 N ATOM 276 CA ILE A 34 -3.305 14.133 5.243 1.00 10.00 C ATOM 277 C ILE A 34 -3.409 15.541 4.622 1.00 10.00 C ATOM 278 O ILE A 34 -4.508 16.007 4.335 1.00 10.00 O ATOM 279 CB ILE A 34 -2.483 13.156 4.332 1.00 10.00 C ATOM 280 CG1 ILE A 34 -2.205 13.736 2.943 1.00 10.00 C ATOM 281 CG2 ILE A 34 -3.181 11.803 4.206 1.00 10.00 C ATOM 282 CD1 ILE A 34 -1.665 12.731 1.948 1.00 10.00 C ATOM 0 H ILE A 34 -5.291 13.687 4.741 1.00 10.00 H new ATOM 0 HA ILE A 34 -2.770 14.231 6.188 1.00 10.00 H new ATOM 0 HB ILE A 34 -1.521 13.016 4.824 1.00 10.00 H new ATOM 0 HG12 ILE A 34 -3.127 14.162 2.548 1.00 10.00 H new ATOM 0 HG13 ILE A 34 -1.492 14.554 3.039 1.00 10.00 H new ATOM 0 HG21 ILE A 34 -2.589 11.146 3.569 1.00 10.00 H new ATOM 0 HG22 ILE A 34 -3.285 11.354 5.194 1.00 10.00 H new ATOM 0 HG23 ILE A 34 -4.168 11.942 3.765 1.00 10.00 H new ATOM 0 HD11 ILE A 34 -1.495 13.223 0.990 1.00 10.00 H new ATOM 0 HD12 ILE A 34 -0.725 12.322 2.318 1.00 10.00 H new ATOM 0 HD13 ILE A 34 -2.386 11.924 1.819 1.00 10.00 H new ATOM 294 N LYS A 35 -2.278 16.231 4.454 1.00 10.00 N ATOM 295 CA LYS A 35 -2.286 17.570 3.865 1.00 10.00 C ATOM 296 C LYS A 35 -2.038 17.494 2.358 1.00 10.00 C ATOM 297 O LYS A 35 -1.727 16.433 1.822 1.00 10.00 O ATOM 298 CB LYS A 35 -1.238 18.467 4.527 1.00 10.00 C ATOM 299 CG LYS A 35 -1.602 18.895 5.942 1.00 10.00 C ATOM 300 CD LYS A 35 -0.590 19.884 6.501 1.00 10.00 C ATOM 301 CE LYS A 35 -0.903 20.256 7.942 1.00 10.00 C ATOM 302 NZ LYS A 35 0.110 21.188 8.506 1.00 10.00 N ATOM 0 H LYS A 35 -1.354 15.888 4.715 1.00 10.00 H new ATOM 0 HA LYS A 35 -3.269 18.007 4.038 1.00 10.00 H new ATOM 0 HB2 LYS A 35 -0.284 17.939 4.551 1.00 10.00 H new ATOM 0 HB3 LYS A 35 -1.095 19.357 3.914 1.00 10.00 H new ATOM 0 HG2 LYS A 35 -2.594 19.347 5.943 1.00 10.00 H new ATOM 0 HG3 LYS A 35 -1.651 18.018 6.588 1.00 10.00 H new ATOM 0 HD2 LYS A 35 0.409 19.452 6.446 1.00 10.00 H new ATOM 0 HD3 LYS A 35 -0.583 20.784 5.886 1.00 10.00 H new ATOM 0 HE2 LYS A 35 -1.889 20.718 7.992 1.00 10.00 H new ATOM 0 HE3 LYS A 35 -0.943 19.352 8.550 1.00 10.00 H new ATOM 0 HZ1 LYS A 35 -0.364 21.896 9.103 1.00 10.00 H new ATOM 0 HZ2 LYS A 35 0.793 20.653 9.079 1.00 10.00 H new ATOM 0 HZ3 LYS A 35 0.610 21.668 7.731 1.00 10.00 H new ATOM 316 N ARG A 36 -2.145 18.624 1.677 1.00 10.00 N ATOM 317 CA ARG A 36 -1.958 18.648 0.231 1.00 10.00 C ATOM 318 C ARG A 36 -0.483 18.654 -0.150 1.00 10.00 C ATOM 319 O ARG A 36 -0.134 18.368 -1.295 1.00 10.00 O ATOM 320 CB ARG A 36 -2.662 19.857 -0.384 1.00 10.00 C ATOM 321 CG ARG A 36 -4.141 19.939 -0.045 1.00 10.00 C ATOM 322 CD ARG A 36 -4.833 21.043 -0.826 1.00 10.00 C ATOM 323 NE ARG A 36 -5.571 20.518 -1.976 1.00 10.00 N ATOM 324 CZ ARG A 36 -6.897 20.599 -2.117 1.00 10.00 C ATOM 325 NH1 ARG A 36 -7.640 21.170 -1.175 1.00 10.00 N ATOM 326 NH2 ARG A 36 -7.480 20.095 -3.198 1.00 10.00 N ATOM 0 H ARG A 36 -2.358 19.530 2.095 1.00 10.00 H new ATOM 0 HA ARG A 36 -2.403 17.736 -0.166 1.00 10.00 H new ATOM 0 HB2 ARG A 36 -2.169 20.767 -0.042 1.00 10.00 H new ATOM 0 HB3 ARG A 36 -2.548 19.821 -1.467 1.00 10.00 H new ATOM 0 HG2 ARG A 36 -4.618 18.984 -0.263 1.00 10.00 H new ATOM 0 HG3 ARG A 36 -4.261 20.118 1.023 1.00 10.00 H new ATOM 0 HD2 ARG A 36 -5.518 21.578 -0.169 1.00 10.00 H new ATOM 0 HD3 ARG A 36 -4.092 21.765 -1.169 1.00 10.00 H new ATOM 0 HE ARG A 36 -5.039 20.061 -2.717 1.00 10.00 H new ATOM 0 HH11 ARG A 36 -7.198 21.550 -0.338 1.00 10.00 H new ATOM 0 HH12 ARG A 36 -8.652 21.228 -1.289 1.00 10.00 H new ATOM 0 HH21 ARG A 36 -6.916 19.647 -3.920 1.00 10.00 H new ATOM 0 HH22 ARG A 36 -8.492 20.156 -3.307 1.00 10.00 H new ATOM 340 N HIS A 37 0.382 18.977 0.800 1.00 10.00 N ATOM 341 CA HIS A 37 1.813 19.011 0.527 1.00 10.00 C ATOM 342 C HIS A 37 2.478 17.690 0.913 1.00 10.00 C ATOM 343 O HIS A 37 3.625 17.439 0.546 1.00 10.00 O ATOM 344 CB HIS A 37 2.477 20.192 1.255 1.00 10.00 C ATOM 345 CG HIS A 37 2.864 19.922 2.684 1.00 10.00 C ATOM 346 ND1 HIS A 37 4.176 19.716 3.043 1.00 10.00 N ATOM 347 CD2 HIS A 37 2.086 19.839 3.790 1.00 10.00 C ATOM 348 CE1 HIS A 37 4.164 19.517 4.349 1.00 10.00 C ATOM 349 NE2 HIS A 37 2.926 19.582 4.842 1.00 10.00 N ATOM 0 H HIS A 37 0.123 19.217 1.757 1.00 10.00 H new ATOM 0 HA HIS A 37 1.948 19.152 -0.545 1.00 10.00 H new ATOM 0 HB2 HIS A 37 3.369 20.485 0.702 1.00 10.00 H new ATOM 0 HB3 HIS A 37 1.795 21.042 1.233 1.00 10.00 H new ATOM 0 HD2 HIS A 37 1.013 19.953 3.834 1.00 10.00 H new ATOM 0 HE1 HIS A 37 5.046 19.326 4.943 1.00 10.00 H new ATOM 0 HE2 HIS A 37 2.656 19.463 5.818 1.00 10.00 H new ATOM 357 N THR A 38 1.752 16.854 1.644 1.00 10.00 N ATOM 358 CA THR A 38 2.269 15.567 2.078 1.00 10.00 C ATOM 359 C THR A 38 2.463 14.635 0.883 1.00 10.00 C ATOM 360 O THR A 38 1.501 14.301 0.193 1.00 10.00 O ATOM 361 CB THR A 38 1.310 14.912 3.090 1.00 10.00 C ATOM 362 OG1 THR A 38 0.800 15.909 3.990 1.00 10.00 O ATOM 363 CG2 THR A 38 2.016 13.821 3.883 1.00 10.00 C ATOM 0 H THR A 38 0.798 17.048 1.949 1.00 10.00 H new ATOM 0 HA THR A 38 3.233 15.736 2.558 1.00 10.00 H new ATOM 0 HB THR A 38 0.487 14.459 2.538 1.00 10.00 H new ATOM 0 HG1 THR A 38 0.609 15.498 4.859 1.00 10.00 H new ATOM 0 HG21 THR A 38 1.317 13.375 4.590 1.00 10.00 H new ATOM 0 HG22 THR A 38 2.381 13.054 3.201 1.00 10.00 H new ATOM 0 HG23 THR A 38 2.856 14.252 4.427 1.00 10.00 H new ATOM 371 N PRO A 39 3.714 14.219 0.614 1.00 10.00 N ATOM 372 CA PRO A 39 4.030 13.329 -0.510 1.00 10.00 C ATOM 373 C PRO A 39 3.210 12.043 -0.492 1.00 10.00 C ATOM 374 O PRO A 39 3.019 11.426 0.561 1.00 10.00 O ATOM 375 CB PRO A 39 5.517 13.016 -0.310 1.00 10.00 C ATOM 376 CG PRO A 39 6.043 14.149 0.492 1.00 10.00 C ATOM 377 CD PRO A 39 4.918 14.584 1.385 1.00 10.00 C ATOM 0 HA PRO A 39 3.801 13.795 -1.468 1.00 10.00 H new ATOM 0 HB2 PRO A 39 5.654 12.067 0.209 1.00 10.00 H new ATOM 0 HB3 PRO A 39 6.035 12.934 -1.265 1.00 10.00 H new ATOM 0 HG2 PRO A 39 6.910 13.843 1.078 1.00 10.00 H new ATOM 0 HG3 PRO A 39 6.367 14.966 -0.153 1.00 10.00 H new ATOM 0 HD2 PRO A 39 4.949 14.075 2.348 1.00 10.00 H new ATOM 0 HD3 PRO A 39 4.956 15.654 1.589 1.00 10.00 H new ATOM 385 N LEU A 40 2.742 11.634 -1.667 1.00 10.00 N ATOM 386 CA LEU A 40 1.936 10.425 -1.794 1.00 10.00 C ATOM 387 C LEU A 40 2.764 9.187 -1.479 1.00 10.00 C ATOM 388 O LEU A 40 2.217 8.109 -1.248 1.00 10.00 O ATOM 389 CB LEU A 40 1.324 10.328 -3.192 1.00 10.00 C ATOM 390 CG LEU A 40 0.196 11.330 -3.471 1.00 10.00 C ATOM 391 CD1 LEU A 40 -0.277 11.217 -4.908 1.00 10.00 C ATOM 392 CD2 LEU A 40 -0.969 11.110 -2.517 1.00 10.00 C ATOM 0 H LEU A 40 2.908 12.123 -2.547 1.00 10.00 H new ATOM 0 HA LEU A 40 1.123 10.481 -1.070 1.00 10.00 H new ATOM 0 HB2 LEU A 40 2.113 10.475 -3.930 1.00 10.00 H new ATOM 0 HB3 LEU A 40 0.938 9.319 -3.335 1.00 10.00 H new ATOM 0 HG LEU A 40 0.590 12.334 -3.312 1.00 10.00 H new ATOM 0 HD11 LEU A 40 -1.077 11.936 -5.085 1.00 10.00 H new ATOM 0 HD12 LEU A 40 0.554 11.425 -5.582 1.00 10.00 H new ATOM 0 HD13 LEU A 40 -0.648 10.209 -5.091 1.00 10.00 H new ATOM 0 HD21 LEU A 40 -1.757 11.831 -2.733 1.00 10.00 H new ATOM 0 HD22 LEU A 40 -1.357 10.099 -2.644 1.00 10.00 H new ATOM 0 HD23 LEU A 40 -0.628 11.242 -1.490 1.00 10.00 H new ATOM 404 N SER A 41 4.082 9.346 -1.467 1.00 10.00 N ATOM 405 CA SER A 41 4.977 8.251 -1.140 1.00 10.00 C ATOM 406 C SER A 41 4.748 7.825 0.308 1.00 10.00 C ATOM 407 O SER A 41 4.738 6.635 0.629 1.00 10.00 O ATOM 408 CB SER A 41 6.424 8.689 -1.346 1.00 10.00 C ATOM 409 OG SER A 41 6.497 10.087 -1.584 1.00 10.00 O ATOM 0 H SER A 41 4.552 10.226 -1.681 1.00 10.00 H new ATOM 0 HA SER A 41 4.775 7.403 -1.794 1.00 10.00 H new ATOM 0 HB2 SER A 41 7.015 8.434 -0.466 1.00 10.00 H new ATOM 0 HB3 SER A 41 6.856 8.149 -2.188 1.00 10.00 H new ATOM 0 HG SER A 41 7.125 10.262 -2.316 1.00 10.00 H new ATOM 415 N LYS A 42 4.533 8.818 1.168 1.00 10.00 N ATOM 416 CA LYS A 42 4.272 8.574 2.578 1.00 10.00 C ATOM 417 C LYS A 42 2.920 7.887 2.722 1.00 10.00 C ATOM 418 O LYS A 42 2.737 7.013 3.568 1.00 10.00 O ATOM 419 CB LYS A 42 4.284 9.899 3.352 1.00 10.00 C ATOM 420 CG LYS