USER MOD reduce.3.24.130724 H: found=0, std=0, add=1148, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1153 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 71 GLN : amide:sc= 0.442 K(o=1.4,f=-3.1) USER MOD Set 1.2: A 75 THR OG1 : rot 67:sc= 1.22 USER MOD Set 1.3: B 71 GLN : amide:sc= -0.25 K(o=1.4,f=-3.1!) USER MOD Set 2.1: B 39 GLN : amide:sc= 0.776 K(o=1.6,f=-5.1!) USER MOD Set 2.2: B 40 LYS NZ :NH3+ -169:sc= 0.783 (180deg=-0.312) USER MOD Set 3.1: B 27 HIS : no HE2:sc= -0.321 K(o=1.4,f=-8.2) USER MOD Set 3.2: B 69 ASN : amide:sc= 1.68 K(o=1.4,f=-5.2!) USER MOD Single : A 3 SER OG : rot 130:sc= -0.034 USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 HIS : no HE2:sc= 0.49 K(o=0.49,f=-3!) USER MOD Single : A 18 LYS NZ :NH3+ 178:sc= 0.966 (180deg=0.963) USER MOD Single : A 19 TYR OH : rot 30:sc= 0 USER MOD Single : A 20 SER OG : rot 171:sc= 1.47 USER MOD Single : A 28 THR OG1 : rot -17:sc= 0.401 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ -166:sc= -0.0265 (180deg=-0.227) USER MOD Single : A 35 LYS NZ :NH3+ -159:sc= 0.74 (180deg=0.504) USER MOD Single : A 39 GLN :FLIP amide:sc= 0 F(o=-0.72,f=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ -142:sc= -0.0766 (180deg=-0.278) USER MOD Single : A 57 MET CE :methyl 171:sc= -0.286 (180deg=-0.428) USER MOD Single : A 69 ASN : amide:sc= 0.541 K(o=0.54,f=-3.5!) USER MOD Single : A 73 TYR OH : rot 158:sc= 1.03 USER MOD Single : A 82 MET CE :methyl 177:sc= 0 (180deg=-0.0202) USER MOD Single : A 84 TYR OH : rot 44:sc= 1.13 USER MOD Single : A 85 ASN : amide:sc= 0.956 K(o=0.96,f=0) USER MOD Single : B 3 SER OG : rot -166:sc= 0.993 USER MOD Single : B 7 GLN : amide:sc= 0.836 K(o=0.84,f=-0.048) USER MOD Single : B 17 HIS : no HD1:sc= 0 X(o=0,f=-0.21) USER MOD Single : B 18 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0179) USER MOD Single : B 19 TYR OH : rot 11:sc= 1.24 USER MOD Single : B 20 SER OG : rot 179:sc= 1.26 USER MOD Single : B 28 THR OG1 : rot 180:sc= 0 USER MOD Single : B 30 SER OG : rot -43:sc= 1.27 USER MOD Single : B 31 LYS NZ :NH3+ -170:sc= 0.563 (180deg=0.348) USER MOD Single : B 32 LYS NZ :NH3+ 152:sc= 0.0373 (180deg=0) USER MOD Single : B 35 LYS NZ :NH3+ -129:sc= 0 (180deg=-0.525) USER MOD Single : B 55 LYS NZ :NH3+ 161:sc= 0.204 (180deg=-0.026) USER MOD Single : B 57 MET CE :methyl 160:sc= -0.144 (180deg=-0.937) USER MOD Single : B 63 ASN : amide:sc= -0.722! X(o=-0.72!,f=-0.28) USER MOD Single : B 73 TYR OH : rot 157:sc= 0.992 USER MOD Single : B 75 THR OG1 : rot 69:sc= 1.17 USER MOD Single : B 82 MET CE :methyl -170:sc=-0.00354 (180deg=-0.158) USER MOD Single : B 84 TYR OH : rot 180:sc= 0 USER MOD Single : B 85 ASN : amide:sc= 0.925 K(o=0.92,f=0) USER MOD ----------------------------------------------------------------- ATOM 20 N ALA A 2 -7.192 -6.979 -8.816 1.00 0.00 N ATOM 21 CA ALA A 2 -7.099 -5.726 -8.080 1.00 0.00 C ATOM 22 C ALA A 2 -8.073 -5.732 -6.899 1.00 0.00 C ATOM 23 O ALA A 2 -9.047 -4.982 -6.881 1.00 0.00 O ATOM 24 CB ALA A 2 -7.316 -4.532 -9.011 1.00 0.00 C ATOM 0 HA ALA A 2 -6.094 -5.626 -7.671 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -7.242 -3.607 -8.439 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -6.556 -4.537 -9.793 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -8.304 -4.600 -9.465 1.00 0.00 H new ATOM 30 N SER A 3 -7.802 -6.586 -5.909 1.00 0.00 N ATOM 31 CA SER A 3 -8.551 -6.662 -4.665 1.00 0.00 C ATOM 32 C SER A 3 -8.639 -5.286 -3.987 1.00 0.00 C ATOM 33 O SER A 3 -7.795 -4.431 -4.257 1.00 0.00 O ATOM 34 CB SER A 3 -7.829 -7.657 -3.752 1.00 0.00 C ATOM 35 OG SER A 3 -7.450 -8.803 -4.486 1.00 0.00 O ATOM 0 H SER A 3 -7.036 -7.258 -5.957 1.00 0.00 H new ATOM 0 HA SER A 3 -9.571 -6.989 -4.865 1.00 0.00 H new ATOM 0 HB2 SER A 3 -6.948 -7.188 -3.315 1.00 0.00 H new ATOM 0 HB3 SER A 3 -8.480 -7.943 -2.926 1.00 0.00 H new ATOM 0 HG SER A 3 -6.503 -8.997 -4.324 1.00 0.00 H new ATOM 41 N PRO A 4 -9.594 -5.067 -3.065 1.00 0.00 N ATOM 42 CA PRO A 4 -9.714 -3.825 -2.308 1.00 0.00 C ATOM 43 C PRO A 4 -8.367 -3.293 -1.804 1.00 0.00 C ATOM 44 O PRO A 4 -8.041 -2.129 -2.027 1.00 0.00 O ATOM 45 CB PRO A 4 -10.688 -4.141 -1.170 1.00 0.00 C ATOM 46 CG PRO A 4 -11.607 -5.183 -1.804 1.00 0.00 C ATOM 47 CD PRO A 4 -10.647 -5.994 -2.675 1.00 0.00 C ATOM 0 HA PRO A 4 -10.083 -3.016 -2.938 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -10.174 -4.533 -0.292 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -11.238 -3.256 -0.849 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -12.094 -5.804 -1.052 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -12.397 -4.720 -2.395 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -10.239 -6.841 -2.124 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -11.157 -6.398 -3.549 1.00 0.00 H new ATOM 55 N LEU A 5 -7.562 -4.151 -1.165 1.00 0.00 N ATOM 56 CA LEU A 5 -6.217 -3.766 -0.755 1.00 0.00 C ATOM 57 C LEU A 5 -5.378 -3.297 -1.940 1.00 0.00 C ATOM 58 O LEU A 5 -4.725 -2.268 -1.841 1.00 0.00 O ATOM 59 CB LEU A 5 -5.472 -4.915 -0.056 1.00 0.00 C ATOM 60 CG LEU A 5 -5.540 -4.925 1.475 1.00 0.00 C ATOM 61 CD1 LEU A 5 -4.534 -5.966 1.986 1.00 0.00 C ATOM 62 CD2 LEU A 5 -5.182 -3.577 2.121 1.00 0.00 C ATOM 0 H LEU A 5 -7.821 -5.108 -0.925 1.00 0.00 H new ATOM 0 HA LEU A 5 -6.348 -2.944 -0.051 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -5.873 -5.859 -0.424 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -4.424 -4.876 -0.353 1.00 0.00 H new ATOM 0 HG LEU A 5 -6.571 -5.152 1.747 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -4.561 -5.994 3.075 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -4.794 -6.948 1.591 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -3.531 -5.696 1.655 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -5.253 -3.663 3.205 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -4.165 -3.300 1.845 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -5.874 -2.811 1.772 1.00 0.00 H new ATOM 74 N ASP A 6 -5.353 -4.049 -3.040 1.00 0.00 N ATOM 75 CA ASP A 6 -4.529 -3.705 -4.191 1.00 0.00 C ATOM 76 C ASP A 6 -4.931 -2.330 -4.718 1.00 0.00 C ATOM 77 O ASP A 6 -4.078 -1.476 -4.947 1.00 0.00 O ATOM 78 CB ASP A 6 -4.649 -4.777 -5.275 1.00 0.00 C ATOM 79 CG ASP A 6 -3.766 -4.441 -6.472 1.00 0.00 C ATOM 80 OD1 ASP A 6 -2.587 -4.855 -6.439 1.00 0.00 O ATOM 81 OD2 ASP A 6 -4.287 -3.777 -7.393 1.00 0.00 O ATOM 0 H ASP A 6 -5.898 -4.904 -3.155 1.00 0.00 H new ATOM 0 HA ASP A 6 -3.483 -3.663 -3.887 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -4.362 -5.746 -4.867 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -5.687 -4.861 -5.596 1.00 0.00 H new ATOM 86 N GLN A 7 -6.237 -2.112 -4.874 1.00 0.00 N ATOM 87 CA GLN A 7 -6.790 -0.833 -5.289 1.00 0.00 C ATOM 88 C GLN A 7 -6.333 0.281 -4.337 1.00 0.00 C ATOM 89 O GLN A 7 -5.813 1.308 -4.769 1.00 0.00 O ATOM 90 CB GLN A 7 -8.320 -0.961 -5.340 1.00 0.00 C ATOM 91 CG GLN A 7 -8.989 0.273 -5.957 1.00 0.00 C ATOM 92 CD GLN A 7 -10.509 0.181 -5.875 1.00 0.00 C ATOM 93 OE1 GLN A 7 -11.159 1.048 -5.302 1.00 0.00 O ATOM 94 NE2 GLN A 7 -11.093 -0.873 -6.439 1.00 0.00 N ATOM 0 H GLN A 7 -6.944 -2.829 -4.713 1.00 0.00 H new ATOM 0 HA GLN A 7 -6.428 -0.563 -6.281 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -8.589 -1.844 -5.919 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -8.703 -1.112 -4.331 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -8.649 1.170 -5.440 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -8.685 0.371 -6.999 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -10.527 -1.579 -6.909 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -12.107 -0.975 -6.401 1.00 0.00 H new ATOM 103 N ALA A 8 -6.540 0.086 -3.034 1.00 0.00 N ATOM 104 CA ALA A 8 -6.267 1.094 -2.020 1.00 0.00 C ATOM 105 C ALA A 8 -4.769 1.413 -1.914 1.00 0.00 C ATOM 106 O ALA A 8 -4.367 2.575 -1.863 1.00 0.00 O ATOM 107 CB ALA A 8 -6.837 0.601 -0.697 1.00 0.00 C ATOM 0 H ALA A 8 -6.906 -0.787 -2.653 1.00 0.00 H new ATOM 0 HA ALA A 8 -6.747 2.032 -2.300 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -6.645 1.341 0.080 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -7.912 0.451 -0.797 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -6.363 -0.342 -0.426 1.00 0.00 H new ATOM 113 N ILE A 9 -3.933 0.377 -1.901 1.00 0.00 N ATOM 114 CA ILE A 9 -2.486 0.504 -1.984 1.00 0.00 C ATOM 115 C ILE A 9 -2.153 1.295 -3.250 1.00 0.00 C ATOM 116 O ILE A 9 -1.427 2.283 -3.180 1.00 0.00 O ATOM 117 CB ILE A 9 -1.828 -0.892 -1.944 1.00 0.00 C ATOM 118 CG1 ILE A 9 -1.974 -1.496 -0.533 1.00 0.00 C ATOM 119 CG2 ILE A 9 -0.347 -0.819 -2.333 1.00 0.00 C ATOM 120 CD1 ILE A 9 -1.662 -2.995 -0.495 1.00 0.00 C ATOM 0 H ILE A 9 -4.251 -0.590 -1.831 1.00 0.00 H new ATOM 0 HA ILE A 9 -2.084 1.048 -1.130 1.00 0.00 H new ATOM 0 HB ILE A 9 -2.335 -1.530 -2.668 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -1.307 -0.973 0.152 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -2.991 -1.332 -0.176 1.00 0.00 H new ATOM 0 HG21 ILE A 9 0.089 -1.817 -2.295 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -0.255 -0.421 -3.344 1.00 0.00 H new ATOM 0 HG23 ILE A 9 0.180 -0.167 -1.637 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -1.781 -3.366 0.523 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -2.346 -3.526 -1.157 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -0.636 -3.162 -0.824 1.00 0.00 H new ATOM 132 N GLY A 10 -2.720 0.892 -4.390 1.00 0.00 N ATOM 133 CA GLY A 10 -2.620 1.604 -5.655 1.00 0.00 C ATOM 134 C GLY A 10 -2.899 3.096 -5.481 1.00 0.00 C ATOM 135 O GLY A 10 -2.109 3.924 -5.923 1.00 0.00 O ATOM 0 H GLY A 10 -3.275 0.038 -4.454 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -1.623 1.466 -6.074 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -3.327 1.181 -6.369 1.00 0.00 H new ATOM 139 N LEU A 11 -4.004 3.445 -4.819 1.00 0.00 N ATOM 140 CA LEU A 11 -4.335 4.825 -4.487 1.00 0.00 C ATOM 141 C LEU A 11 -3.205 5.493 -3.691 1.00 0.00 C ATOM 142 O LEU A 11 -2.691 6.523 -4.123 1.00 0.00 O ATOM 143 CB LEU A 11 -5.692 4.885 -3.763 1.00 0.00 C ATOM 144 CG LEU A 11 -6.865 4.934 -4.757 1.00 0.00 C ATOM 145 CD1 LEU A 11 -8.098 4.201 -4.215 1.00 0.00 C ATOM 146 CD2 LEU A 11 -7.235 6.393 -5.038 1.00 0.00 C ATOM 0 H LEU A 11 -4.697 2.770 -4.497 1.00 0.00 H new ATOM 0 HA LEU A 11 -4.434 5.398 -5.409 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -5.799 4.014 -3.117 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -5.723 5.765 -3.120 1.00 0.00 H new ATOM 0 HG LEU A 11 -6.547 4.437 -5.673 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -8.905 4.258 -4.945 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -7.848 3.156 -4.030 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -8.418 4.667 -3.283 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -8.066 6.428 -5.742 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -7.527 6.880 -4.108 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -6.376 6.911 -5.464 1.00 0.00 H new ATOM 158 N LEU A 12 -2.795 4.937 -2.546 1.00 0.00 N ATOM 159 CA LEU A 12 -1.753 5.560 -1.718 1.00 0.00 C ATOM 160 C LEU A 12 -0.442 5.742 -2.499 1.00 0.00 C ATOM 161 O LEU A 12 0.187 6.804 -2.422 1.00 0.00 O ATOM 162 CB LEU A 12 -1.537 4.783 -0.406 1.00 0.00 C ATOM 163 CG LEU A 12 -2.438 5.291 0.735 1.00 0.00 C ATOM 164 CD1 LEU A 12 -3.922 5.111 0.424 1.00 0.00 C ATOM 165 CD2 LEU A 12 -2.131 4.543 2.036 1.00 0.00 C ATOM 0 H LEU A 12 -3.165 4.063 -2.172 1.00 0.00 H new ATOM 0 HA LEU A 12 -2.103 6.556 -1.448 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.735 3.725 -0.577 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.493 4.867 -0.105 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.226 6.355 0.843 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -4.516 5.484 1.258 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -4.175 5.667 -0.479 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -4.136 4.053 0.270 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -2.777 4.915 2.831 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.308 3.477 1.893 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.088 4.704 2.311 1.00 0.00 H new ATOM 177 N ILE A 13 -0.030 4.717 -3.252 1.00 0.00 N ATOM 178 CA ILE A 13 1.113 4.793 -4.158 1.00 0.00 C ATOM 179 C ILE A 13 0.919 5.933 -5.158 1.00 0.00 C ATOM 180 O ILE A 13 1.788 6.787 -5.287 1.00 0.00 O ATOM 181 CB ILE A 13 1.341 3.457 -4.894 1.00 0.00 C ATOM 182 CG1 ILE A 13 1.762 2.361 -3.900 1.00 0.00 C ATOM 183 CG2 ILE A 13 2.413 3.619 -5.990 1.00 0.00 C ATOM 184 CD1 ILE A 13 1.780 0.985 -4.569 1.00 0.00 C ATOM 0 H ILE A 13 -0.487 3.805 -3.247 1.00 0.00 H new ATOM 0 HA ILE A 13 2.003 4.995 -3.561 1.00 0.00 H new ATOM 0 HB ILE A 13 0.403 3.161 -5.365 1.00 0.00 H new ATOM 0 HG12 ILE A 13 2.751 2.588 -3.502 1.00 0.00 H new ATOM 0 HG13 ILE A 13 1.073 2.349 -3.055 1.00 0.00 H new ATOM 0 HG21 ILE A 13 2.560 2.666 -6.498 1.00 0.00 H new ATOM 0 HG22 ILE A 13 2.086 4.368 -6.711 1.00 0.00 H new ATOM 0 HG23 ILE A 13 3.352 3.937 -5.537 1.00 0.00 H new ATOM 0 HD11 ILE A 13 2.081 0.231 -3.842 1.00 0.00 H new ATOM 0 HD12 ILE A 13 0.784 0.750 -4.944 1.00 0.00 H new ATOM 0 HD13 ILE A 13 2.488 0.993 -5.398 1.00 0.00 H new ATOM 196 N GLY A 14 -0.198 5.938 -5.887 1.00 0.00 N ATOM 197 CA GLY A 14 -0.487 6.928 -6.913 1.00 0.00 C ATOM 198 C GLY A 14 -0.387 8.334 -6.336 1.00 0.00 C ATOM 199 O GLY A 14 0.310 9.188 -6.882 1.00 0.00 O ATOM 0 H GLY A 14 -0.935 5.242 -5.776 1.00 0.00 H new ATOM 0 HA2 GLY A 14 0.212 6.817 -7.742 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -1.487 6.763 -7.315 1.00 0.00 H new ATOM 203 N ILE A 15 -1.057 8.557 -5.205 1.00 0.00 N ATOM 204 CA ILE A 15 -0.998 9.815 -4.479 1.00 0.00 C ATOM 205 C ILE A 15 0.456 10.180 -4.177 1.00 0.00 C ATOM 206 O ILE A 15 0.859 11.314 -4.413 1.00 0.00 O ATOM 207 CB ILE A 15 -1.851 9.726 -3.204 1.00 0.00 C ATOM 208 CG1 ILE A 15 -3.356 9.599 -3.520 1.00 0.00 C ATOM 209 CG2 ILE A 15 -1.572 10.939 -2.310 1.00 0.00 C ATOM 210 CD1 ILE A 15 -4.043 10.919 -3.884 1.00 0.00 C ATOM 0 H ILE A 15 -1.660 7.860 -4.768 1.00 0.00 H new ATOM 0 HA ILE A 15 -1.412 10.614 -5.095 1.00 0.00 H new ATOM 0 HB ILE A 15 -1.569 8.818 -2.670 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -3.483 8.898 -4.345 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.861 9.168 -2.655 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -2.179 10.873 -1.407 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -0.517 10.955 -2.038 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.822 11.853 -2.849 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -5.097 10.736 -4.090 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -3.952 11.618 -3.052 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.569 11.344 -4.769 1.00 0.00 H new ATOM 222 N PHE A 16 1.255 9.238 -3.663 1.00 0.00 N ATOM 223 CA PHE A 16 2.667 9.506 -3.426 1.00 0.00 C ATOM 224 C PHE A 16 3.337 9.965 -4.722 1.00 0.00 C ATOM 225 O PHE A 16 3.877 11.067 -4.804 1.00 0.00 O ATOM 226 CB PHE A 16 3.366 8.260 -2.864 1.00 0.00 C ATOM 227 CG PHE A 16 4.783 8.500 -2.382 1.00 0.00 C ATOM 228 CD1 PHE A 16 5.004 9.314 -1.258 1.00 0.00 C ATOM 229 CD2 PHE A 16 5.871 7.847 -2.995 1.00 0.00 C ATOM 230 CE1 PHE A 16 6.287 9.409 -0.696 1.00 0.00 C ATOM 231 CE2 PHE A 16 7.163 7.977 -2.455 1.00 0.00 C ATOM 232 CZ PHE A 16 7.370 8.750 -1.299 1.00 0.00 C ATOM 0 H PHE A 16 0.949 8.299 -3.408 1.00 0.00 H new ATOM 0 HA PHE A 16 2.754 10.303 -2.688 1.00 0.00 H new ATOM 0 HB2 PHE A 16 2.775 7.869 -2.036 1.00 0.00 H new ATOM 0 HB3 PHE A 16 3.383 7.489 -3.635 1.00 0.00 H new ATOM 0 HD1 PHE A 16 4.184 9.868 -0.825 1.00 0.00 H new ATOM 0 HD2 PHE A 16 5.713 7.247 -3.879 1.00 0.00 H new ATOM 0 HE1 PHE A 16 6.441 9.990 0.201 1.00 0.00 H new ATOM 0 HE2 PHE A 16 7.998 7.482 -2.929 1.00 0.00 H new ATOM 0 HZ PHE A 16 8.360 8.837 -0.876 1.00 0.00 H new ATOM 242 N HIS A 17 3.285 9.108 -5.743 1.00 0.00 N ATOM 243 CA HIS A 17 3.965 9.291 -7.011 1.00 0.00 C ATOM 244 C HIS A 17 3.568 10.610 -7.675 1.00 0.00 C ATOM 245 O HIS A 17 4.414 11.241 -8.307 1.00 0.00 O ATOM 246 CB HIS A 17 3.691 8.084 -7.919 1.00 0.00 C ATOM 247 CG HIS A 17 4.632 7.983 -9.096 1.00 0.00 C ATOM 248 ND1 HIS A 17 5.137 9.034 -9.830 1.00 0.00 N ATOM 249 CD2 HIS A 17 5.183 6.832 -9.595 1.00 0.00 C ATOM 250 CE1 HIS A 17 5.973 8.523 -10.749 1.00 0.00 C ATOM 251 NE2 HIS A 17 6.036 7.186 -10.645 1.00 0.00 N ATOM 0 H HIS A 17 2.749 8.241 -5.701 1.00 0.00 H new ATOM 0 HA HIS A 17 5.039 9.350 -6.832 1.00 0.00 H new ATOM 0 HB2 HIS A 17 3.764 7.172 -7.327 1.00 0.00 H new ATOM 0 HB3 HIS A 17 2.667 8.143 -8.288 1.00 0.00 H new ATOM 0 HD1 HIS A 17 4.916 10.021 -9.699 1.00 0.00 H new ATOM 0 HD2 HIS A 17 4.992 5.830 -9.240 1.00 0.00 H new ATOM 0 HE1 HIS A 17 6.520 9.108 -11.473 1.00 0.00 H new ATOM 259 N LYS A 18 2.309 11.034 -7.533 1.00 0.00 N ATOM 260 CA LYS A 18 1.812 12.298 -8.060 1.00 0.00 C ATOM 261 C LYS A 18 2.736 13.470 -7.696 1.00 0.00 C ATOM 262 O LYS A 18 2.907 14.379 -8.506 1.00 0.00 O ATOM 263 CB LYS A 18 0.373 12.508 -7.566 1.00 0.00 C ATOM 264 CG LYS A 18 -0.269 13.803 -8.076 1.00 0.00 C ATOM 265 CD LYS A 18 -1.729 13.872 -7.612 1.00 0.00 C ATOM 266 CE LYS A 18 -2.330 15.245 -7.923 1.00 0.00 C ATOM 267 NZ LYS A 18 -3.736 15.327 -7.490 1.00 0.00 N ATOM 0 H LYS A 18 1.598 10.495 -7.039 1.00 0.00 H new ATOM 0 HA LYS A 18 1.805 12.260 -9.149 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -0.237 11.662 -7.881 1.00 0.00 H new ATOM 0 HB3 LYS A 18 0.370 12.516 -6.476 1.00 0.00 H new ATOM 0 HG2 LYS A 18 0.283 14.666 -7.703 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -0.221 13.840 -9.164 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -2.310 13.094 -8.107 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -1.785 13.679 -6.541 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -1.748 16.020 -7.424 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -2.266 15.438 -8.