USER MOD reduce.3.24.130724 H: found=0, std=0, add=1148, rem=0, adj=29 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: B 18 LYS NZ :NH3+ -175:sc= 0.7 (180deg=-0.111) USER MOD Set 1.2: B 19 TYR OH : rot 7:sc= 1.85 USER MOD Set 2.1: A 39 GLN : amide:sc= 0.343 K(o=0.99,f=-0.88) USER MOD Set 2.2: A 40 LYS NZ :NH3+ -171:sc= 0.649 (180deg=-0.138) USER MOD Single : A 3 SER OG : rot -170:sc= 0.102 USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 HIS : no HE2:sc= 0.274 K(o=0.27,f=-3!) USER MOD Single : A 18 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0126) USER MOD Single : A 19 TYR OH : rot 14:sc= 1.25 USER MOD Single : A 20 SER OG : rot 176:sc= 1.01 USER MOD Single : A 28 THR OG1 : rot 98:sc= 1.17 USER MOD Single : A 30 SER OG : rot 68:sc= 1.23 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ -166:sc= -0.0213 (180deg=-0.213) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ -118:sc= 0.0403 (180deg=-0.571) USER MOD Single : A 57 MET CE :methyl 154:sc= -0.0788 (180deg=-1.51) USER MOD Single : A 69 ASN : amide:sc= 1.94 K(o=1.9,f=-3.2!) USER MOD Single : A 71 GLN : amide:sc= -0.41 K(o=-0.41,f=-3.3!) USER MOD Single : A 73 TYR OH : rot 157:sc= 1.06 USER MOD Single : A 75 THR OG1 : rot 68:sc= 1.17 USER MOD Single : A 82 MET CE :methyl 179:sc= 0 (180deg=-0.00268) USER MOD Single : A 84 TYR OH : rot 25:sc= 1.12 USER MOD Single : A 85 ASN : amide:sc= -0.331 K(o=-0.33,f=-1.7) USER MOD Single : B 3 SER OG : rot -160:sc= 0.131 USER MOD Single : B 7 GLN : amide:sc= -0.125 X(o=-0.12,f=-0.12) USER MOD Single : B 17 HIS : no HD1:sc= -0.0364 X(o=-0.036,f=-0.14) USER MOD Single : B 20 SER OG : rot 172:sc= 0.736 USER MOD Single : B 27 HIS : no HD1:sc= -0.11 X(o=-0.11,f=-0.074) USER MOD Single : B 28 THR OG1 : rot 100:sc= 1.02 USER MOD Single : B 30 SER OG : rot 180:sc=0.000459 USER MOD Single : B 31 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0335) USER MOD Single : B 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 35 LYS NZ :NH3+ -175:sc=-0.00632 (180deg=-0.031) USER MOD Single : B 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 55 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.144) USER MOD Single : B 57 MET CE :methyl 160:sc= -0.0307 (180deg=-0.764) USER MOD Single : B 63 ASN : amide:sc= 0.581 K(o=0.58,f=-0.4) USER MOD Single : B 69 ASN : amide:sc= 1.33 K(o=1.3,f=-3.4!) USER MOD Single : B 71 GLN : amide:sc= -0.501 K(o=-0.5,f=-2.5!) USER MOD Single : B 73 TYR OH : rot 157:sc= 1.08 USER MOD Single : B 75 THR OG1 : rot 65:sc= 1.2 USER MOD Single : B 82 MET CE :methyl -173:sc= 0 (180deg=-0.0824) USER MOD Single : B 84 TYR OH : rot 180:sc= 0 USER MOD Single : B 85 ASN : amide:sc= 0.922 K(o=0.92,f=-0.0034) USER MOD ----------------------------------------------------------------- ATOM 20 N ALA A 2 -6.694 -6.734 -9.251 1.00 0.00 N ATOM 21 CA ALA A 2 -6.599 -5.628 -8.311 1.00 0.00 C ATOM 22 C ALA A 2 -7.557 -5.856 -7.139 1.00 0.00 C ATOM 23 O ALA A 2 -8.625 -5.250 -7.068 1.00 0.00 O ATOM 24 CB ALA A 2 -6.854 -4.294 -9.017 1.00 0.00 C ATOM 0 HA ALA A 2 -5.587 -5.583 -7.908 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -6.778 -3.480 -8.296 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -6.113 -4.151 -9.804 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -7.852 -4.299 -9.455 1.00 0.00 H new ATOM 30 N SER A 3 -7.171 -6.736 -6.213 1.00 0.00 N ATOM 31 CA SER A 3 -7.863 -6.951 -4.953 1.00 0.00 C ATOM 32 C SER A 3 -8.080 -5.618 -4.214 1.00 0.00 C ATOM 33 O SER A 3 -7.326 -4.674 -4.455 1.00 0.00 O ATOM 34 CB SER A 3 -7.002 -7.893 -4.107 1.00 0.00 C ATOM 35 OG SER A 3 -6.329 -8.844 -4.913 1.00 0.00 O ATOM 0 H SER A 3 -6.349 -7.329 -6.327 1.00 0.00 H new ATOM 0 HA SER A 3 -8.845 -7.387 -5.134 1.00 0.00 H new ATOM 0 HB2 SER A 3 -6.273 -7.312 -3.542 1.00 0.00 H new ATOM 0 HB3 SER A 3 -7.630 -8.409 -3.381 1.00 0.00 H new ATOM 0 HG SER A 3 -5.917 -9.524 -4.341 1.00 0.00 H new ATOM 41 N PRO A 4 -9.048 -5.516 -3.287 1.00 0.00 N ATOM 42 CA PRO A 4 -9.323 -4.281 -2.559 1.00 0.00 C ATOM 43 C PRO A 4 -8.058 -3.640 -1.981 1.00 0.00 C ATOM 44 O PRO A 4 -7.816 -2.450 -2.180 1.00 0.00 O ATOM 45 CB PRO A 4 -10.331 -4.651 -1.468 1.00 0.00 C ATOM 46 CG PRO A 4 -11.061 -5.852 -2.071 1.00 0.00 C ATOM 47 CD PRO A 4 -9.969 -6.563 -2.872 1.00 0.00 C ATOM 0 HA PRO A 4 -9.727 -3.522 -3.230 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -9.836 -4.907 -0.531 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -11.014 -3.829 -1.253 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -11.478 -6.498 -1.299 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -11.889 -5.541 -2.708 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -9.462 -7.313 -2.265 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -10.389 -7.081 -3.734 1.00 0.00 H new ATOM 55 N LEU A 5 -7.228 -4.435 -1.292 1.00 0.00 N ATOM 56 CA LEU A 5 -5.956 -3.937 -0.789 1.00 0.00 C ATOM 57 C LEU A 5 -5.065 -3.446 -1.924 1.00 0.00 C ATOM 58 O LEU A 5 -4.459 -2.390 -1.796 1.00 0.00 O ATOM 59 CB LEU A 5 -5.206 -4.999 0.030 1.00 0.00 C ATOM 60 CG LEU A 5 -5.306 -4.852 1.553 1.00 0.00 C ATOM 61 CD1 LEU A 5 -4.330 -5.848 2.197 1.00 0.00 C ATOM 62 CD2 LEU A 5 -4.943 -3.445 2.057 1.00 0.00 C ATOM 0 H LEU A 5 -7.418 -5.414 -1.076 1.00 0.00 H new ATOM 0 HA LEU A 5 -6.190 -3.099 -0.132 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -5.586 -5.982 -0.248 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -4.153 -4.973 -0.251 1.00 0.00 H new ATOM 0 HG LEU A 5 -6.344 -5.041 1.826 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -4.384 -5.761 3.282 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -4.597 -6.862 1.901 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -3.315 -5.629 1.866 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -5.035 -3.412 3.143 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -3.917 -3.210 1.773 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -5.619 -2.714 1.613 1.00 0.00 H new ATOM 74 N ASP A 6 -4.958 -4.201 -3.020 1.00 0.00 N ATOM 75 CA ASP A 6 -4.097 -3.825 -4.134 1.00 0.00 C ATOM 76 C ASP A 6 -4.528 -2.462 -4.674 1.00 0.00 C ATOM 77 O ASP A 6 -3.699 -1.577 -4.865 1.00 0.00 O ATOM 78 CB ASP A 6 -4.124 -4.894 -5.231 1.00 0.00 C ATOM 79 CG ASP A 6 -3.184 -4.525 -6.372 1.00 0.00 C ATOM 80 OD1 ASP A 6 -1.994 -4.894 -6.267 1.00 0.00 O ATOM 81 OD2 ASP A 6 -3.673 -3.880 -7.324 1.00 0.00 O ATOM 0 H ASP A 6 -5.460 -5.078 -3.156 1.00 0.00 H new ATOM 0 HA ASP A 6 -3.068 -3.751 -3.782 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -3.834 -5.858 -4.813 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -5.139 -5.004 -5.612 1.00 0.00 H new ATOM 86 N GLN A 7 -5.836 -2.286 -4.879 1.00 0.00 N ATOM 87 CA GLN A 7 -6.416 -1.023 -5.303 1.00 0.00 C ATOM 88 C GLN A 7 -6.073 0.093 -4.309 1.00 0.00 C ATOM 89 O GLN A 7 -5.589 1.153 -4.700 1.00 0.00 O ATOM 90 CB GLN A 7 -7.933 -1.204 -5.463 1.00 0.00 C ATOM 91 CG GLN A 7 -8.612 0.056 -6.013 1.00 0.00 C ATOM 92 CD GLN A 7 -10.115 -0.145 -6.167 1.00 0.00 C ATOM 93 OE1 GLN A 7 -10.648 -0.101 -7.270 1.00 0.00 O ATOM 94 NE2 GLN A 7 -10.818 -0.366 -5.058 1.00 0.00 N ATOM 0 H GLN A 7 -6.524 -3.029 -4.752 1.00 0.00 H new ATOM 0 HA GLN A 7 -5.997 -0.725 -6.264 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -8.129 -2.042 -6.132 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -8.371 -1.459 -4.498 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -8.422 0.895 -5.344 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -8.177 0.314 -6.979 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -10.347 -0.397 -4.154 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -11.827 -0.504 -5.113 1.00 0.00 H new ATOM 103 N ALA A 8 -6.344 -0.125 -3.020 1.00 0.00 N ATOM 104 CA ALA A 8 -6.152 0.888 -1.988 1.00 0.00 C ATOM 105 C ALA A 8 -4.675 1.292 -1.853 1.00 0.00 C ATOM 106 O ALA A 8 -4.335 2.474 -1.807 1.00 0.00 O ATOM 107 CB ALA A 8 -6.713 0.353 -0.674 1.00 0.00 C ATOM 0 H ALA A 8 -6.703 -1.011 -2.665 1.00 0.00 H new ATOM 0 HA ALA A 8 -6.687 1.795 -2.268 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -6.578 1.098 0.110 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -7.775 0.139 -0.792 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -6.187 -0.562 -0.399 1.00 0.00 H new ATOM 113 N ILE A 9 -3.785 0.301 -1.814 1.00 0.00 N ATOM 114 CA ILE A 9 -2.344 0.503 -1.873 1.00 0.00 C ATOM 115 C ILE A 9 -2.029 1.320 -3.127 1.00 0.00 C ATOM 116 O ILE A 9 -1.375 2.355 -3.037 1.00 0.00 O ATOM 117 CB ILE A 9 -1.627 -0.864 -1.837 1.00 0.00 C ATOM 118 CG1 ILE A 9 -1.746 -1.475 -0.427 1.00 0.00 C ATOM 119 CG2 ILE A 9 -0.152 -0.737 -2.238 1.00 0.00 C ATOM 120 CD1 ILE A 9 -1.362 -2.959 -0.392 1.00 0.00 C ATOM 0 H ILE A 9 -4.053 -0.680 -1.739 1.00 0.00 H new ATOM 0 HA ILE A 9 -1.980 1.062 -1.011 1.00 0.00 H new ATOM 0 HB ILE A 9 -2.110 -1.521 -2.561 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -1.105 -0.922 0.260 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -2.770 -1.360 -0.071 1.00 0.00 H new ATOM 0 HG21 ILE A 9 0.321 -1.718 -2.201 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -0.083 -0.339 -3.250 1.00 0.00 H new ATOM 0 HG23 ILE A 9 0.356 -0.064 -1.548 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -1.464 -3.337 0.625 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -2.019 -3.521 -1.056 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -0.329 -3.075 -0.720 1.00 0.00 H new ATOM 132 N GLY A 10 -2.527 0.877 -4.284 1.00 0.00 N ATOM 133 CA GLY A 10 -2.422 1.579 -5.555 1.00 0.00 C ATOM 134 C GLY A 10 -2.776 3.058 -5.417 1.00 0.00 C ATOM 135 O GLY A 10 -2.028 3.915 -5.877 1.00 0.00 O ATOM 0 H GLY A 10 -3.029 -0.008 -4.359 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -1.407 1.483 -5.941 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -3.085 1.113 -6.284 1.00 0.00 H new ATOM 139 N LEU A 11 -3.899 3.367 -4.766 1.00 0.00 N ATOM 140 CA LEU A 11 -4.296 4.735 -4.458 1.00 0.00 C ATOM 141 C LEU A 11 -3.199 5.464 -3.670 1.00 0.00 C ATOM 142 O LEU A 11 -2.735 6.513 -4.109 1.00 0.00 O ATOM 143 CB LEU A 11 -5.652 4.740 -3.731 1.00 0.00 C ATOM 144 CG LEU A 11 -6.832 4.846 -4.710 1.00 0.00 C ATOM 145 CD1 LEU A 11 -8.078 4.142 -4.158 1.00 0.00 C ATOM 146 CD2 LEU A 11 -7.160 6.321 -4.960 1.00 0.00 C ATOM 0 H LEU A 11 -4.562 2.666 -4.436 1.00 0.00 H new ATOM 0 HA LEU A 11 -4.423 5.288 -5.389 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -5.751 3.828 -3.142 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -5.685 5.576 -3.032 1.00 0.00 H new ATOM 0 HG LEU A 11 -6.543 4.360 -5.642 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -8.895 4.235 -4.873 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -7.857 3.087 -3.994 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -8.368 4.603 -3.214 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -7.997 6.395 -5.654 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -7.427 6.799 -4.018 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -6.290 6.820 -5.386 1.00 0.00 H new ATOM 158 N LEU A 12 -2.767 4.935 -2.519 1.00 0.00 N ATOM 159 CA LEU A 12 -1.746 5.602 -1.702 1.00 0.00 C ATOM 160 C LEU A 12 -0.443 5.821 -2.488 1.00 0.00 C ATOM 161 O LEU A 12 0.152 6.903 -2.420 1.00 0.00 O ATOM 162 CB LEU A 12 -1.494 4.839 -0.389 1.00 0.00 C ATOM 163 CG LEU A 12 -2.414 5.301 0.756 1.00 0.00 C ATOM 164 CD1 LEU A 12 -3.892 5.086 0.439 1.00 0.00 C ATOM 165 CD2 LEU A 12 -2.088 4.535 2.041 1.00 0.00 C ATOM 0 H LEU A 12 -3.106 4.053 -2.134 1.00 0.00 H new ATOM 0 HA LEU A 12 -2.131 6.587 -1.440 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.642 3.773 -0.560 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.454 4.973 -0.090 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.235 6.369 0.883 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -4.498 5.428 1.278 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -4.158 5.651 -0.455 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -4.077 4.026 0.267 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -2.746 4.872 2.842 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.235 3.468 