A 42 4.105 9.739 4.855 1.00 10.00 C ATOM 421 CD LYS A 42 4.119 11.087 5.569 1.00 10.00 C ATOM 422 CE LYS A 42 5.437 11.326 6.300 1.00 10.00 C ATOM 423 NZ LYS A 42 5.255 12.088 7.570 1.00 10.00 N ATOM 0 H LYS A 42 4.535 9.804 0.907 1.00 10.00 H new ATOM 0 HA LYS A 42 5.049 7.930 2.989 1.00 10.00 H new ATOM 0 HB2 LYS A 42 5.227 10.411 3.161 1.00 10.00 H new ATOM 0 HB3 LYS A 42 3.490 10.540 2.968 1.00 10.00 H new ATOM 0 HG2 LYS A 42 3.163 9.229 5.058 1.00 10.00 H new ATOM 0 HG3 LYS A 42 4.901 9.108 5.252 1.00 10.00 H new ATOM 0 HD2 LYS A 42 3.955 11.884 4.844 1.00 10.00 H new ATOM 0 HD3 LYS A 42 3.295 11.130 6.281 1.00 10.00 H new ATOM 0 HE2 LYS A 42 5.906 10.367 6.519 1.00 10.00 H new ATOM 0 HE3 LYS A 42 6.118 11.872 5.647 1.00 10.00 H new ATOM 0 HZ1 LYS A 42 5.798 12.974 7.524 1.00 10.00 H new ATOM 0 HZ2 LYS A 42 4.247 12.306 7.703 1.00 10.00 H new ATOM 0 HZ3 LYS A 42 5.593 11.516 8.370 1.00 10.00 H new ATOM 437 N LEU A 43 1.984 8.287 1.865 1.00 10.00 N ATOM 438 CA LEU A 43 0.641 7.721 1.851 1.00 10.00 C ATOM 439 C LEU A 43 0.700 6.234 1.510 1.00 10.00 C ATOM 440 O LEU A 43 0.062 5.407 2.165 1.00 10.00 O ATOM 441 CB LEU A 43 -0.227 8.473 0.833 1.00 10.00 C ATOM 442 CG LEU A 43 -1.691 8.033 0.749 1.00 10.00 C ATOM 443 CD1 LEU A 43 -2.595 9.236 0.521 1.00 10.00 C ATOM 444 CD2 LEU A 43 -1.886 7.007 -0.360 1.00 10.00 C ATOM 0 H LEU A 43 2.136 9.011 1.163 1.00 10.00 H new ATOM 0 HA LEU A 43 0.196 7.829 2.840 1.00 10.00 H new ATOM 0 HB2 LEU A 43 -0.200 9.535 1.076 1.00 10.00 H new ATOM 0 HB3 LEU A 43 0.223 8.360 -0.153 1.00 10.00 H new ATOM 0 HG LEU A 43 -1.961 7.567 1.697 1.00 10.00 H new ATOM 0 HD11 LEU A 43 -3.632 8.906 0.464 1.00 10.00 H new ATOM 0 HD12 LEU A 43 -2.483 9.937 1.348 1.00 10.00 H new ATOM 0 HD13 LEU A 43 -2.318 9.727 -0.412 1.00 10.00 H new ATOM 0 HD21 LEU A 43 -2.934 6.710 -0.400 1.00 10.00 H new ATOM 0 HD22 LEU A 43 -1.596 7.444 -1.315 1.00 10.00 H new ATOM 0 HD23 LEU A 43 -1.268 6.132 -0.159 1.00 10.00 H new ATOM 456 N MET A 44 1.483 5.902 0.490 1.00 10.00 N ATOM 457 CA MET A 44 1.634 4.520 0.052 1.00 10.00 C ATOM 458 C MET A 44 2.264 3.675 1.155 1.00 10.00 C ATOM 459 O MET A 44 1.812 2.564 1.438 1.00 10.00 O ATOM 460 CB MET A 44 2.491 4.447 -1.217 1.00 10.00 C ATOM 461 CG MET A 44 1.845 5.101 -2.428 1.00 10.00 C ATOM 462 SD MET A 44 2.694 4.711 -3.973 1.00 10.00 S ATOM 463 CE MET A 44 4.244 5.578 -3.746 1.00 10.00 C ATOM 0 H MET A 44 2.026 6.575 -0.051 1.00 10.00 H new ATOM 0 HA MET A 44 0.643 4.124 -0.171 1.00 10.00 H new ATOM 0 HB2 MET A 44 3.451 4.926 -1.025 1.00 10.00 H new ATOM 0 HB3 MET A 44 2.697 3.401 -1.446 1.00 10.00 H new ATOM 0 HG2 MET A 44 0.806 4.778 -2.498 1.00 10.00 H new ATOM 0 HG3 MET A 44 1.834 6.182 -2.288 1.00 10.00 H new ATOM 0 HE1 MET A 44 4.923 5.330 -4.562 1.00 10.00 H new ATOM 0 HE2 MET A 44 4.062 6.653 -3.739 1.00 10.00 H new ATOM 0 HE3 MET A 44 4.692 5.280 -2.798 1.00 10.00 H new ATOM 473 N LYS A 45 3.299 4.214 1.791 1.00 10.00 N ATOM 474 CA LYS A 45 3.988 3.507 2.864 1.00 10.00 C ATOM 475 C LYS A 45 3.070 3.309 4.067 1.00 10.00 C ATOM 476 O LYS A 45 3.127 2.275 4.729 1.00 10.00 O ATOM 477 CB LYS A 45 5.246 4.263 3.292 1.00 10.00 C ATOM 478 CG LYS A 45 6.336 4.283 2.231 1.00 10.00 C ATOM 479 CD LYS A 45 7.671 4.740 2.806 1.00 10.00 C ATOM 480 CE LYS A 45 7.587 6.145 3.384 1.00 10.00 C ATOM 481 NZ LYS A 45 8.780 6.484 4.207 1.00 10.00 N ATOM 0 H LYS A 45 3.679 5.137 1.582 1.00 10.00 H new ATOM 0 HA LYS A 45 4.277 2.528 2.481 1.00 10.00 H new ATOM 0 HB2 LYS A 45 4.976 5.289 3.542 1.00 10.00 H new ATOM 0 HB3 LYS A 45 5.642 3.807 4.199 1.00 10.00 H new ATOM 0 HG2 LYS A 45 6.446 3.287 1.803 1.00 10.00 H new ATOM 0 HG3 LYS A 45 6.042 4.948 1.419 1.00 10.00 H new ATOM 0 HD2 LYS A 45 7.988 4.046 3.584 1.00 10.00 H new ATOM 0 HD3 LYS A 45 8.431 4.713 2.025 1.00 10.00 H new ATOM 0 HE2 LYS A 45 7.491 6.866 2.572 1.00 10.00 H new ATOM 0 HE3 LYS A 45 6.689 6.232 3.995 1.00 10.00 H new ATOM 0 HZ1 LYS A 45 8.681 7.449 4.581 1.00 10.00 H new ATOM 0 HZ2 LYS A 45 8.858 5.813 4.998 1.00 10.00 H new ATOM 0 HZ3 LYS A 45 9.635 6.427 3.618 1.00 10.00 H new ATOM 495 N ALA A 46 2.223 4.297 4.341 1.00 10.00 N ATOM 496 CA ALA A 46 1.292 4.217 5.462 1.00 10.00 C ATOM 497 C ALA A 46 0.378 3.003 5.320 1.00 10.00 C ATOM 498 O ALA A 46 0.154 2.263 6.280 1.00 10.00 O ATOM 499 CB ALA A 46 0.474 5.494 5.566 1.00 10.00 C ATOM 0 H ALA A 46 2.162 5.161 3.803 1.00 10.00 H new ATOM 0 HA ALA A 46 1.869 4.102 6.379 1.00 10.00 H new ATOM 0 HB1 ALA A 46 -0.215 5.417 6.407 1.00 10.00 H new ATOM 0 HB2 ALA A 46 1.141 6.342 5.720 1.00 10.00 H new ATOM 0 HB3 ALA A 46 -0.092 5.640 4.646 1.00 10.00 H new ATOM 505 N TYR A 47 -0.136 2.799 4.112 1.00 10.00 N ATOM 506 CA TYR A 47 -1.011 1.668 3.836 1.00 10.00 C ATOM 507 C TYR A 47 -0.206 0.369 3.854 1.00 10.00 C ATOM 508 O TYR A 47 -0.691 -0.674 4.294 1.00 10.00 O ATOM 509 CB TYR A 47 -1.704 1.848 2.481 1.00 10.00 C ATOM 510 CG TYR A 47 -2.737 0.785 2.170 1.00 10.00 C ATOM 511 CD1 TYR A 47 -2.519 -0.153 1.168 1.00 10.00 C ATOM 512 CD2 TYR A 47 -3.929 0.721 2.881 1.00 10.00 C ATOM 513 CE1 TYR A 47 -3.461 -1.125 0.884 1.00 10.00 C ATOM 514 CE2 TYR A 47 -4.875 -0.249 2.600 1.00 10.00 C ATOM 515 CZ TYR A 47 -4.636 -1.168 1.601 1.00 10.00 C ATOM 516 OH TYR A 47 -5.576 -2.136 1.323 1.00 10.00 O ATOM 0 H TYR A 47 0.039 3.403 3.309 1.00 10.00 H new ATOM 0 HA TYR A 47 -1.777 1.618 4.610 1.00 10.00 H new ATOM 0 HB2 TYR A 47 -2.186 2.826 2.458 1.00 10.00 H new ATOM 0 HB3 TYR A 47 -0.949 1.846 1.695 1.00 10.00 H new ATOM 0 HD1 TYR A 47 -1.600 -0.122 0.602 1.00 10.00 H new ATOM 0 HD2 TYR A 47 -4.120 1.439 3.665 1.00 10.00 H new ATOM 0 HE1 TYR A 47 -3.276 -1.848 0.103 1.00 10.00 H new ATOM 0 HE2 TYR A 47 -5.797 -0.286 3.161 1.00 10.00 H new ATOM 0 HH TYR A 47 -6.345 -2.026 1.920 1.00 10.00 H new ATOM 526 N CYS A 48 1.037 0.455 3.387 1.00 10.00 N ATOM 527 CA CYS A 48 1.937 -0.692 3.345 1.00 10.00 C ATOM 528 C CYS A 48 2.166 -1.240 4.753 1.00 10.00 C ATOM 529 O CYS A 48 2.056 -2.448 4.987 1.00 10.00 O ATOM 530 CB CYS A 48 3.270 -0.281 2.711 1.00 10.00 C ATOM 531 SG CYS A 48 4.515 -1.588 2.671 1.00 10.00 S ATOM 0 H CYS A 48 1.446 1.318 3.029 1.00 10.00 H new ATOM 0 HA CYS A 48 1.483 -1.477 2.740 1.00 10.00 H new ATOM 0 HB2 CYS A 48 3.084 0.057 1.692 1.00 10.00 H new ATOM 0 HB3 CYS A 48 3.672 0.570 3.261 1.00 10.00 H new ATOM 0 HG CYS A 48 5.600 -1.137 2.115 1.00 10.00 H new ATOM 537 N GLU A 49 2.474 -0.342 5.683 1.00 10.00 N ATOM 538 CA GLU A 49 2.705 -0.710 7.074 1.00 10.00 C ATOM 539 C GLU A 49 1.440 -1.309 7.679 1.00 10.00 C ATOM 540 O GLU A 49 1.483 -2.318 8.381 1.00 10.00 O ATOM 541 CB GLU A 49 3.116 0.522 7.882 1.00 10.00 C ATOM 542 CG GLU A 49 4.452 1.110 7.469 1.00 10.00 C ATOM 543 CD GLU A 49 5.614 0.456 8.180 1.00 10.00 C ATOM 544 OE1 GLU A 49 6.003 0.951 9.260 1.00 10.00 O ATOM 545 OE2 GLU A 49 6.138 -0.552 7.665 1.00 10.00 O ATOM 0 H GLU A 49 2.570 0.656 5.495 1.00 10.00 H new ATOM 0 HA GLU A 49 3.505 -1.450 7.107 1.00 10.00 H new ATOM 0 HB2 GLU A 49 2.346 1.286 7.778 1.00 10.00 H new ATOM 0 HB3 GLU A 49 3.159 0.254 8.938 1.00 10.00 H new ATOM 0 HG2 GLU A 49 4.578 0.997 6.392 1.00 10.00 H new ATOM 0 HG3 GLU A 49 4.456 2.179 7.680 1.00 10.00 H new ATOM 552 N ARG A 50 0.318 -0.671 7.381 1.00 10.00 N ATOM 553 CA ARG A 50 -0.986 -1.096 7.878 1.00 10.00 C ATOM 554 C ARG A 50 -1.307 -2.527 7.462 1.00 10.00 C ATOM 555 O ARG A 50 -1.813 -3.314 8.258 1.00 10.00 O ATOM 556 CB ARG A 50 -2.053 -0.153 7.338 1.00 10.00 C ATOM 557 CG ARG A 50 -3.417 -0.312 7.980 1.00 10.00 C ATOM 558 CD ARG A 50 -4.080 1.032 8.120 1.00 10.00 C ATOM 559 NE ARG A 50 -3.428 1.834 9.146 1.00 10.00 N ATOM 560 CZ ARG A 50 -4.037 2.282 10.233 1.00 10.00 C ATOM 561 NH1 ARG A 50 -5.336 2.076 10.404 1.00 10.00 N ATOM 562 NH2 ARG A 50 -3.350 2.959 11.141 1.00 10.00 N ATOM 0 H ARG A 50 0.284 0.157 6.787 1.00 10.00 H new ATOM 0 HA ARG A 50 -0.967 -1.064 8.967 1.00 10.00 H new ATOM 0 HB2 ARG A 50 -1.717 0.874 7.479 1.00 10.00 H new ATOM 0 HB3 ARG A 50 -2.150 -0.312 6.264 1.00 10.00 H new ATOM 0 HG2 ARG A 50 -4.038 -0.972 