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -4.104 16.280 -7.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -4.301 14.625 -8.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -3.797 15.133 -6.470 1.00 0.00 H new ATOM 281 N TYR A 19 3.329 13.453 -6.497 1.00 0.00 N ATOM 282 CA TYR A 19 4.254 14.489 -6.044 1.00 0.00 C ATOM 283 C TYR A 19 5.681 13.937 -6.057 1.00 0.00 C ATOM 284 O TYR A 19 6.572 14.486 -6.704 1.00 0.00 O ATOM 285 CB TYR A 19 3.838 14.993 -4.654 1.00 0.00 C ATOM 286 CG TYR A 19 2.467 15.652 -4.611 1.00 0.00 C ATOM 287 CD1 TYR A 19 1.310 14.853 -4.633 1.00 0.00 C ATOM 288 CD2 TYR A 19 2.337 17.054 -4.557 1.00 0.00 C ATOM 289 CE1 TYR A 19 0.037 15.443 -4.614 1.00 0.00 C ATOM 290 CE2 TYR A 19 1.061 17.646 -4.544 1.00 0.00 C ATOM 291 CZ TYR A 19 -0.089 16.839 -4.579 1.00 0.00 C ATOM 292 OH TYR A 19 -1.329 17.400 -4.599 1.00 0.00 O ATOM 0 H TYR A 19 3.177 12.713 -5.811 1.00 0.00 H new ATOM 0 HA TYR A 19 4.221 15.344 -6.720 1.00 0.00 H new ATOM 0 HB2 TYR A 19 3.847 14.154 -3.959 1.00 0.00 H new ATOM 0 HB3 TYR A 19 4.582 15.707 -4.301 1.00 0.00 H new ATOM 0 HD1 TYR A 19 1.402 13.777 -4.665 1.00 0.00 H new ATOM 0 HD2 TYR A 19 3.219 17.676 -4.526 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -0.846 14.822 -4.626 1.00 0.00 H new ATOM 0 HE2 TYR A 19 0.965 18.721 -4.507 1.00 0.00 H new ATOM 0 HH TYR A 19 -1.970 16.793 -4.173 1.00 0.00 H new ATOM 302 N SER A 20 5.898 12.823 -5.355 1.00 0.00 N ATOM 303 CA SER A 20 7.206 12.201 -5.193 1.00 0.00 C ATOM 304 C SER A 20 7.864 11.910 -6.544 1.00 0.00 C ATOM 305 O SER A 20 9.082 11.986 -6.667 1.00 0.00 O ATOM 306 CB SER A 20 7.092 10.931 -4.331 1.00 0.00 C ATOM 307 OG SER A 20 8.235 10.802 -3.514 1.00 0.00 O ATOM 0 H SER A 20 5.151 12.321 -4.875 1.00 0.00 H new ATOM 0 HA SER A 20 7.855 12.906 -4.673 1.00 0.00 H new ATOM 0 HB2 SER A 20 6.196 10.980 -3.713 1.00 0.00 H new ATOM 0 HB3 SER A 20 6.991 10.054 -4.971 1.00 0.00 H new ATOM 0 HG SER A 20 8.094 10.081 -2.866 1.00 0.00 H new ATOM 415 N THR A 28 11.679 9.278 -1.989 1.00 0.00 N ATOM 416 CA THR A 28 11.662 10.325 -0.980 1.00 0.00 C ATOM 417 C THR A 28 10.968 11.582 -1.498 1.00 0.00 C ATOM 418 O THR A 28 11.040 11.877 -2.689 1.00 0.00 O ATOM 419 CB THR A 28 13.100 10.636 -0.534 1.00 0.00 C ATOM 420 OG1 THR A 28 13.983 10.635 -1.638 1.00 0.00 O ATOM 421 CG2 THR A 28 13.613 9.593 0.461 1.00 0.00 C ATOM 0 HA THR A 28 11.092 9.971 -0.121 1.00 0.00 H new ATOM 0 HB THR A 28 13.073 11.620 -0.066 1.00 0.00 H new ATOM 0 HG1 THR A 28 13.562 10.173 -2.393 1.00 0.00 H new ATOM 0 HG21 THR A 28 14.632 9.842 0.756 1.00 0.00 H new ATOM 0 HG22 THR A 28 12.972 9.585 1.342 1.00 0.00 H new ATOM 0 HG23 THR A 28 13.601 8.608 -0.006 1.00 0.00 H new ATOM 429 N LEU A 29 10.332 12.340 -0.597 1.00 0.00 N ATOM 430 CA LEU A 29 9.820 13.665 -0.910 1.00 0.00 C ATOM 431 C LEU A 29 9.951 14.610 0.278 1.00 0.00 C ATOM 432 O LEU A 29 10.186 14.170 1.405 1.00 0.00 O ATOM 433 CB LEU A 29 8.395 13.617 -1.488 1.00 0.00 C ATOM 434 CG LEU A 29 7.347 12.803 -0.716 1.00 0.00 C ATOM 435 CD1 LEU A 29 7.233 13.164 0.765 1.00 0.00 C ATOM 436 CD2 LEU A 29 5.973 13.012 -1.362 1.00 0.00 C ATOM 0 H LEU A 29 10.162 12.047 0.365 1.00 0.00 H new ATOM 0 HA LEU A 29 10.445 14.077 -1.702 1.00 0.00 H new ATOM 0 HB2 LEU A 29 8.031 14.641 -1.572 1.00 0.00 H new ATOM 0 HB3 LEU A 29 8.455 13.216 -2.500 1.00 0.00 H new ATOM 0 HG LEU A 29 7.678 11.766 -0.767 1.00 0.00 H new ATOM 0 HD11 LEU A 29 6.470 12.542 1.234 1.00 0.00 H new ATOM 0 HD12 LEU A 29 8.191 12.995 1.256 1.00 0.00 H new ATOM 0 HD13 LEU A 29 6.956 14.214 0.863 1.00 0.00 H new ATOM 0 HD21 LEU A 29 5.224 12.436 -0.818 1.00 0.00 H new ATOM 0 HD22 LEU A 29 5.712 14.070 -1.329 1.00 0.00 H new ATOM 0 HD23 LEU A 29 6.004 12.679 -2.399 1.00 0.00 H new ATOM 448 N SER A 30 9.834 15.912 0.001 1.00 0.00 N ATOM 449 CA SER A 30 10.119 16.976 0.950 1.00 0.00 C ATOM 450 C SER A 30 8.906 17.383 1.791 1.00 0.00 C ATOM 451 O SER A 30 7.759 17.187 1.392 1.00 0.00 O ATOM 452 CB SER A 30 10.710 18.177 0.208 1.00 0.00 C ATOM 453 OG SER A 30 11.751 17.768 -0.658 1.00 0.00 O ATOM 0 H SER A 30 9.532 16.256 -0.910 1.00 0.00 H new ATOM 0 HA SER A 30 10.848 16.590 1.662 1.00 0.00 H new ATOM 0 HB2 SER A 30 9.929 18.677 -0.365 1.00 0.00 H new ATOM 0 HB3 SER A 30 11.092 18.902 0.926 1.00 0.00 H new ATOM 0 HG SER A 30 12.115 18.549 -1.124 1.00 0.00 H new ATOM 459 N LYS A 31 9.172 18.027 2.931 1.00 0.00 N ATOM 460 CA LYS A 31 8.178 18.653 3.797 1.00 0.00 C ATOM 461 C LYS A 31 7.169 19.492 3.007 1.00 0.00 C ATOM 462 O LYS A 31 5.967 19.418 3.250 1.00 0.00 O ATOM 463 CB LYS A 31 8.876 19.470 4.898 1.00 0.00 C ATOM 464 CG LYS A 31 9.935 20.470 4.412 1.00 0.00 C ATOM 465 CD LYS A 31 10.647 21.083 5.624 1.00 0.00 C ATOM 466 CE LYS A 31 11.751 22.045 5.171 1.00 0.00 C ATOM 467 NZ LYS A 31 12.523 22.553 6.318 1.00 0.00 N ATOM 0 H LYS A 31 10.123 18.129 3.286 1.00 0.00 H new ATOM 0 HA LYS A 31 7.599 17.863 4.275 1.00 0.00 H new ATOM 0 HB2 LYS A 31 8.116 20.016 5.457 1.00 0.00 H new ATOM 0 HB3 LYS A 31 9.349 18.778 5.595 1.00 0.00 H new ATOM 0 HG2 LYS A 31 10.657 19.968 3.767 1.00 0.00 H new ATOM 0 HG3 LYS A 31 9.466 21.253 3.817 1.00 0.00 H new ATOM 0 HD2 LYS A 31 9.926 21.615 6.246 1.00 0.00 H new ATOM 0 HD3 LYS A 31 11.076 20.292 6.239 1.00 0.00 H new ATOM 0 HE2 LYS A 31 12.419 21.534 4.478 1.00 0.00 H new ATOM 0 HE3 LYS A 31 11.308 22.881 4.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 13.262 23.201 5.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 11.888 23.061 6.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 12.965 21.756 6.820 1.00 0.00 H new ATOM 481 N LYS A 32 7.654 20.264 2.030 1.00 0.00 N ATOM 482 CA LYS A 32 6.816 20.998 1.098 1.00 0.00 C ATOM 483 C LYS A 32 5.788 20.061 0.456 1.00 0.00 C ATOM 484 O LYS A 32 4.596 20.358 0.435 1.00 0.00 O ATOM 485 CB LYS A 32 7.738 21.638 0.051 1.00 0.00 C ATOM 486 CG LYS A 32 6.974 22.334 -1.081 1.00 0.00 C ATOM 487 CD LYS A 32 7.948 22.886 -2.129 1.00 0.00 C ATOM 488 CE LYS A 32 8.729 24.127 -1.672 1.00 0.00 C ATOM 489 NZ LYS A 32 7.835 25.255 -1.353 1.00 0.00 N ATOM 0 H LYS A 32 8.653 20.393 1.868 1.00 0.00 H new ATOM 0 HA LYS A 32 6.252 21.778 1.610 1.00 0.00 H new ATOM 0 HB2 LYS A 32 8.387 22.363 0.542 1.00 0.00 H new ATOM 0 HB3 LYS A 32 8.383 20.869 -0.374 1.00 0.00 H new ATOM 0 HG2 LYS A 32 6.287 21.630 -1.550 1.00 0.00 H new ATOM 0 HG3 LYS A 32 6.370 23.145 -0.675 1.00 0.00 H new ATOM 0 HD2 LYS A 32 8.657 22.103 -2.397 1.00 0.00 H new ATOM 0 HD3 LYS A 32 7.390 23.134 -3.032 1.00 0.00 H new ATOM 0 HE2 LYS A 32 9.325 23.877 -0.794 1.00 0.00 H new ATOM 0 HE3 LYS A 32 9.425 24.426 -2.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 8.392 26.130 -1.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 7.124 25.358 -2.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 7.357 25.073 -0.448 1.00 0.00 H new ATOM 503 N GLU A 33 6.253 18.928 -0.073 1.00 0.00 N ATOM 504 CA GLU A 33 5.404 17.982 -0.769 1.00 0.00 C ATOM 505 C GLU A 33 4.400 17.362 0.196 1.00 0.00 C ATOM 506 O GLU A 33 3.247 17.195 -0.180 1.00 0.00 O ATOM 507 CB GLU A 33 6.241 16.909 -1.473 1.00 0.00 C ATOM 508 CG GLU A 33 7.330 17.498 -2.384 1.00 0.00 C ATOM 509 CD GLU A 33 6.780 18.533 -3.359 1.00 0.00 C ATOM 510 OE1 GLU A 33 5.866 18.159 -4.126 1.00 0.00 O ATOM 511 OE2 GLU A 33 7.283 19.677 -3.319 1.00 0.00 O ATOM 0 H GLU A 33 7.233 18.647 -0.026 1.00 0.00 H new ATOM 0 HA GLU A 33 4.847 18.517 -1.538 1.00 0.00 H new ATOM 0 HB2 GLU A 33 6.708 16.271 -0.723 1.00 0.00 H new ATOM 0 HB3 GLU A 33 5.583 16.274 -2.066 1.00 0.00 H new ATOM 0 HG2 GLU A 33 8.104 17.958 -1.769 1.00 0.00 H new ATOM 0 HG3 GLU A 33 7.805 16.693 -2.944 1.00 0.00 H new ATOM 518 N LEU A 34 4.807 17.038 1.428 1.00 0.00 N ATOM 519 CA LEU A 34 3.868 16.572 2.448 1.00 0.00 C ATOM 520 C LEU A 34 2.775 17.617 2.714 1.00 0.00 C ATOM 521 O LEU A 34 1.584 17.307 2.646 1.00 0.00 O ATOM 522 CB LEU A 34 4.589 16.276 3.766 1.00 0.00 C ATOM 523 CG LEU A 34 5.532 15.071 3.803 1.00 0.00 C ATOM 524 CD1 LEU A 34 6.128 15.038 5.216 1.00 0.00 C ATOM 525 CD2 LEU A 34 4.796 13.753 3.525 1.00 0.00 C ATOM 0 H LEU A 34 5.777 17.090 1.740 1.00 0.00 H new ATOM 0 HA LEU A 34 3.413 15.658 2.066 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.163 17.161 4.041 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.833 16.135 4.538 1.00 0.00 H new ATOM 0 HG LEU A 34 6.295 15.171 3.031 1.00 0.00 H new ATOM 0 HD11 LEU A 34 6.813 14.194 5.302 1.00 0.00 H new ATOM 0 HD12 LEU A 34 6.669 15.965 5.404 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.326 14.931 5.947 1.00 0.00 H new ATOM 0 HD21 LEU A 34 5.505 12.926 3.561 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.023 13.602 4.279 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.337 13.794 2.537 1.00 0.00 H new ATOM 537 N LYS A 35 3.183 18.847 3.048 1.00 0.00 N ATOM 538 CA LYS A 35 2.264 19.937 3.363 1.00 0.00 C ATOM 539 C LYS A 35 1.300 20.168 2.198 1.00 0.00 C ATOM 540 O LYS A 35 0.096 20.312 2.414 1.00 0.00 O ATOM 541 CB LYS A 35 3.045 21.212 3.713 1.00 0.00 C ATOM 542 CG LYS A 35 3.733 21.109 5.083 1.00 0.00 C ATOM 543 CD LYS A 35 4.727 22.265 5.259 1.00 0.00 C ATOM 544 CE LYS A 35 5.523 22.156 6.566 1.00 0.00 C ATOM 545 NZ LYS A 35 4.680 22.370 7.757 1.00 0.00 N ATOM 0 H LYS A 35 4.166 19.111 3.106 1.00 0.00 H new ATOM 0 HA LYS A 35 1.672 19.663 4.236 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.795 21.400 2.944 1.00 0.00 H new ATOM 0 HB3 LYS A 35 2.366 22.065 3.712 1.00 0.00 H new ATOM 0 HG2 LYS A 35 2.987 21.136 5.877 1.00 0.00 H new ATOM 0 HG3 LYS A 35 4.253 20.155 5.167 1.00 0.00 H new ATOM 0 HD2 LYS A 35 5.418 22.279 4.416 1.00 0.00 H new ATOM 0 HD3 LYS A 35 4.186 23.211 5.244 1.00 0.00 H new ATOM 0 HE2 LYS A 35 5.987 21.171 6.625 1.00 0.00 H new ATOM 0 HE3 LYS A 35 6.330 22.889 6.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 5.280 22.640 8.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 3.995 23.129 7.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 4.170 21.492 7.983 1.00 0.00 H new ATOM 559 N GLU A 36 1.818 20.175 0.963 1.00 0.00 N ATOM 560 CA GLU A 36 0.971 20.183 -0.216 1.00 0.00 C ATOM 561 C GLU A 36 0.033 18.979 -0.177 1.00 0.00 C ATOM 562 O GLU A 36 -1.161 19.178 -0.030 1.00 0.00 O ATOM 563 CB GLU A 36 1.793 20.214 -1.510 1.00 0.00 C ATOM 564 CG GLU A 36 2.469 21.575 -1.727 1.00 0.00 C ATOM 565 CD GLU A 36 3.423 21.559 -2.919 1.00 0.00 C ATOM 566 OE1 GLU A 36 3.266 20.660 -3.774 1.00 0.00 O ATOM 567 OE2 GLU A 36 4.291 22.458 -2.958 1.00 0.00 O ATOM 0 H GLU A 36 2.818 20.175 0.764 1.00 0.00 H new ATOM 0 HA GLU A 36 0.375 21.096 -0.209 1.00 0.00 H new ATOM 0 HB2 GLU A 36 2.552 19.433 -1.476 1.00 0.00 H new ATOM 0 HB3 GLU A 36 1.144 19.992 -2.357 1.00 0.00 H new ATOM 0 HG2 GLU A 36 1.706 22.337 -1.884 1.00 0.00 H new ATOM 0 HG3 GLU A 36 3.018 21.854 -0.828 1.00 0.00 H new ATOM 574 N LEU A 37 0.550 17.754 -0.311 1.00 0.00 N ATOM 575 CA LEU A 37 -0.212 16.505 -0.326 1.00 0.00 C ATOM 576 C LEU A 37 -1.429 16.564 0.589 1.00 0.00 C ATOM 577 O LEU A 37 -2.563 16.450 0.121 1.00 0.00 O ATOM 578 CB LEU A 37 0.682 15.325 0.098 1.00 0.00 C ATOM 579 CG LEU A 37 1.312 14.596 -1.092 1.00 0.00 C ATOM 580 CD1 LEU A 37 2.523 13.778 -0.633 1.00 0.00 C ATOM 581 CD2 LEU A 37 0.274 13.645 -1.697 1.00 0.00 C ATOM 0 H LEU A 37 1.553 17.601 -0.416 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.561 16.360 -1.348 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.473 15.692 0.753 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.090 14.618 0.679 1.00 0.00 H new ATOM 0 HG LEU A 37 1.635 15.330 -1.830 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.961 13.265 -1.489 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.264 14.443 -0.190 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.206 13.043 0.107 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.712 13.120 -2.546 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.038 12.921 -0.945 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.592 14.217 -2.032 1.00 0.00 H new ATOM 593 N ILE A 38 -1.192 16.727 1.892 1.00 0.00 N ATOM 594 CA ILE A 38 -2.275 16.674 2.860 1.00 0.00 C ATOM 595 C ILE A 38 -3.294 17.784 2.578 1.00 0.00 C ATOM 596 O ILE A 38 -4.486 17.511 2.491 1.00 0.00 O ATOM 597 CB ILE A 38 -1.723 16.639 4.298 1.00 0.00 C ATOM 598 CG1 ILE A 38 -2.817 16.211 5.289 1.00 0.00 C ATOM 599 CG2 ILE A 38 -1.098 17.970 4.729 1.00 0.00 C ATOM 600 CD1 ILE A 38 -2.256 15.868 6.673 1.00 0.00 C ATOM 0 H ILE A 38 -0.269 16.895 2.292 1.00 0.00 H new ATOM 0 HA ILE A 38 -2.829 15.741 2.755 1.00 0.00 H new ATOM 0 HB ILE A 38 -0.923 15.899 4.307 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -3.548 17.013 5.386 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -3.345 15.345 4.890 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -0.727 17.884 5.750 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -0.272 18.217 4.062 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -1.850 18.757 4.681 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -3.071 15.572 7.333 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -1.545 15.047 6.584 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -1.752 16.741 7.088 1.00 0.00 H new ATOM 612 N GLN A 39 -2.840 19.022 2.375 1.00 0.00 N ATOM 613 CA GLN A 39 -3.723 20.157 2.140 1.00 0.00 C ATOM 614 C GLN A 39 -4.537 19.986 0.848 1.00 0.00 C ATOM 615 O GLN A 39 -5.735 20.257 0.823 1.00 0.00 O ATOM 616 CB GLN A 39 -2.860 21.422 2.119 1.00 0.00 C ATOM 617 CG GLN A 39 -3.682 22.712 2.007 1.00 0.00 C ATOM 618 CD GLN A 39 -2.834 23.974 2.174 1.00 0.00 C ATOM 619 OE1 GLN A 39 -1.508 23.865 2.105 1.00 0.00 O flip ATOM 620 NE2 GLN A 39 -3.372 25.056 2.373 1.00 0.00 N flip ATOM 0 H GLN A 39 -1.849 19.262 2.370 1.00 0.00 H new ATOM 0 HA GLN A 39 -4.461 20.231 2.939 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -2.259 21.459 3.028 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -2.166 21.367 1.280 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -4.177 22.739 1.036 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -4.466 22.704 2.764 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -4.389 25.119 2.422 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -2.803 25.895 2.489 1.00 0.00 H new ATOM 629 N LYS A 40 -3.870 19.571 -0.230 1.00 0.00 N ATOM 630 CA LYS A 40 -4.435 19.411 -1.560 1.00 0.00 C ATOM 631 C LYS A 40 -5.484 18.302 -1.526 1.00 0.00 C ATOM 632 O LYS A 40 -6.641 18.509 -1.885 1.00 0.00 O ATOM 633 CB LYS A 40 -3.327 19.036 -2.568 1.00 0.00 C ATOM 634 CG LYS A 40 -2.138 20.009 -2.667 1.00 0.00 C ATOM 635 CD LYS A 40 -2.127 20.862 -3.939 1.00 0.00 C ATOM 636 CE LYS A 40 -3.073 22.050 -3.768 1.00 0.00 C ATOM 637 NZ LYS A 40 -3.105 22.897 -4.973 1.00 0.00 N ATOM 0 H LYS A 40 -2.880 19.328 -0.193 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.893 20.350 -1.871 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.942 18.051 -2.303 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -3.779 18.946 -3.556 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -2.151 20.670 -1.800 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -1.211 19.438 -2.618 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -1.116 21.215 -4.143 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -2.433 20.261 -4.795 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -4.078 21.687 -3.551 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -2.758 22.646 -2.