1.875 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.051 4.720 2.321 1.00 0.00 H new ATOM 177 N ILE A 13 0.003 4.804 -3.230 1.00 0.00 N ATOM 178 CA ILE A 13 1.143 4.912 -4.137 1.00 0.00 C ATOM 179 C ILE A 13 0.911 6.048 -5.135 1.00 0.00 C ATOM 180 O ILE A 13 1.748 6.935 -5.262 1.00 0.00 O ATOM 181 CB ILE A 13 1.405 3.580 -4.869 1.00 0.00 C ATOM 182 CG1 ILE A 13 1.840 2.498 -3.867 1.00 0.00 C ATOM 183 CG2 ILE A 13 2.482 3.752 -5.958 1.00 0.00 C ATOM 184 CD1 ILE A 13 1.999 1.137 -4.547 1.00 0.00 C ATOM 0 H ILE A 13 -0.422 3.877 -3.216 1.00 0.00 H new ATOM 0 HA ILE A 13 2.031 5.139 -3.547 1.00 0.00 H new ATOM 0 HB ILE A 13 0.477 3.270 -5.349 1.00 0.00 H new ATOM 0 HG12 ILE A 13 2.783 2.787 -3.404 1.00 0.00 H new ATOM 0 HG13 ILE A 13 1.103 2.423 -3.068 1.00 0.00 H new ATOM 0 HG21 ILE A 13 2.648 2.798 -6.459 1.00 0.00 H new ATOM 0 HG22 ILE A 13 2.148 4.491 -6.686 1.00 0.00 H new ATOM 0 HG23 ILE A 13 3.412 4.088 -5.500 1.00 0.00 H new ATOM 0 HD11 ILE A 13 2.307 0.396 -3.810 1.00 0.00 H new ATOM 0 HD12 ILE A 13 1.048 0.837 -4.988 1.00 0.00 H new ATOM 0 HD13 ILE A 13 2.755 1.207 -5.329 1.00 0.00 H new ATOM 196 N GLY A 14 -0.209 6.007 -5.858 1.00 0.00 N ATOM 197 CA GLY A 14 -0.550 6.980 -6.881 1.00 0.00 C ATOM 198 C GLY A 14 -0.496 8.393 -6.314 1.00 0.00 C ATOM 199 O GLY A 14 0.156 9.268 -6.880 1.00 0.00 O ATOM 0 H GLY A 14 -0.914 5.280 -5.742 1.00 0.00 H new ATOM 0 HA2 GLY A 14 0.141 6.892 -7.719 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -1.548 6.775 -7.268 1.00 0.00 H new ATOM 203 N ILE A 15 -1.155 8.601 -5.172 1.00 0.00 N ATOM 204 CA ILE A 15 -1.131 9.864 -4.454 1.00 0.00 C ATOM 205 C ILE A 15 0.311 10.303 -4.203 1.00 0.00 C ATOM 206 O ILE A 15 0.653 11.447 -4.485 1.00 0.00 O ATOM 207 CB ILE A 15 -1.939 9.746 -3.148 1.00 0.00 C ATOM 208 CG1 ILE A 15 -3.448 9.613 -3.422 1.00 0.00 C ATOM 209 CG2 ILE A 15 -1.647 10.940 -2.232 1.00 0.00 C ATOM 210 CD1 ILE A 15 -4.131 10.928 -3.810 1.00 0.00 C ATOM 0 H ILE A 15 -1.725 7.886 -4.720 1.00 0.00 H new ATOM 0 HA ILE A 15 -1.603 10.636 -5.061 1.00 0.00 H new ATOM 0 HB ILE A 15 -1.625 8.834 -2.640 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -3.599 8.888 -4.222 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.934 9.212 -2.533 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -2.225 10.843 -1.313 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -0.584 10.963 -1.992 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.924 11.864 -2.739 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -5.192 10.749 -3.986 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -4.014 11.651 -3.002 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.674 11.321 -4.718 1.00 0.00 H new ATOM 222 N PHE A 16 1.159 9.411 -3.683 1.00 0.00 N ATOM 223 CA PHE A 16 2.565 9.740 -3.476 1.00 0.00 C ATOM 224 C PHE A 16 3.189 10.187 -4.801 1.00 0.00 C ATOM 225 O PHE A 16 3.604 11.335 -4.957 1.00 0.00 O ATOM 226 CB PHE A 16 3.302 8.533 -2.878 1.00 0.00 C ATOM 227 CG PHE A 16 4.700 8.823 -2.372 1.00 0.00 C ATOM 228 CD1 PHE A 16 4.879 9.667 -1.260 1.00 0.00 C ATOM 229 CD2 PHE A 16 5.820 8.212 -2.968 1.00 0.00 C ATOM 230 CE1 PHE A 16 6.162 9.868 -0.724 1.00 0.00 C ATOM 231 CE2 PHE A 16 7.101 8.407 -2.423 1.00 0.00 C ATOM 232 CZ PHE A 16 7.276 9.246 -1.310 1.00 0.00 C ATOM 0 H PHE A 16 0.897 8.466 -3.401 1.00 0.00 H new ATOM 0 HA PHE A 16 2.652 10.564 -2.768 1.00 0.00 H new ATOM 0 HB2 PHE A 16 2.709 8.136 -2.054 1.00 0.00 H new ATOM 0 HB3 PHE A 16 3.361 7.751 -3.635 1.00 0.00 H new ATOM 0 HD1 PHE A 16 4.027 10.162 -0.817 1.00 0.00 H new ATOM 0 HD2 PHE A 16 5.695 7.593 -3.844 1.00 0.00 H new ATOM 0 HE1 PHE A 16 6.292 10.502 0.141 1.00 0.00 H new ATOM 0 HE2 PHE A 16 7.954 7.910 -2.862 1.00 0.00 H new ATOM 0 HZ PHE A 16 8.264 9.412 -0.906 1.00 0.00 H new ATOM 242 N HIS A 17 3.216 9.271 -5.771 1.00 0.00 N ATOM 243 CA HIS A 17 3.869 9.444 -7.056 1.00 0.00 C ATOM 244 C HIS A 17 3.432 10.738 -7.742 1.00 0.00 C ATOM 245 O HIS A 17 4.270 11.405 -8.350 1.00 0.00 O ATOM 246 CB HIS A 17 3.606 8.216 -7.937 1.00 0.00 C ATOM 247 CG HIS A 17 4.483 8.141 -9.166 1.00 0.00 C ATOM 248 ND1 HIS A 17 4.920 9.201 -9.931 1.00 0.00 N ATOM 249 CD2 HIS A 17 5.017 7.000 -9.705 1.00 0.00 C ATOM 250 CE1 HIS A 17 5.698 8.705 -10.908 1.00 0.00 C ATOM 251 NE2 HIS A 17 5.789 7.369 -10.811 1.00 0.00 N ATOM 0 H HIS A 17 2.767 8.360 -5.674 1.00 0.00 H new ATOM 0 HA HIS A 17 4.943 9.530 -6.893 1.00 0.00 H new ATOM 0 HB2 HIS A 17 3.756 7.316 -7.341 1.00 0.00 H new ATOM 0 HB3 HIS A 17 2.561 8.222 -8.249 1.00 0.00 H new ATOM 0 HD1 HIS A 17 4.694 10.184 -9.782 1.00 0.00 H new ATOM 0 HD2 HIS A 17 4.868 5.994 -9.340 1.00 0.00 H new ATOM 0 HE1 HIS A 17 6.184 9.300 -11.667 1.00 0.00 H new ATOM 259 N LYS A 18 2.144 11.087 -7.655 1.00 0.00 N ATOM 260 CA LYS A 18 1.590 12.309 -8.220 1.00 0.00 C ATOM 261 C LYS A 18 2.428 13.535 -7.835 1.00 0.00 C ATOM 262 O LYS A 18 2.615 14.421 -8.663 1.00 0.00 O ATOM 263 CB LYS A 18 0.124 12.441 -7.776 1.00 0.00 C ATOM 264 CG LYS A 18 -0.559 13.729 -8.253 1.00 0.00 C ATOM 265 CD LYS A 18 -2.032 13.713 -7.817 1.00 0.00 C ATOM 266 CE LYS A 18 -2.707 15.073 -8.031 1.00 0.00 C ATOM 267 NZ LYS A 18 -2.718 15.465 -9.452 1.00 0.00 N ATOM 0 H LYS A 18 1.449 10.512 -7.179 1.00 0.00 H new ATOM 0 HA LYS A 18 1.621 12.255 -9.308 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -0.437 11.585 -8.150 1.00 0.00 H new ATOM 0 HB3 LYS A 18 0.080 12.400 -6.688 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -0.053 14.599 -7.834 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -0.490 13.811 -9.338 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -2.569 12.949 -8.379 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -2.096 13.438 -6.764 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -3.730 15.033 -7.658 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -2.185 15.833 -7.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -3.242 16.357 -9.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -1.741 15.594 -9.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -3.179 14.721 -10.014 1.00 0.00 H new ATOM 281 N TYR A 19 2.919 13.592 -6.592 1.00 0.00 N ATOM 282 CA TYR A 19 3.733 14.701 -6.108 1.00 0.00 C ATOM 283 C TYR A 19 5.208 14.299 -6.150 1.00 0.00 C ATOM 284 O TYR A 19 6.010 14.933 -6.841 1.00 0.00 O ATOM 285 CB TYR A 19 3.273 15.116 -4.702 1.00 0.00 C ATOM 286 CG TYR A 19 1.903 15.779 -4.668 1.00 0.00 C ATOM 287 CD1 TYR A 19 0.743 15.007 -4.862 1.00 0.00 C ATOM 288 CD2 TYR A 19 1.781 17.165 -4.447 1.00 0.00 C ATOM 289 CE1 TYR A 19 -0.526 15.611 -4.847 1.00 0.00 C ATOM 290 CE2 TYR A 19 0.513 17.774 -4.467 1.00 0.00 C ATOM 291 CZ TYR A 19 -0.640 16.998 -4.657 1.00 0.00 C ATOM 292 OH TYR A 19 -1.864 17.599 -4.674 1.00 0.00 O ATOM 0 H TYR A 19 2.760 12.865 -5.895 1.00 0.00 H new ATOM 0 HA TYR A 19 3.609 15.572 -6.751 1.00 0.00 H new ATOM 0 HB2 TYR A 19 3.254 14.234 -4.062 1.00 0.00 H new ATOM 0 HB3 TYR A 19 4.007 15.801 -4.278 1.00 0.00 H new ATOM 0 HD1 TYR A 19 0.828 13.943 -5.024 1.00 0.00 H new ATOM 0 HD2 TYR A 19 2.662 17.761 -4.262 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -1.413 15.009 -4.981 1.00 0.00 H new ATOM 0 HE2 TYR A 19 0.427 18.843 -4.336 1.00 0.00 H new ATOM 0 HH TYR A 19 -2.564 16.917 -4.606 1.00 0.00 H new ATOM 302 N SER A 20 5.571 13.238 -5.424 1.00 0.00 N ATOM 303 CA SER A 20 6.943 12.780 -5.282 1.00 0.00 C ATOM 304 C SER A 20 7.612 12.623 -6.640 1.00 0.00 C ATOM 305 O SER A 20 8.727 13.089 -6.848 1.00 0.00 O ATOM 306 CB SER A 20 6.956 11.451 -4.522 1.00 0.00 C ATOM 307 OG SER A 20 6.033 11.521 -3.462 1.00 0.00 O ATOM 0 H SER A 20 4.900 12.666 -4.911 1.00 0.00 H new ATOM 0 HA SER A 20 7.507 13.526 -4.721 1.00 0.00 H new ATOM 0 HB2 SER A 20 6.698 10.631 -5.192 1.00 0.00 H new ATOM 0 HB3 SER A 20 7.955 11.246 -4.138 1.00 0.00 H new ATOM 0 HG SER A 20 5.984 10.651 -3.013 1.00 0.00 H new ATOM 415 N THR A 28 11.118 9.766 -2.613 1.00 0.00 N ATOM 416 CA THR A 28 11.289 10.677 -1.479 1.00 0.00 C ATOM 417 C THR A 28 10.821 12.108 -1.791 1.00 0.00 C ATOM 418 O THR A 28 11.082 12.632 -2.874 1.00 0.00 O ATOM 419 CB THR A 28 12.771 10.717 -1.055 1.00 0.00 C ATOM 420 OG1 THR A 28 13.583 11.091 -2.149 1.00 0.00 O ATOM 421 CG2 THR A 28 13.337 9.406 -0.503 1.00 0.00 C ATOM 0 HA THR A 28 10.667 10.292 -0.671 1.00 0.00 H new ATOM 0 HB THR A 28 12.791 11.445 -0.244 1.00 0.00 H new ATOM 0 HG1 THR A 28 13.784 12.049 -2.095 1.00 0.00 H new ATOM 0 HG21 THR A 28 14.385 9.546 -0.236 1.00 0.00 H new ATOM 0 HG22 THR A 28 12.773 9.110 0.382 1.00 0.00 H new ATOM 0 HG23 THR A 28 13.257 8.627 -1.261 1.00 0.00 H new ATOM 429 N LEU A 29 10.189 12.775 -0.819 1.00 0.00 N ATOM 430 CA LEU A 29 9.765 14.170 -0.948 1.00 0.00 C ATOM 431 C LEU A 29 9.878 14.892 0.397 1.00 0.00 C ATOM 432 O LEU A 29 10.110 14.246 1.414 1.00 0.00 O ATOM 433 CB LEU A 29 8.360 14.269 -1.560 1.00 0.00 C ATOM 434 CG LEU A 29 7.294 13.325 -0.980 1.00 0.00 C ATOM 435 CD1 LEU A 29 7.214 13.328 0.548 1.00 0.00 C ATOM 436 CD2 LEU A 29 5.920 13.733 -1.511 1.00 0.00 C ATOM 0 H LEU A 29 9.957 12.359 0.083 1.00 0.00 H new ATOM 0 HA LEU A 29 10.437 14.678 -1.640 1.00 0.00 H new ATOM 0 HB2 LEU A 29 8.008 15.294 -1.444 1.00 0.00 H new ATOM 0 HB3 LEU A 29 8.439 14.078 -2.630 1.00 0.00 H new ATOM 0 HG LEU A 29 7.587 12.322 -1.291 1.00 0.00 H new ATOM 0 HD11 LEU A 29 6.437 12.636 0.873 1.00 0.00 H new ATOM 0 HD12 LEU A 29 8.173 13.019 0.963 1.00 0.00 H new ATOM 0 HD13 LEU A 29 6.974 14.332 0.898 1.00 0.00 H new ATOM 0 HD21 LEU A 29 5.160 13.067 -1.103 1.00 0.00 H new ATOM 0 HD22 LEU A 29 5.703 14.758 -1.210 1.00 0.00 H new ATOM 0 HD23 LEU A 29 5.916 13.665 -2.599 1.00 0.00 H new ATOM 448 N SER A 30 9.747 16.222 0.397 1.00 0.00 N ATOM 449 CA SER A 30 9.944 17.087 1.557 1.00 0.00 C ATOM 450 C SER A 30 8.650 17.733 2.073 1.00 0.00 C ATOM 451 O SER A 30 7.568 17.573 1.509 1.00 0.00 O ATOM 452 CB SER A 30 10.989 18.162 1.212 1.00 0.00 C ATOM 453 OG SER A 30 12.259 17.584 1.006 1.00 0.00 O ATOM 0 H SER A 30 9.492 16.742 -0.443 1.00 0.00 H new ATOM 0 HA SER A 30 10.300 16.457 2.372 1.00 0.00 H new ATOM 0 HB2 SER A 30 10.680 18.700 0.316 1.00 0.00 H new ATOM 0 HB3 SER A 30 11.044 18.893 2.019 1.00 0.00 H new ATOM 0 HG SER A 30 12.244 17.044 0.188 1.00 0.00 H new ATOM 459 N LYS A 31 8.799 18.481 3.174 1.00 0.00 N ATOM 460 CA LYS A 31 7.741 19.149 3.920 1.00 0.00 C ATOM 461 C LYS A 31 6.683 19.830 3.052 1.00 0.00 C ATOM 462 O LYS A 31 5.490 19.601 3.236 1.00 0.00 O ATOM 463 CB LYS A 31 8.334 20.143 4.935 1.00 0.00 C ATOM 464 CG LYS A 31 9.620 20.869 4.504 1.00 0.00 C ATOM 465 CD LYS A 31 9.991 21.994 5.485 1.00 0.00 C ATOM 466 CE LYS A 31 10.320 21.458 6.885 1.00 0.00 C ATOM 467 NZ LYS A 31 10.755 22.530 7.798 1.00 0.00 N ATOM 0 H LYS A 31 9.718 18.641 3.587 1.00 0.00 H new ATOM 0 HA LYS A 31 7.214 18.354 4.448 1.00 0.00 H new ATOM 0 HB2 LYS A 31 7.577 20.893 5.162 1.00 0.00 H new ATOM 0 HB3 LYS A 31 8.538 19.606 5.861 1.00 0.00 H new ATOM 0 HG2 LYS A 31 10.440 20.153 4.444 1.00 0.00 H new ATOM 0 HG3 LYS A 31 9.486 21.285 3.506 1.00 0.00 H new ATOM 0 HD2 LYS A 31 10.849 22.543 5.097 1.00 0.00 H new ATOM 0 HD3 LYS A 31 9.164 22.701 5.554 1.00 0.00 H new ATOM 0 HE2 LYS A 31 9.442 20.963 7.299 1.00 0.00 H new ATOM 0 HE3 LYS A 31 11.105 20.705 6.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 10.967 22.125 8.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 11.608 22.986 7.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 9.997 23.236 7.891 1.00 0.00 H new ATOM 481 N LYS A 32 7.105 20.699 2.131 1.00 0.00 N ATOM 482 CA LYS A 32 6.192 21.444 1.283 1.00 0.00 C ATOM 483 C LYS A 32 5.261 20.470 0.557 1.00 0.00 C ATOM 484 O LYS A 32 4.040 20.610 0.604 1.00 0.00 O ATOM 485 CB LYS A 32 7.037 22.308 0.340 1.00 0.00 C ATOM 486 CG LYS A 32 6.197 23.147 -0.626 1.00 0.00 C ATOM 487 CD LYS A 32 7.108 23.978 -1.539 1.00 0.00 C ATOM 488 CE LYS A 32 7.760 25.184 -0.846 1.00 0.00 C ATOM 489 NZ LYS A 32 6.758 26.141 -0.340 1.00 0.00 N ATOM 0 H LYS A 32 8.090 20.901 1.958 1.00 0.00 H new ATOM 0 HA LYS A 32 5.544 22.108 1.856 1.00 0.00 H new ATOM 0 HB2 LYS A 32 7.668 22.971 0.933 1.00 0.00 H new ATOM 0 HB3 LYS A 32 7.703 21.663 -0.234 1.00 0.00 H new ATOM 0 HG2 LYS A 32 5.564 22.496 -1.228 1.00 0.00 H new ATOM 0 HG3 LYS A 32 5.534 23.806 -0.065 1.00 0.00 H new ATOM 0 HD2 LYS A 32 7.892 23.333 -1.936 1.00 0.00 H new ATOM 0 HD3 LYS A 32 6.526 24.332 -2.390 1.00 0.00 H new ATOM 0 HE2 LYS A 32 8.378 24.836 -0.019 1.00 0.00 H new ATOM 0 HE3 LYS A 32 8.423 25.690 -1.