7.374 1.00 10.00 H new ATOM 0 HG3 ARG A 50 -3.315 -0.780 8.959 1.00 10.00 H new ATOM 0 HD2 ARG A 50 -4.046 1.559 7.166 1.00 10.00 H new ATOM 0 HD3 ARG A 50 -5.132 0.898 8.373 1.00 10.00 H new ATOM 0 HE ARG A 50 -2.442 2.065 9.020 1.00 10.00 H new ATOM 0 HH11 ARG A 50 -5.870 1.571 9.697 1.00 10.00 H new ATOM 0 HH12 ARG A 50 -5.801 2.423 11.243 1.00 10.00 H new ATOM 0 HH21 ARG A 50 -2.355 3.134 11.002 1.00 10.00 H new ATOM 0 HH22 ARG A 50 -3.816 3.305 11.979 1.00 10.00 H new ATOM 576 N GLN A 51 -1.016 -2.851 6.211 1.00 10.00 N ATOM 577 CA GLN A 51 -1.280 -4.186 5.687 1.00 10.00 C ATOM 578 C GLN A 51 -0.203 -5.174 6.120 1.00 10.00 C ATOM 579 O GLN A 51 -0.458 -6.375 6.227 1.00 10.00 O ATOM 580 CB GLN A 51 -1.368 -4.142 4.161 1.00 10.00 C ATOM 581 CG GLN A 51 -2.752 -3.773 3.655 1.00 10.00 C ATOM 582 CD GLN A 51 -3.673 -4.975 3.568 1.00 10.00 C ATOM 583 OE1 GLN A 51 -4.266 -5.391 4.565 1.00 10.00 O ATOM 584 NE2 GLN A 51 -3.812 -5.531 2.374 1.00 10.00 N ATOM 0 H GLN A 51 -0.597 -2.209 5.538 1.00 10.00 H new ATOM 0 HA GLN A 51 -2.232 -4.526 6.094 1.00 10.00 H new ATOM 0 HB2 GLN A 51 -0.645 -3.420 3.782 1.00 10.00 H new ATOM 0 HB3 GLN A 51 -1.088 -5.115 3.759 1.00 10.00 H new ATOM 0 HG2 GLN A 51 -3.192 -3.028 4.318 1.00 10.00 H new ATOM 0 HG3 GLN A 51 -2.666 -3.312 2.671 1.00 10.00 H new ATOM 0 HE21 GLN A 51 -3.303 -5.155 1.574 1.00 10.00 H new ATOM 0 HE22 GLN A 51 -4.429 -6.335 2.254 1.00 10.00 H new ATOM 593 N GLY A 52 0.995 -4.660 6.369 1.00 10.00 N ATOM 594 CA GLY A 52 2.095 -5.512 6.776 1.00 10.00 C ATOM 595 C GLY A 52 2.717 -6.219 5.590 1.00 10.00 C ATOM 596 O GLY A 52 3.097 -7.387 5.678 1.00 10.00 O ATOM 0 H GLY A 52 1.224 -3.669 6.296 1.00 10.00 H new ATOM 0 HA2 GLY A 52 2.852 -4.913 7.282 1.00 10.00 H new ATOM 0 HA3 GLY A 52 1.739 -6.250 7.495 1.00 10.00 H new ATOM 600 N LEU A 53 2.809 -5.505 4.478 1.00 10.00 N ATOM 601 CA LEU A 53 3.376 -6.052 3.255 1.00 10.00 C ATOM 602 C LEU A 53 4.559 -5.202 2.804 1.00 10.00 C ATOM 603 O LEU A 53 5.311 -4.697 3.635 1.00 10.00 O ATOM 604 CB LEU A 53 2.307 -6.110 2.158 1.00 10.00 C ATOM 605 CG LEU A 53 1.111 -7.019 2.458 1.00 10.00 C ATOM 606 CD1 LEU A 53 0.015 -6.817 1.424 1.00 10.00 C ATOM 607 CD2 LEU A 53 1.545 -8.477 2.497 1.00 10.00 C ATOM 0 H LEU A 53 2.495 -4.538 4.398 1.00 10.00 H new ATOM 0 HA LEU A 53 3.728 -7.065 3.448 1.00 10.00 H new ATOM 0 HB2 LEU A 53 1.939 -5.100 1.978 1.00 10.00 H new ATOM 0 HB3 LEU A 53 2.776 -6.447 1.234 1.00 10.00 H new ATOM 0 HG LEU A 53 0.714 -6.752 3.437 1.00 10.00 H new ATOM 0 HD11 LEU A 53 -0.826 -7.471 1.653 1.00 10.00 H new ATOM 0 HD12 LEU A 53 -0.316 -5.779 1.443 1.00 10.00 H new ATOM 0 HD13 LEU A 53 0.401 -7.056 0.433 1.00 10.00 H new ATOM 0 HD21 LEU A 53 0.682 -9.108 2.711 1.00 10.00 H new ATOM 0 HD22 LEU A 53 1.968 -8.757 1.532 1.00 10.00 H new ATOM 0 HD23 LEU A 53 2.296 -8.612 3.275 1.00 10.00 H new ATOM 619 N SER A 54 4.724 -5.049 1.496 1.00 10.00 N ATOM 620 CA SER A 54 5.813 -4.256 0.951 1.00 10.00 C ATOM 621 C SER A 54 5.300 -3.371 -0.177 1.00 10.00 C ATOM 622 O SER A 54 4.421 -3.779 -0.941 1.00 10.00 O ATOM 623 CB SER A 54 6.926 -5.173 0.437 1.00 10.00 C ATOM 624 OG SER A 54 8.007 -4.425 -0.095 1.00 10.00 O ATOM 0 H SER A 54 4.114 -5.466 0.793 1.00 10.00 H new ATOM 0 HA SER A 54 6.217 -3.622 1.740 1.00 10.00 H new ATOM 0 HB2 SER A 54 7.284 -5.805 1.250 1.00 10.00 H new ATOM 0 HB3 SER A 54 6.528 -5.836 -0.331 1.00 10.00 H new ATOM 0 HG SER A 54 8.703 -5.037 -0.414 1.00 10.00 H new ATOM 630 N MET A 55 5.854 -2.167 -0.283 1.00 10.00 N ATOM 631 CA MET A 55 5.449 -1.226 -1.323 1.00 10.00 C ATOM 632 C MET A 55 5.905 -1.724 -2.691 1.00 10.00 C ATOM 633 O MET A 55 5.443 -1.255 -3.729 1.00 10.00 O ATOM 634 CB MET A 55 6.026 0.164 -1.039 1.00 10.00 C ATOM 635 CG MET A 55 5.349 1.282 -1.820 1.00 10.00 C ATOM 636 SD MET A 55 5.992 2.916 -1.404 1.00 10.00 S ATOM 637 CE MET A 55 7.673 2.787 -2.014 1.00 10.00 C ATOM 0 H MET A 55 6.585 -1.820 0.338 1.00 10.00 H new ATOM 0 HA MET A 55 4.361 -1.154 -1.324 1.00 10.00 H new ATOM 0 HB2 MET A 55 5.937 0.373 0.027 1.00 10.00 H new ATOM 0 HB3 MET A 55 7.090 0.161 -1.276 1.00 10.00 H new ATOM 0 HG2 MET A 55 5.482 1.105 -2.887 1.00 10.00 H new ATOM 0 HG3 MET A 55 4.277 1.258 -1.624 1.00 10.00 H new ATOM 0 HE1 MET A 55 8.109 3.783 -2.093 1.00 10.00 H new ATOM 0 HE2 MET A 55 8.265 2.185 -1.324 1.00 10.00 H new ATOM 0 HE3 MET A 55 7.668 2.314 -2.996 1.00 10.00 H new ATOM 647 N ARG A 56 6.810 -2.693 -2.682 1.00 10.00 N ATOM 648 CA ARG A 56 7.326 -3.278 -3.909 1.00 10.00 C ATOM 649 C ARG A 56 6.371 -4.358 -4.417 1.00 10.00 C ATOM 650 O ARG A 56 6.493 -4.840 -5.540 1.00 10.00 O ATOM 651 CB ARG A 56 8.717 -3.869 -3.658 1.00 10.00 C ATOM 652 CG ARG A 56 9.465 -4.247 -4.926 1.00 10.00 C ATOM 653 CD ARG A 56 10.952 -4.416 -4.664 1.00 10.00 C ATOM 654 NE ARG A 56 11.721 -4.559 -5.902 1.00 10.00 N ATOM 655 CZ ARG A 56 11.969 -3.558 -6.752 1.00 10.00 C ATOM 656 NH1 ARG A 56 11.495 -2.338 -6.513 1.00 10.00 N ATOM 657 NH2 ARG A 56 12.693 -3.779 -7.843 1.00 10.00 N ATOM 0 H ARG A 56 7.204 -3.092 -1.830 1.00 10.00 H new ATOM 0 HA ARG A 56 7.407 -2.501 -4.669 1.00 10.00 H new ATOM 0 HB2 ARG A 56 9.312 -3.147 -3.099 1.00 10.00 H new ATOM 0 HB3 ARG A 56 8.617 -4.754 -3.030 1.00 10.00 H new ATOM 0 HG2 ARG A 56 9.057 -5.175 -5.328 1.00 10.00 H new ATOM 0 HG3 ARG A 56 9.313 -3.478 -5.683 1.00 10.00 H new ATOM 0 HD2 ARG A 56 11.321 -3.555 -4.107 1.00 10.00 H new ATOM 0 HD3 ARG A 56 11.111 -5.293 -4.037 1.00 10.00 H new ATOM 0 HE ARG A 56 12.091 -5.482 -6.130 1.00 10.00 H new ATOM 0 HH11 ARG A 56 10.938 -2.162 -5.677 1.00 10.00 H new ATOM 0 HH12 ARG A 56 11.688 -1.579 -7.166 1.00 10.00 H new ATOM 0 HH21 ARG A 56 13.059 -4.712 -8.032 1.00 10.00 H new ATOM 0 HH22 ARG A 56 12.883 -3.016 -8.492 1.00 10.00 H new ATOM 671 N GLN A 57 5.406 -4.709 -3.576 1.00 10.00 N ATOM 672 CA GLN A 57 4.430 -5.739 -3.906 1.00 10.00 C ATOM 673 C GLN A 57 3.098 -5.130 -4.351 1.00 10.00 C ATOM 674 O GLN A 57 2.411 -5.676 -5.214 1.00 10.00 O ATOM 675 CB GLN A 57 4.215 -6.633 -2.683 1.00 10.00 C ATOM 676 CG GLN A 57 3.221 -7.762 -2.898 1.00 10.00 C ATOM 677 CD GLN A 57 2.758 -8.369 -1.588 1.00 10.00 C ATOM 678 OE1 GLN A 57 3.481 -8.354 -0.592 1.00 10.00 O ATOM 679 NE2 GLN A 57 1.548 -8.904 -1.580 1.00 10.00 N ATOM 0 H GLN A 57 5.279 -4.292 -2.654 1.00 10.00 H new ATOM 0 HA GLN A 57 4.816 -6.328 -4.738 1.00 10.00 H new ATOM 0 HB2 GLN A 57 5.173 -7.060 -2.387 1.00 10.00 H new ATOM 0 HB3 GLN A 57 3.871 -6.016 -1.853 1.00 10.00 H new ATOM 0 HG2 GLN A 57 2.358 -7.386 -3.448 1.00 10.00 H new ATOM 0 HG3 GLN A 57 3.679 -8.536 -3.514 1.00 10.00 H new ATOM 0 HE21 GLN A 57 0.981 -8.895 -2.428 1.00 10.00 H new ATOM 0 HE22 GLN A 57 1.182 -9.325 -0.726 1.00 10.00 H new ATOM 688 N ILE A 58 2.742 -3.997 -3.760 1.00 10.00 N ATOM 689 CA ILE A 58 1.488 -3.330 -4.086 1.00 10.00 C ATOM 690 C ILE A 58 1.682 -2.253 -5.148 1.00 10.00 C ATOM 691 O ILE A 58 2.783 -1.731 -5.338 1.00 10.00 O ATOM 692 CB ILE A 58 0.835 -2.708 -2.832 1.00 10.00 C ATOM 693 CG1 ILE A 58 1.868 -1.924 -2.012 1.00 10.00 C ATOM 694 CG2 ILE A 58 0.184 -3.796 -1.986 1.00 10.00 C ATOM 695 CD1 ILE A 58 1.333 -1.386 -0.701 1.00 10.00 C ATOM 0 H ILE A 58 3.303 -3.521 -3.053 1.00 10.00 H new ATOM 0 HA ILE A 58 0.823 -4.096 -4.485 1.00 10.00 H new ATOM 0 HB ILE A 58 0.063 -2.009 -3.153 1.00 10.00 H new ATOM 0 HG12 ILE A 58 2.721 -2.571 -1.807 1.00 10.00 H new ATOM 0 HG13 ILE A 58 2.237 -1.092 -2.611 1.00 10.00 H new ATOM 0 HG21 ILE A 58 -0.273 -3.347 -1.104 1.00 10.00 H new ATOM 0 HG22 ILE A 58 -0.581 -4.304 -2.573 1.00 10.00 H new ATOM 0 HG23 ILE A 58 0.940 -4.516 -1.675 1.00 10.00 H new ATOM 0 HD11 ILE A 58 2.123 -0.844 -0.180 1.00 10.00 H new ATOM 0 HD12 ILE A 58 0.499 -0.712 -0.897 1.00 10.00 H new ATOM 0 HD13 ILE A 58 0.991 -2.214 -0.080 1.00 10.00 H new ATOM 707 N ARG A 59 0.606 -1.941 -5.854 1.00 10.00 N ATOM 708 CA ARG A 59 0.628 -0.930 -6.903 1.00 10.00 C ATOM 709 C ARG A 59 -0.473 0.091 -6.652 1.00 10.00 C ATOM 710 O ARG A 59 -1.592 -0.276 -6.307 1.00 10.00 O ATOM 711 CB ARG A 59 0.432 -1.582 -8.275 1.00 10.00 C ATOM 712 CG ARG A 59 1.524 -2.572 -8.651 1.00 10.00 C ATOM 713 CD ARG A 59 2.874 -1.885 -8.782 1.00 10.00 C ATOM 714 NE ARG A 59 3.964 -2.834 -8.999 1.00 10.00 N ATOM 715 CZ ARG A 59 5.008 -2.976 -8.177 1.00 10.00 C ATOM 716 NH1 ARG A 59 5.037 -2.340 -7.011 1.00 10.00 N ATOM 717 NH2 ARG A 59 6.006 -3.787 -8.510 1.00 10.00 N ATOM 0 H ARG A 59 -0.305 -2.379 -5.718 1.00 10.00 H new ATOM 0 HA ARG A 59 1.596 -0.429 -6.891 1.00 10.00 H new ATOM 0 HB2 ARG A 59 -0.530 -2.095 -8.288 1.00 10.00 H new ATOM 0 HB3 ARG A 59 0.387 -0.801 -9.034 1.00 10.00 H new ATOM 0 HG2 ARG A 59 1.584 -3.354 -7.895 1.00 10.00 H new ATOM 0 HG3 ARG A 59 1.268 -3.058 -9.593 1.00 10.00 H new ATOM 0 HD2 ARG A 59 2.840 -1.179 -9.612 1.00 10.00 H new ATOM 0 HD3 ARG A 59 3.073 -1.307 -7.880 1.00 10.00 H new ATOM 0 HE ARG A 59 3.925 -3.425 -9.830 1.00 10.00 H new ATOM 0 HH11 ARG A 59 4.259 -1.739 -6.738 1.00 10.00 H new ATOM 0 HH12 ARG A 59 5.837 -2.453 -6.388 1.00 10.00 H new ATOM 0 HH21 ARG A 59 5.974 -4.300 -9.391 1.00 10.00 H new ATOM 0 HH22 ARG A 59 6.804 -3.897 -7.884 1.00 10.00 H new ATOM 731 N PHE A 60 -0.162 1.368 -6.823 1.00 10.00 N ATOM 732 CA PHE A 60 -1.143 2.423 -6.589 1.00 10.00 C ATOM 733 C PHE A 60 -1.502 3.146 -7.883 1.00 10.00 C ATOM 734 O PHE A 60 -0.638 3.404 -8.724 1.00 10.00 O ATOM 735 CB PHE A 60 -0.614 3.432 -5.566 1.00 10.00 C ATOM 736 CG PHE A 60 -0.640 2.932 -4.150 1.00 10.00 C ATOM 737 CD1 PHE A 60 0.271 1.982 -3.718 1.00 10.00 C ATOM 738 CD2 PHE A 60 -1.574 3.420 -3.251 1.00 10.00 C ATOM 739 CE1 PHE A 60 0.248 1.526 -2.417 1.00 10.00 C ATOM 740 CE2 PHE A 60 -1.600 2.966 -1.947 1.00 10.00 C ATOM 741 CZ PHE A 60 -0.688 2.018 -1.528 1.00 10.00 C ATOM 0 H PHE A 60 0.755 1.699 -7.121 1.00 10.00 H new ATOM 0 HA PHE A 60 -2.044 1.951 -6.197 1.00 10.00 H new ATOM 0 HB2 PHE A 60 0.410 3.698 -5.828 1.00 10.00 H new ATOM 0 HB3 PHE A 60 -1.207 4.344 -5.630 1.00 10.00 H new ATOM 0 HD1 PHE A 60 1.007 1.595 -4.407 1.00 10.00 H new ATOM 0 HD2 PHE A 60 -2.289 4.163 -3.573 1.00 10.00 H new ATOM 0 HE1 PHE A 60 0.962 0.784 -2.093 1.00 10.00 H new ATOM 0 HE2 PHE A 60 -2.334 3.353 -1.255 1.00 10.00 H new ATOM 0 HZ PHE A 60 -0.706 1.662 -0.508 1.00 10.00 H new ATOM 751 N ARG A 61 -2.780 3.472 -8.034 1.00 10.00 N ATOM 752 CA ARG A 61 -3.269 4.169 -9.215 1.00 10.00 C ATOM 753 C ARG A 61 -4.146 5.346 -8.819 1.00 10.00 C ATOM 754 O ARG A 61 -4.893 5.274 -7.841 1.00 10.00 O ATOM 755 CB ARG A 61 -4.087 3.229 -10.104 1.00 10.00 C ATOM 756 CG ARG A 61 -3.279 2.493 -11.159 1.00 10.00 C ATOM 757 CD ARG A 61 -4.157 2.087 -12.334 1.00 10.00 C ATOM 758 NE ARG A 61 -3.696 0.854 -12.973 1.00 10.00 N ATOM 759 CZ ARG A 61 -3.149 0.796 -14.188 1.00 10.00 C ATOM 760 NH1 ARG A 61 -3.016 1.897 -14.923 1.00 10.00 N ATOM 761 NH2 ARG A 61 -2.753 -0.372 -14.679 1.00 10.00 N ATOM 0 H ARG A 61 -3.502 3.262 -7.345 1.00 10.00 H new ATOM 0 HA ARG A 61 -2.399 4.527 -9.766 1.00 10.00 H new ATOM 0 HB2 ARG A 61 -4.587 2.496 -9.471 1.00 10.00 H new ATOM 0 HB3 ARG A 61 -4.867 3.807 -10.600 1.00 10.00 H new ATOM 0 HG2 ARG A 61 -2.467 3.130 -11.510 1.00 10.00 H new ATOM 0 HG3 ARG A 61 -2.821 1.607 -10.719 1.00 10.00 H new ATOM 0 HD2 ARG A 61 -5.182 1.953 -11.989 1.00 10.00 H new ATOM 0 HD3 ARG A 61 -4.170 2.891 -13.069 1.00 10.00 H new ATOM 0 HE ARG A 61 -3.800 -0.019 -12.455 1.00 10.00 H new ATOM 0 HH11 ARG A 61 -3.334 2.795 -14.558 1.00 10.00 H new ATOM 0 HH12 ARG A 61 -2.596 1.843 -15.851 1.00 10.00 H new ATOM 0 HH21 ARG A 61 -2.867 -1.222 -14.127 1.00 10.00 H new ATOM 0 HH22 ARG A 61 -2.334 -0.419 -15.608 1.00 10.00 H new ATOM 775 N PHE A 62 -4.040 6.427 -9.572 1.00 10.00 N ATOM 776 CA PHE A 62 -4.846 7.610 -9.331 1.00 10.00 C ATOM 777 C PHE A 62 -5.417 8.101 -10.646 1.00 10.00 C ATOM 778 O PHE A 62 -4.661 8.424 -11.568 1.00 10.00 O ATOM 779 CB PHE A 62 -4.037 8.733 -8.676 1.00 10.00 C ATOM 780 CG PHE A 62 -4.744 10.063 -8.724 1.00 10.00 C ATOM 781 CD1 PHE A 62 -5.824 10.321 -7.891 1.00 10.00 C ATOM 782 CD2 PHE A 62 -4.347 11.046 -9.620 1.00 10.00 C ATOM 783 CE1 PHE A 62 -6.494 11.530 -7.954 1.00 10.00 C ATOM 784 CE2 PHE A 62 -5.009 12.258 -9.682 1.00 10.00 C ATOM 785 CZ PHE A 62 -6.084 12.499 -8.850 1.00 10.00 C ATOM 0 H PHE A 62 -3.399 6.509 -10.361 1.00 10.00 H new ATOM 0 HA PHE A 62 -5.647 7.335 -8.644 1.00 10.00 H new ATOM 0 HB2 PHE A 62 -3.834 8.471 -7.638 1.00 10.00 H new ATOM 0 HB3 PHE A 62 -3.073 8.820 -9.177 1.00 10.00 H new ATOM 0 HD1 PHE A 62 -6.145 9.569 -7.185 1.00 10.00 H new ATOM 0 HD2 PHE A 62 -3.510 10.862 -10.277 1.00 10.00 H new ATOM 0 HE1 PHE A 62 -7.336 11.716 -7.304 1.00 10.00 H new ATOM 0 HE2 PHE A 62 -4.686 13.016 -10.381 1.00 10.00 H new ATOM 0 HZ PHE A 62 -6.604 13.444 -8.899 1.00 10.00 H new ATOM 795 N ASP A 63 -6.745 8.122 -10.734 1.00 10.00 N ATOM 796 CA ASP A 63 -7.464 8.584 -11.926 1.00 10.00 C ATOM 797 C ASP A 63 -7.337 7.582 -13.080 1.00 10.00 C ATOM 798 O ASP A 63 -8.313 7.287 -13.774 1.00 10.00 O ATOM 799 CB ASP A 63 -6.963 9.973 -12.350 1.00 10.00 C ATOM 800 CG ASP A 63 -7.692 10.530 -13.554 1.00 10.00 C ATOM 801 OD1 ASP A 63 -8.693 11.253 -13.368 1.00 10.00 O ATOM 802 OD2 ASP A 63 -7.252 10.269 -14.690 1.00 10.00 O ATOM 0 H ASP A 63 -7.359 7.818 -9.978 1.00 10.00 H new ATOM 0 HA ASP A 63 -8.521 8.660 -11.672 1.00 10.00 H new ATOM 0 HB2 ASP A 63 -7.076 10.663 -11.514 1.00 10.00 H new ATOM 0 HB3 ASP A 63 -5.898 9.915 -12.574 1.00 10.00 H new ATOM 807 N GLY A 64 -6.133 7.067 -13.271 1.00 10.00 N ATOM 808 CA GLY A 64 -5.870 6.108 -14.321 1.00 10.00 C ATOM 809 C GLY A 64 -4.401 5.743 -14.375 1.00 10.00 C ATOM 810 O GLY A 64 -4.038 4.566 -14.457 1.00 10.00 O ATOM 0 H GLY A 64 -5.318 7.303 -12.704 1.00 10.00 H new ATOM 0 HA2 GLY A 64 -6.465 5.210 -14.154 1.00 10.00 H new ATOM 0 HA3 GLY A 64 -6.180 6.522 -15.281 1.00 10.00 H new ATOM 814 N GLN A 65 -3.558 6.764 -14.316 1.00 10.00 N ATOM 815 CA GLN A 65 -2.111 6.582 -14.346 1.00 10.00 C ATOM 816 C GLN A 65 -1.594 6.157 -12.971 1.00 10.00 C ATOM 817 O GLN A 65 -2.229 6.441 -11.948 1.00 10.00 O ATOM 818 CB GLN A 65 -1.425 7.885 -14.772 1.00 10.00 C ATOM 819 CG GLN A 65 -1.678 8.280 -16.219 1.00 10.00 C ATOM 820 CD GLN A 65 -0.786 7.539 -17.201 1.00 10.00 C ATOM 821 OE1 GLN A 65 -0.433 6.380 -16.987 1.00 10.00 O ATOM 822 NE2 GLN A 65 -0.409 8.206 -18.280 1.00 10.00 N ATOM 0 H GLN A 65 -3.854 7.738 -14.246 1.00 10.00 H new ATOM 0 HA GLN A 65 -1.879 5.799 -15.068 1.00 10.00 H new ATOM 0 HB2 GLN A 65 -1.766 8.691 -14.122 1.00 10.00 H new ATOM 0 HB3 GLN A 65 -0.351 7.784 -14.617 1.00 10.00 H new ATOM 0 HG2 GLN A 65 -2.722 8.085 -16.466 1.00 10.00 H new ATOM 0 HG3 GLN A 65 -1.519 9.353 -16.330 1.00 10.00 H new ATOM 0 HE21 GLN A 65 -0.723 9.166 -18.422 1.00 10.00 H new ATOM 0 HE22 GLN A 65 0.196 7.760 -18.970 1.00 10.00 H new ATOM 831 N PRO A 66 -0.455 5.444 -12.929 1.00 10.00 N ATOM 832 CA PRO A 66 0.155 5.007 -11.670 1.00 10.00 C ATOM 833 C PRO A 66 0.782 6.183 -10.918 1.00 10.00 C ATOM 834 O PRO A 66 1.261 7.140 -11.531 1.00 10.00 O ATOM 835 CB PRO A 66 1.227 4.009 -12.119 1.00 10.00 C ATOM 836 CG PRO A 66 1.573 4.418 -13.507 1.00 10.00 C ATOM 837 CD PRO A 66 0.317 4.991 -14.104 1.00 10.00 C ATOM 0 HA PRO A 66 -0.569 4.573 -10.980 1.00 10.00 H new ATOM 0 HB2 PRO A 66 2.100 4.046 -11.467 1.00 10.00 H new ATOM 0 HB3 PRO A 66 0.851 2.986 -12.090 1.00 10.00 H new ATOM 0 HG2 PRO A 66 2.375 5.156 -13.506 1.00 10.00 H new ATOM 0 HG3 PRO A 66 1.925 3.565 -14.087 1.00 10.00 H new ATOM 0 HD2 PRO A 66 0.536 5.816 -14.781 1.00 10.00 H new ATOM 0 HD3 PRO A 66 -0.230 4.244 -14.679 1.00 10.00 H new ATOM 845 N ILE A 67 0.774 6.105 -9.597 1.00 10.00 N ATOM 846 CA ILE A 67 1.327 7.165 -8.765 1.00 10.00 C ATOM 847 C ILE A 67 2.843 7.035 -8.643 1.00 10.00 C ATOM 848 O ILE A 67 3.377 5.926 -8.552 1.00 10.00 O ATOM 849 CB ILE A 67 0.694 7.149 -7.353 1.00 10.00 C ATOM 850 CG1 ILE A 67 -0.833 7.199 -7.454 1.00 10.00 C ATOM 851 CG2 ILE A 67 1.209 8.313 -6.515 1.00 10.00 C ATOM 852 CD1 ILE A 67 -1.537 7.182 -6.111 1.00 10.00 C ATOM 0 H ILE A 67 0.390 5.317 -9.075 1.00 10.00 H new ATOM 0 HA ILE A 67 1.092 