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -3.757 23.693 -4.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -2.151 23.263 -5.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -3.430 22.334 -5.785 1.00 0.00 H new ATOM 651 N GLU A 41 -5.050 17.104 -1.128 1.00 0.00 N ATOM 652 CA GLU A 41 -5.870 15.909 -1.171 1.00 0.00 C ATOM 653 C GLU A 41 -6.844 15.923 0.003 1.00 0.00 C ATOM 654 O GLU A 41 -8.062 15.938 -0.177 1.00 0.00 O ATOM 655 CB GLU A 41 -4.967 14.668 -1.126 1.00 0.00 C ATOM 656 CG GLU A 41 -4.003 14.576 -2.321 1.00 0.00 C ATOM 657 CD GLU A 41 -4.712 14.366 -3.657 1.00 0.00 C ATOM 658 OE1 GLU A 41 -5.793 13.737 -3.643 1.00 0.00 O ATOM 659 OE2 GLU A 41 -4.148 14.822 -4.675 1.00 0.00 O ATOM 0 H GLU A 41 -4.110 16.943 -0.765 1.00 0.00 H new ATOM 0 HA GLU A 41 -6.445 15.881 -2.096 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -4.389 14.680 -0.202 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -5.590 13.774 -1.101 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -3.411 15.490 -2.372 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.307 13.754 -2.154 1.00 0.00 H new ATOM 666 N LEU A 42 -6.313 15.905 1.225 1.00 0.00 N ATOM 667 CA LEU A 42 -7.116 15.808 2.429 1.00 0.00 C ATOM 668 C LEU A 42 -7.584 17.199 2.844 1.00 0.00 C ATOM 669 O LEU A 42 -7.318 17.660 3.952 1.00 0.00 O ATOM 670 CB LEU A 42 -6.343 15.079 3.537 1.00 0.00 C ATOM 671 CG LEU A 42 -6.128 13.592 3.215 1.00 0.00 C ATOM 672 CD1 LEU A 42 -4.963 13.059 4.048 1.00 0.00 C ATOM 673 CD2 LEU A 42 -7.388 12.782 3.536 1.00 0.00 C ATOM 0 H LEU A 42 -5.310 15.958 1.401 1.00 0.00 H new ATOM 0 HA LEU A 42 -8.006 15.210 2.235 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -5.376 15.561 3.680 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -6.887 15.170 4.477 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.907 13.493 2.152 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.807 12.004 3.822 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -4.059 13.619 3.809 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -5.191 13.174 5.108 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -7.215 11.732 3.301 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -7.625 12.883 4.595 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -8.222 13.155 2.941 1.00 0.00 H new ATOM 794 N ASP A 50 -8.028 17.290 15.052 1.00 0.00 N ATOM 795 CA ASP A 50 -6.660 17.572 15.487 1.00 0.00 C ATOM 796 C ASP A 50 -5.564 16.866 14.688 1.00 0.00 C ATOM 797 O ASP A 50 -4.587 17.502 14.308 1.00 0.00 O ATOM 798 CB ASP A 50 -6.547 17.221 16.971 1.00 0.00 C ATOM 799 CG ASP A 50 -5.166 17.539 17.528 1.00 0.00 C ATOM 800 OD1 ASP A 50 -4.836 18.744 17.573 1.00 0.00 O ATOM 801 OD2 ASP A 50 -4.471 16.569 17.898 1.00 0.00 O ATOM 0 HA ASP A 50 -6.487 18.633 15.306 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -7.301 17.773 17.533 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -6.759 16.161 17.110 1.00 0.00 H new ATOM 806 N ALA A 51 -5.727 15.565 14.443 1.00 0.00 N ATOM 807 CA ALA A 51 -4.832 14.736 13.649 1.00 0.00 C ATOM 808 C ALA A 51 -4.147 15.500 12.509 1.00 0.00 C ATOM 809 O ALA A 51 -2.920 15.551 12.441 1.00 0.00 O ATOM 810 CB ALA A 51 -5.644 13.571 13.084 1.00 0.00 C ATOM 0 H ALA A 51 -6.522 15.042 14.810 1.00 0.00 H new ATOM 0 HA ALA A 51 -4.030 14.386 14.299 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -4.996 12.933 12.484 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -6.066 12.990 13.904 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -6.450 13.958 12.461 1.00 0.00 H new ATOM 816 N GLU A 52 -4.944 16.092 11.612 1.00 0.00 N ATOM 817 CA GLU A 52 -4.424 16.764 10.426 1.00 0.00 C ATOM 818 C GLU A 52 -3.607 17.998 10.804 1.00 0.00 C ATOM 819 O GLU A 52 -2.583 18.300 10.189 1.00 0.00 O ATOM 820 CB GLU A 52 -5.588 17.101 9.481 1.00 0.00 C ATOM 821 CG GLU A 52 -5.118 17.878 8.243 1.00 0.00 C ATOM 822 CD GLU A 52 -6.146 17.808 7.121 1.00 0.00 C ATOM 823 OE1 GLU A 52 -6.302 16.692 6.581 1.00 0.00 O ATOM 824 OE2 GLU A 52 -6.762 18.860 6.845 1.00 0.00 O ATOM 0 H GLU A 52 -5.961 16.116 11.691 1.00 0.00 H new ATOM 0 HA GLU A 52 -3.741 16.096 9.901 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -6.078 16.179 9.166 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -6.332 17.690 10.018 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -4.940 18.919 8.511 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -4.169 17.471 7.895 1.00 0.00 H new ATOM 831 N ILE A 53 -4.077 18.713 11.822 1.00 0.00 N ATOM 832 CA ILE A 53 -3.495 19.955 12.280 1.00 0.00 C ATOM 833 C ILE A 53 -2.111 19.617 12.840 1.00 0.00 C ATOM 834 O ILE A 53 -1.108 20.218 12.457 1.00 0.00 O ATOM 835 CB ILE A 53 -4.417 20.614 13.330 1.00 0.00 C ATOM 836 CG1 ILE A 53 -5.876 20.874 12.881 1.00 0.00 C ATOM 837 CG2 ILE A 53 -3.803 21.961 13.738 1.00 0.00 C ATOM 838 CD1 ILE A 53 -6.715 19.653 12.479 1.00 0.00 C ATOM 0 H ILE A 53 -4.896 18.430 12.361 1.00 0.00 H new ATOM 0 HA ILE A 53 -3.390 20.679 11.472 1.00 0.00 H new ATOM 0 HB ILE A 53 -4.480 19.896 14.147 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -6.393 21.387 13.692 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -5.852 21.560 12.035 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -4.441 22.442 14.480 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.813 21.796 14.163 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -3.719 22.603 12.861 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -7.714 19.978 12.187 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -6.239 19.145 11.640 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -6.789 18.968 13.324 1.00 0.00 H new ATOM 850 N VAL A 54 -2.057 18.612 13.719 1.00 0.00 N ATOM 851 CA VAL A 54 -0.809 18.099 14.253 1.00 0.00 C ATOM 852 C VAL A 54 0.101 17.687 13.103 1.00 0.00 C ATOM 853 O VAL A 54 1.223 18.174 13.043 1.00 0.00 O ATOM 854 CB VAL A 54 -1.061 16.957 15.249 1.00 0.00 C ATOM 855 CG1 VAL A 54 0.248 16.299 15.708 1.00 0.00 C ATOM 856 CG2 VAL A 54 -1.766 17.529 16.480 1.00 0.00 C ATOM 0 H VAL A 54 -2.885 18.135 14.076 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.303 18.883 14.816 1.00 0.00 H new ATOM 0 HB VAL A 54 -1.670 16.203 14.750 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.025 15.497 16.411 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.772 15.889 14.844 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.878 17.043 16.195 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -1.952 16.729 17.197 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.135 18.290 16.940 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -2.714 17.976 16.181 1.00 0.00 H new ATOM 866 N LYS A 55 -0.367 16.827 12.192 1.00 0.00 N ATOM 867 CA LYS A 55 0.427 16.386 11.048 1.00 0.00 C ATOM 868 C LYS A 55 1.077 17.580 10.343 1.00 0.00 C ATOM 869 O LYS A 55 2.296 17.601 10.179 1.00 0.00 O ATOM 870 CB LYS A 55 -0.424 15.556 10.072 1.00 0.00 C ATOM 871 CG LYS A 55 -0.060 14.064 10.035 1.00 0.00 C ATOM 872 CD LYS A 55 -0.514 13.243 11.253 1.00 0.00 C ATOM 873 CE LYS A 55 0.330 13.397 12.525 1.00 0.00 C ATOM 874 NZ LYS A 55 1.757 13.110 12.288 1.00 0.00 N ATOM 0 H LYS A 55 -1.302 16.421 12.229 1.00 0.00 H new ATOM 0 HA LYS A 55 1.225 15.743 11.418 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -1.474 15.656 10.347 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -0.316 15.970 9.070 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -0.496 13.623 9.138 1.00 0.00 H new ATOM 0 HG3 LYS A 55 1.022 13.974 9.941 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -1.542 13.519 11.488 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -0.522 12.190 10.973 1.00 0.00 H new ATOM 0 HE2 LYS A 55 0.225 14.412 12.908 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -0.051 12.725 13.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 2.151 12.607 13.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 1.856 12.518 11.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 2.272 14.003 12.149 1.00 0.00 H new ATOM 888 N LEU A 56 0.273 18.572 9.947 1.00 0.00 N ATOM 889 CA LEU A 56 0.755 19.737 9.214 1.00 0.00 C ATOM 890 C LEU A 56 1.940 20.410 9.912 1.00 0.00 C ATOM 891 O LEU A 56 2.903 20.787 9.246 1.00 0.00 O ATOM 892 CB LEU A 56 -0.393 20.735 8.997 1.00 0.00 C ATOM 893 CG LEU A 56 -1.223 20.409 7.746 1.00 0.00 C ATOM 894 CD1 LEU A 56 -2.588 21.097 7.838 1.00 0.00 C ATOM 895 CD2 LEU A 56 -0.502 20.896 6.479 1.00 0.00 C ATOM 0 H LEU A 56 -0.731 18.586 10.128 1.00 0.00 H new ATOM 0 HA LEU A 56 1.115 19.393 8.245 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.043 20.733 9.872 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.016 21.741 8.906 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.353 19.328 7.691 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -3.174 20.863 6.949 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -3.115 20.742 8.724 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -2.448 22.176 7.907 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.104 20.657 5.603 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.356 21.975 6.535 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.467 20.403 6.399 1.00 0.00 H new ATOM 907 N MET A 57 1.874 20.569 11.235 1.00 0.00 N ATOM 908 CA MET A 57 2.934 21.201 12.011 1.00 0.00 C ATOM 909 C MET A 57 4.085 20.217 12.240 1.00 0.00 C ATOM 910 O MET A 57 5.207 20.469 11.801 1.00 0.00 O ATOM 911 CB MET A 57 2.346 21.766 13.317 1.00 0.00 C ATOM 912 CG MET A 57 2.111 23.286 13.254 1.00 0.00 C ATOM 913 SD MET A 57 1.450 24.039 11.734 1.00 0.00 S ATOM 914 CE MET A 57 -0.184 23.289 11.605 1.00 0.00 C ATOM 0 H MET A 57 1.080 20.261 11.797 1.00 0.00 H new ATOM 0 HA MET A 57 3.357 22.041 11.460 1.00 0.00 H new ATOM 0 HB2 MET A 57 1.402 21.265 13.532 1.00 0.00 H new ATOM 0 HB3 MET A 57 3.022 21.541 14.142 1.00 0.00 H new ATOM 0 HG2 MET A 57 1.431 23.543 14.066 1.00 0.00 H new ATOM 0 HG3 MET A 57 3.063 23.771 13.469 1.00 0.00 H new ATOM 0 HE1 MET A 57 -0.749 23.782 10.814 1.00 0.00 H new ATOM 0 HE2 MET A 57 -0.081 22.229 11.371 1.00 0.00 H new ATOM 0 HE3 MET A 57 -0.712 23.402 12.552 1.00 0.00 H new ATOM 924 N ASP A 58 3.787 19.085 12.888 1.00 0.00 N ATOM 925 CA ASP A 58 4.693 17.967 13.163 1.00 0.00 C ATOM 926 C ASP A 58 5.613 17.677 11.981 1.00 0.00 C ATOM 927 O ASP A 58 6.790 17.379 12.175 1.00 0.00 O ATOM 928 CB ASP A 58 3.879 16.714 13.504 1.00 0.00 C ATOM 929 CG ASP A 58 4.769 15.483 13.656 1.00 0.00 C ATOM 930 OD1 ASP A 58 5.584 15.484 14.601 1.00 0.00 O ATOM 931 OD2 ASP A 58 4.613 14.566 12.820 1.00 0.00 O ATOM 0 H ASP A 58 2.851 18.916 13.256 1.00 0.00 H new ATOM 0 HA ASP A 58 5.319 18.247 14.010 1.00 0.00 H new ATOM 0 HB2 ASP A 58 3.327 16.880 14.429 1.00 0.00 H new ATOM 0 HB3 ASP A 58 3.142 16.535 12.721 1.00 0.00 H new ATOM 936 N ASP A 59 5.076 17.814 10.766 1.00 0.00 N ATOM 937 CA ASP A 59 5.806 17.732 9.513 1.00 0.00 C ATOM 938 C ASP A 59 7.198 18.350 9.637 1.00 0.00 C ATOM 939 O ASP A 59 8.192 17.666 9.418 1.00 0.00 O ATOM 940 CB ASP A 59 4.996 18.498 8.460 1.00 0.00 C ATOM 941 CG ASP A 59 5.453 18.224 7.040 1.00 0.00 C ATOM 942 OD1 ASP A 59 6.667 18.356 6.778 1.00 0.00 O ATOM 943 OD2 ASP A 59 4.556 17.910 6.232 1.00 0.00 O ATOM 0 H ASP A 59 4.081 17.992 10.631 1.00 0.00 H new ATOM 0 HA ASP A 59 5.936 16.687 9.233 1.00 0.00 H new ATOM 0 HB2 ASP A 59 3.944 18.230 8.554 1.00 0.00 H new ATOM 0 HB3 ASP A 59 5.072 19.567 8.659 1.00 0.00 H new ATOM 948 N LEU A 60 7.291 19.625 10.027 1.00 0.00 N ATOM 949 CA LEU A 60 8.575 20.316 10.050 1.00 0.00 C ATOM 950 C LEU A 60 9.527 19.706 11.084 1.00 0.00 C ATOM 951 O LEU A 60 10.742 19.735 10.903 1.00 0.00 O ATOM 952 CB LEU A 60 8.374 21.829 10.231 1.00 0.00 C ATOM 953 CG LEU A 60 7.934 22.257 11.644 1.00 0.00 C ATOM 954 CD1 LEU A 60 9.128 22.717 12.491 1.00 0.00 C ATOM 955 CD2 LEU A 60 6.918 23.400 11.555 1.00 0.00 C ATOM 0 H LEU A 60 6.498 20.192 10.328 1.00 0.00 H new ATOM 0 HA LEU A 60 9.060 20.176 9.084 1.00 0.00 H new ATOM 0 HB2 LEU A 60 9.307 22.337 9.987 1.00 0.00 H new ATOM 0 HB3 LEU A 60 7.627 22.171 9.514 1.00 0.00 H new ATOM 0 HG LEU A 60 7.481 21.389 12.123 1.00 0.00 H new ATOM 0 HD11 LEU A 60 8.780 23.011 13.481 1.00 0.00 H new ATOM 0 HD12 LEU A 60 9.843 21.900 12.586 1.00 0.00 H new ATOM 0 HD13 LEU A 60 9.610 23.567 12.008 1.00 0.00 H new ATOM 0 HD21 LEU A 60 6.613 23.695 12.559 1.00 0.00 H new ATOM 0 HD22 LEU A 60 7.372 24.252 11.049 1.00 0.00 H new ATOM 0 HD23 LEU A 60 6.045 23.068 10.994 1.00 0.00 H new ATOM 967 N ASP A 61 8.976 19.163 12.174 1.00 0.00 N ATOM 968 CA ASP A 61 9.751 18.641 13.288 1.00 0.00 C ATOM 969 C ASP A 61 10.232 17.230 12.988 1.00 0.00 C ATOM 970 O ASP A 61 11.336 16.878 13.387 1.00 0.00 O ATOM 971 CB ASP A 61 8.910 18.653 14.571 1.00 0.00 C ATOM 972 CG ASP A 61 8.404 20.049 14.915 1.00 0.00 C ATOM 973 OD1 ASP A 61 9.224 20.841 15.427 1.00 0.00 O ATOM 974 OD2 ASP A 61 7.206 20.298 14.654 1.00 0.00 O ATOM 0 H ASP A 61 7.968 19.076 12.302 1.00 0.00 H new ATOM 0 HA ASP A 61 10.622 19.280 13.433 1.00 0.00 H new ATOM 0 HB2 ASP A 61 8.061 17.980 14.453 1.00 0.00 H new ATOM 0 HB3 ASP A 61 9.508 18.271 15.399 1.00 0.00 H new ATOM 979 N ARG A 62 9.429 16.407 12.308 1.00 0.00 N ATOM 980 CA ARG A 62 9.912 15.100 11.887 1.00 0.00 C ATOM 981 C ARG A 62 10.861 15.267 10.696 1.00 0.00 C ATOM 982 O ARG A 62 11.952 14.699 10.687 1.00 0.00 O ATOM 983 CB ARG A 62 8.761 14.106 11.667 1.00 0.00 C ATOM 984 CG ARG A 62 8.068 14.217 10.307 1.00 0.00 C ATOM 985 CD ARG A 62 6.994 13.138 10.166 1.00 0.00 C ATOM 986 NE ARG A 62 6.595 13.012 8.759 1.00 0.00 N ATOM 987 CZ ARG A 62 6.179 11.879 8.177 1.00 0.00 C ATOM 988 NH1 ARG A 62 5.957 10.768 8.886 1.00 0.00 N ATOM 989 NH2 ARG A 62 5.976 11.845 6.861 1.00 0.00 N ATOM 0 H ARG A 62 8.467 16.619 12.045 1.00 0.00 H new ATOM 0 HA ARG A 62 10.496 14.644 12.686 1.00 0.00 H new ATOM 0 HB2 ARG A 62 9.148 13.093 11.780 1.00 0.00 H new ATOM 0 HB3 ARG A 62 8.018 14.253 12.451 1.00 0.00 H new ATOM 0 HG2 ARG A 62 7.617 15.204 10.201 1.00 0.00 H new ATOM 0 HG3 ARG A 62 8.802 14.115 9.508 1.00 0.00 H new ATOM 0 HD2 ARG A 62 7.374 12.184 10.532 1.00 0.00 H new ATOM 0 HD3 ARG A 62 6.128 13.392 10.777 1.00 0.00 H new ATOM 0 HE ARG A 62 6.638 13.851 8.180 1.00 0.00 H new ATOM 0 HH11 ARG A 62 6.104 10.769 9.895 1.00 0.00 H new ATOM 0 HH12 ARG A 62 5.641 9.919 8.418 1.00 0.00 H new ATOM 0 HH21 ARG A 62 6.137 12.680 6.298 1.00 0.00 H new ATOM 0 HH22 ARG A 62 5.659 10.984 6.416 1.00 0.00 H new ATOM 1068 N GLU A 67 13.376 15.924 3.941 1.00 0.00 N ATOM 1069 CA GLU A 67 12.693 14.841 3.246 1.00 0.00 C ATOM 1070 C GLU A 67 12.294 13.686 4.164 1.00 0.00 C ATOM 1071 O GLU A 67 12.861 13.505 5.239 1.00 0.00 O ATOM 1072 CB GLU A 67 13.533 14.329 2.069 1.00 0.00 C ATOM 1073 CG GLU A 67 13.837 15.436 1.052 1.00 0.00 C ATOM 1074 CD GLU A 67 14.157 14.855 -0.322 1.00 0.00 C ATOM 1075 OE1 GLU A 67 13.197 14.378 -0.968 1.00 0.00 O ATOM 1076 OE2 GLU A 67 15.350 14.885 -0.692 1.00 0.00 O ATOM 0 HA GLU A 67 11.765 15.266 2.865 1.00 0.00 H new ATOM 0 HB2 GLU A 67 14.469 13.916 2.445 1.00 0.00 H new ATOM 0 HB3 GLU A 67 13.003 13.517 1.572 1.00 0.00 H new ATOM 0 HG2 GLU A 67 12.981 16.107 0.975 1.00 0.00 H new ATOM 0 HG3 GLU A 67 14.679 16.033 1.402 1.00 0.00 H new ATOM 1083 N VAL A 68 11.327 12.891 3.692 1.00 0.00 N ATOM 1084 CA VAL A 68 10.913 11.611 4.254 1.00 0.00 C ATOM 1085 C VAL A 68 10.775 10.617 3.101 1.00 0.00 C ATOM 1086 O VAL A 68 10.625 11.041 1.954 1.00 0.00 O ATOM 1087 CB VAL A 68 9.576 11.747 4.999 1.00 0.00 C ATOM 1088 CG1 VAL A 68 9.741 12.522 6.308 1.00 0.00 C ATOM 1089 CG2 VAL A 68 8.470 12.338 4.120 1.00 0.00 C ATOM 0 H VAL A 68 10.787 13.141 2.864 1.00 0.00 H new ATOM 0 HA VAL A 68 11.655 11.264 4.973 1.00 0.00 H new ATOM 0 HB VAL A 68 9.255 10.737 5.254 1.00 0.00 H new ATOM 0 HG11 VAL A 68 8.776 12.599 6.809 1.00 0.00 H new ATOM 0 HG12 VAL A 68 10.445 11.998 6.955 1.00 0.00 H new ATOM 0 HG13 VAL A 68 10.120 13.521 6.094 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.548 12.412 4.696 1.00 0.00 H new ATOM 0 HG22 VAL A 68 8.766 13.331 3.781 1.00 0.00 H new ATOM 0 HG23 VAL A 68 8.308 11.693 3.257 1.00 0.00 H new ATOM 1099 N ASN A 69 10.820 9.312 3.401 1.00 0.00 N ATOM 1100 CA ASN A 69 10.614 