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 7.226 27.038 -0.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 6.040 26.312 -1.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 6.300 25.749 0.508 1.00 0.00 H new ATOM 503 N GLU A 33 5.848 19.449 -0.069 1.00 0.00 N ATOM 504 CA GLU A 33 5.108 18.412 -0.757 1.00 0.00 C ATOM 505 C GLU A 33 4.148 17.698 0.194 1.00 0.00 C ATOM 506 O GLU A 33 3.010 17.462 -0.188 1.00 0.00 O ATOM 507 CB GLU A 33 6.046 17.406 -1.426 1.00 0.00 C ATOM 508 CG GLU A 33 7.056 18.046 -2.388 1.00 0.00 C ATOM 509 CD GLU A 33 8.395 18.362 -1.729 1.00 0.00 C ATOM 510 OE1 GLU A 33 8.442 19.332 -0.942 1.00 0.00 O ATOM 511 OE2 GLU A 33 9.351 17.594 -1.977 1.00 0.00 O ATOM 0 H GLU A 33 6.860 19.325 -0.108 1.00 0.00 H new ATOM 0 HA GLU A 33 4.521 18.895 -1.538 1.00 0.00 H new ATOM 0 HB2 GLU A 33 6.589 16.861 -0.654 1.00 0.00 H new ATOM 0 HB3 GLU A 33 5.450 16.676 -1.973 1.00 0.00 H new ATOM 0 HG2 GLU A 33 7.222 17.374 -3.230 1.00 0.00 H new ATOM 0 HG3 GLU A 33 6.631 18.965 -2.792 1.00 0.00 H new ATOM 518 N LEU A 34 4.577 17.348 1.413 1.00 0.00 N ATOM 519 CA LEU A 34 3.678 16.725 2.389 1.00 0.00 C ATOM 520 C LEU A 34 2.479 17.625 2.703 1.00 0.00 C ATOM 521 O LEU A 34 1.331 17.175 2.668 1.00 0.00 O ATOM 522 CB LEU A 34 4.400 16.397 3.699 1.00 0.00 C ATOM 523 CG LEU A 34 5.462 15.294 3.617 1.00 0.00 C ATOM 524 CD1 LEU A 34 6.098 15.190 5.006 1.00 0.00 C ATOM 525 CD2 LEU A 34 4.860 13.937 3.230 1.00 0.00 C ATOM 0 H LEU A 34 5.532 17.484 1.744 1.00 0.00 H new ATOM 0 HA LEU A 34 3.328 15.800 1.932 1.00 0.00 H new ATOM 0 HB2 LEU A 34 4.875 17.306 4.068 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.655 16.104 4.439 1.00 0.00 H new ATOM 0 HG LEU A 34 6.190 15.548 2.847 1.00 0.00 H new ATOM 0 HD11 LEU A 34 6.864 14.414 4.998 1.00 0.00 H new ATOM 0 HD12 LEU A 34 6.551 16.145 5.271 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.332 14.936 5.739 1.00 0.00 H new ATOM 0 HD21 LEU A 34 5.651 13.188 3.185 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.122 13.641 3.975 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.380 14.017 2.255 1.00 0.00 H new ATOM 537 N LYS A 35 2.739 18.889 3.045 1.00 0.00 N ATOM 538 CA LYS A 35 1.689 19.838 3.387 1.00 0.00 C ATOM 539 C LYS A 35 0.721 19.990 2.210 1.00 0.00 C ATOM 540 O LYS A 35 -0.492 19.896 2.393 1.00 0.00 O ATOM 541 CB LYS A 35 2.298 21.177 3.830 1.00 0.00 C ATOM 542 CG LYS A 35 2.982 21.024 5.199 1.00 0.00 C ATOM 543 CD LYS A 35 3.594 22.332 5.717 1.00 0.00 C ATOM 544 CE LYS A 35 4.761 22.802 4.843 1.00 0.00 C ATOM 545 NZ LYS A 35 5.497 23.906 5.482 1.00 0.00 N ATOM 0 H LYS A 35 3.681 19.278 3.091 1.00 0.00 H new ATOM 0 HA LYS A 35 1.115 19.460 4.233 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.022 21.518 3.090 1.00 0.00 H new ATOM 0 HB3 LYS A 35 1.519 21.937 3.888 1.00 0.00 H new ATOM 0 HG2 LYS A 35 2.254 20.659 5.923 1.00 0.00 H new ATOM 0 HG3 LYS A 35 3.764 20.268 5.125 1.00 0.00 H new ATOM 0 HD2 LYS A 35 2.827 23.106 5.745 1.00 0.00 H new ATOM 0 HD3 LYS A 35 3.941 22.190 6.740 1.00 0.00 H new ATOM 0 HE2 LYS A 35 5.439 21.969 4.659 1.00 0.00 H new ATOM 0 HE3 LYS A 35 4.384 23.127 3.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 6.281 24.203 4.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 4.854 24.709 5.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 5.876 23.587 6.396 1.00 0.00 H new ATOM 559 N GLU A 36 1.252 20.181 1.000 1.00 0.00 N ATOM 560 CA GLU A 36 0.438 20.213 -0.208 1.00 0.00 C ATOM 561 C GLU A 36 -0.378 18.928 -0.348 1.00 0.00 C ATOM 562 O GLU A 36 -1.592 19.002 -0.491 1.00 0.00 O ATOM 563 CB GLU A 36 1.311 20.468 -1.445 1.00 0.00 C ATOM 564 CG GLU A 36 1.357 21.956 -1.811 1.00 0.00 C ATOM 565 CD GLU A 36 1.879 22.849 -0.686 1.00 0.00 C ATOM 566 OE1 GLU A 36 1.055 23.228 0.175 1.00 0.00 O ATOM 567 OE2 GLU A 36 3.088 23.161 -0.723 1.00 0.00 O ATOM 0 H GLU A 36 2.249 20.316 0.835 1.00 0.00 H new ATOM 0 HA GLU A 36 -0.267 21.040 -0.127 1.00 0.00 H new ATOM 0 HB2 GLU A 36 2.323 20.108 -1.257 1.00 0.00 H new ATOM 0 HB3 GLU A 36 0.922 19.898 -2.289 1.00 0.00 H new ATOM 0 HG2 GLU A 36 1.989 22.086 -2.689 1.00 0.00 H new ATOM 0 HG3 GLU A 36 0.355 22.284 -2.088 1.00 0.00 H new ATOM 574 N LEU A 37 0.275 17.766 -0.309 1.00 0.00 N ATOM 575 CA LEU A 37 -0.369 16.460 -0.382 1.00 0.00 C ATOM 576 C LEU A 37 -1.593 16.420 0.522 1.00 0.00 C ATOM 577 O LEU A 37 -2.710 16.269 0.030 1.00 0.00 O ATOM 578 CB LEU A 37 0.604 15.336 0.016 1.00 0.00 C ATOM 579 CG LEU A 37 1.326 14.711 -1.179 1.00 0.00 C ATOM 580 CD1 LEU A 37 2.554 13.939 -0.697 1.00 0.00 C ATOM 581 CD2 LEU A 37 0.393 13.725 -1.887 1.00 0.00 C ATOM 0 H LEU A 37 1.290 17.709 -0.224 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.678 16.301 -1.415 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.343 15.734 0.711 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.054 14.559 0.546 1.00 0.00 H new ATOM 0 HG LEU A 37 1.625 15.507 -1.861 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.064 13.496 -1.552 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.232 14.619 -0.182 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.242 13.150 -0.012 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.910 13.282 -2.738 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.099 12.939 -1.191 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.495 14.251 -2.237 1.00 0.00 H new ATOM 593 N ILE A 38 -1.396 16.543 1.838 1.00 0.00 N ATOM 594 CA ILE A 38 -2.513 16.410 2.760 1.00 0.00 C ATOM 595 C ILE A 38 -3.573 17.479 2.458 1.00 0.00 C ATOM 596 O ILE A 38 -4.741 17.147 2.278 1.00 0.00 O ATOM 597 CB ILE A 38 -2.030 16.345 4.226 1.00 0.00 C ATOM 598 CG1 ILE A 38 -3.172 15.892 5.143 1.00 0.00 C ATOM 599 CG2 ILE A 38 -1.418 17.661 4.720 1.00 0.00 C ATOM 600 CD1 ILE A 38 -2.710 15.613 6.577 1.00 0.00 C ATOM 0 H ILE A 38 -0.494 16.730 2.275 1.00 0.00 H new ATOM 0 HA ILE A 38 -3.014 15.454 2.608 1.00 0.00 H new ATOM 0 HB ILE A 38 -1.228 15.608 4.261 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -3.945 16.660 5.159 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -3.626 14.991 4.731 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -1.099 17.548 5.756 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -0.558 17.917 4.102 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -2.161 18.455 4.654 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -3.562 15.296 7.179 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -1.958 14.824 6.570 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -2.281 16.520 7.004 1.00 0.00 H new ATOM 612 N GLN A 39 -3.162 18.746 2.337 1.00 0.00 N ATOM 613 CA GLN A 39 -4.065 19.869 2.117 1.00 0.00 C ATOM 614 C GLN A 39 -4.944 19.676 0.872 1.00 0.00 C ATOM 615 O GLN A 39 -6.150 19.904 0.928 1.00 0.00 O ATOM 616 CB GLN A 39 -3.216 21.144 2.026 1.00 0.00 C ATOM 617 CG GLN A 39 -4.026 22.441 1.890 1.00 0.00 C ATOM 618 CD GLN A 39 -3.158 23.605 1.413 1.00 0.00 C ATOM 619 OE1 GLN A 39 -3.623 24.461 0.668 1.00 0.00 O ATOM 620 NE2 GLN A 39 -1.884 23.632 1.793 1.00 0.00 N ATOM 0 H GLN A 39 -2.180 19.018 2.390 1.00 0.00 H new ATOM 0 HA GLN A 39 -4.762 19.945 2.951 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -2.591 21.213 2.916 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -2.545 21.058 1.171 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -4.845 22.286 1.187 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -4.474 22.692 2.851 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -1.521 22.908 2.413 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -1.269 24.377 1.464 1.00 0.00 H new ATOM 629 N LYS A 40 -4.344 19.317 -0.265 1.00 0.00 N ATOM 630 CA LYS A 40 -5.056 19.166 -1.525 1.00 0.00 C ATOM 631 C LYS A 40 -5.855 17.862 -1.504 1.00 0.00 C ATOM 632 O LYS A 40 -7.051 17.851 -1.788 1.00 0.00 O ATOM 633 CB LYS A 40 -4.084 19.140 -2.725 1.00 0.00 C ATOM 634 CG LYS A 40 -3.732 20.490 -3.380 1.00 0.00 C ATOM 635 CD LYS A 40 -2.531 21.239 -2.783 1.00 0.00 C ATOM 636 CE LYS A 40 -2.891 22.141 -1.598 1.00 0.00 C ATOM 637 NZ LYS A 40 -3.704 23.302 -2.001 1.00 0.00 N ATOM 0 H LYS A 40 -3.345 19.123 -0.332 1.00 0.00 H new ATOM 0 HA LYS A 40 -5.722 20.021 -1.640 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -3.156 18.672 -2.397 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -4.512 18.495 -3.492 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -3.537 20.317 -4.438 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -4.606 21.139 -3.319 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -1.785 20.512 -2.461 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -2.069 21.846 -3.562 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -3.437 21.559 -0.855 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -1.976 22.490 -1.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -3.793 23.959 -1.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -3.244 23.788 -2.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -4.649 22.980 -2.291 1.00 0.00 H new ATOM 651 N GLU A 41 -5.173 16.748 -1.228 1.00 0.00 N ATOM 652 CA GLU A 41 -5.744 15.426 -1.417 1.00 0.00 C ATOM 653 C GLU A 41 -6.785 15.075 -0.354 1.00 0.00 C ATOM 654 O GLU A 41 -7.700 14.314 -0.663 1.00 0.00 O ATOM 655 CB GLU A 41 -4.635 14.374 -1.540 1.00 0.00 C ATOM 656 CG GLU A 41 -3.629 14.693 -2.660 1.00 0.00 C ATOM 657 CD GLU A 41 -4.270 14.823 -4.037 1.00 0.00 C ATOM 658 OE1 GLU A 41 -5.090 13.942 -4.375 1.00 0.00 O ATOM 659 OE2 GLU A 41 -3.914 15.798 -4.736 1.00 0.00 O ATOM 0 H GLU A 41 -4.218 16.743 -0.870 1.00 0.00 H new ATOM 0 HA GLU A 41 -6.294 15.433 -2.358 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -4.104 14.301 -0.591 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -5.085 13.399 -1.729 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -3.113 15.622 -2.419 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.873 13.908 -2.693 1.00 0.00 H new ATOM 666 N LEU A 42 -6.670 15.596 0.874 1.00 0.00 N ATOM 667 CA LEU A 42 -7.753 15.516 1.848 1.00 0.00 C ATOM 668 C LEU A 42 -8.556 16.809 1.738 1.00 0.00 C ATOM 669 O LEU A 42 -8.216 17.813 2.362 1.00 0.00 O ATOM 670 CB LEU A 42 -7.242 15.299 3.280 1.00 0.00 C ATOM 671 CG LEU A 42 -6.623 13.917 3.537 1.00 0.00 C ATOM 672 CD1 LEU A 42 -6.200 13.813 5.006 1.00 0.00 C ATOM 673 CD2 LEU A 42 -7.638 12.797 3.296 1.00 0.00 C ATOM 0 H LEU A 42 -5.836 16.076 1.212 1.00 0.00 H new ATOM 0 HA LEU A 42 -8.378 14.650 1.629 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.498 16.063 3.506 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -8.070 15.446 3.973 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.777 13.810 2.858 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -5.761 12.833 5.190 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -5.466 14.587 5.229 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -7.072 13.945 5.646 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -7.168 11.832 3.487 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -8.488 12.925 3.967 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -7.983 12.835 2.263 1.00 0.00 H new ATOM 794 N ASP A 50 -7.880 16.961 15.285 1.00 0.00 N ATOM 795 CA ASP A 50 -6.557 17.318 15.787 1.00 0.00 C ATOM 796 C ASP A 50 -5.491 16.728 14.867 1.00 0.00 C ATOM 797 O ASP A 50 -4.517 17.395 14.534 1.00 0.00 O ATOM 798 CB ASP A 50 -6.378 16.774 17.208 1.00 0.00 C ATOM 799 CG ASP A 50 -4.932 16.846 17.680 1.00 0.00 C ATOM 800 OD1 ASP A 50 -4.517 17.954 18.079 1.00 0.00 O ATOM 801 OD2 ASP A 50 -4.276 15.784 17.626 1.00 0.00 O ATOM 0 HA ASP A 50 -6.456 18.403 15.808 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -7.009 17.340 17.893 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -6.718 