8.112 -9.250 1.00 10.00 H new ATOM 0 HB ILE A 67 0.982 6.221 -6.860 1.00 10.00 H new ATOM 0 HG12 ILE A 67 -1.123 8.101 -7.994 1.00 10.00 H new ATOM 0 HG13 ILE A 67 -1.177 6.350 -8.044 1.00 10.00 H new ATOM 0 HG21 ILE A 67 0.750 8.281 -5.527 1.00 10.00 H new ATOM 0 HG22 ILE A 67 2.292 8.238 -6.415 1.00 10.00 H new ATOM 0 HG23 ILE A 67 0.954 9.254 -7.003 1.00 10.00 H new ATOM 0 HD11 ILE A 67 -2.615 7.220 -6.265 1.00 10.00 H new ATOM 0 HD12 ILE A 67 -1.279 6.268 -5.576 1.00 10.00 H new ATOM 0 HD13 ILE A 67 -1.224 8.046 -5.525 1.00 10.00 H new ATOM 864 N ASN A 68 3.532 8.169 -8.659 1.00 10.00 N ATOM 865 CA ASN A 68 4.981 8.189 -8.539 1.00 10.00 C ATOM 866 C ASN A 68 5.379 8.471 -7.093 1.00 10.00 C ATOM 867 O ASN A 68 4.578 8.979 -6.305 1.00 10.00 O ATOM 868 CB ASN A 68 5.585 9.249 -9.469 1.00 10.00 C ATOM 869 CG ASN A 68 5.214 9.034 -10.926 1.00 10.00 C ATOM 870 OD1 ASN A 68 5.915 8.339 -11.665 1.00 10.00 O ATOM 871 ND2 ASN A 68 4.109 9.625 -11.347 1.00 10.00 N ATOM 0 H ASN A 68 3.106 9.091 -8.755 1.00 10.00 H new ATOM 0 HA ASN A 68 5.368 7.213 -8.832 1.00 10.00 H new ATOM 0 HB2 ASN A 68 5.247 10.236 -9.155 1.00 10.00 H new ATOM 0 HB3 ASN A 68 6.670 9.237 -9.370 1.00 10.00 H new ATOM 0 HD21 ASN A 68 3.808 9.514 -12.315 1.00 10.00 H new ATOM 0 HD22 ASN A 68 3.557 10.192 -10.703 1.00 10.00 H new ATOM 878 N GLU A 69 6.621 8.157 -6.745 1.00 10.00 N ATOM 879 CA GLU A 69 7.111 8.372 -5.386 1.00 10.00 C ATOM 880 C GLU A 69 7.377 9.853 -5.122 1.00 10.00 C ATOM 881 O GLU A 69 7.639 10.253 -3.989 1.00 10.00 O ATOM 882 CB GLU A 69 8.392 7.567 -5.155 1.00 10.00 C ATOM 883 CG GLU A 69 8.195 6.062 -5.242 1.00 10.00 C ATOM 884 CD GLU A 69 9.507 5.312 -5.363 1.00 10.00 C ATOM 885 OE1 GLU A 69 10.050 4.875 -4.324 1.00 10.00 O ATOM 886 OE2 GLU A 69 10.004 5.163 -6.501 1.00 10.00 O ATOM 0 H GLU A 69 7.307 7.753 -7.383 1.00 10.00 H new ATOM 0 HA GLU A 69 6.340 8.034 -4.694 1.00 10.00 H new ATOM 0 HB2 GLU A 69 9.138 7.870 -5.890 1.00 10.00 H new ATOM 0 HB3 GLU A 69 8.794 7.815 -4.173 1.00 10.00 H new ATOM 0 HG2 GLU A 69 7.663 5.716 -4.356 1.00 10.00 H new ATOM 0 HG3 GLU A 69 7.567 5.830 -6.102 1.00 10.00 H new ATOM 893 N THR A 70 7.305 10.654 -6.170 1.00 10.00 N ATOM 894 CA THR A 70 7.544 12.085 -6.062 1.00 10.00 C ATOM 895 C THR A 70 6.247 12.882 -6.192 1.00 10.00 C ATOM 896 O THR A 70 6.254 14.114 -6.154 1.00 10.00 O ATOM 897 CB THR A 70 8.519 12.529 -7.162 1.00 10.00 C ATOM 898 OG1 THR A 70 8.536 11.536 -8.200 1.00 10.00 O ATOM 899 CG2 THR A 70 9.924 12.717 -6.607 1.00 10.00 C ATOM 0 H THR A 70 7.081 10.336 -7.113 1.00 10.00 H new ATOM 0 HA THR A 70 7.969 12.279 -5.077 1.00 10.00 H new ATOM 0 HB THR A 70 8.184 13.486 -7.562 1.00 10.00 H new ATOM 0 HG1 THR A 70 9.155 11.813 -8.907 1.00 10.00 H new ATOM 0 HG21 THR A 70 10.593 13.031 -7.408 1.00 10.00 H new ATOM 0 HG22 THR A 70 9.908 13.479 -5.828 1.00 10.00 H new ATOM 0 HG23 THR A 70 10.278 11.776 -6.187 1.00 10.00 H new ATOM 907 N ASP A 71 5.134 12.172 -6.320 1.00 10.00 N ATOM 908 CA ASP A 71 3.832 12.812 -6.485 1.00 10.00 C ATOM 909 C ASP A 71 3.253 13.306 -5.164 1.00 10.00 C ATOM 910 O ASP A 71 3.572 12.790 -4.087 1.00 10.00 O ATOM 911 CB ASP A 71 2.839 11.851 -7.141 1.00 10.00 C ATOM 912 CG ASP A 71 2.889 11.894 -8.653 1.00 10.00 C ATOM 913 OD1 ASP A 71 2.939 13.006 -9.215 1.00 10.00 O ATOM 914 OD2 ASP A 71 2.871 10.810 -9.279 1.00 10.00 O ATOM 0 H ASP A 71 5.105 11.152 -6.313 1.00 10.00 H new ATOM 0 HA ASP A 71 3.992 13.678 -7.127 1.00 10.00 H new ATOM 0 HB2 ASP A 71 3.047 10.835 -6.804 1.00 10.00 H new ATOM 0 HB3 ASP A 71 1.830 12.096 -6.809 1.00 10.00 H new ATOM 919 N THR A 72 2.399 14.310 -5.268 1.00 10.00 N ATOM 920 CA THR A 72 1.723 14.899 -4.124 1.00 10.00 C ATOM 921 C THR A 72 0.268 15.167 -4.493 1.00 10.00 C ATOM 922 O THR A 72 -0.056 15.265 -5.682 1.00 10.00 O ATOM 923 CB THR A 72 2.386 16.229 -3.689 1.00 10.00 C ATOM 924 OG1 THR A 72 2.651 17.045 -4.837 1.00 10.00 O ATOM 925 CG2 THR A 72 3.679 15.983 -2.924 1.00 10.00 C ATOM 0 H THR A 72 2.153 14.744 -6.158 1.00 10.00 H new ATOM 0 HA THR A 72 1.791 14.199 -3.292 1.00 10.00 H new ATOM 0 HB THR A 72 1.692 16.745 -3.026 1.00 10.00 H new ATOM 0 HG1 THR A 72 3.069 17.885 -4.552 1.00 10.00 H new ATOM 0 HG21 THR A 72 4.118 16.938 -2.634 1.00 10.00 H new ATOM 0 HG22 THR A 72 3.467 15.395 -2.031 1.00 10.00 H new ATOM 0 HG23 THR A 72 4.379 15.440 -3.558 1.00 10.00 H new ATOM 933 N PRO A 73 -0.634 15.274 -3.506 1.00 10.00 N ATOM 934 CA PRO A 73 -2.048 15.548 -3.772 1.00 10.00 C ATOM 935 C PRO A 73 -2.218 16.841 -4.561 1.00 10.00 C ATOM 936 O PRO A 73 -3.125 16.974 -5.385 1.00 10.00 O ATOM 937 CB PRO A 73 -2.663 15.685 -2.376 1.00 10.00 C ATOM 938 CG PRO A 73 -1.731 14.957 -1.470 1.00 10.00 C ATOM 939 CD PRO A 73 -0.362 15.123 -2.067 1.00 10.00 C ATOM 0 HA PRO A 73 -2.518 14.768 -4.370 1.00 10.00 H new ATOM 0 HB2 PRO A 73 -2.757 16.732 -2.087 1.00 10.00 H new ATOM 0 HB3 PRO A 73 -3.664 15.254 -2.342 1.00 10.00 H new ATOM 0 HG2 PRO A 73 -1.769 15.366 -0.460 1.00 10.00 H new ATOM 0 HG3 PRO A 73 -2.000 13.903 -1.398 1.00 10.00 H new ATOM 0 HD2 PRO A 73 0.150 15.995 -1.661 1.00 10.00 H new ATOM 0 HD3 PRO A 73 0.272 14.259 -1.866 1.00 10.00 H new ATOM 947 N ALA A 74 -1.326 17.790 -4.305 1.00 10.00 N ATOM 948 CA ALA A 74 -1.354 19.069 -4.990 1.00 10.00 C ATOM 949 C ALA A 74 -0.830 18.943 -6.418 1.00 10.00 C ATOM 950 O ALA A 74 -1.375 19.548 -7.336 1.00 10.00 O ATOM 951 CB ALA A 74 -0.544 20.097 -4.217 1.00 10.00 C ATOM 0 H ALA A 74 -0.572 17.694 -3.624 1.00 10.00 H new ATOM 0 HA ALA A 74 -2.391 19.402 -5.042 1.00 10.00 H new ATOM 0 HB1 ALA A 74 -0.573 21.052 -4.741 1.00 10.00 H new ATOM 0 HB2 ALA A 74 -0.966 20.218 -3.219 1.00 10.00 H new ATOM 0 HB3 ALA A 74 0.489 19.759 -4.135 1.00 10.00 H new ATOM 957 N GLN A 75 0.219 18.147 -6.605 1.00 10.00 N ATOM 958 CA GLN A 75 0.808 17.960 -7.929 1.00 10.00 C ATOM 959 C GLN A 75 -0.187 17.333 -8.898 1.00 10.00 C ATOM 960 O GLN A 75 -0.270 17.728 -10.058 1.00 10.00 O ATOM 961 CB GLN A 75 2.060 17.085 -7.839 1.00 10.00 C ATOM 962 CG GLN A 75 2.820 16.975 -9.148 1.00 10.00 C ATOM 963 CD GLN A 75 3.336 18.313 -9.637 1.00 10.00 C ATOM 964 OE1 GLN A 75 3.704 19.182 -8.843 1.00 10.00 O ATOM 965 NE2 GLN A 75 3.355 18.492 -10.946 1.00 10.00 N ATOM 0 H GLN A 75 0.678 17.623 -5.860 1.00 10.00 H new ATOM 0 HA GLN A 75 1.082 18.945 -8.308 1.00 10.00 H new ATOM 0 HB2 GLN A 75 2.724 17.492 -7.076 1.00 10.00 H new ATOM 0 HB3 GLN A 75 1.772 16.086 -7.511 1.00 10.00 H new ATOM 0 HG2 GLN A 75 3.659 16.291 -9.020 1.00 10.00 H new ATOM 0 HG3 GLN A 75 2.168 16.542 -9.907 1.00 10.00 H new ATOM 0 HE21 GLN A 75 3.042 17.746 -11.567 1.00 10.00 H new ATOM 0 HE22 GLN A 75 3.683 19.376 -11.335 1.00 10.00 H new ATOM 974 N LEU A 76 -0.950 16.365 -8.414 1.00 10.00 N ATOM 975 CA LEU A 76 -1.930 15.683 -9.247 1.00 10.00 C ATOM 976 C LEU A 76 -3.271 16.415 -9.246 1.00 10.00 C ATOM 977 O LEU A 76 -4.237 15.950 -9.855 1.00 10.00 O ATOM 978 CB LEU A 76 -2.115 14.242 -8.772 1.00 10.00 C ATOM 979 CG LEU A 76 -0.929 13.315 -9.047 1.00 10.00 C ATOM 980 CD1 LEU A 76 -1.117 11.979 -8.345 1.00 10.00 C ATOM 981 CD2 LEU A 76 -0.750 13.106 -10.545 1.00 10.00 C ATOM 0 H LEU A 76 -0.910 16.034 -7.450 1.00 10.00 H new ATOM 0 HA LEU A 76 -1.553 15.677 -10.270 1.00 10.00 H new ATOM 0 HB2 LEU A 76 -2.309 14.251 -7.700 1.00 10.00 H new ATOM 0 HB3 LEU A 76 -3.001 13.827 -9.253 1.00 10.00 H new ATOM 0 HG LEU A 76 -0.029 13.787 -8.653 1.00 10.00 H new ATOM 0 HD11 LEU A 76 -0.263 11.335 -8.554 1.00 10.00 H new ATOM 0 HD12 LEU A 76 -1.196 12.141 -7.270 1.00 10.00 H new ATOM 0 HD13 LEU A 76 -2.028 11.502 -8.708 1.00 10.00 H new ATOM 0 HD21 LEU A 76 0.098 12.444 -10.721 1.00 10.00 H new ATOM 0 HD22 LEU A 76 -1.653 12.658 -10.960 1.00 10.00 H new ATOM 0 HD23 LEU A 76 -0.567 14.066 -11.027 1.00 10.00 H new ATOM 993 N GLU A 77 -3.313 17.565 -8.568 1.00 10.00 N ATOM 994 CA GLU A 77 -4.528 18.382 -8.474 1.00 10.00 C ATOM 995 C GLU A 77 -5.705 17.570 -7.942 1.00 10.00 C ATOM 996 O GLU A 77 -6.817 17.629 -8.476 1.00 10.00 O ATOM 997 CB GLU A 77 -4.875 18.984 -9.835 