8.249 2.420 1.00 0.00 C ATOM 1101 C ASN A 69 9.147 7.831 2.344 1.00 0.00 C ATOM 1102 O ASN A 69 8.333 8.255 3.162 1.00 0.00 O ATOM 1103 CB ASN A 69 11.522 7.039 2.704 1.00 0.00 C ATOM 1104 CG ASN A 69 10.825 5.941 3.511 1.00 0.00 C ATOM 1105 OD1 ASN A 69 10.267 6.200 4.574 1.00 0.00 O ATOM 1106 ND2 ASN A 69 10.804 4.711 3.003 1.00 0.00 N ATOM 0 H ASN A 69 11.003 8.966 4.343 1.00 0.00 H new ATOM 0 HA ASN A 69 10.892 8.651 1.445 1.00 0.00 H new ATOM 0 HB2 ASN A 69 11.868 6.622 1.758 1.00 0.00 H new ATOM 0 HB3 ASN A 69 12.406 7.375 3.247 1.00 0.00 H new ATOM 0 HD21 ASN A 69 10.318 3.963 3.498 1.00 0.00 H new ATOM 0 HD22 ASN A 69 11.274 4.516 2.119 1.00 0.00 H new ATOM 1113 N PHE A 70 8.841 6.948 1.390 1.00 0.00 N ATOM 1114 CA PHE A 70 7.534 6.328 1.233 1.00 0.00 C ATOM 1115 C PHE A 70 6.916 5.896 2.568 1.00 0.00 C ATOM 1116 O PHE A 70 5.879 6.433 2.941 1.00 0.00 O ATOM 1117 CB PHE A 70 7.611 5.177 0.222 1.00 0.00 C ATOM 1118 CG PHE A 70 6.290 4.489 -0.056 1.00 0.00 C ATOM 1119 CD1 PHE A 70 5.213 5.226 -0.586 1.00 0.00 C ATOM 1120 CD2 PHE A 70 6.152 3.102 0.145 1.00 0.00 C ATOM 1121 CE1 PHE A 70 4.004 4.585 -0.904 1.00 0.00 C ATOM 1122 CE2 PHE A 70 4.941 2.463 -0.173 1.00 0.00 C ATOM 1123 CZ PHE A 70 3.864 3.204 -0.688 1.00 0.00 C ATOM 0 H PHE A 70 9.516 6.640 0.690 1.00 0.00 H new ATOM 0 HA PHE A 70 6.855 7.082 0.835 1.00 0.00 H new ATOM 0 HB2 PHE A 70 8.009 5.562 -0.717 1.00 0.00 H new ATOM 0 HB3 PHE A 70 8.321 4.436 0.589 1.00 0.00 H new ATOM 0 HD1 PHE A 70 5.317 6.289 -0.749 1.00 0.00 H new ATOM 0 HD2 PHE A 70 6.976 2.529 0.543 1.00 0.00 H new ATOM 0 HE1 PHE A 70 3.183 5.154 -1.314 1.00 0.00 H new ATOM 0 HE2 PHE A 70 4.838 1.399 -0.021 1.00 0.00 H new ATOM 0 HZ PHE A 70 2.930 2.713 -0.917 1.00 0.00 H new ATOM 1133 N GLN A 71 7.510 4.956 3.316 1.00 0.00 N ATOM 1134 CA GLN A 71 6.854 4.501 4.547 1.00 0.00 C ATOM 1135 C GLN A 71 6.685 5.641 5.552 1.00 0.00 C ATOM 1136 O GLN A 71 5.680 5.676 6.251 1.00 0.00 O ATOM 1137 CB GLN A 71 7.510 3.265 5.184 1.00 0.00 C ATOM 1138 CG GLN A 71 6.854 2.837 6.525 1.00 0.00 C ATOM 1139 CD GLN A 71 5.332 2.644 6.508 1.00 0.00 C ATOM 1140 OE1 GLN A 71 4.623 3.077 7.414 1.00 0.00 O ATOM 1141 NE2 GLN A 71 4.803 1.972 5.491 1.00 0.00 N ATOM 0 H GLN A 71 8.404 4.513 3.103 1.00 0.00 H new ATOM 0 HA GLN A 71 5.860 4.173 4.244 1.00 0.00 H new ATOM 0 HB2 GLN A 71 7.458 2.433 4.481 1.00 0.00 H new ATOM 0 HB3 GLN A 71 8.566 3.472 5.355 1.00 0.00 H new ATOM 0 HG2 GLN A 71 7.313 1.903 6.847 1.00 0.00 H new ATOM 0 HG3 GLN A 71 7.095 3.587 7.278 1.00 0.00 H new ATOM 0 HE21 GLN A 71 5.403 1.618 4.746 1.00 0.00 H new ATOM 0 HE22 GLN A 71 3.797 1.810 5.455 1.00 0.00 H new ATOM 1150 N GLU A 72 7.619 6.585 5.646 1.00 0.00 N ATOM 1151 CA GLU A 72 7.410 7.739 6.510 1.00 0.00 C ATOM 1152 C GLU A 72 6.218 8.586 6.033 1.00 0.00 C ATOM 1153 O GLU A 72 5.408 9.030 6.848 1.00 0.00 O ATOM 1154 CB GLU A 72 8.702 8.548 6.634 1.00 0.00 C ATOM 1155 CG GLU A 72 9.732 7.862 7.544 1.00 0.00 C ATOM 1156 CD GLU A 72 9.281 7.761 9.002 1.00 0.00 C ATOM 1157 OE1 GLU A 72 8.493 8.636 9.427 1.00 0.00 O ATOM 1158 OE2 GLU A 72 9.735 6.805 9.667 1.00 0.00 O ATOM 0 H GLU A 72 8.508 6.574 5.146 1.00 0.00 H new ATOM 0 HA GLU A 72 7.151 7.390 7.509 1.00 0.00 H new ATOM 0 HB2 GLU A 72 9.134 8.693 5.644 1.00 0.00 H new ATOM 0 HB3 GLU A 72 8.472 9.537 7.030 1.00 0.00 H new ATOM 0 HG2 GLU A 72 9.933 6.861 7.163 1.00 0.00 H new ATOM 0 HG3 GLU A 72 10.671 8.414 7.499 1.00 0.00 H new ATOM 1165 N TYR A 73 6.065 8.801 4.724 1.00 0.00 N ATOM 1166 CA TYR A 73 4.853 9.404 4.171 1.00 0.00 C ATOM 1167 C TYR A 73 3.626 8.597 4.618 1.00 0.00 C ATOM 1168 O TYR A 73 2.685 9.150 5.186 1.00 0.00 O ATOM 1169 CB TYR A 73 4.956 9.534 2.640 1.00 0.00 C ATOM 1170 CG TYR A 73 3.659 9.329 1.871 1.00 0.00 C ATOM 1171 CD1 TYR A 73 2.730 10.378 1.733 1.00 0.00 C ATOM 1172 CD2 TYR A 73 3.394 8.086 1.265 1.00 0.00 C ATOM 1173 CE1 TYR A 73 1.574 10.196 0.952 1.00 0.00 C ATOM 1174 CE2 TYR A 73 2.218 7.893 0.522 1.00 0.00 C ATOM 1175 CZ TYR A 73 1.330 8.961 0.326 1.00 0.00 C ATOM 1176 OH TYR A 73 0.249 8.811 -0.491 1.00 0.00 O ATOM 0 H TYR A 73 6.770 8.565 4.026 1.00 0.00 H new ATOM 0 HA TYR A 73 4.739 10.417 4.557 1.00 0.00 H new ATOM 0 HB2 TYR A 73 5.344 10.525 2.403 1.00 0.00 H new ATOM 0 HB3 TYR A 73 5.688 8.811 2.281 1.00 0.00 H new ATOM 0 HD1 TYR A 73 2.905 11.322 2.227 1.00 0.00 H new ATOM 0 HD2 TYR A 73 4.100 7.276 1.372 1.00 0.00 H new ATOM 0 HE1 TYR A 73 0.872 11.008 0.833 1.00 0.00 H new ATOM 0 HE2 TYR A 73 1.997 6.923 0.102 1.00 0.00 H new ATOM 0 HH TYR A 73 0.403 8.061 -1.103 1.00 0.00 H new ATOM 1186 N ILE A 74 3.652 7.279 4.413 1.00 0.00 N ATOM 1187 CA ILE A 74 2.589 6.391 4.858 1.00 0.00 C ATOM 1188 C ILE A 74 2.365 6.546 6.368 1.00 0.00 C ATOM 1189 O ILE A 74 1.230 6.478 6.821 1.00 0.00 O ATOM 1190 CB ILE A 74 2.890 4.931 4.475 1.00 0.00 C ATOM 1191 CG1 ILE A 74 3.043 4.674 2.963 1.00 0.00 C ATOM 1192 CG2 ILE A 74 1.812 4.007 5.033 1.00 0.00 C ATOM 1193 CD1 ILE A 74 1.734 4.757 2.174 1.00 0.00 C ATOM 0 H ILE A 74 4.414 6.801 3.932 1.00 0.00 H new ATOM 0 HA ILE A 74 1.666 6.672 4.350 1.00 0.00 H new ATOM 0 HB ILE A 74 3.862 4.718 4.919 1.00 0.00 H new ATOM 0 HG12 ILE A 74 3.747 5.398 2.553 1.00 0.00 H new ATOM 0 HG13 ILE A 74 3.480 3.686 2.817 1.00 0.00 H new ATOM 0 HG21 ILE A 74 2.036 2.977 4.755 1.00 0.00 H new ATOM 0 HG22 ILE A 74 1.786 4.093 6.119 1.00 0.00 H new ATOM 0 HG23 ILE A 74 0.842 4.290 4.624 1.00 0.00 H new ATOM 0 HD11 ILE A 74 1.932 4.564 1.120 1.00 0.00 H new ATOM 0 HD12 ILE A 74 1.033 4.014 2.554 1.00 0.00 H new ATOM 0 HD13 ILE A 74 1.304 5.752 2.286 1.00 0.00 H new ATOM 1205 N THR A 75 3.415 6.765 7.160 1.00 0.00 N ATOM 1206 CA THR A 75 3.309 6.988 8.595 1.00 0.00 C ATOM 1207 C THR A 75 2.608 8.312 8.883 1.00 0.00 C ATOM 1208 O THR A 75 1.844 8.391 9.837 1.00 0.00 O ATOM 1209 CB THR A 75 4.681 6.860 9.274 1.00 0.00 C ATOM 1210 OG1 THR A 75 5.244 5.598 8.971 1.00 0.00 O ATOM 1211 CG2 THR A 75 4.577 6.960 10.798 1.00 0.00 C ATOM 0 H THR A 75 4.374 6.792 6.814 1.00 0.00 H new ATOM 0 HA THR A 75 2.684 6.209 9.033 1.00 0.00 H new ATOM 0 HB THR A 75 5.299 7.676 8.901 1.00 0.00 H new ATOM 0 HG1 THR A 75 5.459 5.556 8.016 1.00 0.00 H new ATOM 0 HG21 THR A 75 5.570 6.864 11.238 1.00 0.00 H new ATOM 0 HG22 THR A 75 4.151 7.925 11.071 1.00 0.00 H new ATOM 0 HG23 THR A 75 3.936 6.162 11.172 1.00 0.00 H new ATOM 1219 N PHE A 76 2.808 9.336 8.050 1.00 0.00 N ATOM 1220 CA PHE A 76 2.013 10.560 8.126 1.00 0.00 C ATOM 1221 C PHE A 76 0.525 10.189 8.058 1.00 0.00 C ATOM 1222 O PHE A 76 -0.260 10.523 8.946 1.00 0.00 O ATOM 1223 CB PHE A 76 2.414 11.510 6.984 1.00 0.00 C ATOM 1224 CG PHE A 76 2.256 12.993 7.254 1.00 0.00 C ATOM 1225 CD1 PHE A 76 3.116 13.626 8.171 1.00 0.00 C ATOM 1226 CD2 PHE A 76 1.433 13.775 6.419 1.00 0.00 C ATOM 1227 CE1 PHE A 76 3.146 15.027 8.263 1.00 0.00 C ATOM 1228 CE2 PHE A 76 1.475 15.178 6.502 1.00 0.00 C ATOM 1229 CZ PHE A 76 2.321 15.803 7.431 1.00 0.00 C ATOM 0 H PHE A 76 3.515 9.340 7.315 1.00 0.00 H new ATOM 0 HA PHE A 76 2.198 11.078 9.067 1.00 0.00 H new ATOM 0 HB2 PHE A 76 3.457 11.318 6.730 1.00 0.00 H new ATOM 0 HB3 PHE A 76 1.820 11.258 6.105 1.00 0.00 H new ATOM 0 HD1 PHE A 76 3.756 13.032 8.807 1.00 0.00 H new ATOM 0 HD2 PHE A 76 0.769 13.296 5.714 1.00 0.00 H new ATOM 0 HE1 PHE A 76 3.803 15.508 8.973 1.00 0.00 H new ATOM 0 HE2 PHE A 76 0.855 15.776 5.850 1.00 0.00 H new ATOM 0 HZ PHE A 76 2.338 16.880 7.507 1.00 0.00 H new ATOM 1239 N LEU A 77 0.154 9.449 7.008 1.00 0.00 N ATOM 1240 CA LEU A 77 -1.225 9.037 6.765 1.00 0.00 C ATOM 1241 C LEU A 77 -1.749 8.104 7.864 1.00 0.00 C ATOM 1242 O LEU A 77 -2.897 8.212 8.284 1.00 0.00 O ATOM 1243 CB LEU A 77 -1.343 8.353 5.396 1.00 0.00 C ATOM 1244 CG LEU A 77 -0.841 9.194 4.210 1.00 0.00 C ATOM 1245 CD1 LEU A 77 -1.119 8.413 2.923 1.00 0.00 C ATOM 1246 CD2 LEU A 77 -1.507 10.573 4.136 1.00 0.00 C ATOM 0 H LEU A 77 0.810 9.119 6.300 1.00 0.00 H new ATOM 0 HA LEU A 77 -1.839 9.937 6.775 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.783 7.418 5.423 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.388 8.094 5.224 1.00 0.00 H new ATOM 0 HG LEU A 77 0.226 9.372 4.343 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.772 8.989 2.065 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.594 7.459 2.956 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.190 8.234 2.830 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.114 11.121 3.280 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.584 10.451 4.025 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.297 11.128 5.050 1.00 0.00 H new ATOM 1258 N GLY A 78 -0.924 7.166 8.317 1.00 0.00 N ATOM 1259 CA GLY A 78 -1.294 6.167 9.302 1.00 0.00 C ATOM 1260 C GLY A 78 -1.480 6.813 10.671 1.00 0.00 C ATOM 1261 O GLY A 78 -2.458 6.547 11.362 1.00 0.00 O ATOM 0 H GLY A 78 0.042 7.081 8.000 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -2.216 5.672 8.998 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -0.523 5.399 9.357 1.00 0.00 H new ATOM 1265 N ALA A 79 -0.559 7.696 11.055 1.00 0.00 N ATOM 1266 CA ALA A 79 -0.669 8.474 12.276 1.00 0.00 C ATOM 1267 C ALA A 79 -1.921 9.349 12.220 1.00 0.00 C ATOM 1268 O ALA A 79 -2.724 9.331 13.147 1.00 0.00 O ATOM 1269 CB ALA A 79 0.606 9.297 12.469 1.00 0.00 C ATOM 0 H ALA A 79 0.288 7.889 10.520 1.00 0.00 H new ATOM 0 HA ALA A 79 -0.772 7.815 13.138 1.00 0.00 H new ATOM 0 HB1 ALA A 79 0.526 9.882 13.385 1.00 0.00 H new ATOM 0 HB2 ALA A 79 1.464 8.628 12.539 1.00 0.00 H new ATOM 0 HB3 ALA A 79 0.738 9.968 11.620 1.00 0.00 H new ATOM 1275 N LEU A 80 -2.110 10.087 11.119 1.00 0.00 N ATOM 1276 CA LEU A 80 -3.320 10.867 10.874 1.00 0.00 C ATOM 1277 C LEU A 80 -4.560 10.004 11.129 1.00 0.00 C ATOM 1278 O LEU A 80 -5.404 10.321 11.975 1.00 0.00 O ATOM 1279 CB LEU A 80 -3.286 11.377 9.422 1.00 0.00 C ATOM 1280 CG LEU A 80 -4.579 12.061 8.956 1.00 0.00 C ATOM 1281 CD1 LEU A 80 -4.582 13.513 9.417 1.00 0.00 C ATOM 1282 CD2 LEU A 80 -4.677 12.017 7.432 1.00 0.00 C ATOM 0 H LEU A 80 -1.420 10.157 10.371 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.366 11.719 11.552 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.460 12.080 9.317 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.076 10.537 8.760 1.00 0.00 H new ATOM 0 HG LEU A 80 -5.431 11.535 9.386 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -5.500 13.998 9.086 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -4.524 13.549 10.505 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.723 14.032 8.991 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -5.598 12.505 7.112 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.822 12.535 6.997 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -4.681 10.980 7.097 1.00 0.00 H new ATOM 1294 N ALA A 81 -4.645 8.905 10.374 1.00 0.00 N ATOM 1295 CA ALA A 81 -5.721 7.938 10.440 1.00 0.00 C ATOM 1296 C ALA A 81 -5.975 7.518 11.880 1.00 0.00 C ATOM 1297 O ALA A 81 -7.113 7.577 12.335 1.00 0.00 O ATOM 1298 CB ALA A 81 -5.372 6.724 9.580 1.00 0.00 C ATOM 0 H ALA A 81 -3.938 8.665 9.679 1.00 0.00 H new ATOM 0 HA ALA A 81 -6.633 8.395 10.056 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -6.183 5.997 9.631 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -5.231 7.039 8.546 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -4.453 6.269 9.949 1.00 0.00 H new ATOM 1304 N MET A 82 -4.929 7.081 12.580 1.00 0.00 N ATOM 1305 CA MET A 82 -5.035 6.553 13.926 1.00 0.00 C ATOM 1306 C MET A 82 -5.445 7.630 14.931 1.00 0.00 C ATOM 1307 O MET A 82 -6.198 7.333 15.856 1.00 0.00 O ATOM 1308 CB MET A 82 -3.731 5.838 14.296 1.00 0.00 C ATOM 1309 CG MET A 82 -3.780 5.242 15.709 1.00 0.00 C ATOM 1310 SD MET A 82 -2.825 3.722 15.946 1.00 0.00 S ATOM 1311 CE MET A 82 -1.176 4.268 15.459 1.00 0.00 C ATOM 0 H MET A 82 -3.976 7.087 12.218 1.00 0.00 H new ATOM 0 HA MET A 82 -5.838 5.816 13.962 1.00 0.00 H new ATOM 0 HB2 MET A 82 -3.536 5.044 13.575 1.00 0.00 H new ATOM 0 HB3 MET A 82 -2.901 6.541 14.228 1.00 0.00 H new ATOM 0 HG2 MET A 82 -3.419 5.991 16.413 1.00 0.00 H new ATOM 0 HG3 MET A 82 -4.820 5.040 15.964 1.00 0.00 H new ATOM 0 HE1 MET A 82 -0.466 3.454 15.603 1.00 0.00 H new ATOM 0 HE2 MET A 82 -1.185 4.561 14.409 1.00 0.00 H new ATOM 0 HE3 MET A 82 -0.880 5.120 16.071 1.00 0.00 H new ATOM 1321 N ILE A 83 -4.972 8.871 14.774 1.00 0.00 N ATOM 1322 CA ILE A 83 -5.415 9.940 15.655 1.00 0.00 C ATOM 1323 C ILE A 83 -6.914 10.174 15.461 1.00 0.00 C ATOM 1324 O ILE A 83 -7.658 10.075 16.436 1.00 0.00 O ATOM 1325 CB ILE A 83 -4.583 11.228 15.524 1.00 0.00 C ATOM 1326 CG1 ILE A 83 -3.138 10.992 15.995 1.00 0.00 C ATOM 1327 CG2 ILE A 83 -5.207 12.340 16.394 1.00 0.00 C ATOM 1328 CD1 ILE A 83 -2.224 12.169 15.627 1.00 0.00 C ATOM 0 H ILE A 83 -4.298 9.150 14.061 1.00 0.00 H new ATOM 0 HA ILE A 83 -5.246 9.620 16.683 1.00 0.00 H new ATOM 0 HB ILE A 83 -4.577 11.525 14.475 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -3.126 10.845 17.075 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -2.753 10.077 15.545 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -4.616 13.251 16.299 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -6.227 12.533 16.061 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -5.220 12.022 17.437 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -1.211 11.966 15.976 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -2.216 12.299 14.545 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -2.595 13.079 16.099 1.00 0.00 H new ATOM 1340 N TYR A 84 -7.372 10.518 14.246 1.00 0.00 N ATOM 1341 CA TYR A 84 -8.786 10.863 14.105 1.00 0.00 C ATOM 1342 C TYR A 84 -9.706 9.638 14.247 1.00 0.00 C ATOM 1343 O TYR A 84 -10.731 9.715 14.921 1.00 0.00 O ATOM 1344 CB TYR A 84 -9.102 11.881 12.987 1.00 0.00 C ATOM 1345 CG TYR A 84 -8.643 11.670 11.552 1.00 0.00 C ATOM 1346 CD1 TYR A 84 -8.880 10.456 10.881 1.00 0.00 C ATOM 1347 CD2 TYR A 84 -8.316 12.812 10.795 1.00 0.00 C ATOM 1348 CE1 TYR A 84 -8.719 10.371 9.484 1.00 0.00 C ATOM 1349 CE2 TYR A 84 -8.122 12.725 9.408 1.00 0.00 C ATOM 1350 CZ TYR A 84 -8.333 11.504 8.747 1.00 0.00 C ATOM 1351 OH TYR A 84 -8.232 11.445 7.389 1.00 0.00 O ATOM 0 H TYR A 84 -6.815 10.563 13.393 1.00 0.00 H new ATOM 0 HA TYR A 84 -9.052 11.468 14.972 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -10.186 11.989 12.958 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -8.695 12.839 13.310 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -9.187 9.585 11.440 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -8.213 13.767 11.289 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -8.893 9.433 8.978 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -7.811 13.596 8.850 1.00 0.00 H new ATOM 0 HH TYR A 84 -9.009 10.973 7.023 1.00 0.00 H new ATOM 1361 N ASN A 85 -9.322 8.467 13.724 1.00 0.00 N ATOM 1362 CA ASN A 85 -10.029 7.220 14.025 1.00 0.00 C ATOM 1363 C ASN A 85 -9.518 6.712 15.368 1.00 0.00 C ATOM 1364 O ASN A 85 -8.870 5.667 15.432 1.00 0.00 O ATOM 1365 CB ASN A 85 -9.845 6.132 12.957 1.00 0.00 C ATOM 1366 CG ASN A 85 -10.328 6.545 11.578 1.00 0.00 C ATOM 1367 OD1 ASN A 85 -11.485 6.351 11.221 1.00 0.00 O ATOM 1368 ND2 ASN A 85 -9.422 7.093 10.781 1.00 0.00 N ATOM 0 H ASN A 85 -8.528 8.359 13.093 1.00 0.00 H new ATOM 0 HA ASN A 85 -11.097 7.437 14.048 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -8.789 5.867 12.899 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -10.382 5.236 13.267 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -9.677 7.370 9.833 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -8.469 7.238 11.115 1.00 0.00 H new ATOM 1375 N GLU A 86 -9.838 7.454 16.433 1.00 0.00 N ATOM 1376 CA GLU A 86 -9.382 7.224 17.803 1.00 0.00 C ATOM 1377 C GLU A 86 -9.390 5.744 18.175 1.00 0.00 C ATOM 1378 O GLU A 86 -8.473 5.258 18.831 1.00 0.00 O ATOM 1379 CB GLU A 86 -10.257 8.020 18.778 1.00 0.00 C ATOM 1380 CG GLU A 86 -10.036 9.521 18.578 1.00 0.00 C ATOM 1381 CD GLU A 86 -10.943 10.368 19.463 1.00 0.00 C ATOM 1382 OE1 GLU A 86 -10.924 10.132 20.691 1.00 0.00 O ATOM 1383 OE2 GLU A 86 -11.632 11.242 18.893 1.00 0.00 O ATOM 0 H GLU A 86 -10.449 8.267 16.358 1.00 0.00 H new ATOM 0 HA GLU A 86 -8.349 7.565 17.870 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -11.307 7.775 18.619 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -10.016 7.743 19.804 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -8.995 9.763 18.793 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -10.213 9.775 17.533 1.00 0.00 H new