15.739 17.243 1.00 0.00 H new ATOM 806 N ALA A 51 -5.689 15.474 14.454 1.00 0.00 N ATOM 807 CA ALA A 51 -4.763 14.709 13.633 1.00 0.00 C ATOM 808 C ALA A 51 -4.087 15.553 12.554 1.00 0.00 C ATOM 809 O ALA A 51 -2.867 15.695 12.540 1.00 0.00 O ATOM 810 CB ALA A 51 -5.526 13.555 12.988 1.00 0.00 C ATOM 0 H ALA A 51 -6.530 14.950 14.694 1.00 0.00 H new ATOM 0 HA ALA A 51 -3.968 14.340 14.280 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -4.846 12.971 12.368 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -5.947 12.918 13.765 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -6.331 13.952 12.369 1.00 0.00 H new ATOM 816 N GLU A 52 -4.886 16.115 11.645 1.00 0.00 N ATOM 817 CA GLU A 52 -4.385 16.874 10.509 1.00 0.00 C ATOM 818 C GLU A 52 -3.590 18.097 10.977 1.00 0.00 C ATOM 819 O GLU A 52 -2.571 18.445 10.382 1.00 0.00 O ATOM 820 CB GLU A 52 -5.577 17.262 9.620 1.00 0.00 C ATOM 821 CG GLU A 52 -5.161 18.049 8.369 1.00 0.00 C ATOM 822 CD GLU A 52 -6.328 18.260 7.407 1.00 0.00 C ATOM 823 OE1 GLU A 52 -7.468 18.383 7.906 1.00 0.00 O ATOM 824 OE2 GLU A 52 -6.058 18.303 6.188 1.00 0.00 O ATOM 0 H GLU A 52 -5.903 16.053 11.681 1.00 0.00 H new ATOM 0 HA GLU A 52 -3.694 16.266 9.925 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -6.105 16.359 9.315 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -6.278 17.860 10.202 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -4.759 19.017 8.668 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -4.361 17.516 7.856 1.00 0.00 H new ATOM 831 N ILE A 53 -4.048 18.739 12.053 1.00 0.00 N ATOM 832 CA ILE A 53 -3.412 19.925 12.596 1.00 0.00 C ATOM 833 C ILE A 53 -2.012 19.490 13.031 1.00 0.00 C ATOM 834 O ILE A 53 -1.003 20.042 12.592 1.00 0.00 O ATOM 835 CB ILE A 53 -4.223 20.501 13.780 1.00 0.00 C ATOM 836 CG1 ILE A 53 -5.697 20.856 13.489 1.00 0.00 C ATOM 837 CG2 ILE A 53 -3.537 21.777 14.293 1.00 0.00 C ATOM 838 CD1 ILE A 53 -6.592 19.727 12.961 1.00 0.00 C ATOM 0 H ILE A 53 -4.876 18.443 12.570 1.00 0.00 H new ATOM 0 HA ILE A 53 -3.360 20.724 11.856 1.00 0.00 H new ATOM 0 HB ILE A 53 -4.242 19.692 14.510 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -6.141 21.240 14.408 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -5.713 21.669 12.763 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -4.106 22.186 15.128 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.527 21.539 14.625 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -3.491 22.513 13.490 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -7.600 20.108 12.798 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -6.189 19.353 12.020 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -6.624 18.917 13.690 1.00 0.00 H new ATOM 850 N VAL A 54 -1.967 18.449 13.864 1.00 0.00 N ATOM 851 CA VAL A 54 -0.734 17.849 14.335 1.00 0.00 C ATOM 852 C VAL A 54 0.148 17.439 13.162 1.00 0.00 C ATOM 853 O VAL A 54 1.351 17.644 13.246 1.00 0.00 O ATOM 854 CB VAL A 54 -1.028 16.698 15.310 1.00 0.00 C ATOM 855 CG1 VAL A 54 0.232 15.895 15.661 1.00 0.00 C ATOM 856 CG2 VAL A 54 -1.598 17.296 16.600 1.00 0.00 C ATOM 0 H VAL A 54 -2.804 17.997 14.232 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.167 18.589 14.899 1.00 0.00 H new ATOM 0 HB VAL A 54 -1.733 16.020 14.829 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -0.028 15.094 16.352 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.656 15.467 14.752 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.965 16.553 16.128 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -1.814 16.496 17.308 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -0.870 17.980 17.037 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -2.516 17.839 16.375 1.00 0.00 H new ATOM 866 N LYS A 55 -0.396 16.895 12.069 1.00 0.00 N ATOM 867 CA LYS A 55 0.440 16.578 10.916 1.00 0.00 C ATOM 868 C LYS A 55 1.112 17.837 10.385 1.00 0.00 C ATOM 869 O LYS A 55 2.329 17.864 10.200 1.00 0.00 O ATOM 870 CB LYS A 55 -0.336 15.899 9.780 1.00 0.00 C ATOM 871 CG LYS A 55 -1.033 14.578 10.113 1.00 0.00 C ATOM 872 CD LYS A 55 -0.378 13.750 11.220 1.00 0.00 C ATOM 873 CE LYS A 55 1.020 13.258 10.827 1.00 0.00 C ATOM 874 NZ LYS A 55 1.811 12.901 12.014 1.00 0.00 N ATOM 0 H LYS A 55 -1.385 16.671 11.962 1.00 0.00 H new ATOM 0 HA LYS A 55 1.190 15.870 11.268 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -1.089 16.599 9.418 1.00 0.00 H new ATOM 0 HB3 LYS A 55 0.355 15.720 8.956 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -2.061 14.793 10.404 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.078 13.972 9.208 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -0.308 14.350 12.127 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -1.010 12.893 11.453 1.00 0.00 H new ATOM 0 HE2 LYS A 55 0.933 12.392 10.171 1.00 0.00 H new ATOM 0 HE3 LYS A 55 1.536 14.034 10.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 2.650 13.513 12.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 1.232 13.029 12.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 2.111 11.908 11.945 1.00 0.00 H new ATOM 888 N LEU A 56 0.315 18.879 10.139 1.00 0.00 N ATOM 889 CA LEU A 56 0.828 20.137 9.619 1.00 0.00 C ATOM 890 C LEU A 56 1.906 20.711 10.546 1.00 0.00 C ATOM 891 O LEU A 56 2.884 21.271 10.057 1.00 0.00 O ATOM 892 CB LEU A 56 -0.318 21.129 9.376 1.00 0.00 C ATOM 893 CG LEU A 56 -1.289 20.692 8.262 1.00 0.00 C ATOM 894 CD1 LEU A 56 -2.528 21.595 8.288 1.00 0.00 C ATOM 895 CD2 LEU A 56 -0.646 20.755 6.871 1.00 0.00 C ATOM 0 H LEU A 56 -0.693 18.870 10.294 1.00 0.00 H new ATOM 0 HA LEU A 56 1.303 19.950 8.656 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -0.877 21.259 10.303 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.103 22.101 9.118 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.563 19.654 8.452 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -3.218 21.289 7.501 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -3.021 21.509 9.256 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -2.227 22.630 8.125 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.370 20.438 6.121 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.331 21.777 6.662 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.221 20.095 6.841 1.00 0.00 H new ATOM 907 N MET A 57 1.750 20.578 11.871 1.00 0.00 N ATOM 908 CA MET A 57 2.790 21.018 12.796 1.00 0.00 C ATOM 909 C MET A 57 4.011 20.086 12.697 1.00 0.00 C ATOM 910 O MET A 57 5.104 20.512 12.328 1.00 0.00 O ATOM 911 CB MET A 57 2.272 21.079 14.243 1.00 0.00 C ATOM 912 CG MET A 57 1.026 21.939 14.511 1.00 0.00 C ATOM 913 SD MET A 57 0.928 23.626 13.849 1.00 0.00 S ATOM 914 CE MET A 57 0.062 23.367 12.280 1.00 0.00 C ATOM 0 H MET A 57 0.925 20.175 12.316 1.00 0.00 H new ATOM 0 HA MET A 57 3.088 22.028 12.513 1.00 0.00 H new ATOM 0 HB2 MET A 57 2.055 20.061 14.567 1.00 0.00 H new ATOM 0 HB3 MET A 57 3.079 21.449 14.875 1.00 0.00 H new ATOM 0 HG2 MET A 57 0.165 21.390 14.129 1.00 0.00 H new ATOM 0 HG3 MET A 57 0.906 22.008 15.592 1.00 0.00 H new ATOM 0 HE1 MET A 57 -0.464 24.280 12.000 1.00 0.00 H new ATOM 0 HE2 MET A 57 0.783 23.111 11.504 1.00 0.00 H new ATOM 0 HE3 MET A 57 -0.656 22.554 12.391 1.00 0.00 H new ATOM 924 N ASP A 58 3.804 18.809 13.040 1.00 0.00 N ATOM 925 CA ASP A 58 4.792 17.733 13.101 1.00 0.00 C ATOM 926 C ASP A 58 5.704 17.747 11.885 1.00 0.00 C ATOM 927 O ASP A 58 6.914 17.599 12.030 1.00 0.00 O ATOM 928 CB ASP A 58 4.087 16.371 13.206 1.00 0.00 C ATOM 929 CG ASP A 58 5.069 15.200 13.180 1.00 0.00 C ATOM 930 OD1 ASP A 58 6.076 15.280 13.915 1.00 0.00 O ATOM 931 OD2 ASP A 58 4.791 14.234 12.433 1.00 0.00 O ATOM 0 H ASP A 58 2.874 18.480 13.300 1.00 0.00 H new ATOM 0 HA ASP A 58 5.405 17.895 13.988 1.00 0.00 H new ATOM 0 HB2 ASP A 58 3.508 16.335 14.129 1.00 0.00 H new ATOM 0 HB3 ASP A 58 3.380 16.267 12.383 1.00 0.00 H new ATOM 936 N ASP A 59 5.122 17.962 10.703 1.00 0.00 N ATOM 937 CA ASP A 59 5.827 18.132 9.443 1.00 0.00 C ATOM 938 C ASP A 59 7.117 18.934 9.629 1.00 0.00 C ATOM 939 O ASP A 59 8.188 18.499 9.217 1.00 0.00 O ATOM 940 CB ASP A 59 4.884 18.872 8.489 1.00 0.00 C ATOM 941 CG ASP A 59 5.561 19.247 7.182 1.00 0.00 C ATOM 942 OD1 ASP A 59 6.124 20.361 7.132 1.00 0.00 O ATOM 943 OD2 ASP A 59 5.478 18.422 6.250 1.00 0.00 O ATOM 0 H ASP A 59 4.109 18.024 10.600 1.00 0.00 H new ATOM 0 HA ASP A 59 6.109 17.158 9.043 1.00 0.00 H new ATOM 0 HB2 ASP A 59 4.018 18.245 8.279 1.00 0.00 H new ATOM 0 HB3 ASP A 59 4.514 19.774 8.976 1.00 0.00 H new ATOM 948 N LEU A 60 7.031 20.094 10.281 1.00 0.00 N ATOM 949 CA LEU A 60 8.172 20.984 10.433 1.00 0.00 C ATOM 950 C LEU A 60 9.320 20.308 11.191 1.00 0.00 C ATOM 951 O LEU A 60 10.486 20.551 10.884 1.00 0.00 O ATOM 952 CB LEU A 60 7.736 22.278 11.135 1.00 0.00 C ATOM 953 CG LEU A 60 6.576 23.012 10.438 1.00 0.00 C ATOM 954 CD1 LEU A 60 6.173 24.227 11.280 1.00 0.00 C ATOM 955 CD2 LEU A 60 6.949 23.476 9.025 1.00 0.00 C ATOM 0 H LEU A 60 6.174 20.437 10.714 1.00 0.00 H new ATOM 0 HA LEU A 60 8.546 21.230 9.439 1.00 0.00 H new ATOM 0 HB2 LEU A 60 7.440 22.042 12.157 1.00 0.00 H new ATOM 0 HB3 LEU A 60 8.592 22.950 11.198 1.00 0.00 H new ATOM 0 HG LEU A 60 5.746 22.312 10.347 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.352 24.752 10.792 1.00 0.00 H new ATOM 0 HD12 LEU A 60 5.855 23.895 12.269 1.00 0.00 H new ATOM 0 HD13 LEU A 60 7.025 24.900 11.379 1.00 0.00 H new ATOM 0 HD21 LEU A 60 6.099 23.988 8.574 1.00 0.00 H new ATOM 0 HD22 LEU A 60 7.797 24.158 9.078 1.00 0.00 H new ATOM 0 HD23 LEU A 60 7.216 22.612 8.417 1.00 0.00 H new ATOM 967 N ASP A 61 8.996 19.465 12.177 1.00 0.00 N ATOM 968 CA ASP A 61 9.980 18.749 12.976 1.00 0.00 C ATOM 969 C ASP A 61 10.472 17.517 12.212 1.00 0.00 C ATOM 970 O ASP A 61 11.671 17.343 12.003 1.00 0.00 O ATOM 971 CB ASP A 61 9.365 18.361 14.325 1.00 0.00 C ATOM 972 CG ASP A 61 10.375 17.605 15.179 1.00 0.00 C ATOM 973 OD1 ASP A 61 11.247 18.287 15.761 1.00 0.00 O ATOM 974 OD2 ASP A 61 10.275 16.360 15.216 1.00 0.00 O ATOM 0 H ASP A 61 8.032 19.263 12.441 1.00 0.00 H new ATOM 0 HA ASP A 61 10.839 19.392 13.167 1.00 0.00 H new ATOM 0 HB2 ASP A 61 9.035 19.257 14.851 1.00 0.00 H new ATOM 0 HB3 ASP A 61 8.482 17.742 14.164 1.00 0.00 H new ATOM 979 N ARG A 62 9.534 16.667 11.790 1.00 0.00 N ATOM 980 CA ARG A 62 9.800 15.468 11.009 1.00 0.00 C ATOM 981 C ARG A 62 10.780 15.785 9.880 1.00 0.00 C ATOM 982 O ARG A 62 11.785 15.102 9.699 1.00 0.00 O ATOM 983 CB ARG A 62 8.468 14.933 10.460 1.00 0.00 C ATOM 984 CG ARG A 62 8.653 13.635 9.661 1.00 0.00 C ATOM 985 CD ARG A 62 7.332 13.131 9.069 1.00 0.00 C ATOM 986 NE ARG A 62 6.355 12.832 10.128 1.00 0.00 N ATOM 987 CZ ARG A 62 5.593 11.735 10.241 1.00 0.00 C ATOM 988 NH1 ARG A 62 5.585 10.778 9.308 1.00 0.00 N ATOM 989 NH2 ARG A 62 4.810 11.624 11.318 1.00 0.00 N ATOM 0 H ARG A 62 8.543 16.802 11.990 1.00 0.00 H new ATOM 0 HA ARG A 62 10.257 14.703 11.636 1.00 0.00 H new ATOM 0 HB2 ARG A 62 7.781 14.754 11.287 1.00 0.00 H new ATOM 0 HB3 ARG A 62 8.009 15.689 9.822 1.00 0.00 H new ATOM 0 HG2 ARG A 62 9.370 13.803 8.857 1.00 0.00 H new ATOM 0 HG3 ARG A 62 9.076 12.868 10.309 1.00 0.00 H new ATOM 0 HD2 ARG A 62 6.922 13.883 8.394 1.00 0.00 H new ATOM 0 HD3 ARG A 62 7.515 12.235 8.475 1.00 0.00 H new ATOM 0 HE ARG A 62 6.246 13.537 10.857 1.00 0.00 H new ATOM 0 HH11 ARG A 62 6.171 10.870 8.478 1.00 0.00 H new ATOM 0 HH12 ARG A 62 4.993 9.956 9.426 1.00 0.00 H new ATOM 0 HH21 ARG A 62 4.805 12.361 12.023 1.00 0.00 H new ATOM 0 HH22 ARG A 62 4.217 10.802 11.435 1.00 0.00 H new ATOM 1068 N GLU A 67 13.844 15.678 3.432 1.00 0.00 N ATOM 1069 CA GLU A 67 13.186 14.585 2.735 1.00 0.00 C ATOM 1070 C GLU A 67 12.641 13.540 3.713 1.00 0.00 C ATOM 1071 O GLU A 67 13.212 13.314 4.777 1.00 0.00 O ATOM 1072 CB GLU A 67 14.195 13.913 1.789 1.00 0.00 C ATOM 1073 CG GLU A 67 14.573 14.779 0.576 1.00 0.00 C ATOM 1074 CD GLU A 67 13.563 14.653 -0.564 1.00 0.00 C ATOM 1075 OE1 GLU A 67 13.694 13.680 -1.339 1.00 0.00 O ATOM 1076 OE2 GLU A 67 12.673 15.525 -0.645 1.00 0.00 O ATOM 0 HA GLU A 67 12.346 14.995 2.174 1.00 0.00 H new ATOM 0 HB2 GLU