1.00 10.00 C ATOM 998 CG GLU A 77 -3.869 20.015 -10.317 1.00 10.00 C ATOM 999 CD GLU A 77 -4.124 21.387 -9.734 1.00 10.00 C ATOM 1000 OE1 GLU A 77 -3.535 21.712 -8.685 1.00 10.00 O ATOM 1001 OE2 GLU A 77 -4.914 22.150 -10.329 1.00 10.00 O ATOM 0 H GLU A 77 -2.512 17.955 -8.071 1.00 10.00 H new ATOM 0 HA GLU A 77 -4.330 19.190 -7.770 1.00 10.00 H new ATOM 0 HB2 GLU A 77 -4.943 18.183 -10.571 1.00 10.00 H new ATOM 0 HB3 GLU A 77 -5.860 19.448 -9.778 1.00 10.00 H new ATOM 0 HG2 GLU A 77 -2.864 19.691 -10.049 1.00 10.00 H new ATOM 0 HG3 GLU A 77 -3.905 20.073 -11.405 1.00 10.00 H new ATOM 1008 N MET A 78 -5.452 16.815 -6.887 1.00 10.00 N ATOM 1009 CA MET A 78 -6.475 15.986 -6.270 1.00 10.00 C ATOM 1010 C MET A 78 -7.388 16.847 -5.411 1.00 10.00 C ATOM 1011 O MET A 78 -6.985 17.920 -4.951 1.00 10.00 O ATOM 1012 CB MET A 78 -5.833 14.899 -5.403 1.00 10.00 C ATOM 1013 CG MET A 78 -4.785 14.072 -6.127 1.00 10.00 C ATOM 1014 SD MET A 78 -3.921 12.929 -5.034 1.00 10.00 S ATOM 1015 CE MET A 78 -5.267 11.855 -4.537 1.00 10.00 C ATOM 0 H MET A 78 -4.539 16.759 -6.436 1.00 10.00 H new ATOM 0 HA MET A 78 -7.058 15.510 -7.059 1.00 10.00 H new ATOM 0 HB2 MET A 78 -5.374 15.367 -4.532 1.00 10.00 H new ATOM 0 HB3 MET A 78 -6.614 14.235 -5.033 1.00 10.00 H new ATOM 0 HG2 MET A 78 -5.263 13.510 -6.929 1.00 10.00 H new ATOM 0 HG3 MET A 78 -4.060 14.739 -6.594 1.00 10.00 H new ATOM 0 HE1 MET A 78 -5.514 12.041 -3.492 1.00 10.00 H new ATOM 0 HE2 MET A 78 -6.140 12.055 -5.158 1.00 10.00 H new ATOM 0 HE3 MET A 78 -4.966 10.814 -4.658 1.00 10.00 H new ATOM 1025 N GLU A 79 -8.607 16.390 -5.200 1.00 10.00 N ATOM 1026 CA GLU A 79 -9.552 17.125 -4.384 1.00 10.00 C ATOM 1027 C GLU A 79 -9.938 16.301 -3.167 1.00 10.00 C ATOM 1028 O GLU A 79 -9.460 15.177 -2.990 1.00 10.00 O ATOM 1029 CB GLU A 79 -10.794 17.499 -5.191 1.00 10.00 C ATOM 1030 CG GLU A 79 -11.022 19.002 -5.297 1.00 10.00 C ATOM 1031 CD GLU A 79 -10.884 19.717 -3.963 1.00 10.00 C ATOM 1032 OE1 GLU A 79 -11.644 19.401 -3.027 1.00 10.00 O ATOM 1033 OE2 GLU A 79 -10.012 20.602 -3.844 1.00 10.00 O ATOM 0 H GLU A 79 -8.965 15.515 -5.582 1.00 10.00 H new ATOM 0 HA GLU A 79 -9.077 18.048 -4.051 1.00 10.00 H new ATOM 0 HB2 GLU A 79 -10.705 17.082 -6.194 1.00 10.00 H new ATOM 0 HB3 GLU A 79 -11.668 17.039 -4.731 1.00 10.00 H new ATOM 0 HG2 GLU A 79 -10.308 19.424 -6.005 1.00 10.00 H new ATOM 0 HG3 GLU A 79 -12.018 19.186 -5.701 1.00 10.00 H new ATOM 1040 N ASP A 80 -10.787 16.865 -2.331 1.00 10.00 N ATOM 1041 CA ASP A 80 -11.239 16.191 -1.126 1.00 10.00 C ATOM 1042 C ASP A 80 -12.155 15.027 -1.476 1.00 10.00 C ATOM 1043 O ASP A 80 -12.936 15.108 -2.429 1.00 10.00 O ATOM 1044 CB ASP A 80 -11.963 17.183 -0.218 1.00 10.00 C ATOM 1045 CG ASP A 80 -12.197 16.640 1.172 1.00 10.00 C ATOM 1046 OD1 ASP A 80 -13.359 16.651 1.623 1.00 10.00 O ATOM 1047 OD2 ASP A 80 -11.220 16.214 1.824 1.00 10.00 O ATOM 0 H ASP A 80 -11.182 17.796 -2.464 1.00 10.00 H new ATOM 0 HA ASP A 80 -10.371 15.795 -0.598 1.00 10.00 H new ATOM 0 HB2 ASP A 80 -11.379 18.101 -0.151 1.00 10.00 H new ATOM 0 HB3 ASP A 80 -12.921 17.447 -0.666 1.00 10.00 H new ATOM 1052 N GLU A 81 -12.032 13.942 -0.711 1.00 10.00 N ATOM 1053 CA GLU A 81 -12.830 12.731 -0.902 1.00 10.00 C ATOM 1054 C GLU A 81 -12.447 11.999 -2.185 1.00 10.00 C ATOM 1055 O GLU A 81 -13.227 11.194 -2.702 1.00 10.00 O ATOM 1056 CB GLU A 81 -14.328 13.042 -0.904 1.00 10.00 C ATOM 1057 CG GLU A 81 -14.867 13.479 0.446 1.00 10.00 C ATOM 1058 CD GLU A 81 -16.362 13.284 0.549 1.00 10.00 C ATOM 1059 OE1 GLU A 81 -17.112 14.100 -0.026 1.00 10.00 O ATOM 1060 OE2 GLU A 81 -16.795 12.304 1.187 1.00 10.00 O ATOM 0 H GLU A 81 -11.371 13.878 0.064 1.00 10.00 H new ATOM 0 HA GLU A 81 -12.613 12.077 -0.058 1.00 10.00 H new ATOM 0 HB2 GLU A 81 -14.525 13.827 -1.634 1.00 10.00 H new ATOM 0 HB3 GLU A 81 -14.873 12.157 -1.232 1.00 10.00 H new ATOM 0 HG2 GLU A 81 -14.372 12.912 1.235 1.00 10.00 H new ATOM 0 HG3 GLU A 81 -14.626 14.529 0.610 1.00 10.00 H new ATOM 1067 N ASP A 82 -11.247 12.267 -2.694 1.00 10.00 N ATOM 1068 CA ASP A 82 -10.779 11.607 -3.910 1.00 10.00 C ATOM 1069 C ASP A 82 -10.551 10.128 -3.635 1.00 10.00 C ATOM 1070 O ASP A 82 -10.422 9.720 -2.479 1.00 10.00 O ATOM 1071 CB ASP A 82 -9.494 12.251 -4.432 1.00 10.00 C ATOM 1072 CG ASP A 82 -9.460 12.299 -5.948 1.00 10.00 C ATOM 1073 OD1 ASP A 82 -9.542 11.225 -6.583 1.00 10.00 O ATOM 1074 OD2 ASP A 82 -9.371 13.414 -6.509 1.00 10.00 O ATOM 0 H ASP A 82 -10.587 12.930 -2.288 1.00 10.00 H new ATOM 0 HA ASP A 82 -11.544 11.720 -4.678 1.00 10.00 H new ATOM 0 HB2 ASP A 82 -9.408 13.262 -4.035 1.00 10.00 H new ATOM 0 HB3 ASP A 82 -8.633 11.691 -4.067 1.00 10.00 H new ATOM 1079 N THR A 83 -10.488 9.326 -4.685 1.00 10.00 N ATOM 1080 CA THR A 83 -10.315 7.891 -4.520 1.00 10.00 C ATOM 1081 C THR A 83 -8.997 7.395 -5.106 1.00 10.00 C ATOM 1082 O THR A 83 -8.659 7.682 -6.252 1.00 10.00 O ATOM 1083 CB THR A 83 -11.475 7.113 -5.171 1.00 10.00 C ATOM 1084 OG1 THR A 83 -12.728 7.654 -4.731 1.00 10.00 O ATOM 1085 CG2 THR A 83 -11.408 5.634 -4.818 1.00 10.00 C ATOM 0 H THR A 83 -10.553 9.640 -5.653 1.00 10.00 H new ATOM 0 HA THR A 83 -10.306 7.708 -3.445 1.00 10.00 H new ATOM 0 HB THR A 83 -11.388 7.214 -6.253 1.00 10.00 H new ATOM 0 HG1 THR A 83 -13.463 7.158 -5.148 1.00 10.00 H new ATOM 0 HG21 THR A 83 -12.238 5.109 -5.291 1.00 10.00 H new ATOM 0 HG22 THR A 83 -10.466 5.217 -5.174 1.00 10.00 H new ATOM 0 HG23 THR A 83 -11.472 5.515 -3.736 1.00 10.00 H new ATOM 1093 N ILE A 84 -8.260 6.651 -4.299 1.00 10.00 N ATOM 1094 CA ILE A 84 -6.997 6.072 -4.727 1.00 10.00 C ATOM 1095 C ILE A 84 -7.161 4.561 -4.827 1.00 10.00 C ATOM 1096 O ILE A 84 -7.687 3.927 -3.907 1.00 10.00 O ATOM 1097 CB ILE A 84 -5.845 6.412 -3.754 1.00 10.00 C ATOM 1098 CG1 ILE A 84 -5.702 7.930 -3.610 1.00 10.00 C ATOM 1099 CG2 ILE A 84 -4.538 5.796 -4.239 1.00 10.00 C ATOM 1100 CD1 ILE A 84 -4.714 8.350 -2.545 1.00 10.00 C ATOM 0 H ILE A 84 -8.517 6.432 -3.336 1.00 10.00 H new ATOM 0 HA ILE A 84 -6.736 6.495 -5.697 1.00 10.00 H new ATOM 0 HB ILE A 84 -6.081 5.992 -2.776 1.00 10.00 H new ATOM 0 HG12 ILE A 84 -5.391 8.349 -4.567 1.00 10.00 H new ATOM 0 HG13 ILE A 84 -6.677 8.357 -3.377 1.00 10.00 H new ATOM 0 HG21 ILE A 84 -3.738 6.045 -3.542 1.00 10.00 H new ATOM 0 HG22 ILE A 84 -4.645 4.713 -4.296 1.00 10.00 H new ATOM 0 HG23 ILE A 84 -4.295 6.189 -5.226 1.00 10.00 H new ATOM 0 HD11 ILE A 84 -4.667 9.438 -2.501 1.00 10.00 H new ATOM 0 HD12 ILE A 84 -5.034 7.962 -1.578 1.00 10.00 H new ATOM 0 HD13 ILE A 84 -3.728 7.953 -2.787 1.00 10.00 H new ATOM 1112 N ASP A 85 -6.732 3.984 -5.938 1.00 10.00 N ATOM 1113 CA ASP A 85 -6.871 2.548 -6.145 1.00 10.00 C ATOM 1114 C ASP A 85 -5.577 1.810 -5.833 1.00 10.00 C ATOM 1115 O ASP A 85 -4.481 2.309 -6.106 1.00 10.00 O ATOM 1116 CB ASP A 85 -7.294 2.265 -7.583 1.00 10.00 C ATOM 1117 CG ASP A 85 -8.425 1.262 -7.662 1.00 10.00 C ATOM 1118 OD1 ASP A 85 -8.242 0.112 -7.210 1.00 10.00 O ATOM 1119 OD2 ASP A 85 -9.505 1.624 -8.178 1.00 10.00 O ATOM 0 H ASP A 85 -6.287 4.483 -6.708 1.00 10.00 H new ATOM 0 HA ASP A 85 -7.639 2.186 -5.461 1.00 10.00 H new ATOM 0 HB2 ASP A 85 -7.603 3.196 -8.058 1.00 10.00 H new ATOM 0 HB3 ASP A 85 -6.438 1.889 -8.144 1.00 10.00 H new ATOM 1124 N VAL A 86 -5.712 0.620 -5.259 1.00 10.00 N ATOM 1125 CA VAL A 86 -4.566 -0.205 -4.906 1.00 10.00 C ATOM 1126 C VAL A 86 -4.681 -1.580 -5.555 1.00 10.00 C ATOM 1127 O VAL A 86 -5.703 -2.256 -5.428 1.00 10.00 O ATOM 1128 CB VAL A 86 -4.425 -0.383 -3.378 1.00 10.00 C ATOM 1129 CG1 VAL A 86 -3.126 -1.100 -3.037 1.00 10.00 C ATOM 1130 CG2 VAL A 86 -4.501 0.961 -2.667 1.00 10.00 C ATOM 0 H VAL A 86 -6.614 0.203 -5.027 1.00 10.00 H new ATOM 0 HA VAL A 86 -3.680 0.312 -5.275 1.00 10.00 H new ATOM 0 HB VAL A 86 -5.255 -0.998 -3.030 1.00 10.00 H new ATOM 0 HG11 VAL A 86 -3.047 -1.215 -1.956 1.00 10.00 H new ATOM 0 HG12 VAL A 86 -3.119 -2.083 -3.508 1.00 10.00 H new ATOM 0 HG13 VAL A 86 -2.281 -0.516 -3.403 1.00 10.00 H new ATOM 0 HG21 VAL A 86 -4.399 0.810 -1.592 1.00 10.00 H new ATOM 0 