ATOM 1390 N ALA A 87 -10.433 5.039 17.732 1.00 0.00 N ATOM 1391 CA ALA A 87 -10.574 3.599 17.828 1.00 0.00 C ATOM 1392 C ALA A 87 -9.240 2.854 17.684 1.00 0.00 C ATOM 1393 O ALA A 87 -8.869 2.048 18.537 1.00 0.00 O ATOM 1394 CB ALA A 87 -11.553 3.145 16.738 1.00 0.00 C ATOM 0 H ALA A 87 -11.232 5.482 17.279 1.00 0.00 H new ATOM 0 HA ALA A 87 -10.949 3.357 18.823 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -11.677 2.063 16.788 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -12.518 3.629 16.891 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -11.161 3.420 15.759 1.00 0.00 H new ATOM 1400 N LEU A 88 -8.509 3.135 16.601 1.00 0.00 N ATOM 1401 CA LEU A 88 -7.282 2.429 16.255 1.00 0.00 C ATOM 1402 C LEU A 88 -6.191 2.562 17.319 1.00 0.00 C ATOM 1403 O LEU A 88 -5.241 1.790 17.284 1.00 0.00 O ATOM 1404 CB LEU A 88 -6.752 2.922 14.901 1.00 0.00 C ATOM 1405 CG LEU A 88 -7.617 2.511 13.701 1.00 0.00 C ATOM 1406 CD1 LEU A 88 -7.091 3.225 12.452 1.00 0.00 C ATOM 1407 CD2 LEU A 88 -7.563 0.997 13.452 1.00 0.00 C ATOM 0 H LEU A 88 -8.759 3.867 15.936 1.00 0.00 H new ATOM 0 HA LEU A 88 -7.538 1.371 16.194 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -6.678 4.009 14.926 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.743 2.537 14.756 1.00 0.00 H new ATOM 0 HG LEU A 88 -8.649 2.788 13.916 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -7.696 2.943 11.590 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -7.148 4.304 12.598 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -6.054 2.937 12.278 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -8.188 0.747 12.595 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -6.534 0.698 13.251 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -7.928 0.470 14.333 1.00 0.00 H new ATOM 1469 N ALA B 2 -14.526 13.040 2.207 1.00 0.00 N ATOM 1470 CA ALA B 2 -13.786 11.791 2.083 1.00 0.00 C ATOM 1471 C ALA B 2 -13.023 11.767 0.756 1.00 0.00 C ATOM 1472 O ALA B 2 -13.367 11.014 -0.153 1.00 0.00 O ATOM 1473 CB ALA B 2 -14.730 10.593 2.224 1.00 0.00 C ATOM 0 HA ALA B 2 -13.055 11.722 2.889 1.00 0.00 H new ATOM 0 HB1 ALA B 2 -14.161 9.668 2.129 1.00 0.00 H new ATOM 0 HB2 ALA B 2 -15.213 10.623 3.201 1.00 0.00 H new ATOM 0 HB3 ALA B 2 -15.489 10.634 1.443 1.00 0.00 H new ATOM 1479 N SER B 3 -11.988 12.602 0.642 1.00 0.00 N ATOM 1480 CA SER B 3 -11.115 12.653 -0.521 1.00 0.00 C ATOM 1481 C SER B 3 -10.541 11.264 -0.845 1.00 0.00 C ATOM 1482 O SER B 3 -10.478 10.419 0.051 1.00 0.00 O ATOM 1483 CB SER B 3 -9.985 13.640 -0.220 1.00 0.00 C ATOM 1484 OG SER B 3 -10.514 14.850 0.278 1.00 0.00 O ATOM 0 H SER B 3 -11.733 13.270 1.369 1.00 0.00 H new ATOM 0 HA SER B 3 -11.683 12.979 -1.392 1.00 0.00 H new ATOM 0 HB2 SER B 3 -9.299 13.208 0.508 1.00 0.00 H new ATOM 0 HB3 SER B 3 -9.409 13.832 -1.125 1.00 0.00 H new ATOM 0 HG SER B 3 -9.821 15.543 0.258 1.00 0.00 H new ATOM 1490 N PRO B 4 -10.065 11.024 -2.082 1.00 0.00 N ATOM 1491 CA PRO B 4 -9.454 9.764 -2.487 1.00 0.00 C ATOM 1492 C PRO B 4 -8.505 9.181 -1.438 1.00 0.00 C ATOM 1493 O PRO B 4 -8.632 8.011 -1.081 1.00 0.00 O ATOM 1494 CB PRO B 4 -8.754 10.056 -3.815 1.00 0.00 C ATOM 1495 CG PRO B 4 -9.669 11.114 -4.429 1.00 0.00 C ATOM 1496 CD PRO B 4 -10.095 11.941 -3.215 1.00 0.00 C ATOM 0 HA PRO B 4 -10.212 8.988 -2.596 1.00 0.00 H new ATOM 0 HB2 PRO B 4 -7.740 10.428 -3.669 1.00 0.00 H new ATOM 0 HB3 PRO B 4 -8.680 9.167 -4.441 1.00 0.00 H new ATOM 0 HG2 PRO B 4 -9.146 11.721 -5.168 1.00 0.00 H new ATOM 0 HG3 PRO B 4 -10.525 10.665 -4.933 1.00 0.00 H new ATOM 0 HD2 PRO B 4 -9.419 12.781 -3.057 1.00 0.00 H new ATOM 0 HD3 PRO B 4 -11.093 12.357 -3.355 1.00 0.00 H new ATOM 1504 N LEU B 5 -7.585 9.997 -0.908 1.00 0.00 N ATOM 1505 CA LEU B 5 -6.723 9.567 0.188 1.00 0.00 C ATOM 1506 C LEU B 5 -7.537 9.040 1.367 1.00 0.00 C ATOM 1507 O LEU B 5 -7.245 7.962 1.869 1.00 0.00 O ATOM 1508 CB LEU B 5 -5.814 10.704 0.684 1.00 0.00 C ATOM 1509 CG LEU B 5 -4.370 10.669 0.169 1.00 0.00 C ATOM 1510 CD1 LEU B 5 -3.578 11.758 0.908 1.00 0.00 C ATOM 1511 CD2 LEU B 5 -3.674 9.322 0.430 1.00 0.00 C ATOM 0 H LEU B 5 -7.423 10.954 -1.222 1.00 0.00 H new ATOM 0 HA LEU B 5 -6.103 8.765 -0.212 1.00 0.00 H new ATOM 0 HB2 LEU B 5 -6.261 11.655 0.395 1.00 0.00 H new ATOM 0 HB3 LEU B 5 -5.793 10.680 1.774 1.00 0.00 H new ATOM 0 HG LEU B 5 -4.399 10.826 -0.909 1.00 0.00 H new ATOM 0 HD11 LEU B 5 -2.545 11.756 0.560 1.00 0.00 H new ATOM 0 HD12 LEU B 5 -4.026 12.732 0.709 1.00 0.00 H new ATOM 0 HD13 LEU B 5 -3.601 11.560 1.980 1.00 0.00 H new ATOM 0 HD21 LEU B 5 -2.655 9.358 0.044 1.00 0.00 H new ATOM 0 HD22 LEU B 5 -3.649 9.127 1.502 1.00 0.00 H new ATOM 0 HD23 LEU B 5 -4.224 8.525 -0.071 1.00 0.00 H new ATOM 1523 N ASP B 6 -8.529 9.798 1.839 1.00 0.00 N ATOM 1524 CA ASP B 6 -9.292 9.413 3.016 1.00 0.00 C ATOM 1525 C ASP B 6 -10.040 8.109 2.754 1.00 0.00 C ATOM 1526 O ASP B 6 -10.086 7.243 3.620 1.00 0.00 O ATOM 1527 CB ASP B 6 -10.255 10.523 3.445 1.00 0.00 C ATOM 1528 CG ASP B 6 -10.875 10.200 4.801 1.00 0.00 C ATOM 1529 OD1 ASP B 6 -10.117 10.242 5.797 1.00 0.00 O ATOM 1530 OD2 ASP B 6 -12.093 9.920 4.814 1.00 0.00 O ATOM 0 H ASP B 6 -8.819 10.682 1.420 1.00 0.00 H new ATOM 0 HA ASP B 6 -8.594 9.254 3.838 1.00 0.00 H new ATOM 0 HB2 ASP B 6 -9.723 11.473 3.499 1.00 0.00 H new ATOM 0 HB3 ASP B 6 -11.040 10.640 2.698 1.00 0.00 H new ATOM 1535 N GLN B 7 -10.603 7.954 1.554 1.00 0.00 N ATOM 1536 CA GLN B 7 -11.273 6.719 1.173 1.00 0.00 C ATOM 1537 C GLN B 7 -10.282 5.546 1.133 1.00 0.00 C ATOM 1538 O GLN B 7 -10.582 4.465 1.638 1.00 0.00 O ATOM 1539 CB GLN B 7 -12.000 6.918 -0.163 1.00 0.00 C ATOM 1540 CG GLN B 7 -12.724 5.661 -0.671 1.00 0.00 C ATOM 1541 CD GLN B 7 -13.769 5.121 0.304 1.00 0.00 C ATOM 1542 OE1 GLN B 7 -14.951 5.422 0.185 1.00 0.00 O ATOM 1543 NE2 GLN B 7 -13.354 4.309 1.273 1.00 0.00 N ATOM 0 H GLN B 7 -10.606 8.673 0.831 1.00 0.00 H new ATOM 0 HA GLN B 7 -12.020 6.465 1.925 1.00 0.00 H new ATOM 0 HB2 GLN B 7 -12.725 7.724 -0.054 1.00 0.00 H new ATOM 0 HB3 GLN B 7 -11.278 7.238 -0.914 1.00 0.00 H new ATOM 0 HG2 GLN B 7 -13.209 5.890 -1.620 1.00 0.00 H new ATOM 0 HG3 GLN B 7 -11.987 4.882 -0.869 1.00 0.00 H new ATOM 0 HE21 GLN B 7 -12.365 4.073 1.352 1.00 0.00 H new ATOM 0 HE22 GLN B 7 -14.025 3.923 1.937 1.00 0.00 H new ATOM 1552 N ALA B 8 -9.116 5.739 0.515 1.00 0.00 N ATOM 1553 CA ALA B 8 -8.090 4.711 0.389 1.00 0.00 C ATOM 1554 C ALA B 8 -7.559 4.298 1.769 1.00 0.00 C ATOM 1555 O ALA B 8 -7.449 3.113 2.087 1.00 0.00 O ATOM 1556 CB ALA B 8 -6.979 5.245 -0.509 1.00 0.00 C ATOM 0 H ALA B 8 -8.857 6.626 0.083 1.00 0.00 H new ATOM 0 HA ALA B 8 -8.513 3.814 -0.063 1.00 0.00 H new ATOM 0 HB1 ALA B 8 -6.201 4.488 -0.615 1.00 0.00 H new ATOM 0 HB2 ALA B 8 -7.388 5.485 -1.490 1.00 0.00 H new ATOM 0 HB3 ALA B 8 -6.552 6.144 -0.064 1.00 0.00 H new ATOM 1562 N ILE B 9 -7.265 5.286 2.613 1.00 0.00 N ATOM 1563 CA ILE B 9 -6.960 5.086 4.021 1.00 0.00 C ATOM 1564 C ILE B 9 -8.094 4.268 4.640 1.00 0.00 C ATOM 1565 O ILE B 9 -7.844 3.221 5.223 1.00 0.00 O ATOM 1566 CB ILE B 9 -6.750 6.454 4.703 1.00 0.00 C ATOM 1567 CG1 ILE B 9 -5.402 7.054 4.257 1.00 0.00 C ATOM 1568 CG2 ILE B 9 -6.803 6.346 6.231 1.00 0.00 C ATOM 1569 CD1 ILE B 9 -5.278 8.543 4.600 1.00 0.00 C ATOM 0 H ILE B 9 -7.233 6.265 2.328 1.00 0.00 H new ATOM 0 HA ILE B 9 -6.033 4.530 4.159 1.00 0.00 H new ATOM 0 HB ILE B 9 -7.564 7.111 4.396 1.00 0.00 H new ATOM 0 HG12 ILE B 9 -4.589 6.506 4.734 1.00 0.00 H new ATOM 0 HG13 ILE B 9 -5.288 6.922 3.181 1.00 0.00 H new ATOM 0 HG21 ILE B 9 -6.650 7.332 6.671 1.00 0.00 H new ATOM 0 HG22 ILE B 9 -7.776 5.960 6.535 1.00 0.00 H new ATOM 0 HG23 ILE B 9 -6.020 5.670 6.575 1.00 0.00 H new ATOM 0 HD11 ILE B 9 -4.310 8.914 4.264 1.00 0.00 H new ATOM 0 HD12 ILE B 9 -6.073 9.098 4.102 1.00 0.00 H new ATOM 0 HD13 ILE B 9 -5.363 8.676 5.678 1.00 0.00 H new ATOM 1581 N GLY B 10 -9.339 4.721 4.473 1.00 0.00 N ATOM 1582 CA GLY B 10 -10.546 4.033 4.905 1.00 0.00 C ATOM 1583 C GLY B 10 -10.535 2.556 4.515 1.00 0.00 C ATOM 1584 O GLY B 10 -10.830 1.697 5.340 1.00 0.00 O ATOM 0 H GLY B 10 -9.535 5.611 4.015 1.00 0.00 H new ATOM 0 HA2 GLY B 10 -10.646 4.121 5.987 1.00 0.00 H new ATOM 0 HA3 GLY B 10 -11.417 4.518 4.464 1.00 0.00 H new ATOM 1588 N LEU B 11 -10.181 2.247 3.268 1.00 0.00 N ATOM 1589 CA LEU B 11 -10.017 0.879 2.799 1.00 0.00 C ATOM 1590 C LEU B 11 -8.967 0.128 3.634 1.00 0.00 C ATOM 1591 O LEU B 11 -9.268 -0.937 4.174 1.00 0.00 O ATOM 1592 CB LEU B 11 -9.690 0.884 1.297 1.00 0.00 C ATOM 1593 CG LEU B 11 -10.959 0.866 0.430 1.00 0.00 C ATOM 1594 CD1 LEU B 11 -10.765 1.657 -0.869 1.00 0.00 C ATOM 1595 CD2 LEU B 11 -11.308 -0.585 0.086 1.00 0.00 C ATOM 0 H LEU B 11 -9.999 2.949 2.551 1.00 0.00 H new ATOM 0 HA LEU B 11 -10.952 0.336 2.933 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -9.100 1.769 1.058 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -9.075 0.017 1.057 1.00 0.00 H new ATOM 0 HG LEU B 11 -11.765 1.333 0.995 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -11.682 1.622 -1.457 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -10.525 2.693 -0.632 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -9.949 1.218 -1.444 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -12.208 -0.607 -0.529 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -10.482 -1.038 -0.463 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -11.483 -1.145 1.005 1.00 0.00 H new ATOM 1607 N LEU B 12 -7.747 0.662 3.767 1.00 0.00 N ATOM 1608 CA LEU B 12 -6.701 0.006 4.562 1.00 0.00 C ATOM 1609 C LEU B 12 -7.152 -0.208 6.014 1.00 0.00 C ATOM 1610 O LEU B 12 -6.917 -1.278 6.585 1.00 0.00 O ATOM 1611 CB LEU B 12 -5.372 0.782 4.503 1.00 0.00 C ATOM 1612 CG LEU B 12 -4.460 0.319 3.352 1.00 0.00 C ATOM 1613 CD1 LEU B 12 -5.098 0.561 1.988 1.00 0.00 C ATOM 1614 CD2 LEU B 12 -3.124 1.068 3.394 1.00 0.00 C ATOM 0 H LEU B 12 -7.460 1.542 3.337 1.00 0.00 H new ATOM 0 HA LEU B 12 -6.528 -0.975 4.119 1.00 0.00 H new ATOM 0 HB2 LEU B 12 -5.582 1.845 4.388 1.00 0.00 H new ATOM 0 HB3 LEU B 12 -4.844 0.662 5.449 1.00 0.00 H new ATOM 0 HG LEU B 12 -4.303 -0.751 3.487 1.00 0.00 H new ATOM 0 HD11 LEU B 12 -4.421 0.220 1.204 1.00 0.00 H new ATOM 0 HD12 LEU B 12 -6.036 0.010 1.922 1.00 0.00 H new ATOM 0 HD13 LEU B 12 -5.293 1.626 1.861 1.00 0.00 H new ATOM 0 HD21 LEU B 12 -2.491 0.729 2.574 1.00 0.00 H new ATOM 0 HD22 LEU B 12 -3.304 2.139 3.295 1.00 0.00 H new ATOM 0 HD23 LEU B 12 -2.625 0.870 4.343 1.00 0.00 H new ATOM 1626 N ILE B 13 -7.799 0.801 6.608 1.00 0.00 N ATOM 1627 CA ILE B 13 -8.412 0.702 7.929 1.00 0.00 C ATOM 1628 C ILE B 13 -9.413 -0.451 7.946 1.00 0.00 C ATOM 1629 O ILE B 13 -9.303 -1.326 8.791 1.00 0.00 O ATOM 1630 CB ILE B 13 -9.079 2.025 8.355 1.00 0.00 C ATOM 1631 CG1 ILE B 13 -8.025 3.129 8.544 1.00 0.00 C ATOM 1632 CG2 ILE B 13 -9.881 1.834 9.657 1.00 0.00 C ATOM 1633 CD1 ILE B 13 -8.679 4.480 8.843 1.00 0.00 C ATOM 0 H ILE B 13 -7.911 1.718 6.176 1.00 0.00 H new ATOM 0 HA ILE B 13 -7.625 0.501 8.656 1.00 0.00 H new ATOM 0 HB ILE B 13 -9.764 2.328 7.563 1.00 0.00 H new ATOM 0 HG12 ILE B 13 -7.355 2.859 9.360 1.00 0.00 H new ATOM 0 HG13 ILE B 13 -7.415 3.210 7.644 1.00 0.00 H new ATOM 0 HG21 ILE B 13 -10.344 2.779 9.941 1.00 0.00 H new ATOM 0 HG22 ILE B 13 -10.655 1.083 9.500 1.00 0.00 H new ATOM 0 HG23 ILE B 13 -9.212 1.505 10.452 1.00 0.00 H new ATOM 0 HD11 ILE B 13 -7.906 5.238 8.971 1.00 0.00 H new ATOM 0 HD12 ILE B 13 -9.329 4.761 8.014 1.00 0.00 H new ATOM 0 HD13 ILE B 13 -9.268 4.405 9.757 1.00 0.00 H new ATOM 1645 N GLY B 14 -10.398 -0.453 7.046 1.00 0.00 N ATOM 1646 CA GLY B 14 -11.438 -1.472 6.994 1.00 0.00 C ATOM 1647 C GLY B 14 -10.825 -2.866 6.915 1.00 0.00 C ATOM 1648 O GLY B 14 -11.187 -3.758 7.681 1.00 0.00 O ATOM 0 H GLY B 14 -10.494 0.263 6.326 1.00 0.00 H new ATOM 0 HA2 GLY B 14 -12.071 -1.398 7.878 1.00 0.00 H new ATOM 0 HA3 GLY B 14 -12.078 -1.301 6.128 1.00 0.00 H new ATOM 1652 N ILE B 15 -9.870 -3.041 6.001 1.00 0.00 N ATOM 1653 CA ILE B 15 -9.142 -4.291 5.875 1.00 0.00 C ATOM 1654 C ILE B 15 -8.482 -4.652 7.207 1.00 0.00 C ATOM 1655 O ILE B 15 -8.598 -5.790 7.649 1.00 0.00 O ATOM 1656 CB ILE B 15 -8.134 -4.207 4.718 1.00 0.00 C ATOM 1657 CG1 ILE B 15 -8.850 -4.114 3.355 1.00 0.00 C ATOM 1658 CG2 ILE B 15 -7.191 -5.414 4.776 1.00 0.00 C ATOM 1659 CD1 ILE B 15 -9.358 -5.458 2.820 1.00 0.00 C ATOM 0 H ILE B 15 -9.586 -2.323 5.335 1.00 0.00 H new ATOM 0 HA ILE B 15 -9.836 -5.096 5.633 1.00 0.00 H new ATOM 0 HB ILE B 15 -7.546 -3.296 4.826 1.00 0.00 H new ATOM 0 HG12 ILE B 15 -9.693 -3.430 3.446 1.00 0.00 H new ATOM 0 HG13 ILE B 15 -8.165 -3.681 2.626 1.00 0.00 H new ATOM 0 HG21 ILE B 15 -6.475 -5.356 3.956 1.00 0.00 H new ATOM 0 HG22 ILE B 15 -6.656 -5.412 5.726 1.00 0.00 H new ATOM 0 HG23 ILE B 15 -7.770 -6.333 4.688 1.00 0.00 H new ATOM 0 HD11 ILE B 15 -9.849 -5.305 1.859 1.00 0.00 H new ATOM 0 HD12 ILE B 15 -8.518 -6.141 2.694 1.00 0.00 H new ATOM 0 HD13 ILE B 15 -10.070 -5.885 3.527 1.00 0.00 H new ATOM 1671 N PHE B 16 -7.799 -3.707 7.860 1.00 0.00 N ATOM 1672 CA PHE B 16 -7.216 -3.977 9.168 1.00 0.00 C ATOM 1673 C PHE B 16 -8.300 -4.459 10.132 1.00 0.00 C ATOM 1674 O PHE B 16 -8.232 -5.575 10.643 1.00 0.00 O ATOM 1675 CB PHE B 16 -6.512 -2.732 9.720 1.00 0.00 C ATOM 1676 CG PHE B 16 -5.720 -2.982 10.986 1.00 0.00 C ATOM 1677 CD1 PHE B 16 -4.587 -3.813 10.951 1.00 0.00 C ATOM 1678 CD2 PHE B 16 -6.104 -2.381 12.201 1.00 0.00 C ATOM 1679 CE1 PHE B 16 -3.799 -3.985 12.100 1.00 0.00 C ATOM 1680 CE2 PHE B 16 -5.332 -2.580 13.358 1.00 0.00 C ATOM 1681 CZ PHE B 16 -4.187 -3.392 13.311 1.00 0.00 C ATOM 0 H PHE B 16 -7.640 -2.763 7.507 1.00 0.00 H new ATOM 0 HA PHE B 16 -6.468 -4.762 9.061 1.00 0.00 H new ATOM 0 HB2 PHE B 16 -5.842 -2.338 8.956 1.00 0.00 H new ATOM 0 HB3 PHE B 16 -7.258 -1.962 9.917 1.00 0.00 H new ATOM 0 HD1 PHE B 16 -4.321 -4.322 10.036 1.00 0.00 H new ATOM 0 HD2 PHE B 16 -6.992 -1.767 12.243 1.00 0.00 H new ATOM 0 HE1 PHE B 16 -2.895 -4.573 12.052 1.00 0.00 H new ATOM 0 HE2 PHE B 16 -5.620 -2.107 14.286 1.00 0.00 H new ATOM 0 HZ PHE B 16 -3.606 -3.560 14.206 1.00 0.00 H new ATOM 1691 N HIS B 17 -9.297 -3.604 10.361 1.00 0.00 N ATOM 1692 CA HIS B 17 -10.435 -3.768 11.252 1.00 0.00 C ATOM 1693 C HIS B 17 -11.018 -5.175 11.121 1.00 0.00 C ATOM 1694 O HIS B 17 -11.198 -5.869 12.122 1.00 0.00 O ATOM 1695 CB HIS B 17 -11.457 -2.674 10.901 1.00 0.00 C ATOM 1696 CG HIS B 17 -12.573 -2.427 11.884 1.00 0.00 C ATOM 1697 ND1 HIS B 17 -13.260 -3.359 12.631 1.00 0.00 N ATOM 1698 CD2 HIS B 17 -13.173 -1.213 12.091 1.00 0.00 C ATOM 1699 CE1 HIS B 17 -14.239 -2.707 13.283 1.00 0.00 C ATOM 1700 NE2 HIS B 17 -14.226 -1.398 12.989 1.00 0.00 N ATOM 0 H HIS B 17 -9.327 -2.703 9.884 1.00 0.00 H new ATOM 0 HA HIS B 17 -10.138 -3.660 12.295 1.00 0.00 H new ATOM 0 HB2 HIS B 17 -10.915 -1.738 10.764 1.00 0.00 H new ATOM 0 HB3 HIS B 17 -11.904 -2.927 9.940 1.00 0.00 H new ATOM 0 HD2 HIS B 17 -12.882 -0.276 11.639 1.00 0.00 H new ATOM 0 HE1 HIS B 17 -14.943 -3.175 13.955 1.00 0.00 H new ATOM 0 HE2 HIS B 17 -14.858 -0.683 13.349 1.00 0.00 H new ATOM 1708 N LYS B 18 -11.275 -5.599 9.881 1.00 0.00 N ATOM 1709 CA LYS B 18 -11.796 -6.917 9.550 1.00 0.00 C ATOM 1710 C LYS B 18 -11.025 -8.045 10.256 1.00 0.00 C ATOM 1711 O LYS B 18 -11.638 -9.031 10.662 1.00 0.00 O ATOM 1712 CB LYS B 18 -11.791 -7.063 8.021 1.00 0.00 C ATOM 1713 CG LYS B 18 -12.399 -8.382 7.531 1.00 0.00 C ATOM 1714 CD LYS B 18 -12.426 -8.393 5.997 1.00 0.00 C ATOM 1715 CE LYS B 18 -12.791 -9.775 5.442 1.00 0.00 C ATOM 1716 NZ LYS B 18 -14.135 -10.202 5.868 1.00 0.00 N ATOM 0 H LYS B 18 -11.120 -5.014 9.060 1.00 0.00 H new ATOM 0 HA LYS B 18 -12.819 -7.008 9.916 1.00 0.00 H new ATOM 0 HB2 LYS B 18 -12.344 -6.232 7.583 1.00 0.00 H new ATOM 0 HB3 LYS B 18 -10.765 -6.989 7.660 1.00 0.00 H new ATOM 0 HG2 LYS B 18 -11.814 -9.224 7.901 1.00 0.00 H new ATOM 0 HG3 LYS B 18 -13.409 -8.498 7.924 1.00 0.00 H new ATOM 0 HD2 LYS B 18 -13.147 -7.657 5.641 1.00 0.00 H new ATOM 0 HD3 LYS B 18 -11.450 -8.094 5.614 1.00 0.00 H new ATOM 0 HE2 LYS B 18 -12.746 -9.752 4.353 1.00 0.00 H new ATOM 0 HE3 LYS B 18 -12.055 -10.506 5.776 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 -14.384 -11.092 5.391 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 -14.143 -10.347 6.898 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 -14.828 -9.469 5.616 1.00 0.00 H new ATOM 1730 N TYR B 19 -9.702 -7.910 10.410 1.00 0.00 N ATOM 1731 CA TYR B 19 -8.848 -8.899 11.062 1.00 0.00 C ATOM 1732 C TYR B 19 -8.144 -8.302 12.295 1.00 0.00 C ATOM 1733 O TYR