A 67 15.099 13.671 2.348 1.00 0.00 H new ATOM 0 HB3 GLU A 67 13.777 12.970 1.436 1.00 0.00 H new ATOM 0 HG2 GLU A 67 14.641 15.822 0.884 1.00 0.00 H new ATOM 0 HG3 GLU A 67 15.560 14.487 0.218 1.00 0.00 H new ATOM 1083 N VAL A 68 11.559 12.873 3.307 1.00 0.00 N ATOM 1084 CA VAL A 68 11.012 11.667 3.904 1.00 0.00 C ATOM 1085 C VAL A 68 10.788 10.696 2.742 1.00 0.00 C ATOM 1086 O VAL A 68 10.496 11.139 1.626 1.00 0.00 O ATOM 1087 CB VAL A 68 9.701 11.931 4.667 1.00 0.00 C ATOM 1088 CG1 VAL A 68 9.911 12.801 5.906 1.00 0.00 C ATOM 1089 CG2 VAL A 68 8.570 12.500 3.809 1.00 0.00 C ATOM 0 H VAL A 68 11.013 13.184 2.504 1.00 0.00 H new ATOM 0 HA VAL A 68 11.697 11.262 4.648 1.00 0.00 H new ATOM 0 HB VAL A 68 9.380 10.939 4.984 1.00 0.00 H new ATOM 0 HG11 VAL A 68 8.956 12.957 6.407 1.00 0.00 H new ATOM 0 HG12 VAL A 68 10.601 12.304 6.587 1.00 0.00 H new ATOM 0 HG13 VAL A 68 10.326 13.764 5.608 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.686 12.654 4.428 1.00 0.00 H new ATOM 0 HG22 VAL A 68 8.883 13.452 3.379 1.00 0.00 H new ATOM 0 HG23 VAL A 68 8.334 11.800 3.008 1.00 0.00 H new ATOM 1099 N ASN A 69 10.942 9.391 2.985 1.00 0.00 N ATOM 1100 CA ASN A 69 10.670 8.364 1.983 1.00 0.00 C ATOM 1101 C ASN A 69 9.211 7.926 2.025 1.00 0.00 C ATOM 1102 O ASN A 69 8.498 8.213 2.988 1.00 0.00 O ATOM 1103 CB ASN A 69 11.614 7.157 2.135 1.00 0.00 C ATOM 1104 CG ASN A 69 11.022 6.035 2.990 1.00 0.00 C ATOM 1105 OD1 ASN A 69 10.456 5.077 2.470 1.00 0.00 O ATOM 1106 ND2 ASN A 69 11.113 6.149 4.308 1.00 0.00 N ATOM 0 H ASN A 69 11.258 9.020 3.881 1.00 0.00 H new ATOM 0 HA ASN A 69 10.860 8.807 1.005 1.00 0.00 H new ATOM 0 HB2 ASN A 69 11.854 6.764 1.147 1.00 0.00 H new ATOM 0 HB3 ASN A 69 12.551 7.490 2.582 1.00 0.00 H new ATOM 0 HD21 ASN A 69 10.708 5.433 4.911 1.00 0.00 H new ATOM 0 HD22 ASN A 69 11.588 6.953 4.719 1.00 0.00 H new ATOM 1113 N PHE A 70 8.805 7.176 0.998 1.00 0.00 N ATOM 1114 CA PHE A 70 7.512 6.510 0.917 1.00 0.00 C ATOM 1115 C PHE A 70 6.998 6.039 2.283 1.00 0.00 C ATOM 1116 O PHE A 70 5.966 6.519 2.733 1.00 0.00 O ATOM 1117 CB PHE A 70 7.586 5.358 -0.091 1.00 0.00 C ATOM 1118 CG PHE A 70 6.282 4.607 -0.269 1.00 0.00 C ATOM 1119 CD1 PHE A 70 5.161 5.268 -0.806 1.00 0.00 C ATOM 1120 CD2 PHE A 70 6.178 3.254 0.109 1.00 0.00 C ATOM 1121 CE1 PHE A 70 3.951 4.576 -0.985 1.00 0.00 C ATOM 1122 CE2 PHE A 70 4.971 2.560 -0.082 1.00 0.00 C ATOM 1123 CZ PHE A 70 3.856 3.221 -0.627 1.00 0.00 C ATOM 0 H PHE A 70 9.388 7.013 0.177 1.00 0.00 H new ATOM 0 HA PHE A 70 6.783 7.240 0.567 1.00 0.00 H new ATOM 0 HB2 PHE A 70 7.899 5.754 -1.057 1.00 0.00 H new ATOM 0 HB3 PHE A 70 8.356 4.657 0.231 1.00 0.00 H new ATOM 0 HD1 PHE A 70 5.231 6.310 -1.081 1.00 0.00 H new ATOM 0 HD2 PHE A 70 7.027 2.749 0.546 1.00 0.00 H new ATOM 0 HE1 PHE A 70 3.094 5.086 -1.398 1.00 0.00 H new ATOM 0 HE2 PHE A 70 4.900 1.517 0.190 1.00 0.00 H new ATOM 0 HZ PHE A 70 2.928 2.688 -0.770 1.00 0.00 H new ATOM 1133 N GLN A 71 7.700 5.141 2.984 1.00 0.00 N ATOM 1134 CA GLN A 71 7.167 4.595 4.233 1.00 0.00 C ATOM 1135 C GLN A 71 6.956 5.683 5.293 1.00 0.00 C ATOM 1136 O GLN A 71 6.030 5.592 6.096 1.00 0.00 O ATOM 1137 CB GLN A 71 8.044 3.458 4.777 1.00 0.00 C ATOM 1138 CG GLN A 71 7.312 2.614 5.842 1.00 0.00 C ATOM 1139 CD GLN A 71 6.216 1.747 5.236 1.00 0.00 C ATOM 1140 OE1 GLN A 71 6.504 0.752 4.581 1.00 0.00 O ATOM 1141 NE2 GLN A 71 4.954 2.104 5.458 1.00 0.00 N ATOM 0 H GLN A 71 8.617 4.785 2.715 1.00 0.00 H new ATOM 0 HA GLN A 71 6.189 4.176 3.997 1.00 0.00 H new ATOM 0 HB2 GLN A 71 8.352 2.813 3.954 1.00 0.00 H new ATOM 0 HB3 GLN A 71 8.952 3.877 5.210 1.00 0.00 H new ATOM 0 HG2 GLN A 71 8.032 1.979 6.357 1.00 0.00 H new ATOM 0 HG3 GLN A 71 6.877 3.275 6.591 1.00 0.00 H new ATOM 0 HE21 GLN A 71 4.749 2.938 6.008 1.00 0.00 H new ATOM 0 HE22 GLN A 71 4.191 1.543 5.079 1.00 0.00 H new ATOM 1150 N GLU A 72 7.797 6.718 5.321 1.00 0.00 N ATOM 1151 CA GLU A 72 7.630 7.824 6.254 1.00 0.00 C ATOM 1152 C GLU A 72 6.403 8.658 5.868 1.00 0.00 C ATOM 1153 O GLU A 72 5.633 9.069 6.737 1.00 0.00 O ATOM 1154 CB GLU A 72 8.899 8.672 6.283 1.00 0.00 C ATOM 1155 CG GLU A 72 10.055 7.972 7.003 1.00 0.00 C ATOM 1156 CD GLU A 72 11.371 8.679 6.700 1.00 0.00 C ATOM 1157 OE1 GLU A 72 11.820 8.541 5.538 1.00 0.00 O ATOM 1158 OE2 GLU A 72 11.887 9.353 7.614 1.00 0.00 O ATOM 0 H GLU A 72 8.603 6.810 4.703 1.00 0.00 H new ATOM 0 HA GLU A 72 7.463 7.433 7.258 1.00 0.00 H new ATOM 0 HB2 GLU A 72 9.200 8.906 5.262 1.00 0.00 H new ATOM 0 HB3 GLU A 72 8.688 9.620 6.778 1.00 0.00 H new ATOM 0 HG2 GLU A 72 9.875 7.969 8.078 1.00 0.00 H new ATOM 0 HG3 GLU A 72 10.112 6.930 6.687 1.00 0.00 H new ATOM 1165 N TYR A 73 6.187 8.883 4.569 1.00 0.00 N ATOM 1166 CA TYR A 73 4.943 9.475 4.088 1.00 0.00 C ATOM 1167 C TYR A 73 3.755 8.617 4.551 1.00 0.00 C ATOM 1168 O TYR A 73 2.788 9.125 5.117 1.00 0.00 O ATOM 1169 CB TYR A 73 4.982 9.650 2.561 1.00 0.00 C ATOM 1170 CG TYR A 73 3.665 9.417 1.835 1.00 0.00 C ATOM 1171 CD1 TYR A 73 2.701 10.440 1.751 1.00 0.00 C ATOM 1172 CD2 TYR A 73 3.416 8.178 1.212 1.00 0.00 C ATOM 1173 CE1 TYR A 73 1.527 10.240 1.001 1.00 0.00 C ATOM 1174 CE2 TYR A 73 2.223 7.966 0.503 1.00 0.00 C ATOM 1175 CZ TYR A 73 1.299 9.011 0.358 1.00 0.00 C ATOM 1176 OH TYR A 73 0.206 8.851 -0.440 1.00 0.00 O ATOM 0 H TYR A 73 6.860 8.663 3.834 1.00 0.00 H new ATOM 0 HA TYR A 73 4.820 10.471 4.513 1.00 0.00 H new ATOM 0 HB2 TYR A 73 5.324 10.661 2.338 1.00 0.00 H new ATOM 0 HB3 TYR A 73 5.726 8.965 2.154 1.00 0.00 H new ATOM 0 HD1 TYR A 73 2.862 11.378 2.262 1.00 0.00 H new ATOM 0 HD2 TYR A 73 4.148 7.386 1.280 1.00 0.00 H new ATOM 0 HE1 TYR A 73 0.799 11.033 0.919 1.00 0.00 H new ATOM 0 HE2 TYR A 73 2.017 6.999 0.069 1.00 0.00 H new ATOM 0 HH TYR A 73 0.369 8.123 -1.075 1.00 0.00 H new ATOM 1186 N ILE A 74 3.834 7.300 4.351 1.00 0.00 N ATOM 1187 CA ILE A 74 2.815 6.378 4.828 1.00 0.00 C ATOM 1188 C ILE A 74 2.665 6.503 6.347 1.00 0.00 C ATOM 1189 O ILE A 74 1.556 6.400 6.855 1.00 0.00 O ATOM 1190 CB ILE A 74 3.133 4.930 4.416 1.00 0.00 C ATOM 1191 CG1 ILE A 74 3.199 4.700 2.893 1.00 0.00 C ATOM 1192 CG2 ILE A 74 2.098 3.985 5.013 1.00 0.00 C ATOM 1193 CD1 ILE A 74 1.843 4.789 2.182 1.00 0.00 C ATOM 0 H ILE A 74 4.604 6.850 3.856 1.00 0.00 H new ATOM 0 HA ILE A 74 1.865 6.643 4.363 1.00 0.00 H new ATOM 0 HB ILE A 74 4.131 4.727 4.804 1.00 0.00 H new ATOM 0 HG12 ILE A 74 3.875 5.435 2.455 1.00 0.00 H new ATOM 0 HG13 ILE A 74 3.631 3.717 2.704 1.00 0.00 H new ATOM 0 HG21 ILE A 74 2.328 2.961 4.718 1.00 0.00 H new ATOM 0 HG22 ILE A 74 2.118 4.063 6.100 1.00 0.00 H new ATOM 0 HG23 ILE A 74 1.107 4.254 4.648 1.00 0.00 H new ATOM 0 HD11 ILE A 74 1.980 4.615 1.115 1.00 0.00 H new ATOM 0 HD12 ILE A 74 1.169 4.036 2.589 1.00 0.00 H new ATOM 0 HD13 ILE A 74 1.416 5.780 2.336 1.00 0.00 H new ATOM 1205 N THR A 75 3.753 6.724 7.087 1.00 0.00 N ATOM 1206 CA THR A 75 3.677 6.968 8.522 1.00 0.00 C ATOM 1207 C THR A 75 2.924 8.271 8.805 1.00 0.00 C ATOM 1208 O THR A 75 2.142 8.335 9.748 1.00 0.00 O ATOM 1209 CB THR A 75 5.071 6.919 9.165 1.00 0.00 C ATOM 1210 OG1 THR A 75 5.693 5.691 8.845 1.00 0.00 O ATOM 1211 CG2 THR A 75 4.998 7.021 10.691 1.00 0.00 C ATOM 0 H THR A 75 4.701 6.738 6.710 1.00 0.00 H new ATOM 0 HA THR A 75 3.103 6.168 8.990 1.00 0.00 H new ATOM 0 HB THR A 75 5.637 7.766 8.778 1.00 0.00 H new ATOM 0 HG1 THR A 75 5.894 5.666 7.886 1.00 0.00 H new ATOM 0 HG21 THR A 75 6.005 6.982 11.107 1.00 0.00 H new ATOM 0 HG22 THR A 75 4.526 7.963 10.971 1.00 0.00 H new ATOM 0 HG23 THR A 75 4.411 6.190 11.084 1.00 0.00 H new ATOM 1219 N PHE A 76 3.126 9.309 7.989 1.00 0.00 N ATOM 1220 CA PHE A 76 2.346 10.542 8.074 1.00 0.00 C ATOM 1221 C PHE A 76 0.851 10.201 7.950 1.00 0.00 C ATOM 1222 O PHE A 76 0.057 10.502 8.843 1.00 0.00 O ATOM 1223 CB PHE A 76 2.824 11.538 7.001 1.00 0.00 C ATOM 1224 CG PHE A 76 2.501 13.003 7.231 1.00 0.00 C ATOM 1225 CD1 PHE A 76 3.339 13.772 8.061 1.00 0.00 C ATOM 1226 CD2 PHE A 76 1.563 13.653 6.404 1.00 0.00 C ATOM 1227 CE1 PHE A 76 3.254 15.175 8.054 1.00 0.00 C ATOM 1228 CE2 PHE A 76 1.495 15.057 6.379 1.00 0.00 C ATOM 1229 CZ PHE A 76 2.349 15.819 7.194 1.00 0.00 C ATOM 0 H PHE A 76 3.833 9.317 7.254 1.00 0.00 H new ATOM 0 HA PHE A 76 2.494 11.026 9.040 1.00 0.00 H new ATOM 0 HB2 PHE A 76 3.905 11.440 6.905 1.00 0.00 H new ATOM 0 HB3 PHE A 76 2.391 11.241 6.046 1.00 0.00 H new ATOM 0 HD1 PHE A 76 4.052 13.281 8.707 1.00 0.00 H new ATOM 0 HD2 PHE A 76 0.894 13.071 5.787 1.00 0.00 H new ATOM 0 HE1 PHE A 76 3.884 15.758 8.710 1.00 0.00 H new ATOM 0 HE2 PHE A 76 0.785 15.551 5.732 1.00 0.00 H new ATOM 0 HZ PHE A 76 2.310 16.898 7.159 1.00 0.00 H new ATOM 1239 N LEU A 77 0.472 9.514 6.867 1.00 0.00 N ATOM 1240 CA LEU A 77 -0.915 9.099 6.656 1.00 0.00 C ATOM 1241 C LEU A 77 -1.426 8.197 7.785 1.00 0.00 C ATOM 1242 O LEU A 77 -2.565 8.321 8.221 1.00 0.00 O ATOM 1243 CB LEU A 77 -1.083 8.366 5.321 1.00 0.00 C ATOM 1244 CG LEU A 77 -0.727 9.177 4.066 1.00 0.00 C ATOM 1245 CD1 LEU A 77 -1.190 8.365 2.852 1.00 0.00 C ATOM 1246 CD2 LEU A 77 -1.393 10.558 4.035 1.00 0.00 C ATOM 0 H LEU A 77 1.110 9.234 6.122 1.00 0.00 H new ATOM 0 HA LEU A 77 -1.506 10.015 6.645 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.463 7.469 5.339 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.118 8.036 5.236 1.00 0.00 H new ATOM 0 HG LEU A 77 0.349 9.352 4.061 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.954 8.910 1.938 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.680 7.402 2.842 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.267 8.204 2.911 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.102 11.082 3.124 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.476 10.440 4.056 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.074 11.135 4.903 1.00 0.00 H new ATOM 1258 N GLY A 78 -0.599 7.260 8.239 1.00 0.00 N ATOM 1259 CA GLY A 78 -0.965 6.272 9.236 1.00 0.00 C ATOM 1260 C GLY A 78 -1.181 6.932 10.592 1.00 0.00 C ATOM 1261 O GLY A 78 -2.120 6.590 11.301 1.00 0.00 O ATOM 0 H GLY A 78 0.364 7.169 7.914 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -1.874 5.756 8.928 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -0.182 5.518 9.313 1.00 0.00 H new ATOM 1265 N ALA A 79 -0.340 7.903 10.947 1.00 0.00 N ATOM 1266 CA ALA A 79 -0.516 8.697 12.148 1.00 0.00 C ATOM 1267 C ALA A 79 -1.794 9.532 12.039 1.00 0.00 C ATOM 1268 O ALA A 79 -2.626 9.509 12.943 1.00 0.00 O ATOM 1269 CB ALA A 79 0.725 9.566 12.357 1.00 0.00 C ATOM 0 H ALA A 79 0.484 8.157 10.403 1.00 0.00 H new ATOM 0 HA ALA A 79 -0.628 8.051 13.018 1.00 0.00 H new ATOM 0 HB1 ALA A 79 0.601 10.167 13.258 1.00 0.00 H new ATOM 0 HB2 ALA A 79 1.602 8.928 12.464 1.00 0.00 H new ATOM 0 HB3 ALA A 79 0.857 10.224 11.498 1.00 0.00 H new ATOM 1275 N LEU A 80 -1.963 10.252 10.923 1.00 0.00 N ATOM 1276 CA LEU A 80 -3.170 11.021 10.621 1.00 0.00 C ATOM 1277 C LEU A 80 -4.416 10.160 10.862 1.00 0.00 C ATOM 1278 O LEU A 80 -5.285 10.495 11.674 1.00 0.00 O ATOM 1279 CB LEU A 80 -3.045 11.528 9.172 1.00 0.00 C ATOM 1280 CG LEU A 80 -4.187 12.362 8.567 1.00 0.00 C ATOM 1281 CD1 LEU A 80 -5.220 11.493 7.848 1.00 0.00 C ATOM 1282 CD2 LEU A 80 -4.874 13.286 9.570 1.00 0.00 C ATOM 0 H LEU A 80 -1.252 10.316 10.195 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.277 11.884 11.278 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.135 12.125 9.111 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.899 10.658 8.532 1.00 0.00 H new ATOM 0 HG LEU A 80 -3.701 13.003 7.831 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -6.006 12.127 7.438 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -4.736 10.946 7.039 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -5.655 10.786 8.554 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -5.668 13.841 9.069 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -5.301 12.692 10.379 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -4.145 13.985 9.979 1.00 0.00 H new ATOM 1294 N ALA A 81 -4.451 9.019 10.174 1.00 0.00 N ATOM 1295 CA ALA A 81 -5.473 8.003 10.315 1.00 0.00 C ATOM 1296 C ALA A 81 -5.658 