HG22 VAL A 86 -3.696 1.606 -3.021 1.00 10.00 H new ATOM 0 HG23 VAL A 86 -5.462 1.431 -2.878 1.00 10.00 H new ATOM 1140 N PHE A 87 -3.633 -1.977 -6.256 1.00 10.00 N ATOM 1141 CA PHE A 87 -3.597 -3.263 -6.933 1.00 10.00 C ATOM 1142 C PHE A 87 -2.415 -4.085 -6.436 1.00 10.00 C ATOM 1143 O PHE A 87 -1.597 -3.599 -5.652 1.00 10.00 O ATOM 1144 CB PHE A 87 -3.493 -3.063 -8.449 1.00 10.00 C ATOM 1145 CG PHE A 87 -4.647 -2.302 -9.036 1.00 10.00 C ATOM 1146 CD1 PHE A 87 -5.863 -2.925 -9.254 1.00 10.00 C ATOM 1147 CD2 PHE A 87 -4.514 -0.963 -9.368 1.00 10.00 C ATOM 1148 CE1 PHE A 87 -6.926 -2.227 -9.791 1.00 10.00 C ATOM 1149 CE2 PHE A 87 -5.575 -0.261 -9.906 1.00 10.00 C ATOM 1150 CZ PHE A 87 -6.782 -0.895 -10.117 1.00 10.00 C ATOM 0 H PHE A 87 -2.786 -1.420 -6.372 1.00 10.00 H new ATOM 0 HA PHE A 87 -4.520 -3.799 -6.711 1.00 10.00 H new ATOM 0 HB2 PHE A 87 -2.567 -2.534 -8.674 1.00 10.00 H new ATOM 0 HB3 PHE A 87 -3.428 -4.038 -8.932 1.00 10.00 H new ATOM 0 HD1 PHE A 87 -5.982 -3.968 -9.001 1.00 10.00 H new ATOM 0 HD2 PHE A 87 -3.571 -0.463 -9.204 1.00 10.00 H new ATOM 0 HE1 PHE A 87 -7.870 -2.724 -9.956 1.00 10.00 H new ATOM 0 HE2 PHE A 87 -5.460 0.782 -10.161 1.00 10.00 H new ATOM 0 HZ PHE A 87 -7.613 -0.348 -10.537 1.00 10.00 H new ATOM 1160 N GLN A 88 -2.330 -5.322 -6.897 1.00 10.00 N ATOM 1161 CA GLN A 88 -1.251 -6.218 -6.503 1.00 10.00 C ATOM 1162 C GLN A 88 -0.356 -6.544 -7.694 1.00 10.00 C ATOM 1163 O GLN A 88 -0.818 -6.578 -8.837 1.00 10.00 O ATOM 1164 CB GLN A 88 -1.822 -7.515 -5.920 1.00 10.00 C ATOM 1165 CG GLN A 88 -2.484 -7.336 -4.563 1.00 10.00 C ATOM 1166 CD GLN A 88 -1.486 -7.287 -3.422 1.00 10.00 C ATOM 1167 OE1 GLN A 88 -0.351 -6.841 -3.584 1.00 10.00 O ATOM 1168 NE2 GLN A 88 -1.901 -7.754 -2.256 1.00 10.00 N ATOM 0 H GLN A 88 -2.999 -5.732 -7.549 1.00 10.00 H new ATOM 0 HA GLN A 88 -0.655 -5.714 -5.743 1.00 10.00 H new ATOM 0 HB2 GLN A 88 -2.551 -7.927 -6.618 1.00 10.00 H new ATOM 0 HB3 GLN A 88 -1.019 -8.246 -5.829 1.00 10.00 H new ATOM 0 HG2 GLN A 88 -3.068 -6.416 -4.568 1.00 10.00 H new ATOM 0 HG3 GLN A 88 -3.182 -8.156 -4.394 1.00 10.00 H new ATOM 0 HE21 GLN A 88 -2.850 -8.116 -2.160 1.00 10.00 H new ATOM 0 HE22 GLN A 88 -1.272 -7.752 -1.453 1.00 10.00 H new ATOM 1177 N GLN A 89 0.922 -6.765 -7.427 1.00 10.00 N ATOM 1178 CA GLN A 89 1.873 -7.101 -8.475 1.00 10.00 C ATOM 1179 C GLN A 89 1.694 -8.556 -8.896 1.00 10.00 C ATOM 1180 O GLN A 89 1.506 -9.436 -8.058 1.00 10.00 O ATOM 1181 CB GLN A 89 3.310 -6.855 -7.997 1.00 10.00 C ATOM 1182 CG GLN A 89 4.380 -7.241 -9.012 1.00 10.00 C ATOM 1183 CD GLN A 89 4.231 -6.510 -10.335 1.00 10.00 C ATOM 1184 OE1 GLN A 89 3.748 -5.379 -10.385 1.00 10.00 O ATOM 1185 NE2 GLN A 89 4.653 -7.151 -11.413 1.00 10.00 N ATOM 0 H GLN A 89 1.325 -6.718 -6.491 1.00 10.00 H new ATOM 0 HA GLN A 89 1.685 -6.460 -9.336 1.00 10.00 H new ATOM 0 HB2 GLN A 89 3.423 -5.799 -7.750 1.00 10.00 H new ATOM 0 HB3 GLN A 89 3.477 -7.417 -7.078 1.00 10.00 H new ATOM 0 HG2 GLN A 89 5.364 -7.028 -8.594 1.00 10.00 H new ATOM 0 HG3 GLN A 89 4.335 -8.316 -9.189 1.00 10.00 H new ATOM 0 HE21 GLN A 89 5.047 -8.088 -11.328 1.00 10.00 H new ATOM 0 HE22 GLN A 89 4.584 -6.708 -12.329 1.00 10.00 H new ATOM 1194 N GLN A 90 1.743 -8.793 -10.197 1.00 10.00 N ATOM 1195 CA GLN A 90 1.586 -10.129 -10.745 1.00 10.00 C ATOM 1196 C GLN A 90 2.804 -10.990 -10.413 1.00 10.00 C ATOM 1197 O GLN A 90 3.845 -10.889 -11.063 1.00 10.00 O ATOM 1198 CB GLN A 90 1.393 -10.058 -12.264 1.00 10.00 C ATOM 1199 CG GLN A 90 0.117 -9.347 -12.698 1.00 10.00 C ATOM 1200 CD GLN A 90 0.165 -7.840 -12.492 1.00 10.00 C ATOM 1201 OE1 GLN A 90 1.233 -7.228 -12.530 1.00 10.00 O ATOM 1202 NE2 GLN A 90 -0.988 -7.233 -12.266 1.00 10.00 N ATOM 0 H GLN A 90 1.892 -8.068 -10.899 1.00 10.00 H new ATOM 0 HA GLN A 90 0.704 -10.585 -10.296 1.00 10.00 H new ATOM 0 HB2 GLN A 90 2.249 -9.546 -12.704 1.00 10.00 H new ATOM 0 HB3 GLN A 90 1.386 -11.071 -12.666 1.00 10.00 H new ATOM 0 HG2 GLN A 90 -0.066 -9.557 -13.752 1.00 10.00 H new ATOM 0 HG3 GLN A 90 -0.726 -9.756 -12.140 1.00 10.00 H new ATOM 0 HE21 GLN A 90 -1.853 -7.773 -12.242 1.00 10.00 H new ATOM 0 HE22 GLN A 90 -1.013 -6.224 -12.116 1.00 10.00 H new ATOM 1211 N THR A 91 2.670 -11.827 -9.395 1.00 10.00 N ATOM 1212 CA THR A 91 3.749 -12.698 -8.954 1.00 10.00 C ATOM 1213 C THR A 91 3.851 -13.965 -9.805 1.00 10.00 C ATOM 1214 O THR A 91 3.886 -15.080 -9.279 1.00 10.00 O ATOM 1215 CB THR A 91 3.535 -13.088 -7.486 1.00 10.00 C ATOM 1216 OG1 THR A 91 2.188 -12.782 -7.107 1.00 10.00 O ATOM 1217 CG2 THR A 91 4.504 -12.346 -6.579 1.00 10.00 C ATOM 0 H THR A 91 1.812 -11.921 -8.852 1.00 10.00 H new ATOM 0 HA THR A 91 4.681 -12.144 -9.066 1.00 10.00 H new ATOM 0 HB THR A 91 3.718 -14.157 -7.379 1.00 10.00 H new ATOM 0 HG1 THR A 91 2.047 -13.032 -6.170 1.00 10.00 H new ATOM 0 HG21 THR A 91 4.331 -12.640 -5.544 1.00 10.00 H new ATOM 0 HG22 THR A 91 5.528 -12.593 -6.861 1.00 10.00 H new ATOM 0 HG23 THR A 91 4.349 -11.272 -6.682 1.00 10.00 H new ATOM 1225 N GLY A 92 3.916 -13.789 -11.117 1.00 10.00 N ATOM 1226 CA GLY A 92 4.016 -14.919 -12.016 1.00 10.00 C ATOM 1227 C GLY A 92 3.316 -14.667 -13.331 1.00 10.00 C ATOM 1228 O GLY A 92 3.980 -14.218 -14.284 1.00 10.00 O ATOM 0 H GLY A 92 3.901 -12.878 -11.576 1.00 10.00 H new ATOM 0 HA2 GLY A 92 5.067 -15.141 -12.203 1.00 10.00 H new ATOM 0 HA3 GLY A 92 3.584 -15.799 -11.540 1.00 10.00 H new TER 1232 GLY A 92 ATOM 1233 N ASN B 357 -19.185 -3.661 5.647 1.00 10.00 N ATOM 1234 CA ASN B 357 -18.911 -2.466 6.476 1.00 10.00 C ATOM 1235 C ASN B 357 -17.537 -2.576 7.118 1.00 10.00 C ATOM 1236 O ASN B 357 -17.410 -3.014 8.263 1.00 10.00 O ATOM 1237 CB ASN B 357 -19.975 -2.310 7.569 1.00 10.00 C ATOM 1238 CG ASN B 357 -19.804 -1.033 8.378 1.00 10.00 C ATOM 1239 OD1 ASN B 357 -19.304 -0.027 7.876 1.00 10.00 O ATOM 1240 ND2 ASN B 357 -20.219 -1.063 9.637 1.00 10.00 N ATOM 0 HA ASN B 357 -18.939 -1.590 5.828 1.00 10.00 H new ATOM 0 HB2 ASN B 357 -20.964 -2.315 7.111 1.00 10.00 H new ATOM 0 HB3 ASN B 357 -19.930 -3.168 8.239 1.00 10.00 H new ATOM 0 HD21 ASN B 357 -20.129 -0.234 10.224 1.00 10.00 H new ATOM 0 HD22 ASN B 357 -20.629 -1.916 10.019 1.00 10.00 H new ATOM 1247 N ASN B 358 -16.510 -2.225 6.363 1.00 10.00 N ATOM 1248 CA ASN B 358 -15.150 -2.253 6.871 1.00 10.00 C ATOM 1249 C ASN B 358 -14.582 -0.847 6.780 1.00 10.00 C ATOM 1250 O ASN B 358 -14.595 -0.232 5.706 1.00 10.00 O ATOM 1251 CB ASN B 358 -14.295 -3.237 6.061 1.00 10.00 C ATOM 1252 CG ASN B 358 -12.964 -3.553 6.719 1.00 10.00 C ATOM 1253 OD1 ASN B 358 -12.448 -2.775 7.519 1.00 10.00 O ATOM 1254 ND2 ASN B 358 -12.390 -4.696 6.373 1.00 10.00 N ATOM 0 H ASN B 358 -16.593 -1.917 5.394 1.00 10.00 H new ATOM 0 HA ASN B 358 -15.144 -2.589 7.908 1.00 10.00 H new ATOM 0 HB2 ASN B 358 -14.853 -4.163 5.921 1.00 10.00 H new ATOM 0 HB3 ASN B 358 -14.114 -2.821 5.070 1.00 10.00 H new ATOM 0 HD21 ASN B 358 -11.489 -4.956 6.774 1.00 10.00 H new ATOM 0 HD22 ASN B 358 -12.849 -5.316 5.706 1.00 10.00 H new ATOM 1261 N ARG B 359 -14.113 -0.328 7.900 1.00 10.00 N ATOM 1262 CA ARG B 359 -13.559 1.020 7.944 1.00 10.00 C ATOM 1263 C ARG B 359 -12.155 1.024 8.526 1.00 10.00 C ATOM 1264 O ARG B 359 -11.905 0.445 9.585 1.00 10.00 O ATOM 1265 CB ARG B 359 -14.468 1.954 8.754 1.00 10.00 C ATOM 1266 CG ARG B 359 -14.831 1.412 10.125 1.00 10.00 C ATOM 1267 CD ARG B 359 -15.954 2.200 10.771 1.00 10.00 C ATOM 1268 NE ARG B 359 -16.687 1.387 11.738 1.00 10.00 N ATOM 1269 CZ ARG B 359 -17.536 1.880 12.634 1.00 10.00 C ATOM 1270 NH1 ARG B 359 -17.712 3.190 12.740 1.00 10.00 N ATOM 1271 NH2 ARG B 359 -18.198 1.058 13.438 1.00 10.00 N ATOM 0 H ARG B 359 -14.103 -0.818 8.795 1.00 10.00 H new ATOM 0 HA ARG B 359 -13.502 1.385 6.918 1.00 10.00 H new ATOM 0 HB2 ARG B 359 -13.971 2.917 8.873 1.00 10.00 H new ATOM 0 HB3 ARG B 359 -15.383 2.135 8.190 1.00 10.00 H new ATOM 0 HG2 ARG B 359 -15.128 0.367 10.034 1.00 10.00 H new ATOM 0 HG3 ARG B 359 -13.952 1.439 10.769 1.00 10.00 H new ATOM 0 HD2 ARG B 359 -15.544 3.079 11.269 1.00 10.00 H new ATOM 0 HD3 