B 19 -7.006 -8.665 12.585 1.00 0.00 O ATOM 1734 CB TYR B 19 -7.832 -9.456 10.049 1.00 0.00 C ATOM 1735 CG TYR B 19 -8.412 -10.093 8.794 1.00 0.00 C ATOM 1736 CD1 TYR B 19 -8.722 -9.283 7.687 1.00 0.00 C ATOM 1737 CD2 TYR B 19 -8.498 -11.493 8.667 1.00 0.00 C ATOM 1738 CE1 TYR B 19 -9.061 -9.859 6.452 1.00 0.00 C ATOM 1739 CE2 TYR B 19 -8.882 -12.069 7.442 1.00 0.00 C ATOM 1740 CZ TYR B 19 -9.131 -11.255 6.325 1.00 0.00 C ATOM 1741 OH TYR B 19 -9.449 -11.821 5.127 1.00 0.00 O ATOM 0 H TYR B 19 -9.190 -7.093 10.077 1.00 0.00 H new ATOM 0 HA TYR B 19 -9.470 -9.720 11.417 1.00 0.00 H new ATOM 0 HB2 TYR B 19 -7.170 -8.644 9.746 1.00 0.00 H new ATOM 0 HB3 TYR B 19 -7.215 -10.198 10.556 1.00 0.00 H new ATOM 0 HD1 TYR B 19 -8.699 -8.208 7.788 1.00 0.00 H new ATOM 0 HD2 TYR B 19 -8.269 -12.126 9.512 1.00 0.00 H new ATOM 0 HE1 TYR B 19 -9.268 -9.228 5.600 1.00 0.00 H new ATOM 0 HE2 TYR B 19 -8.986 -13.141 7.360 1.00 0.00 H new ATOM 0 HH TYR B 19 -9.427 -11.137 4.426 1.00 0.00 H new ATOM 1751 N SER B 20 -8.806 -7.416 13.051 1.00 0.00 N ATOM 1752 CA SER B 20 -8.278 -6.920 14.326 1.00 0.00 C ATOM 1753 C SER B 20 -9.413 -6.351 15.168 1.00 0.00 C ATOM 1754 O SER B 20 -9.730 -6.855 16.244 1.00 0.00 O ATOM 1755 CB SER B 20 -7.223 -5.832 14.092 1.00 0.00 C ATOM 1756 OG SER B 20 -7.735 -4.863 13.202 1.00 0.00 O ATOM 0 H SER B 20 -9.714 -7.027 12.798 1.00 0.00 H new ATOM 0 HA SER B 20 -7.811 -7.753 14.851 1.00 0.00 H new ATOM 0 HB2 SER B 20 -6.951 -5.364 15.038 1.00 0.00 H new ATOM 0 HB3 SER B 20 -6.315 -6.274 13.682 1.00 0.00 H new ATOM 0 HG SER B 20 -7.065 -4.162 13.061 1.00 0.00 H new ATOM 1847 N HIS B 27 -6.229 -2.432 18.064 1.00 0.00 N ATOM 1848 CA HIS B 27 -5.048 -1.747 17.537 1.00 0.00 C ATOM 1849 C HIS B 27 -3.993 -2.752 17.037 1.00 0.00 C ATOM 1850 O HIS B 27 -3.055 -2.366 16.338 1.00 0.00 O ATOM 1851 CB HIS B 27 -4.502 -0.871 18.680 1.00 0.00 C ATOM 1852 CG HIS B 27 -3.256 -0.042 18.440 1.00 0.00 C ATOM 1853 ND1 HIS B 27 -2.575 0.639 19.424 1.00 0.00 N ATOM 1854 CD2 HIS B 27 -2.676 0.303 17.247 1.00 0.00 C ATOM 1855 CE1 HIS B 27 -1.564 1.303 18.843 1.00 0.00 C ATOM 1856 NE2 HIS B 27 -1.567 1.111 17.514 1.00 0.00 N ATOM 0 HA HIS B 27 -5.306 -1.134 16.673 1.00 0.00 H new ATOM 0 HB2 HIS B 27 -5.298 -0.189 18.981 1.00 0.00 H new ATOM 0 HB3 HIS B 27 -4.304 -1.525 19.529 1.00 0.00 H new ATOM 0 HD1 HIS B 27 -2.799 0.639 20.419 1.00 0.00 H new ATOM 0 HD2 HIS B 27 -3.018 0.002 16.268 1.00 0.00 H new ATOM 0 HE1 HIS B 27 -0.845 1.910 19.373 1.00 0.00 H new ATOM 1864 N THR B 28 -4.134 -4.035 17.377 1.00 0.00 N ATOM 1865 CA THR B 28 -3.156 -5.078 17.108 1.00 0.00 C ATOM 1866 C THR B 28 -3.774 -6.290 16.410 1.00 0.00 C ATOM 1867 O THR B 28 -4.993 -6.457 16.386 1.00 0.00 O ATOM 1868 CB THR B 28 -2.458 -5.496 18.413 1.00 0.00 C ATOM 1869 OG1 THR B 28 -3.393 -5.969 19.363 1.00 0.00 O ATOM 1870 CG2 THR B 28 -1.660 -4.352 19.042 1.00 0.00 C ATOM 0 H THR B 28 -4.961 -4.382 17.863 1.00 0.00 H new ATOM 0 HA THR B 28 -2.416 -4.665 16.422 1.00 0.00 H new ATOM 0 HB THR B 28 -1.767 -6.294 18.140 1.00 0.00 H new ATOM 0 HG1 THR B 28 -2.923 -6.230 20.183 1.00 0.00 H new ATOM 0 HG21 THR B 28 -1.187 -4.700 19.960 1.00 0.00 H new ATOM 0 HG22 THR B 28 -0.893 -4.016 18.344 1.00 0.00 H new ATOM 0 HG23 THR B 28 -2.330 -3.523 19.270 1.00 0.00 H new ATOM 1878 N LEU B 29 -2.903 -7.135 15.854 1.00 0.00 N ATOM 1879 CA LEU B 29 -3.215 -8.454 15.320 1.00 0.00 C ATOM 1880 C LEU B 29 -1.919 -9.271 15.343 1.00 0.00 C ATOM 1881 O LEU B 29 -0.893 -8.726 15.751 1.00 0.00 O ATOM 1882 CB LEU B 29 -3.874 -8.338 13.936 1.00 0.00 C ATOM 1883 CG LEU B 29 -3.118 -7.524 12.868 1.00 0.00 C ATOM 1884 CD1 LEU B 29 -1.868 -8.217 12.320 1.00 0.00 C ATOM 1885 CD2 LEU B 29 -4.046 -7.269 11.673 1.00 0.00 C ATOM 0 H LEU B 29 -1.914 -6.903 15.762 1.00 0.00 H new ATOM 0 HA LEU B 29 -3.954 -8.978 15.927 1.00 0.00 H new ATOM 0 HB2 LEU B 29 -4.028 -9.345 13.548 1.00 0.00 H new ATOM 0 HB3 LEU B 29 -4.860 -7.892 14.066 1.00 0.00 H new ATOM 0 HG LEU B 29 -2.804 -6.607 13.367 1.00 0.00 H new ATOM 0 HD11 LEU B 29 -1.395 -7.578 11.574 1.00 0.00 H new ATOM 0 HD12 LEU B 29 -1.168 -8.403 13.135 1.00 0.00 H new ATOM 0 HD13 LEU B 29 -2.149 -9.164 11.860 1.00 0.00 H new ATOM 0 HD21 LEU B 29 -3.514 -6.693 10.916 1.00 0.00 H new ATOM 0 HD22 LEU B 29 -4.363 -8.222 11.249 1.00 0.00 H new ATOM 0 HD23 LEU B 29 -4.921 -6.711 12.005 1.00 0.00 H new ATOM 1897 N SER B 30 -1.940 -10.545 14.934 1.00 0.00 N ATOM 1898 CA SER B 30 -0.767 -11.420 14.972 1.00 0.00 C ATOM 1899 C SER B 30 -0.431 -12.006 13.599 1.00 0.00 C ATOM 1900 O SER B 30 -1.167 -11.818 12.626 1.00 0.00 O ATOM 1901 CB SER B 30 -1.002 -12.536 16.000 1.00 0.00 C ATOM 1902 OG SER B 30 -1.966 -13.457 15.528 1.00 0.00 O ATOM 0 H SER B 30 -2.776 -10.998 14.566 1.00 0.00 H new ATOM 0 HA SER B 30 0.093 -10.820 15.269 1.00 0.00 H new ATOM 0 HB2 SER B 30 -0.065 -13.055 16.201 1.00 0.00 H new ATOM 0 HB3 SER B 30 -1.336 -12.104 16.943 1.00 0.00 H new ATOM 0 HG SER B 30 -2.709 -12.970 15.115 1.00 0.00 H new ATOM 1908 N LYS B 31 0.669 -12.767 13.551 1.00 0.00 N ATOM 1909 CA LYS B 31 1.139 -13.502 12.383 1.00 0.00 C ATOM 1910 C LYS B 31 0.005 -14.162 11.598 1.00 0.00 C ATOM 1911 O LYS B 31 -0.046 -14.057 10.375 1.00 0.00 O ATOM 1912 CB LYS B 31 2.211 -14.531 12.784 1.00 0.00 C ATOM 1913 CG LYS B 31 1.843 -15.457 13.959 1.00 0.00 C ATOM 1914 CD LYS B 31 2.908 -16.542 14.197 1.00 0.00 C ATOM 1915 CE LYS B 31 4.291 -15.999 14.581 1.00 0.00 C ATOM 1916 NZ LYS B 31 4.244 -15.206 15.820 1.00 0.00 N ATOM 0 H LYS B 31 1.277 -12.889 14.361 1.00 0.00 H new ATOM 0 HA LYS B 31 1.589 -12.771 11.711 1.00 0.00 H new ATOM 0 HB2 LYS B 31 2.437 -15.149 11.915 1.00 0.00 H new ATOM 0 HB3 LYS B 31 3.125 -13.995 13.040 1.00 0.00 H new ATOM 0 HG2 LYS B 31 1.723 -14.862 14.865 1.00 0.00 H new ATOM 0 HG3 LYS B 31 0.882 -15.931 13.759 1.00 0.00 H new ATOM 0 HD2 LYS B 31 2.560 -17.208 14.987 1.00 0.00 H new ATOM 0 HD3 LYS B 31 3.005 -17.143 13.293 1.00 0.00 H new ATOM 0 HE2 LYS B 31 4.985 -16.830 14.708 1.00 0.00 H new ATOM 0 HE3 LYS B 31 4.677 -15.382 13.769 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 5.153 -14.719 15.955 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 3.481 -14.503 15.753 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 4.065 -15.835 16.628 1.00 0.00 H new ATOM 1930 N LYS B 32 -0.908 -14.846 12.292 1.00 0.00 N ATOM 1931 CA LYS B 32 -1.981 -15.577 11.645 1.00 0.00 C ATOM 1932 C LYS B 32 -2.872 -14.601 10.876 1.00 0.00 C ATOM 1933 O LYS B 32 -3.256 -14.870 9.737 1.00 0.00 O ATOM 1934 CB LYS B 32 -2.729 -16.406 12.704 1.00 0.00 C ATOM 1935 CG LYS B 32 -3.694 -17.433 12.091 1.00 0.00 C ATOM 1936 CD LYS B 32 -5.095 -16.860 11.856 1.00 0.00 C ATOM 1937 CE LYS B 32 -5.963 -16.929 13.116 1.00 0.00 C ATOM 1938 NZ LYS B 32 -7.222 -16.190 12.924 1.00 0.00 N ATOM 0 H LYS B 32 -0.918 -14.904 13.310 1.00 0.00 H new ATOM 0 HA LYS B 32 -1.597 -16.282 10.908 1.00 0.00 H new ATOM 0 HB2 LYS B 32 -2.003 -16.926 13.330 1.00 0.00 H new ATOM 0 HB3 LYS B 32 -3.288 -15.734 13.355 1.00 0.00 H new ATOM 0 HG2 LYS B 32 -3.287 -17.788 11.144 1.00 0.00 H new ATOM 0 HG3 LYS B 32 -3.765 -18.298 12.751 1.00 0.00 H new ATOM 0 HD2 LYS B 32 -5.012 -15.823 11.529 1.00 0.00 H new ATOM 0 HD3 LYS B 32 -5.581 -17.410 11.050 1.00 0.00 H new ATOM 0 HE2 LYS B 32 -6.180 -17.970 13.357 1.00 0.00 H new ATOM 0 HE3 LYS B 32 -5.417 -16.513 13.963 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 -7.963 -16.605 13.524 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 -7.083 -15.193 13.185 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 -7.511 -16.249 11.927 1.00 0.00 H new ATOM 1952 N GLU B 33 -3.181 -13.450 11.483 1.00 0.00 N ATOM 1953 CA GLU B 33 -3.987 -12.435 10.831 1.00 0.00 C ATOM 1954 C GLU B 33 -3.225 -11.827 9.658 1.00 0.00 C ATOM 1955 O GLU B 33 -3.831 -11.603 8.619 1.00 0.00 O ATOM 1956 CB GLU B 33 -4.427 -11.345 11.807 1.00 0.00 C ATOM 1957 CG GLU B 33 -5.516 -11.814 12.782 1.00 0.00 C ATOM 1958 CD GLU B 33 -4.964 -12.704 13.882 1.00 0.00 C ATOM 1959 OE1 GLU B 33 -4.182 -12.165 14.696 1.00 0.00 O ATOM 1960 OE2 GLU B 33 -5.319 -13.901 13.889 1.00 0.00 O ATOM 0 H GLU B 33 -2.880 -13.206 12.427 1.00 0.00 H new ATOM 0 HA GLU B 33 -4.888 -12.920 10.456 1.00 0.00 H new ATOM 0 HB2 GLU B 33 -3.562 -11.003 12.375 1.00 0.00 H new ATOM 0 HB3 GLU B 33 -4.797 -10.488 11.243 1.00 0.00 H new ATOM 0 HG2 GLU B 33 -5.998 -10.945 13.229 1.00 0.00 H new ATOM 0 HG3 GLU B 33 -6.284 -12.356 12.231 1.00 0.00 H new ATOM 1967 N LEU B 34 -1.923 -11.552 9.792 1.00 0.00 N ATOM 1968 CA LEU B 34 -1.150 -11.066 8.647 1.00 0.00 C ATOM 1969 C LEU B 34 -1.187 -12.071 7.489 1.00 0.00 C ATOM 1970 O LEU B 34 -1.447 -11.686 6.348 1.00 0.00 O ATOM 1971 CB LEU B 34 0.306 -10.765 9.013 1.00 0.00 C ATOM 1972 CG LEU B 34 0.583 -9.473 9.794 1.00 0.00 C ATOM 1973 CD1 LEU B 34 2.098 -9.246 9.742 1.00 0.00 C ATOM 1974 CD2 LEU B 34 -0.105 -8.237 9.202 1.00 0.00 C ATOM 0 H LEU B 34 -1.394 -11.654 10.658 1.00 0.00 H new ATOM 0 HA LEU B 34 -1.620 -10.134 8.334 1.00 0.00 H new ATOM 0 HB2 LEU B 34 0.686 -11.602 9.599 1.00 0.00 H new ATOM 0 HB3 LEU B 34 0.886 -10.732 8.091 1.00 0.00 H new ATOM 0 HG LEU B 34 0.192 -9.595 10.804 1.00 0.00 H new ATOM 0 HD11 LEU B 34 2.348 -8.335 10.286 1.00 0.00 H new ATOM 0 HD12 LEU B 34 2.609 -10.093 10.199 1.00 0.00 H new ATOM 0 HD13 LEU B 34 2.416 -9.148 8.704 1.00 0.00 H new ATOM 0 HD21 LEU B 34 0.136 -7.362 9.806 1.00 0.00 H new ATOM 0 HD22 LEU B 34 0.244 -8.080 8.181 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -1.184 -8.389 9.197 1.00 0.00 H new ATOM 1986 N LYS B 35 -0.920 -13.350 7.771 1.00 0.00 N ATOM 1987 CA LYS B 35 -0.959 -14.402 6.762 1.00 0.00 C ATOM 1988 C LYS B 35 -2.341 -14.445 6.103 1.00 0.00 C ATOM 1989 O LYS B 35 -2.437 -14.412 4.875 1.00 0.00 O ATOM 1990 CB LYS B 35 -0.578 -15.752 7.381 1.00 0.00 C ATOM 1991 CG LYS B 35 0.915 -15.796 7.731 1.00 0.00 C ATOM 1992 CD LYS B 35 1.238 -17.056 8.538 1.00 0.00 C ATOM 1993 CE LYS B 35 2.719 -17.062 8.932 1.00 0.00 C ATOM 1994 NZ LYS B 35 3.054 -18.259 9.722 1.00 0.00 N ATOM 0 H LYS B 35 -0.672 -13.680 8.704 1.00 0.00 H new ATOM 0 HA LYS B 35 -0.227 -14.183 5.985 1.00 0.00 H new ATOM 0 HB2 LYS B 35 -1.171 -15.924 8.279 1.00 0.00 H new ATOM 0 HB3 LYS B 35 -0.815 -16.555 6.684 1.00 0.00 H new ATOM 0 HG2 LYS B 35 1.510 -15.779 6.818 1.00 0.00 H new ATOM 0 HG3 LYS B 35 1.187 -14.910 8.304 1.00 0.00 H new ATOM 0 HD2 LYS B 35 0.615 -17.095 9.432 1.00 0.00 H new ATOM 0 HD3 LYS B 35 1.006 -17.944 7.950 1.00 0.00 H new ATOM 0 HE2 LYS B 35 3.337 -17.030 8.035 1.00 0.00 H new ATOM 0 HE3 LYS B 35 2.948 -16.166 9.509 1.00 0.00 H new ATOM 0 HZ1 LYS B 35 3.549 -17.974 10.591 1.00 0.00 H new ATOM 0 HZ2 LYS B 35 2.181 -18.766 9.971 1.00 0.00 H new ATOM 0 HZ3 LYS B 35 3.669 -18.883 9.162 1.00 0.00 H new ATOM 2008 N GLU B 36 -3.405 -14.488 6.916 1.00 0.00 N ATOM 2009 CA GLU B 36 -4.770 -14.395 6.420 1.00 0.00 C ATOM 2010 C GLU B 36 -4.919 -13.189 5.501 1.00 0.00 C ATOM 2011 O GLU B 36 -5.230 -13.360 4.331 1.00 0.00 O ATOM 2012 CB GLU B 36 -5.775 -14.308 7.574 1.00 0.00 C ATOM 2013 CG GLU B 36 -6.137 -15.694 8.117 1.00 0.00 C ATOM 2014 CD GLU B 36 -7.049 -15.622 9.343 1.00 0.00 C ATOM 2015 OE1 GLU B 36 -7.035 -14.573 10.023 1.00 0.00 O ATOM 2016 OE2 GLU B 36 -7.740 -16.634 9.591 1.00 0.00 O ATOM 0 H GLU B 36 -3.337 -14.588 7.929 1.00 0.00 H new ATOM 0 HA GLU B 36 -4.983 -15.301 5.853 1.00 0.00 H new ATOM 0 HB2 GLU B 36 -5.356 -13.701 8.376 1.00 0.00 H new ATOM 0 HB3 GLU B 36 -6.679 -13.804 7.232 1.00 0.00 H new ATOM 0 HG2 GLU B 36 -6.631 -16.270 7.334 1.00 0.00 H new ATOM 0 HG3 GLU B 36 -5.224 -16.228 8.378 1.00 0.00 H new ATOM 2023 N LEU B 37 -4.707 -11.983 6.026 1.00 0.00 N ATOM 2024 CA LEU B 37 -4.797 -10.731 5.294 1.00 0.00 C ATOM 2025 C LEU B 37 -4.134 -10.853 3.928 1.00 0.00 C ATOM 2026 O LEU B 37 -4.802 -10.738 2.903 1.00 0.00 O ATOM 2027 CB LEU B 37 -4.134 -9.601 6.097 1.00 0.00 C ATOM 2028 CG LEU B 37 -5.088 -8.950 7.105 1.00 0.00 C ATOM 2029 CD1 LEU B 37 -4.291 -8.198 8.176 1.00 0.00 C ATOM 2030 CD2 LEU B 37 -5.981 -7.953 6.364 1.00 0.00 C ATOM 0 H LEU B 37 -4.460 -11.852 7.007 1.00 0.00 H new ATOM 0 HA LEU B 37 -5.851 -10.497 5.147 1.00 0.00 H new ATOM 0 HB2 LEU B 37 -3.268 -9.998 6.627 1.00 0.00 H new ATOM 0 HB3 LEU B 37 -3.765 -8.840 5.409 1.00 0.00 H new ATOM 0 HG LEU B 37 -5.690 -9.723 7.582 1.00 0.00 H new ATOM 0 HD11 LEU B 37 -4.979 -7.740 8.887 1.00 0.00 H new ATOM 0 HD12 LEU B 37 -3.639 -8.896 8.701 1.00 0.00 H new ATOM 0 HD13 LEU B 37 -3.688 -7.423 7.703 1.00 0.00 H new ATOM 0 HD21 LEU B 37 -6.665 -7.482 7.070 1.00 0.00 H new ATOM 0 HD22 LEU B 37 -5.362 -7.189 5.895 1.00 0.00 H new ATOM 0 HD23 LEU B 37 -6.554 -8.477 5.598 1.00 0.00 H new ATOM 2042 N ILE B 38 -2.818 -11.066 3.907 1.00 0.00 N ATOM 2043 CA ILE B 38 -2.084 -11.010 2.657 1.00 0.00 C ATOM 2044 C ILE B 38 -2.595 -12.084 1.689 1.00 0.00 C ATOM 2045 O ILE B 38 -2.902 -11.771 0.542 1.00 0.00 O ATOM 2046 CB ILE B 38 -0.565 -11.016 2.920 1.00 0.00 C ATOM 2047 CG1 ILE B 38 0.197 -10.499 1.692 1.00 0.00 C ATOM 2048 CG2 ILE B 38 -0.038 -12.389 3.346 1.00 0.00 C ATOM 2049 CD1 ILE B 38 1.691 -10.327 1.975 1.00 0.00 C ATOM 0 H ILE B 38 -2.252 -11.275 4.730 1.00 0.00 H new ATOM 0 HA ILE B 38 -2.270 -10.065 2.147 1.00 0.00 H new ATOM 0 HB ILE B 38 -0.390 -10.342 3.759 1.00 0.00 H new ATOM 0 HG12 ILE B 38 0.063 -11.194 0.863 1.00 0.00 H new ATOM 0 HG13 ILE B 38 -0.225 -9.544 1.379 1.00 0.00 H new ATOM 0 HG21 ILE B 38 1.037 -12.329 3.516 1.00 0.00 H new ATOM 0 HG22 ILE B 38 -0.534 -12.700 4.265 1.00 0.00 H new ATOM 0 HG23 ILE B 38 -0.241 -13.116 2.560 1.00 0.00 H new ATOM 0 HD11 ILE B 38 2.191 -9.960 1.079 1.00 0.00 H new ATOM 0 HD12 ILE B 38 1.828 -9.612 2.786 1.00 0.00 H new ATOM 0 HD13 ILE B 38 2.120 -11.287 2.262 1.00 0.00 H new ATOM 2061 N GLN B 39 -2.748 -13.330 2.149 1.00 0.00 N ATOM 2062 CA GLN B 39 -3.146 -14.426 1.276 1.00 0.00 C ATOM 2063 C GLN B 39 -4.587 -14.258 0.769 1.00 0.00 C ATOM 2064 O GLN B 39 -4.835 -14.412 -0.424 1.00 0.00 O ATOM 2065 CB GLN B 39 -2.921 -15.755 2.010 1.00 0.00 C ATOM 2066 CG GLN B 39 -3.280 -16.973 1.151 1.00 0.00 C ATOM 2067 CD GLN B 39 -3.206 -18.258 1.966 1.00 0.00 C ATOM 2068 OE1 GLN B 39 -4.228 -18.877 2.247 1.00 0.00 O ATOM 2069 NE2 GLN B 39 -2.006 -18.667 2.363 1.00 0.00 N ATOM 0 H GLN B 39 -2.601 -13.599 3.122 1.00 0.00 H new ATOM 0 HA GLN B 39 -2.525 -14.421 0.380 1.00 0.00 H new ATOM 0 HB2 GLN B 39 -1.877 -15.825 2.314 1.00 0.00 H new ATOM 0 HB3 GLN B 39 -3.520 -15.768 2.921 1.00 0.00 H new ATOM 0 HG2 GLN B 39 -4.285 -16.853 0.746 1.00 0.00 H new ATOM 0 HG3 GLN B 39 -2.599 -17.037 0.302 1.00 0.00 H new ATOM 0 HE21 GLN B 39 -1.176 -18.130 2.113 1.00 0.00 H new ATOM 0 HE22 GLN B 39 -1.915 -19.518 2.918 1.00 0.00 H new ATOM 2078 N LYS B 40 -5.543 -13.988 1.665 1.00 0.00 N ATOM 2079 CA LYS B 40 -6.950 -13.848 1.312 1.00 0.00 C ATOM 2080 C LYS B 40 -7.122 -12.610 0.432 1.00 0.00 C ATOM 2081 O LYS B 40 -7.698 -12.694 -0.650 1.00 0.00 O ATOM 2082 CB LYS B 40 -7.867 -13.728 2.551 1.00 0.00 C ATOM 2083 CG LYS B 40 -8.429 -15.031 3.157 1.00 0.00 C ATOM 2084 CD LYS B 40 -7.597 -15.738 4.237 1.00 0.00 C ATOM 2085 CE LYS B 40 -6.389 -16.528 3.727 1.00 0.00 C ATOM 2086 NZ LYS B 40 -6.739 -17.488 2.666 1.00 0.00 N ATOM 0 H LYS B 40 -5.356 -13.861 2.660 1.00 0.00 H new ATOM 0 HA LYS B 40 -7.246 -14.751 0.778 1.00 0.00 H new ATOM 0 HB2 LYS B 40 -7.310 -13.208 3.331 1.00 0.00 H new ATOM 0 HB3 LYS B 40 -8.711 -13.092 2.283 1.00 0.00 H new ATOM 0 HG2 LYS B 40 -9.408 -14.807 3.582 1.00 0.00 H new ATOM 0 HG3 LYS B 40 -8.589 -15.737 2.342 1.00 0.00 H new ATOM 0 HD2 LYS B 40 -7.246 -14.990 4.948 1.00 0.00 H new ATOM 0 HD3 LYS B 40 -8.249 -16.418 4.786 1.00 0.00 H new ATOM 0 HE2 LYS B 40 -5.640 -15.833 3.348 1.00 0.00 H new ATOM 0 HE3 LYS B 40 -5.934 -17.064 4.560 1.00 0.00 H new ATOM 0 HZ1 LYS B 40 -5.932 -18.120 2.490 1.00 0.00 H new ATOM 0 HZ2 LYS B 40 -7.561 -18.051 2.964 1.00 0.00 H new ATOM 0 HZ3 LYS B 40 -6.971 -16.972 1.794 1.00 0.00 H new ATOM 2100 N GLU B 41 -6.674 -11.448 0.915 1.00 0.00 N ATOM 2101 CA GLU B 41 -6.939 -10.195 0.233 1.00 0.00 C ATOM 2102 C GLU B 41 -6.089 -10.087 -1.036 1.00 0.00 C ATOM 2103 O GLU B 41 -6.617 -9.785 -2.104 1.00 0.00 O ATOM 2104 CB GLU B 41 -6.711 -9.008 1.177 1.00 0.00 C ATOM 2105 CG GLU B 41 -7.496 -9.104 2.499 1.00 0.00 C ATOM 2106 CD GLU B 41 -9.007 -9.213 2.311 1.00 0.00 C ATOM 2107 OE1 GLU B 41 -9.531 -8.481 1.444 1.00 0.00 O ATOM 2108 OE2 GLU B 41 -9.610 -10.019 3.056 1.00 0.00 O ATOM 0 H GLU B 41 -6.129 -11.357 1.772 1.00 0.00 H new ATOM 0 HA GLU B 41 -7.986 -10.173 -0.070 1.00 0.00 H new ATOM 0 HB2 GLU B 41 -5.647 -8.934 1.402 1.00 0.00 H new ATOM 0 HB3 GLU B 41 -6.993 -8.089 0.664 1.00 0.00 H new ATOM 0 HG2 GLU B 41 -7.145 -9.972 3.057 1.00 0.00 H new ATOM 0 HG3 GLU B 41 -7.277 -8.225 3.106 1.00 0.00 H new ATOM 2115 N LEU B 42 -4.774 -10.300 -0.930 1.00 0.00 N ATOM 2116 CA LEU B 42 -3.851 -10.101 -2.041 1.00 0.00 C ATOM 2117 C LEU B 42 -3.453 -11.432 -2.669 1.00 0.00 C ATOM 2118 O LEU B 42 -2.282 -11.795 -2.700 1.00 0.00 O ATOM 2119 CB LEU B 42 -2.634 -9.268 -1.612 1.00 0.00 C ATOM 2120 CG LEU B 42 -3.004 -7.834 -1.200 1.00 0.00 C ATOM 2121 CD1 LEU B 42 -1.755 -7.127 -0.669 1.00 0.00 C ATOM 2122 CD2 LEU B 42 -3.550 -7.031 -2.387 1.00 0.00 C ATOM 0 H LEU B 42 -4.324 -10.615 -0.071 1.00 0.00 H new ATOM 0 HA LEU B 42 -4.366 -9.528 -2.812 1.00 0.00 H new ATOM 0 HB2 LEU B 42 -2.137 -9.763 -0.778 1.00 0.00 H new ATOM 0 HB3 LEU B 42 -1.918 -9.231 -2.433 1.00 0.00 H new ATOM 0 HG LEU B 42 -3.777 -7.892 -0.434 1.00 0.00 H new ATOM 0 HD11 LEU B 42 -2.010 -6.109 -0.375 1.00 0.00 H new ATOM 0 HD12 LEU B 42 -1.370 -7.669 0.195 1.00 0.00 H new ATOM 0 HD13 LEU B 42 -0.994 -7.099 -1.448 1.00 0.00 H new ATOM 0 HD21 LEU B 42 -3.801 -6.022 -2.059 1.00 0.00 H new ATOM 0 HD22 LEU B 42 -2.794 -6.980 -3.170 1.00 0.00 H new ATOM 0 HD23 LEU B 42 -4.444 -7.519 -2.776 1.00 0.00 H new ATOM 2243 N ASP B 50 8.470 -11.484 -5.986 1.00 0.00 N ATOM 2244 CA ASP B 50 8.962 -11.958 -4.692 1.00 0.00 C ATOM 2245 C ASP B 50 8.315 -11.288 -3.479 1.00 0.00 C ATOM 2246 O ASP B 50 8.071 -11.970 -2.488 1.00 0.00 O ATOM 2247 CB ASP B 50 10.489 -11.862 -4.609 1.00 0.00 C ATOM 2248 CG ASP B 50 11.031 -10.473 -4.919 1.00 0.00 C ATOM 2249 OD1 ASP B 50 11.212 -10.197 -6.125 1.00 0.00 O ATOM 2250 OD2 ASP B 50 11.262 -9.723 -3.948 1.00 0.00 O ATOM 0 HA ASP B 50 8.661 -13.005 -4.645 1.00 0.00 H new ATOM 0 HB2 ASP B 50 10.809 -12.153 -3.608 1.00 0.00 H new ATOM 0 HB3 ASP B 50 10.928 -12.578 -5.304 1.00 0.00 H new ATOM 2255 N ALA B 51 8.046 -9.983 -3.550 1.00 0.00 N ATOM 2256 CA ALA B 51 7.450 -9.173 -2.496 1.00 0.00 C ATOM 2257 C ALA B 51 6.504 -9.943 -1.569 1.00 0.00 C ATOM 2258 O ALA B 51 6.742 -10.007 -0.367 1.00 0.00 O ATOM 2259 CB ALA B 51 6.717 -8.006 -3.152 1.00 0.00 C ATOM 0 H ALA B 51 8.250 -9.439 -4.388 1.00 0.00 H new ATOM 0 HA ALA B 51 8.259 -8.828 -1.852 1.00 0.00 H new ATOM 0 HB1 ALA B 51 6.261 -7.384 -2.382 1.00 0.00 H new ATOM 0 HB2 ALA B 51 7.424 -7.410 -3.729 1.00 0.00 H new ATOM 0 HB3 ALA B 51 5.941 -8.390 -3.814 1.00 0.00 H new ATOM 2265 N GLU B 52 5.423 -10.520 -2.106 1.00 0.00 N ATOM 2266 CA GLU B 52 4.408 -11.161 -1.275 1.00 0.00 C ATOM 2267 C GLU B 52 4.971 -12.391 -0.559 1.00 0.00 C ATOM 2268 O GLU B 52 4.650 -12.660 0.598 1.00 0.00 O ATOM 2269 CB GLU B 52 3.178 -11.515 -2.123 1.00 0.00 C ATOM 2270 CG GLU B 52 1.945 -11.730 -1.237 1.00 0.00 C ATOM 2271 CD GLU B 52 0.823 -12.423 -1.998 1.00 0.00 C ATOM 2272 OE1 GLU B 52 0.600 -12.007 -3.153 1.00 0.00 O ATOM 2273 OE2 GLU B 52 0.253 -13.380 -1.431 1.00 0.00 O ATOM 0 H GLU B 52 5.233 -10.554 -3.107 1.00 0.00 H new ATOM 0 HA GLU B 52 4.098 -10.457 -0.502 1.00 0.00 H new ATOM 0 HB2 GLU B 52 2.982 -10.716 -2.838 1.00 0.00 H new ATOM 0 HB3 GLU B 52 3.377 -12.418 -2.701 1.00 0.00 H new ATOM 0 HG2 GLU B 52 2.220 -12.328 -0.368 1.00 0.00 H new ATOM 0 HG3 GLU B 52 1.592 -10.769 -0.863 1.00 0.00 H new ATOM 2280 N ILE B 53 5.814 -13.143 -1.262 1.00 0.00 N ATOM 2281 CA ILE B 53 6.385 -14.381 -0.774 1.00 0.00 C ATOM 2282 C ILE B 53 7.327 -14.006 0.372 1.00 0.00 C ATOM 2283 O ILE B 53 7.202 -14.501 1.492 1.00 0.00 O ATOM 2284 CB ILE B 53 7.107 -15.116 -1.923 1.00 0.00 C ATOM 2285 CG1 ILE B 53 6.217 -15.388 -3.156 1.00 0.00 C ATOM 2286 CG2 ILE B 53 7.635 -16.463 -1.408 1.00 0.00 C ATOM 2287 CD1 ILE B 53 5.831 -14.159 -3.989 1.00 0.00 C ATOM 0 H ILE B 53 6.121 -12.898 -2.204 1.00 0.00 H new ATOM 0 HA ILE B 53 5.624 -15.070 -0.407 1.00 0.00 H new ATOM 0 HB ILE B 53 7.910 -14.454 -2.246 1.00 0.00 H new ATOM 0 HG12 ILE B 53 6.735 -16.094 -3.805 1.00 0.00 H new ATOM 0 HG13 ILE B 53 5.302 -15.876 -2.819 1.00 0.00 H new ATOM 0 HG21 ILE B 53 8.146 -16.986 -2.216 1.00 0.00 H new ATOM 0 HG22 ILE B 53 8.333 -16.291 -0.589 1.00 0.00 H new ATOM 0 HG23 ILE B 53 6.801 -17.069 -1.053 1.00 0.00 H new ATOM 0 HD11 ILE B 53 5.207 -14.469 -4.827 1.00 0.00 H new ATOM 0 HD12 ILE B 53 5.278 -13.456 -3.366 1.00 0.00 H new ATOM 0 HD13 ILE B 53 6.733 -13.678 -4.367 1.00 0.00 H new ATOM 2299 N VAL B 54 8.242 -13.077 0.087 1.00 0.00 N ATOM 2300 CA VAL B 54 9.145 -12.474 1.051 1.00 0.00 C ATOM 2301 C VAL B 54 8.355 -12.005 2.271 1.00 0.00 C ATOM 2302 O VAL B 54 8.724 -12.337 3.390 1.00 0.00 O ATOM 2303 CB VAL B 54 9.942 -11.348 0.369 1.00 0.00 C ATOM 2304 CG1 VAL B 54 10.724 -10.494 1.373 1.00 0.00 C ATOM 2305 CG2 VAL B 54 10.930 -11.954 -0.634 1.00 0.00 C ATOM 0 H VAL B 54 8.374 -12.716 -0.858 1.00 0.00 H new ATOM 0 HA VAL B 54 9.871 -13.203 1.411 1.00 0.00 H new ATOM 0 HB VAL B 54 9.221 -10.703 -0.133 1.00 0.00 H new ATOM 0 HG11 VAL B 54 11.269 -9.714 0.841 1.00 0.00 H new ATOM 0 HG12 VAL B 54 10.031 -10.035 2.078 1.00 0.00 H new ATOM 0 HG13 VAL B 54 11.429 -11.124 1.915 1.00 0.00 H new ATOM 0 HG21 VAL B 54 11.494 -11.156 -1.117 1.00 0.00 H new ATOM 0 HG22 VAL B 54 11.617 -12.619 -0.111 1.00 0.00 H new ATOM 0 HG23 VAL B 54 10.382 -12.519 -1.389 1.00 0.00 H new ATOM 2315 N LYS B 55 7.254 -11.276 2.077 1.00 0.00 N ATOM 2316 CA LYS B 55 6.416 -10.830 3.182 1.00 0.00 C ATOM 2317 C LYS B 55 5.915 -12.013 4.004 1.00 0.00 C ATOM 2318 O LYS B 55 6.051 -12.007 5.226 1.00 0.00 O ATOM 2319 CB LYS B 55 5.257 -9.956 2.684 1.00 0.00 C ATOM 2320 CG LYS B 55 5.581 -8.474 2.890 1.00 0.00 C ATOM 2321 CD LYS B 55 6.787 -8.019 2.057 1.00 0.00 C ATOM 2322 CE LYS B 55 7.384 -6.744 2.646 1.00 0.00 C ATOM 2323 NZ LYS B 55 8.148 -7.018 3.877 1.00 0.00 N ATOM 0 H LYS B 55 6.924 -10.983 1.157 1.00 0.00 H new ATOM 0 HA LYS B 55 7.029 -10.212 3.838 1.00 0.00 H new ATOM 0 HB2 LYS B 55 5.073 -10.151 1.628 1.00 0.00 H new ATOM 0 HB3 LYS B 55 4.343 -10.213 3.219 1.00 0.00 H new ATOM 0 HG2 LYS B 55 4.711 -7.874 2.623 1.00 0.00 H new ATOM 0 HG3 LYS B 55 5.782 -8.292 3.946 1.00 0.00 H new ATOM 0 HD2 LYS B 55 7.541 -8.806 2.035 1.00 0.00 H new ATOM 0 HD3 LYS B 55 6.480 -7.843 1.026 1.00 0.00 H new ATOM 0 HE2 LYS B 55 8.036 -6.274 1.910 1.00 0.00 H new ATOM 0 HE3 LYS B 55 6.585 -6.035 2.864 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 8.791 -6.224 4.070 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 7.491 -7.133 4.675 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 8.701 -7.890 3.755 1.00 0.00 H new ATOM 2337 N LEU B 56 5.352 -13.030 3.351 1.00 0.00 N ATOM 2338 CA LEU B 56 4.895 -14.227 4.045 1.00 0.00 C ATOM 2339 C LEU B 56 6.017 -14.854 4.882 1.00 0.00 C ATOM 2340 O LEU B 56 5.743 -15.353 5.971 1.00 0.00 O ATOM 2341 CB LEU B 56 4.283 -15.231 3.057 1.00 0.00 C ATOM 2342 CG LEU B 56 2.855 -14.841 2.642 1.00 0.00 C ATOM 2343 CD1 LEU B 56 2.480 -15.546 1.336 1.00 0.00 C ATOM 2344 CD2 LEU B 56 1.844 -15.235 3.730 1.00 0.00 C ATOM 0 H LEU B 56 5.203 -13.046 2.342 1.00 0.00 H new ATOM 0 HA LEU B 56 4.110 -13.934 4.742 1.00 0.00 H new ATOM 0 HB2 LEU B 56 4.913 -15.295 2.170 1.00 0.00 H new ATOM 0 HB3 LEU B 56 4.270 -16.222 3.510 1.00 0.00 H new ATOM 0 HG LEU B 56 2.826 -13.760 2.503 1.00 0.00 H new ATOM 0 HD11 LEU B 56 1.467 -15.265 1.049 1.00 0.00 H new ATOM 0 HD12 LEU B 56 3.175 -15.251 0.550 1.00 0.00 H new ATOM 0 HD13 LEU B 56 2.530 -16.626 1.478 1.00 0.00 H new ATOM 0 HD21 LEU B 56 0.840 -14.949 3.415 1.00 0.00 H new ATOM 0 HD22 LEU B 56 1.882 -16.313 3.889 1.00 0.00 H new ATOM 0 HD23 LEU B 56 2.092 -14.723 4.660 1.00 0.00 H new ATOM 2356 N MET B 57 7.270 -14.830 4.409 1.00 0.00 N ATOM 2357 CA MET B 57 8.385 -15.310 5.220 1.00 0.00 C ATOM 2358 C MET B 57 8.640 -14.337 6.386 1.00 0.00 C ATOM 2359 O MET B 57 8.555 -14.712 7.557 1.00 0.00 O ATOM 2360 CB MET B 57 9.657 -15.505 4.378 1.00 0.00 C ATOM 2361 CG MET B 57 9.526 -16.369 3.114 1.00 0.00 C ATOM 2362 SD MET B 57 8.736 -18.001 3.226 1.00 0.00 S ATOM 2363 CE MET B 57 7.060 -17.652 2.629 1.00 0.00 C ATOM 0 H MET B 57 7.530 -14.488 3.484 1.00 0.00 H new ATOM 0 HA MET B 57 8.117 -16.286 5.625 1.00 0.00 H new ATOM 0 HB2 MET B 57 10.022 -14.522 4.081 1.00 0.00 H new ATOM 0 HB3 MET B 57 10.421 -15.949 5.015 1.00 0.00 H new ATOM 0 HG2 MET B 57 8.972 -15.788 2.377 1.00 0.00 H new ATOM 0 HG3 MET B 57 10.529 -16.518 2.714 1.00 0.00 H new ATOM 0 HE1 MET B 57 6.587 -18.581 2.309 1.00 0.00 H new ATOM 0 HE2 MET B 57 6.474 -17.204 3.431 1.00 0.00 H new ATOM 0 HE3 MET B 57 7.110 -16.962 1.787 1.00 0.00 H new ATOM 2373 N ASP B 58 8.940 -13.076 6.049 1.00 0.00 N ATOM 2374 CA ASP B 58 9.253 -11.979 6.967 1.00 0.00 C ATOM 2375 C ASP B 58 8.269 -11.933 8.129 1.00 0.00 C ATOM 2376 O ASP B 58 8.660 -11.639 9.254 1.00 0.00 O ATOM 2377 CB ASP B 58 9.193 -10.618 6.254 1.00 0.00 C ATOM 2378 CG ASP B 58 10.236 -10.401 5.163 1.00 0.00 C ATOM 2379 OD1 ASP B 58 11.167 -11.229 5.061 1.00 0.00 O ATOM 2380 OD2 ASP B 58 10.083 -9.379 4.457 1.00 0.00 O ATOM 0 H ASP B 58 8.972 -12.780 5.073 1.00 0.00 H new ATOM 0 HA ASP B 58 10.262 -12.166 7.335 1.00 0.00 H new ATOM 0 HB2 ASP B 58 8.203 -10.502 5.814 1.00 0.00 H new ATOM 0 HB3 ASP B 58 9.304 -9.831 7.000 1.00 0.00 H new ATOM 2385 N ASP B 59 7.000 -12.225 7.841 1.00 0.00 N ATOM 2386 CA ASP B 59 5.906 -12.317 8.794 1.00 0.00 C ATOM 2387 C ASP B 59 6.371 -12.955 10.103 1.00 0.00 C ATOM 2388 O ASP B 59 6.172 -12.377 11.172 1.00 0.00 O ATOM 2389 CB ASP B 59 4.801 -13.162 8.149 1.00 0.00 C ATOM 2390 CG ASP B 59 3.493 -13.121 8.917 1.00 0.00 C ATOM 2391 OD1 ASP B 59 3.506 -13.516 10.102 1.00 0.00 O ATOM 2392 OD2 ASP B 59 2.494 -12.716 8.287 1.00 0.00 O ATOM 0 H ASP B 59 6.697 -12.413 6.885 1.00 0.00 H new ATOM 0 HA ASP B 59 5.536 -11.321 9.036 1.00 0.00 H new ATOM 0 HB2 ASP B 59 4.629 -12.809 7.132 1.00 0.00 H new ATOM 0 HB3 ASP B 59 5.139 -14.196 8.075 1.00 0.00 H new ATOM 2397 N LEU B 60 7.014 -14.124 10.015 1.00 0.00 N ATOM 2398 CA LEU B 60 7.470 -14.861 11.185 1.00 0.00 C ATOM 2399 C LEU B 60 8.452 -14.016 11.996 1.00 0.00 C ATOM 2400 O LEU B 60 8.328 -13.918 13.215 1.00 0.00 O ATOM 2401 CB LEU B 60 8.132 -16.186 10.769 1.00 0.00 C ATOM 2402 CG LEU B 60 7.179 -17.321 10.351 1.00 0.00 C ATOM 2403 CD1 LEU B 60 6.234 -17.722 11.489 1.00 0.00 C ATOM 2404 CD2 LEU B 60 6.377 -17.015 9.082 1.00 0.00 C ATOM 0 H LEU B 60 7.230 -14.581 9.129 1.00 0.00 H new ATOM 0 HA LEU B 60 6.603 -15.087 11.805 1.00 0.00 H new ATOM 0 HB2 LEU B 60 8.809 -15.985 9.939 1.00 0.00 H new ATOM 0 HB3 LEU B 60 8.742 -16.540 11.600 1.00 0.00 H new ATOM 0 HG LEU B 60 7.830 -18.164 10.119 1.00 0.00 H new ATOM 0 HD11 LEU B 60 5.579 -18.525 11.152 1.00 0.00 H new ATOM 0 HD12 LEU B 60 6.818 -18.064 12.343 1.00 0.00 H new ATOM 0 HD13 LEU B 60 5.632 -16.862 11.782 1.00 0.00 H new ATOM 0 HD21 LEU B 60 5.728 -17.859 8.849 1.00 0.00 H new ATOM 0 HD22 LEU B 60 5.770 -16.124 9.241 1.00 0.00 H new ATOM 0 HD23 LEU B 60 7.062 -16.844 8.251 1.00 0.00 H new ATOM 2416 N ASP B 61 9.430 -13.409 11.319 1.00 0.00 N ATOM 2417 CA ASP B 61 10.440 -12.585 11.966 1.00 0.00 C ATOM 2418 C ASP B 61 9.784 -11.372 12.625 1.00 0.00 C ATOM 2419 O ASP B 61 9.964 -11.133 13.816 1.00 0.00 O ATOM 2420 CB ASP B 61 11.514 -12.158 10.960 1.00 0.00 C ATOM 2421 CG ASP B 61 12.539 -11.245 11.626 1.00 0.00 C ATOM 2422 OD1 ASP B 61 13.397 -11.789 12.354 1.00 0.00 O ATOM 2423 OD2 ASP B 61 12.434 -10.020 11.405 1.00 0.00 O ATOM 0 H ASP B 61 9.539 -13.478 10.307 1.00 0.00 H new ATOM 0 HA ASP B 61 10.930 -13.172 12.743 1.00 0.00 H new ATOM 0 HB2 ASP B 61 12.012 -13.039 10.555 1.00 0.00 H new ATOM 0 HB3 ASP B 61 11.049 -11.641 10.121 1.00 0.00 H new ATOM 2428 N ARG B 62 9.007 -10.603 11.860 1.00 0.00 N ATOM 2429 CA ARG B 62 8.339 -9.428 12.401 1.00 0.00 C ATOM 2430 C ARG B 62 7.497 -9.810 13.618 1.00 0.00 C ATOM 2431 O ARG B 62 7.512 -9.116 14.630 1.00 0.00 O ATOM 2432 CB ARG B 62 7.473 -8.749 11.337 1.00 0.00 C ATOM 2433 CG ARG B 62 8.301 -8.245 10.146 1.00 0.00 C ATOM 2434 CD ARG B 62 7.480 -7.252 9.318 1.00 0.00 C ATOM 2435 NE ARG B 62 7.289 -6.001 10.063 1.00 0.00 N ATOM 2436 CZ ARG B 62 6.268 -5.148 9.916 1.00 0.00 C ATOM 2437 NH1 ARG B 62 5.299 -5.361 9.026 1.00 0.00 N ATOM 2438 NH2 ARG B 62 6.201 -4.060 10.679 1.00 0.00 N ATOM 0 H ARG B 62 8.828 -10.775 10.871 1.00 0.00 H new ATOM 0 HA ARG B 62 9.102 -8.716 12.715 1.00 0.00 H new ATOM 0 HB2 ARG B 62 6.720 -9.452 10.981 1.00 0.00 H new ATOM 0 HB3 ARG B 62 6.940 -7.911 11.786 1.00 0.00 H new ATOM 0 HG2 ARG B 62 9.213 -7.766 10.503 1.00 0.00 H new ATOM 0 HG3 ARG B 62 8.606 -9.086 9.523 1.00 0.00 H new ATOM 0 HD2 ARG B 62 7.987 -7.048 8.375 1.00 0.00 H new ATOM 0 HD3 ARG B 62 6.512 -7.687 9.071 1.00 0.00 H new ATOM 0 HE ARG B 62 7.999 -5.760 10.755 1.00 0.00 H new ATOM 0 HH11 ARG B 62 5.323 -6.192 8.435 1.00 0.00 H new ATOM 0 HH12 ARG B 62 4.533 -4.693 8.936 1.00 0.00 H new ATOM 0 HH21 ARG B 62 6.926 -3.878 11.373 1.00 0.00 H new ATOM 0 HH22 ARG B 62 5.425 -3.408 10.570 1.00 0.00 H new ATOM 2452 N ASN B 63 6.794 -10.941 13.537 1.00 0.00 N ATOM 2453 CA ASN B 63 5.969 -11.424 14.634 1.00 0.00 C ATOM 2454 C ASN B 63 6.766 -12.286 15.615 1.00 0.00 C ATOM 2455 O ASN B 63 6.186 -13.149 16.271 1.00 0.00 O ATOM 2456 CB ASN B 63 4.723 -12.144 14.105 1.00 0.00 C ATOM 2457 CG ASN B 63 3.762 -11.184 13.411 1.00 0.00 C ATOM 2458 OD1 ASN B 63 2.776 -10.742 13.991 1.00 0.00 O ATOM 2459 ND2 ASN B 63 4.034 -10.849 12.157 1.00 0.00 N ATOM 0 H ASN B 63 6.783 -11.541 12.712 1.00 0.00 H new ATOM 0 HA ASN B 63 5.629 -10.557 15.200 1.00 0.00 H new ATOM 0 HB2 ASN B 63 5.024 -12.924 13.406 1.00 0.00 H new ATOM 0 HB3 ASN B 63 4.210 -12.637 14.931 1.00 0.00 H new ATOM 0 HD21 ASN B 63 3.417 -10.211 11.654 1.00 0.00 H new ATOM 0 HD22 ASN B 63 4.860 -11.229 11.695 1.00 0.00 H new ATOM 2517 N GLU B 67 2.499 -10.372 18.264 1.00 0.00 N ATOM 2518 CA GLU B 67 1.577 -9.358 17.780 1.00 0.00 C ATOM 2519 C GLU B 67 2.332 -8.241 17.053 1.00 0.00 C ATOM 2520 O GLU B 67 3.509 -7.998 17.316 1.00 0.00 O ATOM 2521 CB GLU B 67 0.757 -8.787 18.949 1.00 0.00 C ATOM 2522 CG GLU B 67 -0.363 -9.733 19.407 1.00 0.00 C ATOM 2523 CD GLU B 67 0.157 -11.052 19.969 1.00 0.00 C ATOM 2524 OE1 GLU B 67 0.745 -11.007 21.071 1.00 0.00 O ATOM 2525 OE2 GLU B 67 -0.039 -12.080 19.285 1.00 0.00 O ATOM 0 HA GLU B 67 0.894 -9.821 17.068 1.00 0.00 H new ATOM 0 HB2 GLU B 67 1.422 -8.585 19.789 1.00 0.00 H new ATOM 0 HB3 GLU B 67 0.322 -7.833 18.650 1.00 0.00 H new ATOM 0 HG2 GLU B 67 -0.964 -9.233 20.167 1.00 0.00 H new ATOM 0 HG3 GLU B 67 -1.023 -9.939 18.564 1.00 0.00 H new ATOM 2532 N VAL B 68 1.617 -7.544 16.168 1.00 0.00 N ATOM 2533 CA VAL B 68 2.011 -6.306 15.515 1.00 0.00 C ATOM 2534 C VAL B 68 0.837 -5.334 15.671 1.00 0.00 C ATOM 2535 O VAL B 68 -0.294 -5.771 15.903 1.00 0.00 O ATOM 2536 CB VAL B 68 2.346 -6.536 14.030 1.00 0.00 C ATOM 2537 CG1 VAL B 68 3.674 -7.272 13.839 1.00 0.00 C ATOM 2538 CG2 VAL B 68 1.232 -7.275 13.288 1.00 0.00 C ATOM 0 H VAL B 68 0.691 -7.853 15.874 1.00 0.00 H new ATOM 0 HA VAL B 68 2.915 -5.902 15.971 1.00 0.00 H new ATOM 0 HB VAL B 68 2.442 -5.540 13.597 1.00 0.00 H new ATOM 0 HG11 VAL B 68 3.864 -7.409 12.775 1.00 0.00 H new ATOM 0 HG12 VAL B 68 4.481 -6.686 14.279 1.00 0.00 H new ATOM 0 HG13 VAL B 68 3.624 -8.245 14.327 1.00 0.00 H new ATOM 0 HG21 VAL B 68 1.518 -7.412 12.245 1.00 0.00 H new ATOM 0 HG22 VAL B 68 1.070 -8.249 13.751 1.00 0.00 H new ATOM 0 HG23 VAL B 68 0.312 -6.692 13.339 1.00 0.00 H new ATOM 2548 N ASN B 69 1.105 -4.029 15.553 1.00 0.00 N ATOM 2549 CA ASN B 69 0.094 -2.976 15.626 1.00 0.00 C ATOM 2550 C ASN B 69 -0.305 -2.498 14.231 1.00 0.00 C ATOM 2551 O ASN B 69 0.308 -2.888 13.237 1.00 0.00 O ATOM 2552 CB ASN B 69 0.558 -1.804 16.512 1.00 0.00 C ATOM 2553 CG ASN B 69 1.188 -0.659 15.717 1.00 0.00 C ATOM 2554 OD1 ASN B 69 2.068 -0.880 14.894 1.00 0.00 O ATOM 2555 ND2 ASN B 69 0.726 0.574 15.910 1.00 0.00 N ATOM 0 H ASN B 69 2.048 -3.672 15.401 1.00 0.00 H new ATOM 0 HA ASN B 69 -0.792 -3.404 16.096 1.00 0.00 H new ATOM 0 HB2 ASN B 69 -0.295 -1.422 17.073 1.00 0.00 H new ATOM 0 HB3 ASN B 69 1.280 -2.172 17.241 1.00 0.00 H new ATOM 0 HD21 ASN B 69 1.105 1.351 15.369 1.00 0.00 H new ATOM 0 HD22 ASN B 69 -0.007 0.742 16.599 1.00 0.00 H new ATOM 2562 N PHE B 70 -1.297 -1.605 14.181 1.00 0.00 N ATOM 2563 CA PHE B 70 -1.715 -0.911 12.970 1.00 0.00 C ATOM 2564 C PHE B 70 -0.528 -0.467 12.105 1.00 0.00 C ATOM 2565 O PHE B 70 -0.380 -0.954 10.988 1.00 0.00 O ATOM 2566 CB PHE B 70 -2.646 0.256 13.326 1.00 0.00 C ATOM 2567 CG PHE B 70 -3.170 1.027 12.129 1.00 0.00 C ATOM 2568 CD1 PHE B 70 -3.959 0.374 11.164 1.00 0.00 C ATOM 2569 CD2 PHE B 70 -2.892 2.400 11.988 1.00 0.00 C ATOM 2570 CE1 PHE B 70 -4.477 1.088 10.071 1.00 0.00 C ATOM 2571 CE2 PHE B 70 -3.407 3.113 10.891 1.00 0.00 C ATOM 2572 CZ PHE B 70 -4.195 2.458 9.929 1.00 0.00 C ATOM 0 H PHE B 70 -1.841 -1.342 15.002 1.00 0.00 H new ATOM 0 HA PHE B 70 -2.274 -1.617 12.355 1.00 0.00 H new ATOM 0 HB2 PHE B 70 -3.493 -0.131 13.893 1.00 0.00 H new ATOM 0 HB3 PHE B 70 -2.112 0.944 13.981 1.00 0.00 H new ATOM 0 HD1 PHE B 70 -4.167 -0.681 11.264 1.00 0.00 H new ATOM 0 HD2 PHE B 70 -2.283 2.906 12.723 1.00 0.00 H new ATOM 0 HE1 PHE B 70 -5.092 0.585 9.340 1.00 0.00 H new ATOM 0 HE2 PHE B 70 -3.196 4.167 10.787 1.00 0.00 H new ATOM 0 HZ PHE B 70 -4.583 3.006 9.083 1.00 0.00 H new ATOM 2582 N GLN B 71 0.340 0.432 12.585 1.00 0.00 N ATOM 2583 CA GLN B 71 1.411 0.949 11.732 1.00 0.00 C ATOM 2584 C GLN B 71 2.355 -0.165 11.270 1.00 0.00 C ATOM 2585 O GLN B 71 2.829 -0.133 10.138 1.00 0.00 O ATOM 2586 CB GLN B 71 2.189 2.096 12.395 1.00 0.00 C ATOM 2587 CG GLN B 71 2.988 2.909 11.352 1.00 0.00 C ATOM 2588 CD GLN B 71 2.076 3.671 10.393 1.00 0.00 C ATOM 2589 OE1 GLN B 71 1.043 4.188 10.805 1.00 0.00 O ATOM 2590 NE2 GLN B 71 2.421 3.754 9.111 1.00 0.00 N ATOM 0 H GLN B 71 0.323 0.807 13.533 1.00 0.00 H new ATOM 0 HA GLN B 71 0.926 1.363 10.848 1.00 0.00 H new ATOM 0 HB2 GLN B 71 1.495 2.754 12.918 1.00 0.00 H new ATOM 0 HB3 GLN B 71 2.870 1.691 13.143 1.00 0.00 H new ATOM 0 HG2 GLN B 71 3.642 3.614 11.866 1.00 0.00 H new ATOM 0 HG3 GLN B 71 3.630 2.236 10.783 1.00 0.00 H new ATOM 0 HE21 GLN B 71 3.284 3.318 8.786 1.00 0.00 H new ATOM 0 HE22 GLN B 71 1.823 4.254 8.453 1.00 0.00 H new ATOM 2599 N GLU B 72 2.636 -1.159 12.112 1.00 0.00 N ATOM 2600 CA GLU B 72 3.450 -2.291 11.695 1.00 0.00 C ATOM 2601 C GLU B 72 2.763 -3.068 10.560 1.00 0.00 C ATOM 2602 O GLU B 72 3.416 -3.426 9.576 1.00 0.00 O ATOM 2603 CB GLU B 72 3.777 -3.179 12.901 1.00 0.00 C ATOM 2604 CG GLU B 72 4.737 -2.510 13.902 1.00 0.00 C ATOM 2605 CD GLU B 72 6.122 -2.255 13.316 1.00 0.00 C ATOM 2606 OE1 GLU B 72 6.890 -3.238 13.220 1.00 0.00 O ATOM 2607 OE2 GLU B 72 6.380 -1.089 12.950 1.00 0.00 O ATOM 0 H GLU B 72 2.313 -1.200 13.079 1.00 0.00 H new ATOM 0 HA GLU B 72 4.396 -1.925 11.295 1.00 0.00 H new ATOM 0 HB2 GLU B 72 2.851 -3.440 13.414 1.00 0.00 H new ATOM 0 HB3 GLU B 72 4.220 -4.111 12.549 1.00 0.00 H new ATOM 0 HG2 GLU B 72 4.308 -1.564 14.232 1.00 0.00 H new ATOM 0 HG3 GLU B 72 4.832 -3.142 14.785 1.00 0.00 H new ATOM 2614 N TYR B 73 1.449 -3.301 10.658 1.00 0.00 N ATOM 2615 CA TYR B 73 0.667 -3.856 9.555 1.00 0.00 C ATOM 2616 C TYR B 73 0.821 -2.972 8.309 1.00 0.00 C ATOM 2617 O TYR B 73 1.168 -3.460 7.233 1.00 0.00 O ATOM 2618 CB TYR B 73 -0.806 -4.036 9.973 1.00 0.00 C ATOM 2619 CG TYR B 73 -1.840 -3.791 8.884 1.00 0.00 C ATOM 2620 CD1 TYR B 73 -2.167 -4.802 7.960 1.00 0.00 C ATOM 2621 CD2 TYR B 73 -2.510 -2.554 8.819 1.00 0.00 C ATOM 2622 CE1 TYR B 73 -3.195 -4.593 7.022 1.00 0.00 C ATOM 2623 CE2 TYR B 73 -3.501 -2.331 7.851 1.00 0.00 C ATOM 2624 CZ TYR B 73 -3.883 -3.368 6.986 1.00 0.00 C ATOM 2625 OH TYR B 73 -4.942 -3.205 6.143 1.00 0.00 O ATOM 0 H TYR B 73 0.904 -3.111 11.499 1.00 0.00 H new ATOM 0 HA TYR B 73 1.045 -4.847 9.302 1.00 0.00 H new ATOM 0 HB2 TYR B 73 -0.936 -5.051 10.349 1.00 0.00 H new ATOM 0 HB3 TYR B 73 -1.013 -3.360 10.803 1.00 0.00 H new ATOM 0 HD1 TYR B 73 -1.629 -5.738 7.971 1.00 0.00 H new ATOM 0 HD2 TYR B 73 -2.259 -1.771 9.519 1.00 0.00 H new ATOM 0 HE1 TYR B 73 -3.456 -5.377 6.327 1.00 0.00 H new ATOM 0 HE2 TYR B 73 -3.970 -1.361 7.772 1.00 0.00 H new ATOM 0 HH TYR B 73 -5.516 -2.483 6.475 1.00 0.00 H new ATOM 2635 N ILE B 74 0.601 -1.664 8.453 1.00 0.00 N ATOM 2636 CA ILE B 74 0.765 -0.714 7.361 1.00 0.00 C ATOM 2637 C ILE B 74 2.179 -0.817 6.774 1.00 0.00 C ATOM 2638 O ILE B 74 2.345 -0.720 5.563 1.00 0.00 O ATOM 2639 CB ILE B 74 0.439 0.718 7.823 1.00 0.00 C ATOM 2640 CG1 ILE B 74 -1.015 0.921 8.295 1.00 0.00 C ATOM 2641 CG2 ILE B 74 0.735 1.719 6.711 1.00 0.00 C ATOM 2642 CD1 ILE B 74 -2.057 0.861 7.174 1.00 0.00 C ATOM 0 H ILE B 74 0.304 -1.238 9.331 1.00 0.00 H new ATOM 0 HA ILE B 74 0.057 -0.964 6.570 1.00 0.00 H new ATOM 0 HB ILE B 74 1.081 0.888 8.687 1.00 0.00 H new ATOM 0 HG12 ILE B 74 -1.253 0.159 9.037 1.00 0.00 H new ATOM 0 HG13 ILE B 74 -1.091 1.887 8.794 1.00 0.00 H new ATOM 0 HG21 ILE B 74 0.499 2.726 7.055 1.00 0.00 H new ATOM 0 HG22 ILE B 74 1.791 1.665 6.444 1.00 0.00 H new ATOM 0 HG23 ILE B 74 0.128 1.482 5.837 1.00 0.00 H new ATOM 0 HD11 ILE B 74 -3.052 1.013 7.593 1.00 0.00 H new ATOM 0 HD12 ILE B 74 -1.849 1.641 6.441 1.00 0.00 H new ATOM 0 HD13 ILE B 74 -2.013 -0.114 6.689 1.00 0.00 H new ATOM 2654 N THR B 75 3.198 -1.035 7.605 1.00 0.00 N ATOM 2655 CA THR B 75 4.567 -1.235 7.149 1.00 0.00 C ATOM 2656 C THR B 75 4.678 -2.519 6.327 1.00 0.00 C ATOM 2657 O THR B 75 5.400 -2.539 5.335 1.00 0.00 O ATOM 2658 CB THR B 75 5.546 -1.207 8.330 1.00 0.00 C ATOM 2659 OG1 THR B 75 5.379 -0.004 9.051 1.00 0.00 O ATOM 2660 CG2 THR B 75 7.005 -1.283 7.871 1.00 0.00 C ATOM 0 H THR B 75 3.093 -1.077 8.619 1.00 0.00 H new ATOM 0 HA THR B 75 4.843 -0.410 6.492 1.00 0.00 H new ATOM 0 HB THR B 75 5.328 -2.077 8.950 1.00 0.00 H new ATOM 0 HG1 THR B 75 4.508 -0.010 9.500 1.00 0.00 H new ATOM 0 HG21 THR B 75 7.662 -1.260 8.741 1.00 0.00 H new ATOM 0 HG22 THR B 75 7.165 -2.210 7.320 1.00 0.00 H new ATOM 0 HG23 THR B 75 7.228 -0.434 7.225 1.00 0.00 H new ATOM 2668 N PHE B 76 3.951 -3.579 6.700 1.00 0.00 N ATOM 2669 CA PHE B 76 3.890 -4.799 5.899 1.00 0.00 C ATOM 2670 C PHE B 76 3.426 -4.443 4.483 1.00 0.00 C ATOM 2671 O PHE B 76 4.099 -4.754 3.500 1.00 0.00 O ATOM 2672 CB PHE B 76 2.956 -5.831 6.564 1.00 0.00 C ATOM 2673 CG PHE B 76 3.157 -7.285 6.174 1.00 0.00 C ATOM 2674 CD1 PHE B 76 4.391 -7.923 6.419 1.00 0.00 C ATOM 2675 CD2 PHE B 76 2.040 -8.063 5.805 1.00 0.00 C ATOM 2676 CE1 PHE B 76 4.499 -9.321 6.319 1.00 0.00 C ATOM 2677 CE2 PHE B 76 2.148 -9.461 5.709 1.00 0.00 C ATOM 2678 CZ PHE B 76 3.377 -10.090 5.967 1.00 0.00 C ATOM 0 H PHE B 76 3.396 -3.612 7.555 1.00 0.00 H new ATOM 0 HA PHE B 76 4.879 -5.254 5.836 1.00 0.00 H new ATOM 0 HB2 PHE B 76 3.073 -5.749 7.645 1.00 0.00 H new ATOM 0 HB3 PHE B 76 1.927 -5.556 6.334 1.00 0.00 H new ATOM 0 HD1 PHE B 76 5.257 -7.335 6.685 1.00 0.00 H new ATOM 0 HD2 PHE B 76 1.096 -7.582 5.595 1.00 0.00 H new ATOM 0 HE1 PHE B 76 5.445 -9.804 6.513 1.00 0.00 H new ATOM 0 HE2 PHE B 76 1.286 -10.052 5.437 1.00 0.00 H new ATOM 0 HZ PHE B 76 3.460 -11.164 5.895 1.00 0.00 H new ATOM 2688 N LEU B 77 2.293 -3.739 4.388 1.00 0.00 N ATOM 2689 CA LEU B 77 1.737 -3.317 3.105 1.00 0.00 C ATOM 2690 C LEU B 77 2.689 -2.373 2.362 1.00 0.00 C ATOM 2691 O LEU B 77 2.899 -2.514 1.161 1.00 0.00 O ATOM 2692 CB LEU B 77 0.369 -2.650 3.296 1.00 0.00 C ATOM 2693 CG LEU B 77 -0.681 -3.524 4.001 1.00 0.00 C ATOM 2694 CD1 LEU B 77 -2.016 -2.773 3.976 1.00 0.00 C ATOM 2695 CD2 LEU B 77 -0.853 -4.896 3.336 1.00 0.00 C ATOM 0 H LEU B 77 1.741 -3.449 5.195 1.00 0.00 H new ATOM 0 HA LEU B 77 1.608 -4.212 2.496 1.00 0.00 H new ATOM 0 HB2 LEU B 77 0.504 -1.734 3.871 1.00 0.00 H new ATOM 0 HB3 LEU B 77 -0.017 -2.359 2.319 1.00 0.00 H new ATOM 0 HG LEU B 77 -0.344 -3.709 5.021 1.00 0.00 H new ATOM 0 HD11 LEU B 77 -2.780 -3.373 4.471 1.00 0.00 H new ATOM 0 HD12 LEU B 77 -1.908 -1.821 4.496 1.00 0.00 H new ATOM 0 HD13 LEU B 77 -2.311 -2.590 2.943 1.00 0.00 H new ATOM 0 HD21 LEU B 77 -1.606 -5.470 3.876 1.00 0.00 H new ATOM 0 HD22 LEU B 77 -1.171 -4.762 2.302 1.00 0.00 H new ATOM 0 HD23 LEU B 77 0.096 -5.432 3.357 1.00 0.00 H new ATOM 2707 N GLY B 78 3.264 -1.398 3.063 1.00 0.00 N ATOM 2708 CA GLY B 78 4.168 -0.418 2.486 1.00 0.00 C ATOM 2709 C GLY B 78 5.399 -1.101 1.898 1.00 0.00 C ATOM 2710 O GLY B 78 5.792 -0.828 0.767 1.00 0.00 O ATOM 0 H GLY B 78 3.109 -1.269 4.063 1.00 0.00 H new ATOM 0 HA2 GLY B 78 3.653 0.146 1.709 1.00 0.00 H new ATOM 0 HA3 GLY B 78 4.473 0.297 3.250 1.00 0.00 H new ATOM 2714 N ALA B 79 6.011 -2.003 2.662 1.00 0.00 N ATOM 2715 CA ALA B 79 7.158 -2.764 2.205 1.00 0.00 C ATOM 2716 C ALA B 79 6.760 -3.688 1.048 1.00 0.00 C ATOM 2717 O ALA B 79 7.499 -3.791 0.074 1.00 0.00 O ATOM 2718 CB ALA B 79 7.782 -3.508 3.387 1.00 0.00 C ATOM 0 H ALA B 79 5.721 -2.223 3.615 1.00 0.00 H new ATOM 0 HA ALA B 79 7.921 -2.094 1.809 1.00 0.00 H new ATOM 0 HB1 ALA B 79 8.644 -4.080 3.043 1.00 0.00 H new ATOM 0 HB2 ALA B 79 8.101 -2.789 4.142 1.00 0.00 H new ATOM 0 HB3 ALA B 79 7.046 -4.186 3.820 1.00 0.00 H new ATOM 2724 N LEU B 80 5.593 -4.338 1.119 1.00 0.00 N ATOM 2725 CA LEU B 80 5.082 -5.147 0.013 1.00 0.00 C ATOM 2726 C LEU B 80 5.041 -4.306 -1.265 1.00 0.00 C ATOM 2727 O LEU B 80 5.647 -4.655 -2.282 1.00 0.00 O ATOM 2728 CB LEU B 80 3.682 -5.685 0.360 1.00 0.00 C ATOM 2729 CG LEU B 80 3.084 -6.551 -0.755 1.00 0.00 C ATOM 2730 CD1 LEU B 80 3.754 -7.918 -0.773 1.00 0.00 C ATOM 2731 CD2 LEU B 80 1.581 -6.752 -0.550 1.00 0.00 C ATOM 0 H LEU B 80 4.984 -4.317 1.937 1.00 0.00 H new ATOM 0 HA LEU B 80 5.744 -5.997 -0.152 1.00 0.00 H new ATOM 0 HB2 LEU B 80 3.740 -6.271 1.277 1.00 0.00 H new ATOM 0 HB3 LEU B 80 3.015 -4.846 0.560 1.00 0.00 H new ATOM 0 HG LEU B 80 3.253 -6.034 -1.700 1.00 0.00 H new ATOM 0 HD11 LEU B 80 3.322 -8.525 -1.569 1.00 0.00 H new ATOM 0 HD12 LEU B 80 4.823 -7.797 -0.949 1.00 0.00 H new ATOM 0 HD13 LEU B 80 3.598 -8.412 0.186 1.00 0.00 H new ATOM 0 HD21 LEU B 80 1.183 -7.370 -1.355 1.00 0.00 H new ATOM 0 HD22 LEU B 80 1.407 -7.246 0.406 1.00 0.00 H new ATOM 0 HD23 LEU B 80 1.080 -5.784 -0.555 1.00 0.00 H new ATOM 2743 N ALA B 81 4.321 -3.185 -1.178 1.00 0.00 N ATOM 2744 CA ALA B 81 4.211 -2.197 -2.230 1.00 0.00 C ATOM 2745 C ALA B 81 5.594 -1.845 -2.760 1.00 0.00 C ATOM 2746 O ALA B 81 5.800 -1.889 -3.970 1.00 0.00 O ATOM 2747 CB ALA B 81 3.476 -0.960 -1.712 1.00 0.00 C ATOM 0 H ALA B 81 3.786 -2.941 -0.344 1.00 0.00 H new ATOM 0 HA ALA B 81 3.631 -2.609 -3.056 1.00 0.00 H new ATOM 0 HB1 ALA B 81 3.398 -0.222 -2.510 1.00 0.00 H new ATOM 0 HB2 ALA B 81 2.477 -1.243 -1.380 1.00 0.00 H new ATOM 0 HB3 ALA B 81 4.028 -0.532 -0.875 1.00 0.00 H new ATOM 2753 N MET B 82 6.525 -1.511 -1.865 1.00 0.00 N ATOM 2754 CA MET B 82 7.879 -1.134 -2.229 1.00 0.00 C ATOM 2755 C MET B 82 8.580 -2.240 -3.020 1.00 0.00 C ATOM 2756 O MET B 82 9.185 -1.962 -4.054 1.00 0.00 O ATOM 2757 CB MET B 82 8.664 -0.728 -0.975 1.00 0.00 C ATOM 2758 CG MET B 82 9.986 -0.039 -1.334 1.00 0.00 C ATOM 2759 SD MET B 82 11.071 0.356 0.061 1.00 0.00 S ATOM 2760 CE MET B 82 10.008 1.466 1.009 1.00 0.00 C ATOM 0 H MET B 82 6.352 -1.496 -0.860 1.00 0.00 H new ATOM 0 HA MET B 82 7.834 -0.270 -2.892 1.00 0.00 H new ATOM 0 HB2 MET B 82 8.057 -0.057 -0.367 1.00 0.00 H new ATOM 0 HB3 MET B 82 8.866 -1.612 -0.370 1.00 0.00 H new ATOM 0 HG2 MET B 82 10.533 -0.681 -2.025 1.00 0.00 H new ATOM 0 HG3 MET B 82 9.760 0.884 -1.867 1.00 0.00 H new ATOM 0 HE1 MET B 82 10.589 1.936 1.803 1.00 0.00 H new ATOM 0 HE2 MET B 82 9.605 2.235 0.350 1.00 0.00 H new ATOM 0 HE3 MET B 82 9.188 0.898 1.448 1.00 0.00 H new ATOM 2770 N ILE B 83 8.538 -3.486 -2.536 1.00 0.00 N ATOM 2771 CA ILE B 83 9.259 -4.562 -3.200 1.00 0.00 C ATOM 2772 C ILE B 83 8.677 -4.824 -4.593 1.00 0.00 C ATOM 2773 O ILE B 83 9.454 -4.889 -5.547 1.00 0.00 O ATOM 2774 CB ILE B 83 9.385 -5.838 -2.348 1.00 0.00 C ATOM 2775 CG1 ILE B 83 10.169 -5.589 -1.047 1.00 0.00 C ATOM 2776 CG2 ILE B 83 10.141 -6.911 -3.151 1.00 0.00 C ATOM 2777 CD1 ILE B 83 10.213 -6.840 -0.156 1.00 0.00 C ATOM 0 H ILE B 83 8.021 -3.765 -1.702 1.00 0.00 H new ATOM 0 HA ILE B 83 10.287 -4.224 -3.330 1.00 0.00 H new ATOM 0 HB ILE B 83 8.375 -6.160 -2.095 1.00 0.00 H new ATOM 0 HG12 ILE B 83 11.186 -5.280 -1.289 1.00 0.00 H new ATOM 0 HG13 ILE B 83 9.709 -4.768 -0.497 1.00 0.00 H new ATOM 0 HG21 ILE B 83 10.233 -7.817 -2.552 1.00 0.00 H new ATOM 0 HG22 ILE B 83 9.592 -7.135 -4.066 1.00 0.00 H new ATOM 0 HG23 ILE B 83 11.135 -6.542 -3.406 1.00 0.00 H new ATOM 0 HD11 ILE B 83 10.776 -6.621 0.751 1.00 0.00 H new ATOM 0 HD12 ILE B 83 9.197 -7.134 0.109 1.00 0.00 H new ATOM 0 HD13 ILE B 83 10.697 -7.654 -0.695 1.00 0.00 H new ATOM 2789 N TYR B 84 7.353 -5.012 -4.737 1.00 0.00 N ATOM 2790 CA TYR B 84 6.819 -5.324 -6.066 1.00 0.00 C ATOM 2791 C TYR B 84 6.746 -4.097 -6.985 1.00 0.00 C ATOM 2792 O TYR B 84 7.111 -4.195 -8.155 1.00 0.00 O ATOM 2793 CB TYR B 84 5.637 -6.317 -6.105 1.00 0.00 C ATOM 2794 CG TYR B 84 4.413 -6.150 -5.221 1.00 0.00 C ATOM 2795 CD1 TYR B 84 3.820 -4.892 -5.017 1.00 0.00 C ATOM 2796 CD2 TYR B 84 3.699 -7.310 -4.860 1.00 0.00 C ATOM 2797 CE1 TYR B 84 2.537 -4.801 -4.446 1.00 0.00 C ATOM 2798 CE2 TYR B 84 2.440 -7.222 -4.250 1.00 0.00 C ATOM 2799 CZ TYR B 84 1.845 -5.962 -4.068 1.00 0.00 C ATOM 2800 OH TYR B 84 0.605 -5.856 -3.514 1.00 0.00 O ATOM 0 H TYR B 84 6.665 -4.956 -3.986 1.00 0.00 H new ATOM 0 HA TYR B 84 7.576 -5.947 -6.543 1.00 0.00 H new ATOM 0 HB2 TYR B 84 5.280 -6.339 -7.135 1.00 0.00 H new ATOM 0 HB3 TYR B 84 6.048 -7.303 -5.889 1.00 0.00 H new ATOM 0 HD1 TYR B 84 4.350 -3.994 -5.299 1.00 0.00 H new ATOM 0 HD2 TYR B 84 4.128 -8.281 -5.056 1.00 0.00 H new ATOM 0 HE1 TYR B 84 2.082 -3.833 -4.298 1.00 0.00 H new ATOM 0 HE2 TYR B 84 1.931 -8.116 -3.922 1.00 0.00 H new ATOM 0 HH TYR B 84 0.261 -6.750 -3.309 1.00 0.00 H new ATOM 2810 N ASN B 85 6.383 -2.912 -6.478 1.00 0.00 N ATOM 2811 CA ASN B 85 6.520 -1.678 -7.253 1.00 0.00 C ATOM 2812 C ASN B 85 7.960 -1.207 -7.104 1.00 0.00 C ATOM 2813 O ASN B 85 8.215 -0.178 -6.480 1.00 0.00 O ATOM 2814 CB ASN B 85 5.551 -0.566 -6.823 1.00 0.00 C ATOM 2815 CG ASN B 85 4.094 -0.991 -6.864 1.00 0.00 C ATOM 2816 OD1 ASN B 85 3.405 -0.821 -7.863 1.00 0.00 O ATOM 2817 ND2 ASN B 85 3.615 -1.523 -5.749 1.00 0.00 N ATOM 0 H ASN B 85 5.996 -2.784 -5.543 1.00 0.00 H new ATOM 0 HA ASN B 85 6.267 -1.895 -8.291 1.00 0.00 H new ATOM 0 HB2 ASN B 85 5.801 -0.247 -5.811 1.00 0.00 H new ATOM 0 HB3 ASN B 85 5.689 0.298 -7.473 1.00 0.00 H new ATOM 0 HD21 ASN B 85 2.637 -1.809 -5.699 1.00 0.00 H new ATOM 0 HD22 ASN B 85 4.224 -1.647 -4.940 1.00 0.00 H new ATOM 2824 N GLU B 86 8.889 -1.970 -7.691 1.00 0.00 N ATOM 2825 CA GLU B 86 10.336 -1.799 -7.570 1.00 0.00 C ATOM 2826 C GLU B 86 10.763 -0.335 -7.632 1.00 0.00 C ATOM 2827 O GLU B 86 11.659 0.085 -6.906 1.00 0.00 O ATOM 2828 CB GLU B 86 11.051 -2.606 -8.660 1.00 0.00 C ATOM 2829 CG GLU B 86 10.830 -4.104 -8.430 1.00 0.00 C ATOM 2830 CD GLU B 86 11.494 -4.996 -9.474 1.00 0.00 C ATOM 2831 OE1 GLU B 86 12.342 -4.476 -10.231 1.00 0.00 O ATOM 2832 OE2 GLU B 86 11.137 -6.195 -9.486 1.00 0.00 O ATOM 0 H GLU B 86 8.639 -2.757 -8.289 1.00 0.00 H new ATOM 0 HA GLU B 86 10.623 -2.171 -6.587 1.00 0.00 H new ATOM 0 HB2 GLU B 86 10.674 -2.321 -9.642 1.00 0.00 H new ATOM 0 HB3 GLU B 86 12.118 -2.381 -8.650 1.00 0.00 H new ATOM 0 HG2 GLU B 86 11.211 -4.370 -7.444 1.00 0.00 H new ATOM 0 HG3 GLU B 86 9.759 -4.306 -8.423 1.00 0.00 H new ATOM 2839 N ALA B 87 10.101 0.434 -8.497 1.00 0.00 N ATOM 2840 CA ALA B 87 10.224 1.877 -8.593 1.00 0.00 C ATOM 2841 C ALA B 87 10.434 2.548 -7.227 1.00 0.00 C ATOM 2842 O ALA B 87 11.395 3.289 -7.020 1.00 0.00 O ATOM 2843 CB ALA B 87 8.949 2.417 -9.252 1.00 0.00 C ATOM 0 H ALA B 87 9.441 0.048 -9.172 1.00 0.00 H new ATOM 0 HA ALA B 87 11.107 2.110 -9.188 1.00 0.00 H new ATOM 0 HB1 ALA B 87 9.015 3.502 -9.337 1.00 0.00 H new ATOM 0 HB2 ALA B 87 8.840 1.981 -10.245 1.00 0.00 H new ATOM 0 HB3 ALA B 87 8.085 2.152 -8.643 1.00 0.00 H new ATOM 2849 N LEU B 88 9.534 2.267 -6.282 1.00 0.00 N ATOM 2850 CA LEU B 88 9.506 2.898 -4.969 1.00 0.00 C ATOM 2851 C LEU B 88 10.732 2.573 -4.114 1.00 0.00 C ATOM 2852 O LEU B 88 10.874 3.156 -3.045 1.00 0.00 O ATOM 2853 CB LEU B 88 8.235 2.476 -4.222 1.00 0.00 C ATOM 2854 CG LEU B 88 6.917 2.867 -4.904 1.00 0.00 C ATOM 2855 CD1 LEU B 88 5.761 2.289 -4.081 1.00 0.00 C ATOM 2856 CD2 LEU B 88 6.753 4.388 -5.006 1.00 0.00 C ATOM 0 H LEU B 88 8.791 1.580 -6.415 1.00 0.00 H new ATOM 0 HA LEU B 88 9.515 3.975 -5.138 1.00 0.00 H new ATOM 0 HB2 LEU B 88 8.251 1.394 -4.092 1.00 0.00 H new ATOM 0 HB3 LEU B 88 8.255 2.917 -3.225 1.00 0.00 H new ATOM 0 HG LEU B 88 6.920 2.468 -5.918 1.00 0.00 H new ATOM 0 HD11 LEU B 88 4.813 2.555 -4.548 1.00 0.00 H new ATOM 0 HD12 LEU B 88 5.852 1.204 -4.038 1.00 0.00 H new ATOM 0 HD13 LEU B 88 5.794 2.696 -3.071 1.00 0.00 H new ATOM 0 HD21 LEU B 88 5.807 4.620 -5.495 1.00 0.00 H new ATOM 0 HD22 LEU B 88 6.761 4.823 -4.006 1.00 0.00 H new ATOM 0 HD23 LEU B 88 7.574 4.804 -5.589 1.00 0.00 H new