7.638 11.784 1.00 0.00 C ATOM 1297 O ALA A 81 -6.728 7.840 12.341 1.00 0.00 O ATOM 1298 CB ALA A 81 -5.076 6.777 9.490 1.00 0.00 C ATOM 0 H ALA A 81 -3.742 8.776 9.482 1.00 0.00 H new ATOM 0 HA ALA A 81 -6.425 8.385 9.946 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -5.841 6.007 9.591 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -4.981 7.059 8.441 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -4.122 6.390 9.849 1.00 0.00 H new ATOM 1304 N MET A 82 -4.619 7.104 12.423 1.00 0.00 N ATOM 1305 CA MET A 82 -4.699 6.594 13.780 1.00 0.00 C ATOM 1306 C MET A 82 -5.233 7.642 14.756 1.00 0.00 C ATOM 1307 O MET A 82 -5.998 7.300 15.655 1.00 0.00 O ATOM 1308 CB MET A 82 -3.342 6.010 14.191 1.00 0.00 C ATOM 1309 CG MET A 82 -3.410 5.283 15.539 1.00 0.00 C ATOM 1310 SD MET A 82 -2.432 3.763 15.679 1.00 0.00 S ATOM 1311 CE MET A 82 -0.775 4.369 15.295 1.00 0.00 C ATOM 0 H MET A 82 -3.693 7.015 12.005 1.00 0.00 H new ATOM 0 HA MET A 82 -5.428 5.784 13.815 1.00 0.00 H new ATOM 0 HB2 MET A 82 -2.999 5.317 13.423 1.00 0.00 H new ATOM 0 HB3 MET A 82 -2.606 6.812 14.249 1.00 0.00 H new ATOM 0 HG2 MET A 82 -3.084 5.973 16.317 1.00 0.00 H new ATOM 0 HG3 MET A 82 -4.452 5.040 15.745 1.00 0.00 H new ATOM 0 HE1 MET A 82 -0.063 3.547 15.360 1.00 0.00 H new ATOM 0 HE2 MET A 82 -0.763 4.781 14.286 1.00 0.00 H new ATOM 0 HE3 MET A 82 -0.498 5.146 16.007 1.00 0.00 H new ATOM 1321 N ILE A 83 -4.853 8.912 14.587 1.00 0.00 N ATOM 1322 CA ILE A 83 -5.354 9.968 15.452 1.00 0.00 C ATOM 1323 C ILE A 83 -6.846 10.231 15.188 1.00 0.00 C ATOM 1324 O ILE A 83 -7.623 10.161 16.142 1.00 0.00 O ATOM 1325 CB ILE A 83 -4.477 11.231 15.388 1.00 0.00 C ATOM 1326 CG1 ILE A 83 -3.037 10.943 15.853 1.00 0.00 C ATOM 1327 CG2 ILE A 83 -5.076 12.324 16.293 1.00 0.00 C ATOM 1328 CD1 ILE A 83 -2.071 12.059 15.433 1.00 0.00 C ATOM 0 H ILE A 83 -4.206 9.226 13.864 1.00 0.00 H new ATOM 0 HA ILE A 83 -5.283 9.629 16.485 1.00 0.00 H new ATOM 0 HB ILE A 83 -4.450 11.563 14.350 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -3.019 10.836 16.938 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -2.702 9.995 15.433 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -4.453 13.217 16.246 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -6.083 12.566 15.954 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -5.116 11.964 17.321 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -1.066 11.819 15.779 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -2.069 12.149 14.347 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -2.391 13.003 15.874 1.00 0.00 H new ATOM 1340 N TYR A 84 -7.268 10.577 13.956 1.00 0.00 N ATOM 1341 CA TYR A 84 -8.680 10.948 13.759 1.00 0.00 C ATOM 1342 C TYR A 84 -9.632 9.750 13.703 1.00 0.00 C ATOM 1343 O TYR A 84 -10.733 9.809 14.246 1.00 0.00 O ATOM 1344 CB TYR A 84 -8.941 12.090 12.757 1.00 0.00 C ATOM 1345 CG TYR A 84 -8.594 11.985 11.280 1.00 0.00 C ATOM 1346 CD1 TYR A 84 -8.938 10.849 10.523 1.00 0.00 C ATOM 1347 CD2 TYR A 84 -8.303 13.186 10.602 1.00 0.00 C ATOM 1348 CE1 TYR A 84 -8.955 10.905 9.117 1.00 0.00 C ATOM 1349 CE2 TYR A 84 -8.299 13.242 9.201 1.00 0.00 C ATOM 1350 CZ TYR A 84 -8.652 12.106 8.454 1.00 0.00 C ATOM 1351 OH TYR A 84 -8.779 12.197 7.100 1.00 0.00 O ATOM 0 H TYR A 84 -6.684 10.607 13.121 1.00 0.00 H new ATOM 0 HA TYR A 84 -8.962 11.442 14.689 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -10.007 12.312 12.810 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -8.413 12.964 13.138 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -9.191 9.927 11.025 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -8.080 14.077 11.170 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -9.202 10.022 8.546 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -8.025 14.157 8.697 1.00 0.00 H new ATOM 0 HH TYR A 84 -9.434 11.538 6.788 1.00 0.00 H new ATOM 1361 N ASN A 85 -9.207 8.620 13.137 1.00 0.00 N ATOM 1362 CA ASN A 85 -9.921 7.348 13.236 1.00 0.00 C ATOM 1363 C ASN A 85 -9.560 6.753 14.604 1.00 0.00 C ATOM 1364 O ASN A 85 -9.022 5.650 14.704 1.00 0.00 O ATOM 1365 CB ASN A 85 -9.538 6.406 12.081 1.00 0.00 C ATOM 1366 CG ASN A 85 -9.752 7.010 10.694 1.00 0.00 C ATOM 1367 OD1 ASN A 85 -8.826 7.541 10.091 1.00 0.00 O ATOM 1368 ND2 ASN A 85 -10.955 6.909 10.138 1.00 0.00 N ATOM 0 H ASN A 85 -8.347 8.562 12.591 1.00 0.00 H new ATOM 0 HA ASN A 85 -10.998 7.492 13.155 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -8.490 6.125 12.187 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -10.124 5.490 12.162 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -11.116 7.275 9.200 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -11.718 6.465 10.650 1.00 0.00 H new ATOM 1375 N GLU A 86 -9.872 7.517 15.658 1.00 0.00 N ATOM 1376 CA GLU A 86 -9.433 7.326 17.034 1.00 0.00 C ATOM 1377 C GLU A 86 -9.580 5.885 17.527 1.00 0.00 C ATOM 1378 O GLU A 86 -8.740 5.407 18.286 1.00 0.00 O ATOM 1379 CB GLU A 86 -10.175 8.332 17.926 1.00 0.00 C ATOM 1380 CG GLU A 86 -9.538 8.451 19.314 1.00 0.00 C ATOM 1381 CD GLU A 86 -10.212 9.540 20.143 1.00 0.00 C ATOM 1382 OE1 GLU A 86 -11.372 9.306 20.547 1.00 0.00 O ATOM 1383 OE2 GLU A 86 -9.557 10.583 20.354 1.00 0.00 O ATOM 0 H GLU A 86 -10.475 8.334 15.560 1.00 0.00 H new ATOM 0 HA GLU A 86 -8.361 7.515 17.084 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -10.178 9.310 17.444 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -11.216 8.025 18.030 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -9.614 7.496 19.834 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -8.476 8.674 19.211 1.00 0.00 H new ATOM 1390 N ALA A 87 -10.633 5.192 17.080 1.00 0.00 N ATOM 1391 CA ALA A 87 -10.878 3.781 17.359 1.00 0.00 C ATOM 1392 C ALA A 87 -9.615 2.919 17.237 1.00 0.00 C ATOM 1393 O ALA A 87 -9.437 1.984 18.014 1.00 0.00 O ATOM 1394 CB ALA A 87 -11.967 3.262 16.416 1.00 0.00 C ATOM 0 H ALA A 87 -11.357 5.614 16.498 1.00 0.00 H new ATOM 0 HA ALA A 87 -11.205 3.704 18.396 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -12.154 2.208 16.621 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -12.884 3.830 16.572 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -11.640 3.378 15.383 1.00 0.00 H new ATOM 1400 N LEU A 88 -8.741 3.226 16.270 1.00 0.00 N ATOM 1401 CA LEU A 88 -7.487 2.505 16.085 1.00 0.00 C ATOM 1402 C LEU A 88 -6.634 2.478 17.354 1.00 0.00 C ATOM 1403 O LEU A 88 -5.959 1.483 17.598 1.00 0.00 O ATOM 1404 CB LEU A 88 -6.686 3.117 14.929 1.00 0.00 C ATOM 1405 CG LEU A 88 -7.237 2.711 13.555 1.00 0.00 C ATOM 1406 CD1 LEU A 88 -6.685 3.661 12.493 1.00 0.00 C ATOM 1407 CD2 LEU A 88 -6.805 1.290 13.176 1.00 0.00 C ATOM 0 H LEU A 88 -8.888 3.980 15.599 1.00 0.00 H new ATOM 0 HA LEU A 88 -7.746 1.474 15.846 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -6.700 4.203 15.016 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.645 2.804 15.007 1.00 0.00 H new ATOM 0 HG LEU A 88 -8.325 2.755 13.606 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -7.073 3.378 11.515 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -6.991 4.681 12.723 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -5.597 3.602 12.483 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -7.212 1.035 12.198 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -5.717 1.238 13.141 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -7.178 0.586 13.920 1.00 0.00 H new ATOM 1469 N ALA B 2 -15.095 12.659 1.860 1.00 0.00 N ATOM 1470 CA ALA B 2 -14.222 11.493 1.866 1.00 0.00 C ATOM 1471 C ALA B 2 -13.416 11.429 0.564 1.00 0.00 C ATOM 1472 O ALA B 2 -13.714 10.633 -0.324 1.00 0.00 O ATOM 1473 CB ALA B 2 -15.048 10.223 2.093 1.00 0.00 C ATOM 0 HA ALA B 2 -13.509 11.575 2.687 1.00 0.00 H new ATOM 0 HB1 ALA B 2 -14.388 9.355 2.096 1.00 0.00 H new ATOM 0 HB2 ALA B 2 -15.563 10.290 3.051 1.00 0.00 H new ATOM 0 HB3 ALA B 2 -15.781 10.118 1.293 1.00 0.00 H new ATOM 1479 N SER B 3 -12.402 12.288 0.456 1.00 0.00 N ATOM 1480 CA SER B 3 -11.507 12.400 -0.685 1.00 0.00 C ATOM 1481 C SER B 3 -10.824 11.061 -1.007 1.00 0.00 C ATOM 1482 O SER B 3 -10.802 10.180 -0.149 1.00 0.00 O ATOM 1483 CB SER B 3 -10.449 13.448 -0.331 1.00 0.00 C ATOM 1484 OG SER B 3 -10.953 14.371 0.614 1.00 0.00 O ATOM 0 H SER B 3 -12.176 12.952 1.197 1.00 0.00 H new ATOM 0 HA SER B 3 -12.077 12.689 -1.568 1.00 0.00 H new ATOM 0 HB2 SER B 3 -9.563 12.956 0.071 1.00 0.00 H new ATOM 0 HB3 SER B 3 -10.138 13.976 -1.232 1.00 0.00 H new ATOM 0 HG SER B 3 -10.413 15.188 0.593 1.00 0.00 H new ATOM 1490 N PRO B 4 -10.201 10.909 -2.190 1.00 0.00 N ATOM 1491 CA PRO B 4 -9.487 9.698 -2.574 1.00 0.00 C ATOM 1492 C PRO B 4 -8.565 9.171 -1.472 1.00 0.00 C ATOM 1493 O PRO B 4 -8.649 7.999 -1.108 1.00 0.00 O ATOM 1494 CB PRO B 4 -8.723 10.053 -3.854 1.00 0.00 C ATOM 1495 CG PRO B 4 -9.613 11.124 -4.482 1.00 0.00 C ATOM 1496 CD PRO B 4 -10.137 11.889 -3.266 1.00 0.00 C ATOM 0 HA PRO B 4 -10.185 8.878 -2.743 1.00 0.00 H new ATOM 0 HB2 PRO B 4 -7.723 10.431 -3.639 1.00 0.00 H new ATOM 0 HB3 PRO B 4 -8.603 9.189 -4.508 1.00 0.00 H new ATOM 0 HG2 PRO B 4 -9.052 11.772 -5.156 1.00 0.00 H new ATOM 0 HG3 PRO B 4 -10.424 10.685 -5.064 1.00 0.00 H new ATOM 0 HD2 PRO B 4 -9.475 12.715 -3.006 1.00 0.00 H new ATOM 0 HD3 PRO B 4 -11.119 12.318 -3.465 1.00 0.00 H new ATOM 1504 N LEU B 5 -7.709 10.036 -0.911 1.00 0.00 N ATOM 1505 CA LEU B 5 -6.867 9.653 0.216 1.00 0.00 C ATOM 1506 C LEU B 5 -7.707 9.124 1.375 1.00 0.00 C ATOM 1507 O LEU B 5 -7.424 8.049 1.893 1.00 0.00 O ATOM 1508 CB LEU B 5 -6.013 10.830 0.719 1.00 0.00 C ATOM 1509 CG LEU B 5 -4.550 10.841 0.263 1.00 0.00 C ATOM 1510 CD1 LEU B 5 -3.835 11.958 1.039 1.00 0.00 C ATOM 1511 CD2 LEU B 5 -3.819 9.523 0.563 1.00 0.00 C ATOM 0 H LEU B 5 -7.586 11.000 -1.222 1.00 0.00 H new ATOM 0 HA LEU B 5 -6.205 8.866 -0.146 1.00 0.00 H new ATOM 0 HB2 LEU B 5 -6.482 11.759 0.393 1.00 0.00 H new ATOM 0 HB3 LEU B 5 -6.033 10.828 1.809 1.00 0.00 H new ATOM 0 HG LEU B 5 -4.535 10.990 -0.817 1.00 0.00 H new ATOM 0 HD11 LEU B 5 -2.788 11.996 0.740 1.00 0.00 H new ATOM 0 HD12 LEU B 5 -4.310 12.914 0.820 1.00 0.00 H new ATOM 0 HD13 LEU B 5 -3.900 11.757 2.108 1.00 0.00 H new ATOM 0 HD21 LEU B 5 -2.788 9.592 0.217 1.00 0.00 H new ATOM 0 HD22 LEU B 5 -3.830 9.337 1.637 1.00 0.00 H new ATOM 0 HD23 LEU B 5 -4.320 8.704 0.048 1.00 0.00 H new ATOM 1523 N ASP B 6 -8.715 9.884 1.807 1.00 0.00 N ATOM 1524 CA ASP B 6 -9.514 9.523 2.970 1.00 0.00 C ATOM 1525 C ASP B 6 -10.171 8.159 2.754 1.00 0.00 C ATOM 1526 O ASP B 6 -10.172 7.317 3.644 1.00 0.00 O ATOM 1527 CB ASP B 6 -10.574 10.589 3.253 1.00 0.00 C ATOM 1528 CG ASP B 6 -11.198 10.373 4.627 1.00 0.00 C ATOM 1529 OD1 ASP B 6 -10.483 10.632 5.623 1.00 0.00 O ATOM 1530 OD2 ASP B 6 -12.375 9.955 4.656 1.00 0.00 O ATOM 0 H ASP B 6 -8.995 10.758 1.363 1.00 0.00 H new ATOM 0 HA ASP B 6 -8.855 9.462 3.836 1.00 0.00 H new ATOM 0 HB2 ASP B 6 -10.123 11.580 3.204 1.00 0.00 H new ATOM 0 HB3 ASP B 6 -11.348 10.553 2.486 1.00 0.00 H new ATOM 1535 N GLN B 7 -10.712 7.945 1.553 1.00 0.00 N ATOM 1536 CA GLN B 7 -11.332 6.695 1.149 1.00 0.00 C ATOM 1537 C GLN B 7 -10.308 5.556 1.178 1.00 0.00 C ATOM 1538 O GLN B 7 -10.570 4.498 1.740 1.00 0.00 O ATOM 1539 CB GLN B 7 -11.949 6.880 -0.247 1.00 0.00 C ATOM 1540 CG GLN B 7 -12.764 5.664 -0.711 1.00 0.00 C ATOM 1541 CD GLN B 7 -13.933 5.347 0.218 1.00 0.00 C ATOM 1542 OE1 GLN B 7 -14.057 4.233 0.714 1.00 0.00 O ATOM 1543 NE2 GLN B 7 -14.800 6.324 0.467 1.00 0.00 N ATOM 0 H GLN B 7 -10.728 8.656 0.822 1.00 0.00 H new ATOM 0 HA GLN B 7 -12.124 6.424 1.847 1.00 0.00 H new ATOM 0 HB2 GLN B 7 -12.592 7.760 -0.240 1.00 0.00 H new ATOM 0 HB3 GLN B 7 -11.153 7.073 -0.967 1.00 0.00 H new ATOM 0 HG2 GLN B 7 -13.144 5.849 -1.716 1.00 0.00 H new ATOM 0 HG3 GLN B 7 -12.109 4.795 -0.773 1.00 0.00 H new ATOM 0 HE21 GLN B 7 -14.671 7.241 0.040 1.00 0.00 H new ATOM 0 HE22 GLN B 7 -15.594 6.156 1.085 1.00 0.00 H new ATOM 1552 N ALA B 8 -9.142 5.760 0.562 1.00 0.00 N ATOM 1553 CA ALA B 8 -8.098 4.747 0.482 1.00 0.00 C ATOM 1554 C ALA B 8 -7.575 4.376 1.878 1.00 0.00 C ATOM 1555 O ALA B 8 -7.416 