ARG B 359 -16.638 2.559 10.002 1.00 10.00 H new ATOM 0 HE ARG B 359 -16.538 0.378 11.725 1.00 10.00 H new ATOM 0 HH11 ARG B 359 -17.195 3.825 12.132 1.00 10.00 H new ATOM 0 HH12 ARG B 359 -18.365 3.563 13.429 1.00 10.00 H new ATOM 0 HH21 ARG B 359 -18.055 0.051 13.368 1.00 10.00 H new ATOM 0 HH22 ARG B 359 -18.850 1.434 14.127 1.00 10.00 H new ATOM 1285 N ASP B 360 -11.246 1.665 7.823 1.00 10.00 N ATOM 1286 CA ASP B 360 -9.869 1.784 8.279 1.00 10.00 C ATOM 1287 C ASP B 360 -9.493 3.266 8.386 1.00 10.00 C ATOM 1288 O ASP B 360 -9.769 4.046 7.469 1.00 10.00 O ATOM 1289 CB ASP B 360 -8.902 1.040 7.358 1.00 10.00 C ATOM 1290 CG ASP B 360 -7.504 1.000 7.942 1.00 10.00 C ATOM 1291 OD1 ASP B 360 -6.780 2.003 7.824 1.00 10.00 O ATOM 1292 OD2 ASP B 360 -7.132 -0.033 8.542 1.00 10.00 O ATOM 0 H ASP B 360 -11.433 2.116 6.927 1.00 10.00 H new ATOM 0 HA ASP B 360 -9.790 1.321 9.262 1.00 10.00 H new ATOM 0 HB2 ASP B 360 -9.260 0.023 7.197 1.00 10.00 H new ATOM 0 HB3 ASP B 360 -8.877 1.528 6.383 1.00 10.00 H new ATOM 1297 N PRO B 361 -8.873 3.690 9.501 1.00 10.00 N ATOM 1298 CA PRO B 361 -8.502 5.080 9.703 1.00 10.00 C ATOM 1299 C PRO B 361 -6.986 5.320 9.656 1.00 10.00 C ATOM 1300 O PRO B 361 -6.207 4.696 10.373 1.00 10.00 O ATOM 1301 CB PRO B 361 -9.010 5.280 11.135 1.00 10.00 C ATOM 1302 CG PRO B 361 -8.808 3.944 11.809 1.00 10.00 C ATOM 1303 CD PRO B 361 -8.602 2.911 10.713 1.00 10.00 C ATOM 0 HA PRO B 361 -8.901 5.748 8.940 1.00 10.00 H new ATOM 0 HB2 PRO B 361 -8.455 6.068 11.645 1.00 10.00 H new ATOM 0 HB3 PRO B 361 -10.060 5.573 11.145 1.00 10.00 H new ATOM 0 HG2 PRO B 361 -7.945 3.976 12.474 1.00 10.00 H new ATOM 0 HG3 PRO B 361 -9.673 3.688 12.421 1.00 10.00 H new ATOM 0 HD2 PRO B 361 -7.590 2.506 10.719 1.00 10.00 H new ATOM 0 HD3 PRO B 361 -9.284 2.067 10.816 1.00 10.00 H new ATOM 1311 N ILE B 362 -6.584 6.271 8.824 1.00 10.00 N ATOM 1312 CA ILE B 362 -5.180 6.602 8.657 1.00 10.00 C ATOM 1313 C ILE B 362 -4.909 8.041 9.055 1.00 10.00 C ATOM 1314 O ILE B 362 -5.639 8.967 8.683 1.00 10.00 O ATOM 1315 CB ILE B 362 -4.691 6.364 7.211 1.00 10.00 C ATOM 1316 CG1 ILE B 362 -4.409 4.873 6.980 1.00 10.00 C ATOM 1317 CG2 ILE B 362 -3.446 7.193 6.907 1.00 10.00 C ATOM 1318 CD1 ILE B 362 -3.000 4.447 7.343 1.00 10.00 C ATOM 0 H ILE B 362 -7.217 6.829 8.251 1.00 10.00 H new ATOM 0 HA ILE B 362 -4.624 5.935 9.315 1.00 10.00 H new ATOM 0 HB ILE B 362 -5.482 6.682 6.532 1.00 10.00 H new ATOM 0 HG12 ILE B 362 -5.117 4.285 7.565 1.00 10.00 H new ATOM 0 HG13 ILE B 362 -4.589 4.638 5.931 1.00 10.00 H new ATOM 0 HG21 ILE B 362 -3.125 7.005 5.883 1.00 10.00 H new ATOM 0 HG22 ILE B 362 -3.676 8.252 7.027 1.00 10.00 H new ATOM 0 HG23 ILE B 362 -2.647 6.915 7.594 1.00 10.00 H new ATOM 0 HD11 ILE B 362 -2.881 3.381 7.151 1.00 10.00 H new ATOM 0 HD12 ILE B 362 -2.284 5.006 6.740 1.00 10.00 H new ATOM 0 HD13 ILE B 362 -2.820 4.648 8.399 1.00 10.00 H new ATOM 1330 N VAL B 363 -3.858 8.208 9.823 1.00 10.00 N ATOM 1331 CA VAL B 363 -3.433 9.499 10.298 1.00 10.00 C ATOM 1332 C VAL B 363 -2.063 9.791 9.715 1.00 10.00 C ATOM 1333 O VAL B 363 -1.203 8.918 9.658 1.00 10.00 O ATOM 1334 CB VAL B 363 -3.393 9.579 11.840 1.00 10.00 C ATOM 1335 CG1 VAL B 363 -3.216 11.020 12.303 1.00 10.00 C ATOM 1336 CG2 VAL B 363 -4.666 8.981 12.425 1.00 10.00 C ATOM 0 H VAL B 363 -3.267 7.439 10.139 1.00 10.00 H new ATOM 0 HA VAL B 363 -4.158 10.245 9.973 1.00 10.00 H new ATOM 0 HB VAL B 363 -2.538 9.004 12.196 1.00 10.00 H new ATOM 0 HG11 VAL B 363 -3.191 11.052 13.392 1.00 10.00 H new ATOM 0 HG12 VAL B 363 -2.282 11.417 11.907 1.00 10.00 H new ATOM 0 HG13 VAL B 363 -4.049 11.623 11.942 1.00 10.00 H new ATOM 0 HG21 VAL B 363 -4.630 9.041 13.513 1.00 10.00 H new ATOM 0 HG22 VAL B 363 -5.530 9.536 12.059 1.00 10.00 H new ATOM 0 HG23 VAL B 363 -4.750 7.937 12.122 1.00 10.00 H new ATOM 1346 N ILE B 364 -1.890 11.011 9.261 1.00 10.00 N ATOM 1347 CA ILE B 364 -0.658 11.433 8.634 1.00 10.00 C ATOM 1348 C ILE B 364 0.071 12.405 9.540 1.00 10.00 C ATOM 1349 O ILE B 364 -0.550 13.210 10.245 1.00 10.00 O ATOM 1350 CB ILE B 364 -0.916 12.064 7.233 1.00 10.00 C ATOM 1351 CG1 ILE B 364 -0.200 11.275 6.123 1.00 10.00 C ATOM 1352 CG2 ILE B 364 -0.479 13.526 7.189 1.00 10.00 C ATOM 1353 CD1 ILE B 364 -0.097 9.783 6.364 1.00 10.00 C ATOM 0 H ILE B 364 -2.601 11.740 9.316 1.00 10.00 H new ATOM 0 HA ILE B 364 -0.032 10.554 8.480 1.00 10.00 H new ATOM 0 HB ILE B 364 -1.991 12.017 7.058 1.00 10.00 H new ATOM 0 HG12 ILE B 364 -0.726 11.441 5.183 1.00 10.00 H new ATOM 0 HG13 ILE B 364 0.805 11.679 6.001 1.00 10.00 H new ATOM 0 HG21 ILE B 364 -0.673 13.934 6.197 1.00 10.00 H new ATOM 0 HG22 ILE B 364 -1.038 14.095 7.932 1.00 10.00 H new ATOM 0 HG23 ILE B 364 0.587 13.594 7.407 1.00 10.00 H new ATOM 0 HD11 ILE B 364 0.423 9.314 5.528 1.00 10.00 H new ATOM 0 HD12 ILE B 364 0.458 9.601 7.284 1.00 10.00 H new ATOM 0 HD13 ILE B 364 -1.097 9.359 6.453 1.00 10.00 H new HETATM 1365 N SEP B 365 1.386 12.297 9.538 1.00 10.00 N HETATM 1366 CA SEP B 365 2.222 13.121 10.374 1.00 10.00 C HETATM 1367 CB SEP B 365 3.328 12.265 11.002 1.00 10.00 C HETATM 1368 OG SEP B 365 3.812 11.289 10.077 1.00 10.00 O HETATM 1369 C SEP B 365 2.820 14.211 9.514 1.00 10.00 C HETATM 1370 O SEP B 365 3.299 13.968 8.402 1.00 10.00 O HETATM 1371 P SEP B 365 5.044 10.351 10.477 1.00 10.00 P HETATM 1372 O1P SEP B 365 4.656 9.078 11.107 1.00 10.00 O HETATM 1373 O2P SEP B 365 6.133 11.045 11.180 1.00 10.00 O HETATM 1374 O3P SEP B 365 5.699 9.921 9.087 1.00 10.00 O HETATM 0 HB3 SEP B 365 4.150 12.905 11.323 1.00 10.00 H new HETATM 0 HB2 SEP B 365 2.945 11.767 11.893 1.00 10.00 H new HETATM 0 HA SEP B 365 1.637 13.566 11.179 1.00 10.00 H new HETATM 0 H SEP B 365 1.584 11.301 9.443 1.00 10.00 H new ATOM 1379 N ASP B 366 2.743 15.423 10.032 1.00 10.00 N ATOM 1380 CA ASP B 366 3.178 16.596 9.313 1.00 10.00 C ATOM 1381 C ASP B 366 4.363 17.259 9.985 1.00 10.00 C ATOM 1382 O ASP B 366 4.369 17.488 11.196 1.00 10.00 O ATOM 1383 CB ASP B 366 2.009 17.581 9.232 1.00 10.00 C ATOM 1384 CG ASP B 366 2.353 18.842 8.479 1.00 10.00 C ATOM 1385 OD1 ASP B 366 2.439 19.916 9.113 1.00 10.00 O ATOM 1386 OD2 ASP B 366 2.505 18.773 7.249 1.00 10.00 O ATOM 0 H ASP B 366 2.376 15.617 10.964 1.00 10.00 H new ATOM 0 HA ASP B 366 3.496 16.295 8.315 1.00 10.00 H new ATOM 0 HB2 ASP B 366 1.163 17.094 8.747 1.00 10.00 H new ATOM 0 HB3 ASP B 366 1.690 17.842 10.241 1.00 10.00 H new HETATM 1391 N SEP B 367 5.366 17.532 9.183 1.00 10.00 N HETATM 1392 CA SEP B 367 6.580 18.162 9.640 1.00 10.00 C HETATM 1393 CB SEP B 367 7.758 17.410 9.032 1.00 10.00 C HETATM 1394 OG SEP B 367 7.307 16.595 7.952 1.00 10.00 O HETATM 1395 C SEP B 367 6.591 19.631 9.231 1.00 10.00 C HETATM 1396 O SEP B 367 6.852 19.957 8.069 1.00 10.00 O HETATM 1397 P SEP B 367 7.892 15.126 7.732 1.00 10.00 P HETATM 1398 O1P SEP B 367 7.874 14.688 6.327 1.00 10.00 O HETATM 1399 O2P SEP B 367 9.169 14.885 8.410 1.00 10.00 O HETATM 1400 O3P SEP B 367 6.860 14.143 8.459 1.00 10.00 O HETATM 0 HB3 SEP B 367 8.508 18.117 8.677 1.00 10.00 H new HETATM 0 HB2 SEP B 367 8.237 16.791 9.791 1.00 10.00 H new HETATM 0 HA SEP B 367 6.648 18.125 10.727 1.00 10.00 H new HETATM 0 H SEP B 367 5.413 16.726 8.560 1.00 10.00 H new ATOM 1405 N PRO B 368 6.260 20.533 10.176 1.00 10.00 N ATOM 1406 CA PRO B 368 6.229 21.977 9.921 1.00 10.00 C ATOM 1407 C PRO B 368 7.529 22.485 9.311 1.00 10.00 C ATOM 1408 O PRO B 368 7.478 23.101 8.228 1.00 10.00 O ATOM 1409 CB PRO B 368 6.018 22.582 11.310 1.00 10.00 C ATOM 1410 CG PRO B 368 5.349 21.514 12.097 1.00 10.00 C ATOM 1411 CD PRO B 368 5.876 20.210 11.565 1.00 10.00 C ATOM 0 HA PRO B 368 5.454 22.246 9.204 1.00 10.00 H new ATOM 0 HB2 PRO B 368 6.966 22.871 11.763 1.00 10.00 H new ATOM 0 HB3 PRO B 368 5.402 23.480 11.260 1.00 10.00 H new ATOM 0 HG2 PRO B 368 5.568 21.618 13.160 1.00 10.00 H new ATOM 0 HG3 PRO B 368 4.266 21.570 11.988 1.00 10.00 H new ATOM 0 HD2 PRO B 368 6.728 19.855 12.145 1.00 10.00 H new ATOM 0 HD3 PRO B 368 5.119 19.427 11.600 1.00 10.00 H new TER 1419 PRO B 368