3.201 2.208 1.00 0.00 O ATOM 1556 CB ALA B 8 -6.985 5.261 -0.424 1.00 0.00 C ATOM 0 H ALA B 8 -8.898 6.638 0.104 1.00 0.00 H new ATOM 0 HA ALA B 8 -8.508 3.832 0.055 1.00 0.00 H new ATOM 0 HB1 ALA B 8 -6.196 4.512 -0.493 1.00 0.00 H new ATOM 0 HB2 ALA B 8 -7.387 5.457 -1.418 1.00 0.00 H new ATOM 0 HB3 ALA B 8 -6.575 6.182 -0.010 1.00 0.00 H new ATOM 1562 N ILE B 9 -7.340 5.386 2.717 1.00 0.00 N ATOM 1563 CA ILE B 9 -7.049 5.200 4.131 1.00 0.00 C ATOM 1564 C ILE B 9 -8.176 4.365 4.743 1.00 0.00 C ATOM 1565 O ILE B 9 -7.913 3.321 5.335 1.00 0.00 O ATOM 1566 CB ILE B 9 -6.860 6.571 4.814 1.00 0.00 C ATOM 1567 CG1 ILE B 9 -5.525 7.189 4.357 1.00 0.00 C ATOM 1568 CG2 ILE B 9 -6.898 6.443 6.341 1.00 0.00 C ATOM 1569 CD1 ILE B 9 -5.400 8.673 4.718 1.00 0.00 C ATOM 0 H ILE B 9 -7.347 6.364 2.427 1.00 0.00 H new ATOM 0 HA ILE B 9 -6.114 4.660 4.279 1.00 0.00 H new ATOM 0 HB ILE B 9 -7.682 7.223 4.520 1.00 0.00 H new ATOM 0 HG12 ILE B 9 -4.701 6.639 4.812 1.00 0.00 H new ATOM 0 HG13 ILE B 9 -5.428 7.073 3.278 1.00 0.00 H new ATOM 0 HG21 ILE B 9 -6.762 7.426 6.792 1.00 0.00 H new ATOM 0 HG22 ILE B 9 -7.860 6.033 6.648 1.00 0.00 H new ATOM 0 HG23 ILE B 9 -6.099 5.779 6.670 1.00 0.00 H new ATOM 0 HD11 ILE B 9 -4.439 9.052 4.371 1.00 0.00 H new ATOM 0 HD12 ILE B 9 -6.205 9.232 4.241 1.00 0.00 H new ATOM 0 HD13 ILE B 9 -5.467 8.791 5.799 1.00 0.00 H new ATOM 1581 N GLY B 10 -9.425 4.798 4.558 1.00 0.00 N ATOM 1582 CA GLY B 10 -10.624 4.081 4.963 1.00 0.00 C ATOM 1583 C GLY B 10 -10.554 2.599 4.596 1.00 0.00 C ATOM 1584 O GLY B 10 -10.812 1.747 5.440 1.00 0.00 O ATOM 0 H GLY B 10 -9.631 5.689 4.106 1.00 0.00 H new ATOM 0 HA2 GLY B 10 -10.761 4.182 6.040 1.00 0.00 H new ATOM 0 HA3 GLY B 10 -11.495 4.532 4.487 1.00 0.00 H new ATOM 1588 N LEU B 11 -10.181 2.285 3.354 1.00 0.00 N ATOM 1589 CA LEU B 11 -9.955 0.918 2.909 1.00 0.00 C ATOM 1590 C LEU B 11 -8.906 0.225 3.784 1.00 0.00 C ATOM 1591 O LEU B 11 -9.211 -0.806 4.378 1.00 0.00 O ATOM 1592 CB LEU B 11 -9.588 0.890 1.414 1.00 0.00 C ATOM 1593 CG LEU B 11 -10.832 0.760 0.520 1.00 0.00 C ATOM 1594 CD1 LEU B 11 -10.601 1.400 -0.853 1.00 0.00 C ATOM 1595 CD2 LEU B 11 -11.166 -0.722 0.320 1.00 0.00 C ATOM 0 H LEU B 11 -10.027 2.982 2.626 1.00 0.00 H new ATOM 0 HA LEU B 11 -10.880 0.353 3.022 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -9.049 1.801 1.156 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -8.914 0.055 1.221 1.00 0.00 H new ATOM 0 HG LEU B 11 -11.655 1.276 1.014 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -11.499 1.291 -1.461 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -10.374 2.459 -0.727 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -9.765 0.906 -1.349 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -12.048 -0.814 -0.314 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -10.323 -1.224 -0.156 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -11.365 -1.184 1.287 1.00 0.00 H new ATOM 1607 N LEU B 12 -7.683 0.757 3.892 1.00 0.00 N ATOM 1608 CA LEU B 12 -6.632 0.111 4.690 1.00 0.00 C ATOM 1609 C LEU B 12 -7.076 -0.109 6.146 1.00 0.00 C ATOM 1610 O LEU B 12 -6.830 -1.173 6.723 1.00 0.00 O ATOM 1611 CB LEU B 12 -5.309 0.896 4.611 1.00 0.00 C ATOM 1612 CG LEU B 12 -4.409 0.432 3.449 1.00 0.00 C ATOM 1613 CD1 LEU B 12 -5.077 0.623 2.089 1.00 0.00 C ATOM 1614 CD2 LEU B 12 -3.094 1.217 3.449 1.00 0.00 C ATOM 0 H LEU B 12 -7.397 1.626 3.441 1.00 0.00 H new ATOM 0 HA LEU B 12 -6.455 -0.875 4.259 1.00 0.00 H new ATOM 0 HB2 LEU B 12 -5.528 1.957 4.494 1.00 0.00 H new ATOM 0 HB3 LEU B 12 -4.768 0.784 5.551 1.00 0.00 H new ATOM 0 HG LEU B 12 -4.225 -0.631 3.604 1.00 0.00 H new ATOM 0 HD11 LEU B 12 -4.404 0.282 1.302 1.00 0.00 H new ATOM 0 HD12 LEU B 12 -6.000 0.045 2.053 1.00 0.00 H new ATOM 0 HD13 LEU B 12 -5.304 1.679 1.940 1.00 0.00 H new ATOM 0 HD21 LEU B 12 -2.468 0.879 2.623 1.00 0.00 H new ATOM 0 HD22 LEU B 12 -3.305 2.280 3.333 1.00 0.00 H new ATOM 0 HD23 LEU B 12 -2.572 1.052 4.391 1.00 0.00 H new ATOM 1626 N ILE B 13 -7.730 0.891 6.742 1.00 0.00 N ATOM 1627 CA ILE B 13 -8.312 0.791 8.080 1.00 0.00 C ATOM 1628 C ILE B 13 -9.348 -0.335 8.139 1.00 0.00 C ATOM 1629 O ILE B 13 -9.261 -1.213 8.993 1.00 0.00 O ATOM 1630 CB ILE B 13 -8.929 2.138 8.500 1.00 0.00 C ATOM 1631 CG1 ILE B 13 -7.825 3.198 8.625 1.00 0.00 C ATOM 1632 CG2 ILE B 13 -9.697 2.004 9.828 1.00 0.00 C ATOM 1633 CD1 ILE B 13 -8.405 4.562 9.000 1.00 0.00 C ATOM 0 H ILE B 13 -7.871 1.801 6.304 1.00 0.00 H new ATOM 0 HA ILE B 13 -7.518 0.548 8.786 1.00 0.00 H new ATOM 0 HB ILE B 13 -9.639 2.448 7.733 1.00 0.00 H new ATOM 0 HG12 ILE B 13 -7.103 2.887 9.380 1.00 0.00 H new ATOM 0 HG13 ILE B 13 -7.285 3.277 7.681 1.00 0.00 H new ATOM 0 HG21 ILE B 13 -10.122 2.970 10.101 1.00 0.00 H new ATOM 0 HG22 ILE B 13 -10.498 1.274 9.713 1.00 0.00 H new ATOM 0 HG23 ILE B 13 -9.015 1.673 10.611 1.00 0.00 H new ATOM 0 HD11 ILE B 13 -7.598 5.291 9.081 1.00 0.00 H new ATOM 0 HD12 ILE B 13 -9.108 4.882 8.231 1.00 0.00 H new ATOM 0 HD13 ILE B 13 -8.923 4.487 9.956 1.00 0.00 H new ATOM 1645 N GLY B 14 -10.347 -0.299 7.257 1.00 0.00 N ATOM 1646 CA GLY B 14 -11.427 -1.272 7.221 1.00 0.00 C ATOM 1647 C GLY B 14 -10.862 -2.680 7.090 1.00 0.00 C ATOM 1648 O GLY B 14 -11.215 -3.571 7.858 1.00 0.00 O ATOM 0 H GLY B 14 -10.425 0.420 6.538 1.00 0.00 H new ATOM 0 HA2 GLY B 14 -12.026 -1.195 8.129 1.00 0.00 H new ATOM 0 HA3 GLY B 14 -12.090 -1.059 6.383 1.00 0.00 H new ATOM 1652 N ILE B 15 -9.949 -2.860 6.136 1.00 0.00 N ATOM 1653 CA ILE B 15 -9.201 -4.088 5.940 1.00 0.00 C ATOM 1654 C ILE B 15 -8.563 -4.530 7.256 1.00 0.00 C ATOM 1655 O ILE B 15 -8.694 -5.689 7.635 1.00 0.00 O ATOM 1656 CB ILE B 15 -8.153 -3.876 4.834 1.00 0.00 C ATOM 1657 CG1 ILE B 15 -8.805 -3.754 3.443 1.00 0.00 C ATOM 1658 CG2 ILE B 15 -7.097 -4.983 4.866 1.00 0.00 C ATOM 1659 CD1 ILE B 15 -9.246 -5.087 2.835 1.00 0.00 C ATOM 0 H ILE B 15 -9.707 -2.132 5.463 1.00 0.00 H new ATOM 0 HA ILE B 15 -9.871 -4.886 5.621 1.00 0.00 H new ATOM 0 HB ILE B 15 -7.651 -2.929 5.031 1.00 0.00 H new ATOM 0 HG12 ILE B 15 -9.672 -3.098 3.517 1.00 0.00 H new ATOM 0 HG13 ILE B 15 -8.099 -3.274 2.765 1.00 0.00 H new ATOM 0 HG21 ILE B 15 -6.367 -4.812 4.075 1.00 0.00 H new ATOM 0 HG22 ILE B 15 -6.593 -4.977 5.833 1.00 0.00 H new ATOM 0 HG23 ILE B 15 -7.578 -5.949 4.713 1.00 0.00 H new ATOM 0 HD11 ILE B 15 -9.694 -4.910 1.857 1.00 0.00 H new ATOM 0 HD12 ILE B 15 -8.381 -5.741 2.725 1.00 0.00 H new ATOM 0 HD13 ILE B 15 -9.978 -5.561 3.489 1.00 0.00 H new ATOM 1671 N PHE B 16 -7.865 -3.628 7.952 1.00 0.00 N ATOM 1672 CA PHE B 16 -7.273 -3.961 9.242 1.00 0.00 C ATOM 1673 C PHE B 16 -8.359 -4.473 10.194 1.00 0.00 C ATOM 1674 O PHE B 16 -8.335 -5.626 10.624 1.00 0.00 O ATOM 1675 CB PHE B 16 -6.538 -2.735 9.806 1.00 0.00 C ATOM 1676 CG PHE B 16 -5.648 -3.012 10.998 1.00 0.00 C ATOM 1677 CD1 PHE B 16 -4.528 -3.849 10.851 1.00 0.00 C ATOM 1678 CD2 PHE B 16 -5.882 -2.371 12.229 1.00 0.00 C ATOM 1679 CE1 PHE B 16 -3.630 -4.021 11.916 1.00 0.00 C ATOM 1680 CE2 PHE B 16 -4.978 -2.543 13.292 1.00 0.00 C ATOM 1681 CZ PHE B 16 -3.863 -3.382 13.143 1.00 0.00 C ATOM 0 H PHE B 16 -7.699 -2.670 7.643 1.00 0.00 H new ATOM 0 HA PHE B 16 -6.540 -4.758 9.123 1.00 0.00 H new ATOM 0 HB2 PHE B 16 -5.931 -2.298 9.013 1.00 0.00 H new ATOM 0 HB3 PHE B 16 -7.278 -1.987 10.091 1.00 0.00 H new ATOM 0 HD1 PHE B 16 -4.358 -4.361 9.916 1.00 0.00 H new ATOM 0 HD2 PHE B 16 -6.755 -1.748 12.357 1.00 0.00 H new ATOM 0 HE1 PHE B 16 -2.758 -4.646 11.791 1.00 0.00 H new ATOM 0 HE2 PHE B 16 -5.142 -2.028 14.227 1.00 0.00 H new ATOM 0 HZ PHE B 16 -3.186 -3.535 13.971 1.00 0.00 H new ATOM 1691 N HIS B 17 -9.342 -3.617 10.488 1.00 0.00 N ATOM 1692 CA HIS B 17 -10.416 -3.905 11.425 1.00 0.00 C ATOM 1693 C HIS B 17 -11.143 -5.214 11.110 1.00 0.00 C ATOM 1694 O HIS B 17 -11.501 -5.931 12.042 1.00 0.00 O ATOM 1695 CB HIS B 17 -11.393 -2.728 11.486 1.00 0.00 C ATOM 1696 CG HIS B 17 -10.834 -1.508 12.175 1.00 0.00 C ATOM 1697 ND1 HIS B 17 -9.926 -1.504 13.212 1.00 0.00 N ATOM 1698 CD2 HIS B 17 -11.295 -0.227 12.027 1.00 0.00 C ATOM 1699 CE1 HIS B 17 -9.849 -0.246 13.673 1.00 0.00 C ATOM 1700 NE2 HIS B 17 -10.659 0.571 12.983 1.00 0.00 N ATOM 0 H HIS B 17 -9.409 -2.689 10.070 1.00 0.00 H new ATOM 0 HA HIS B 17 -9.962 -4.040 12.407 1.00 0.00 H new ATOM 0 HB2 HIS B 17 -11.686 -2.458 10.471 1.00 0.00 H new ATOM 0 HB3 HIS B 17 -12.297 -3.045 12.006 1.00 0.00 H new ATOM 0 HD2 HIS B 17 -12.021 0.108 11.301 1.00 0.00 H new ATOM 0 HE1 HIS B 17 -9.218 0.067 14.492 1.00 0.00 H new ATOM 0 HE2 HIS B 17 -10.785 1.573 13.127 1.00 0.00 H new ATOM 1708 N LYS B 18 -11.334 -5.537 9.826 1.00 0.00 N ATOM 1709 CA LYS B 18 -11.932 -6.791 9.383 1.00 0.00 C ATOM 1710 C LYS B 18 -11.314 -7.991 10.108 1.00 0.00 C ATOM 1711 O LYS B 18 -12.028 -8.948 10.404 1.00 0.00 O ATOM 1712 CB LYS B 18 -11.793 -6.920 7.857 1.00 0.00 C ATOM 1713 CG LYS B 18 -12.538 -8.139 7.295 1.00 0.00 C ATOM 1714 CD LYS B 18 -12.345 -8.216 5.774 1.00 0.00 C ATOM 1715 CE LYS B 18 -13.082 -9.411 5.157 1.00 0.00 C ATOM 1716 NZ LYS B 18 -12.613 -10.700 5.699 1.00 0.00 N ATOM 0 H LYS B 18 -11.071 -4.921 9.057 1.00 0.00 H new ATOM 0 HA LYS B 18 -12.992 -6.783 9.636 1.00 0.00 H new ATOM 0 HB2 LYS B 18 -12.176 -6.016 7.384 1.00 0.00 H new ATOM 0 HB3 LYS B 18 -10.737 -6.993 7.597 1.00 0.00 H new ATOM 0 HG2 LYS B 18 -12.167 -9.050 7.764 1.00 0.00 H new ATOM 0 HG3 LYS B 18 -13.600 -8.068 7.532 1.00 0.00 H new ATOM 0 HD2 LYS B 18 -12.704 -7.294 5.317 1.00 0.00 H new ATOM 0 HD3 LYS B 18 -11.281 -8.291 5.548 1.00 0.00 H new ATOM 0 HE2 LYS B 18 -14.152 -9.310 5.341 1.00 0.00 H new ATOM 0 HE3 LYS B 18 -12.943 -9.402 4.076 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 -13.079 -11.480 5.192 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 -11.583 -10.774 5.576 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 -12.846 -10.757 6.711 1.00 0.00 H new ATOM 1730 N TYR B 19 -10.010 -7.940 10.400 1.00 0.00 N ATOM 1731 CA TYR B 19 -9.332 -8.949 11.197 1.00 0.00 C ATOM 1732 C TYR B 19 -9.112 -8.402 12.609 1.00 0.00 C ATOM 1733 O TYR B 19 -9.734 -8.887 13.553 1.00 0.00 O ATOM 1734 CB TYR B 19 -8.043 -9.400 10.494 1.00 0.00 C ATOM 1735 CG TYR B 19 -8.294 -9.995 9.117 1.00 0.00 C ATOM 1736 CD1 TYR B 19 -8.441 -9.136 8.012 1.00 0.00 C ATOM 1737 CD2 TYR B 19 -8.558 -11.370 8.960 1.00 0.00 C ATOM 1738 CE1 TYR B 19 -8.879 -9.633 6.774 1.00 0.00 C ATOM 1739 CE2 TYR B 19 -9.015 -11.865 7.726 1.00 0.00 C ATOM 1740 CZ TYR B 19 -9.201 -10.993 6.642 1.00 0.00 C ATOM 1741 OH TYR B 19 -9.771 -11.456 5.494 1.00 0.00 O ATOM 0 H TYR B 19 -9.397 -7.188 10.084 1.00 0.00 H new ATOM 0 HA TYR B 19 -9.943 -9.846 11.295 1.00 0.00 H new ATOM 0 HB2 TYR B 19 -7.371 -8.547 10.398 1.00 0.00 H new ATOM 0 HB3 TYR B 19 -7.536 -10.138 11.116 1.00 0.00 H new ATOM 0 HD1 TYR B 19 -8.215 -8.085 8.117 1.00 0.00 H new ATOM 0 HD2 TYR B 19 -8.409 -12.045 9.790 1.00 0.00 H new ATOM 0 HE1 TYR B 19 -8.968 -8.971 5.926 1.00 0.00 H new ATOM 0 HE2 TYR B 19 -9.223 -12.919 7.612 1.00 0.00 H new ATOM 0 HH TYR B 19 -9.787 -10.740 4.825 1.00 0.00 H new ATOM 1751 N SER B 20 -8.268 -7.379 12.772 1.00 0.00 N ATOM 1752 CA SER B 20 -7.821 -6.892 14.073 1.00 0.00 C ATOM 1753 C SER B 20 -8.990 -6.579 15.003 1.00 0.00 C ATOM 1754 O SER B 20 -8.952 -6.902 16.186 1.00 0.00 O ATOM 1755 CB SER B 20 -6.947 -5.647 13.882 1.00 0.00 C ATOM 1756 OG SER B 20 -6.305 -5.699 12.628 1.00 0.00 O ATOM 0 H SER B 20 -7.872 -6.860 11.988 1.00 0.00 H new ATOM 0 HA SER B 20 -7.239 -7.684 14.544 1.00 0.00 H new ATOM 0 HB2 SER B 20 -7.560 -4.748 13.950 1.00 0.00 H new ATOM 0 HB3 SER B 20 -6.205 -5.587 14.678 1.00 0.00 H new ATOM 0 HG SER B 20 -5.859 -4.844 12.453 1.00 0.00 H new ATOM 1847 N HIS B 27 -6.505 -2.313 17.399 1.00 0.00 N ATOM 1848 CA HIS B 27 -5.185 -1.708 17.266 1.00 0.00 C ATOM 1849 C HIS B 27 -4.094 -2.672 16.775 1.00 0.00 C ATOM 1850 O HIS B 27 -3.124 -2.222 16.160 1.00 0.00 O ATOM 1851 CB HIS B 27 -4.798 -1.150 18.645 1.00 0.00 C ATOM 1852 CG HIS B 27 -3.664 -0.150 18.691 1.00 0.00 C ATOM 1853 ND1 HIS B 27 -3.180 0.421 19.845 1.00 0.00 N ATOM 1854 CD2 HIS B 27 -3.004 0.434 17.640 1.00 0.00 C ATOM 1855 CE1 HIS B 27 -2.224 1.297 19.498 1.00 0.00 C ATOM 1856 NE2 HIS B 27 -2.074 1.335 18.165 1.00 0.00 N ATOM 0 HA HIS B 27 -5.250 -0.933 16.503 1.00 0.00 H new ATOM 0 HB2 HIS B 27 -5.681 -0.681 19.080 1.00 0.00 H new ATOM 0 HB3 HIS B 27 -4.534 -1.990 19.288 1.00 0.00 H new ATOM 0 HD2 HIS B 27 -3.173 0.233 16.592 1.00 0.00 H new ATOM 0 HE1 HIS B 27 -1.653 1.891 20.197 1.00 0.00 H new ATOM 0 HE2 HIS B 27 -1.413 1.907 17.640 1.00 0.00 H new ATOM 1864 N THR B 28 -4.221 -3.970 17.064 1.00 0.00 N ATOM 1865 CA THR B 28 -3.158 -4.964 16.888 1.00 0.00 C ATOM 1866 C THR B 28 -3.653 -6.310 16.345 1.00 0.00 C ATOM 1867 O THR B 28 -4.752 -6.758 16.670 1.00 0.00 O ATOM 1868 CB THR B 28 -2.446 -5.214 18.230 1.00 0.00 C ATOM 1869 OG1 THR B 28 -3.378 -5.587 19.223 1.00 0.00 O ATOM 1870 CG2 THR B 28 -1.634 -4.031 18.756 1.00 0.00 C ATOM 0 H THR B 28 -5.084 -4.368 17.435 1.00 0.00 H new ATOM 0 HA THR B 28 -2.478 -4.543 16.147 1.00 0.00 H new ATOM 0 HB THR B 28 -1.740 -6.017 18.020 1.00 0.00 H new ATOM 0 HG1 THR B 28 -3.367 -6.561 19.333 1.00 0.00 H new ATOM 0 HG21 THR B 28 -1.170 -4.301 19.704 1.00 0.00 H new ATOM 0 HG22 THR B 28 -0.860 -3.771 18.034 1.00 0.00 H new ATOM 0 HG23 THR B 28 -2.293 -3.175 18.905 1.00 0.00 H new ATOM 1878 N LEU B 29 -2.803 -7.001 15.578 1.00 0.00 N ATOM 1879 CA LEU B 29 -3.054 -8.370 15.137 1.00 0.00 C ATOM 1880 C LEU B 29 -1.731 -9.101 14.922 1.00 0.00 C ATOM 1881 O LEU B 29 -0.679 -8.477 15.040 1.00 0.00 O ATOM 1882 CB LEU B 29 -3.957 -8.397 13.896 1.00 0.00 C ATOM 1883 CG LEU B 29 -3.568 -7.444 12.757 1.00 0.00 C ATOM 1884 CD1 LEU B 29 -2.098 -7.514 12.330 1.00 0.00 C ATOM 1885 CD2 LEU B 29 -4.429 -7.756 11.529 1.00 0.00 C ATOM 0 H LEU B 29 -1.917 -6.620 15.246 1.00 0.00 H new ATOM 0 HA LEU B 29 -3.597 -8.902 15.918 1.00 0.00 H new ATOM 0 HB2 LEU B 29 -3.970 -9.414 13.503 1.00 0.00 H new ATOM 0 HB3 LEU B 29 -4.975 -8.162 14.207 1.00 0.00 H new ATOM 0 HG LEU B 29 -3.734 -6.440 13.147 1.00 0.00 H new ATOM 0 HD11 LEU B 29 -1.920 -6.805 11.521 1.00 0.00 H new ATOM 0 HD12 LEU B 29 -1.460 -7.264 13.178 1.00 0.00 H new ATOM 0 HD13 LEU B 29 -1.866 -8.522 11.987 1.00 0.00 H new ATOM 0 HD21 LEU B 29 -4.159 -7.083 10.715 1.00 0.00 H new ATOM 0 HD22 LEU B 29 -4.260 -8.787 11.219 1.00 0.00 H new ATOM 0 HD23 LEU B 29 -5.481 -7.620 11.778 1.00 0.00 H new ATOM 1897 N SER B 30 -1.773 -10.409 14.645 1.00 0.00 N ATOM 1898 CA SER B 30 -0.610 -11.287 14.629 1.00 0.00 C ATOM 1899 C SER B 30 -0.337 -11.906 13.256 1.00 0.00 C ATOM 1900 O SER B 30 -1.125 -11.776 12.318 1.00 0.00 O ATOM 1901 CB SER B 30 -0.863 -12.385 15.673 1.00 0.00 C ATOM 1902 OG SER B 30 -2.142 -12.951 15.448 1.00 0.00 O ATOM 0 H SER B 30 -2.642 -10.894 14.421 1.00 0.00 H new ATOM 0 HA SER B 30 0.279 -10.701 14.863 1.00 0.00 H new ATOM 0 HB2 SER B 30 -0.094 -13.154 15.604 1.00 0.00 H new ATOM 0 HB3 SER B 30 -0.808 -11.968 16.679 1.00 0.00 H new ATOM 0 HG SER B 30 -2.310 -13.654 16.110 1.00 0.00 H new ATOM 1908 N LYS B 31 0.792 -12.621 13.176 1.00 0.00 N ATOM 1909 CA LYS B 31 1.261 -13.391 12.029 1.00 0.00 C ATOM 1910 C LYS B 31 0.122 -14.039 11.238 1.00 0.00 C ATOM 1911 O LYS B 31 -0.054 -13.752 10.057 1.00 0.00 O ATOM 1912 CB LYS B 31 2.323 -14.427 12.450 1.00 0.00 C ATOM 1913 CG LYS B 31 2.247 -14.921 13.906 1.00 0.00 C ATOM 1914 CD LYS B 31 3.345 -15.965 14.147 1.00 0.00 C ATOM 1915 CE LYS B 31 3.485 -16.327 15.630 1.00 0.00 C ATOM 1916 NZ LYS B 31 2.229 -16.849 16.196 1.00 0.00 N ATOM 0 H LYS B 31 1.439 -12.677 13.962 1.00 0.00 H new ATOM 0 HA LYS B 31 1.733 -12.681 11.350 1.00 0.00 H new ATOM 0 HB2 LYS B 31 2.241 -15.291 11.790 1.00 0.00 H new ATOM 0 HB3 LYS B 31 3.309 -13.993 12.286 1.00 0.00 H new ATOM 0 HG2 LYS B 31 2.369 -14.083 14.593 1.00 0.00 H new ATOM 0 HG3 LYS B 31 1.267 -15.355 14.104 1.00 0.00 H new ATOM 0 HD2 LYS B 31 3.120 -16.865 13.575 1.00 0.00 H new ATOM 0 HD3 LYS B 31 4.296 -15.582 13.777 1.00 0.00 H new ATOM 0 HE2 LYS B 31 4.272 -17.072 15.748 1.00 0.00 H new ATOM 0 HE3 LYS B 31 3.795 -15.445 16.190 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 2.403 -17.206 17.157 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 1.522 -16.087 16.233 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 1.874 -17.623 15.598 1.00 0.00 H new ATOM 1930 N LYS B 32 -0.662 -14.899 11.893 1.00 0.00 N ATOM 1931 CA LYS B 32 -1.824 -15.548 11.324 1.00 0.00 C ATOM 1932 C LYS B 32 -2.695 -14.566 10.537 1.00 0.00 C ATOM 1933 O LYS B 32 -3.069 -14.821 9.392 1.00 0.00 O ATOM 1934 CB LYS B 32 -2.590 -16.158 12.504 1.00 0.00 C ATOM 1935 CG LYS B 32 -3.805 -16.979 12.085 1.00 0.00 C ATOM 1936 CD LYS B 32 -3.401 -18.079 11.098 1.00 0.00 C ATOM 1937 CE LYS B 32 -4.365 -19.245 11.270 1.00 0.00 C ATOM 1938 NZ LYS B 32 -4.142 -20.294 10.261 1.00 0.00 N ATOM 0 H LYS B 32 -0.492 -15.164 12.863 1.00 0.00 H new ATOM 0 HA LYS B 32 -1.530 -16.314 10.606 1.00 0.00 H new ATOM 0 HB2 LYS B 32 -1.913 -16.792 13.076 1.00 0.00 H new ATOM 0 HB3 LYS B 32 -2.915 -15.357 13.168 1.00 0.00 H new ATOM 0 HG2 LYS B 32 -4.269 -17.425 12.964 1.00 0.00 H new ATOM 0 HG3 LYS B 32 -4.550 -16.328 11.627 1.00 0.00 H new ATOM 0 HD2 LYS B 32 -3.435 -17.704 10.075 1.00 0.00 H new ATOM 0 HD3 LYS B 32 -2.377 -18.401 11.285 1.00 0.00 H new ATOM 0 HE2 LYS B 32 -4.248 -19.669 12.267 1.00 0.00 H new ATOM 0 HE3 LYS B 32 -5.390 -18.882 11.197 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 -4.818 -21.070 10.412 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 -4.279 -19.896 9.310 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 -3.172 -20.658 10.347 1.00 0.00 H new ATOM 1952 N GLU B 33 -3.008 -13.431 11.156 1.00 0.00 N ATOM 1953 CA GLU B 33 -3.885 -12.437 10.578 1.00 0.00 C ATOM 1954 C GLU B 33 -3.207 -11.740 9.404 1.00 0.00 C ATOM 1955 O GLU B 33 -3.876 -11.426 8.428 1.00 0.00 O ATOM 1956 CB GLU B 33 -4.315 -11.436 11.652 1.00 0.00 C ATOM 1957 CG GLU B 33 -4.860 -12.128 12.911 1.00 0.00 C ATOM 1958 CD GLU B 33 -5.937 -13.156 12.583 1.00 0.00 C ATOM 1959 OE1 GLU B 33 -6.891 -12.766 11.876 1.00 0.00 O ATOM 1960 OE2 GLU B 33 -5.781 -14.310 13.037 1.00 0.00 O ATOM 0 H GLU B 33 -2.654 -13.181 12.079 1.00 0.00 H new ATOM 0 HA GLU B 33 -4.778 -12.929 10.193 1.00 0.00 H new ATOM 0 HB2 GLU B 33 -3.465 -10.810 11.923 1.00 0.00 H new ATOM 0 HB3 GLU B 33 -5.080 -10.775 11.244 1.00 0.00 H new ATOM 0 HG2 GLU B 33 -4.041 -12.618 13.438 1.00 0.00 H new ATOM 0 HG3 GLU B 33 -5.270 -11.378 13.587 1.00 0.00 H new ATOM 1967 N LEU B 34 -1.895 -11.506 9.470 1.00 0.00 N ATOM 1968 CA LEU B 34 -1.149 -10.948 8.345 1.00 0.00 C ATOM 1969 C LEU B 34 -1.158 -11.913 7.154 1.00 0.00 C ATOM 1970 O LEU B 34 -1.428 -11.509 6.020 1.00 0.00 O ATOM 1971 CB LEU B 34 0.278 -10.593 8.774 1.00 0.00 C ATOM 1972 CG LEU B 34 0.306 -9.420 9.767 1.00 0.00 C ATOM 1973 CD1 LEU B 34 1.632 -9.441 10.524 1.00 0.00 C ATOM 1974 CD2 LEU B 34 0.142 -8.068 9.060 1.00 0.00 C ATOM 0 H LEU B 34 -1.327 -11.696 10.295 1.00 0.00 H new ATOM 0 HA LEU B 34 -1.638 -10.029 8.023 1.00 0.00 H new ATOM 0 HB2 LEU B 34 0.747 -11.465 9.230 1.00 0.00 H new ATOM 0 HB3 LEU B 34 0.868 -10.337 7.894 1.00 0.00 H new ATOM 0 HG LEU B 34 -0.531 -9.537 10.455 1.00 0.00 H new ATOM 0 HD11 LEU B 34 1.661 -8.612 11.231 1.00 0.00 H new ATOM 0 HD12 LEU B 34 1.727 -10.383 11.065 1.00 0.00 H new ATOM 0 HD13 LEU B 34 2.456 -9.344 9.817 1.00 0.00 H new ATOM 0 HD21 LEU B 34 0.167 -7.266 9.798 1.00 0.00 H new ATOM 0 HD22 LEU B 34 0.954 -7.930 8.346 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -0.812 -8.046 8.533 1.00 0.00 H new ATOM 1986 N LYS B 35 -0.886 -13.199 7.406 1.00 0.00 N ATOM 1987 CA LYS B 35 -0.972 -14.228 6.376 1.00 0.00 C ATOM 1988 C LYS B 35 -2.368 -14.216 5.749 1.00 0.00 C ATOM 1989 O LYS B 35 -2.499 -14.132 4.526 1.00 0.00 O ATOM 1990 CB LYS B 35 -0.635 -15.612 6.951 1.00 0.00 C ATOM 1991 CG LYS B 35 0.832 -15.728 7.383 1.00 0.00 C ATOM 1992 CD LYS B 35 1.099 -17.140 7.924 1.00 0.00 C ATOM 1993 CE LYS B 35 2.522 -17.298 8.474 1.00 0.00 C ATOM 1994 NZ LYS B 35 3.547 -17.075 7.440 1.00 0.00 N ATOM 0 H LYS B 35 -0.603 -13.548 8.322 1.00 0.00 H new ATOM 0 HA LYS B 35 -0.238 -14.011 5.600 1.00 0.00 H new ATOM 0 HB2 LYS B 35 -1.279 -15.813 7.807 1.00 0.00 H new ATOM 0 HB3 LYS B 35 -0.851 -16.375 6.203 1.00 0.00 H new ATOM 0 HG2 LYS B 35 1.488 -15.521 6.537 1.00 0.00 H new ATOM 0 HG3 LYS B 35 1.056 -14.986 8.149 1.00 0.00 H new ATOM 0 HD2 LYS B 35 0.381 -17.365 8.712 1.00 0.00 H new ATOM 0 HD3 LYS B 35 0.937 -17.867 7.128 1.00 0.00 H new ATOM 0 HE2 LYS B 35 2.674 -16.593 9.291 1.00 0.00 H new ATOM 0 HE3 LYS B 35 2.640 -18.299 8.890 1.00 0.00 H new ATOM 0 HZ1 LYS B 35 4.488 -17.275 7.835 1.00 0.00 H new ATOM 0 HZ2 LYS B 35 3.369 -17.706 6.633 1.00 0.00 H new ATOM 0 HZ3 LYS B 35 3.509 -16.086 7.121 1.00 0.00 H new ATOM 2008 N GLU B 36 -3.413 -14.275 6.584 1.00 0.00 N ATOM 2009 CA GLU B 36 -4.781 -14.185 6.099 1.00 0.00 C ATOM 2010 C GLU B 36 -4.993 -12.897 5.305 1.00 0.00 C ATOM 2011 O GLU B 36 -5.548 -12.956 4.222 1.00 0.00 O ATOM 2012 CB GLU B 36 -5.802 -14.305 7.234 1.00 0.00 C ATOM 2013 CG GLU B 36 -5.838 -15.726 7.814 1.00 0.00 C ATOM 2014 CD GLU B 36 -6.734 -15.821 9.045 1.00 0.00 C ATOM 2015 OE1 GLU B 36 -7.677 -15.005 9.134 1.00 0.00 O ATOM 2016 OE2 GLU B 36 -6.465 -16.725 9.866 1.00 0.00 O ATOM 0 H GLU B 36 -3.330 -14.384 7.595 1.00 0.00 H new ATOM 0 HA GLU B 36 -4.944 -15.031 5.431 1.00 0.00 H new ATOM 0 HB2 GLU B 36 -5.554 -13.595 8.023 1.00 0.00 H new ATOM 0 HB3 GLU B 36 -6.792 -14.037 6.864 1.00 0.00 H new ATOM 0 HG2 GLU B 36 -6.195 -16.419 7.052 1.00 0.00 H new ATOM 0 HG3 GLU B 36 -4.827 -16.035 8.078 1.00 0.00 H new ATOM 2023 N LEU B 37 -4.564 -11.739 5.804 1.00 0.00 N ATOM 2024 CA LEU B 37 -4.716 -10.471 5.102 1.00 0.00 C ATOM 2025 C LEU B 37 -4.192 -10.586 3.673 1.00 0.00 C ATOM 2026 O LEU B 37 -4.933 -10.297 2.733 1.00 0.00 O ATOM 2027 CB LEU B 37 -4.025 -9.336 5.872 1.00 0.00 C ATOM 2028 CG LEU B 37 -4.964 -8.719 6.918 1.00 0.00 C ATOM 2029 CD1 LEU B 37 -4.176 -8.025 8.029 1.00 0.00 C ATOM 2030 CD2 LEU B 37 -5.864 -7.680 6.246 1.00 0.00 C ATOM 0 H LEU B 37 -4.100 -11.656 6.709 1.00 0.00 H new ATOM 0 HA LEU B 37 -5.777 -10.227 5.047 1.00 0.00 H new ATOM 0 HB2 LEU B 37 -3.131 -9.719 6.364 1.00 0.00 H new ATOM 0 HB3 LEU B 37 -3.699 -8.565 5.173 1.00 0.00 H new ATOM 0 HG LEU B 37 -5.557 -9.524 7.352 1.00 0.00 H new ATOM 0 HD11 LEU B 37 -4.869 -7.598 8.754 1.00 0.00 H new ATOM 0 HD12 LEU B 37 -3.532 -8.750 8.526 1.00 0.00 H new ATOM 0 HD13 LEU B 37 -3.565 -7.231 7.600 1.00 0.00 H new ATOM 0 HD21 LEU B 37 -6.531 -7.242 6.988 1.00 0.00 H new ATOM 0 HD22 LEU B 37 -5.248 -6.897 5.804 1.00 0.00 H new ATOM 0 HD23 LEU B 37 -6.455 -8.160 5.466 1.00 0.00 H new ATOM 2042 N ILE B 38 -2.949 -11.044 3.496 1.00 0.00 N ATOM 2043 CA ILE B 38 -2.429 -11.289 2.154 1.00 0.00 C ATOM 2044 C ILE B 38 -3.353 -12.263 1.404 1.00 0.00 C ATOM 2045 O ILE B 38 -3.893 -11.913 0.357 1.00 0.00 O ATOM 2046 CB ILE B 38 -0.939 -11.709 2.197 1.00 0.00 C ATOM 2047 CG1 ILE B 38 -0.009 -10.503 1.977 1.00 0.00 C ATOM 2048 CG2 ILE B 38 -0.565 -12.742 1.122 1.00 0.00 C ATOM 2049 CD1 ILE B 38 -0.198 -9.376 2.992 1.00 0.00 C ATOM 0 H ILE B 38 -2.296 -11.249 4.253 1.00 0.00 H new ATOM 0 HA ILE B 38 -2.435 -10.364 1.577 1.00 0.00 H new ATOM 0 HB ILE B 38 -0.809 -12.145 3.188 1.00 0.00 H new ATOM 0 HG12 ILE B 38 1.026 -10.844 2.017 1.00 0.00 H new ATOM 0 HG13 ILE B 38 -0.176 -10.107 0.975 1.00 0.00 H new ATOM 0 HG21 ILE B 38 0.492 -12.991 1.209 1.00 0.00 H new ATOM 0 HG22 ILE B 38 -1.163 -13.643 1.259 1.00 0.00 H new ATOM 0 HG23 ILE B 38 -0.759 -12.325 0.134 1.00 0.00 H new ATOM 0 HD11 ILE B 38 0.494 -8.564 2.768 1.00 0.00 H new ATOM 0 HD12 ILE B 38 -1.222 -9.005 2.938 1.00 0.00 H new ATOM 0 HD13 ILE B 38 -0.001 -9.753 3.996 1.00 0.00 H new ATOM 2061 N GLN B 39 -3.560 -13.467 1.939 1.00 0.00 N ATOM 2062 CA GLN B 39 -4.280 -14.533 1.245 1.00 0.00 C ATOM 2063 C GLN B 39 -5.682 -14.099 0.789 1.00 0.00 C ATOM 2064 O GLN B 39 -6.114 -14.426 -0.314 1.00 0.00 O ATOM 2065 CB GLN B 39 -4.342 -15.753 2.173 1.00 0.00 C ATOM 2066 CG GLN B 39 -4.949 -16.983 1.486 1.00 0.00 C ATOM 2067 CD GLN B 39 -4.904 -18.207 2.396 1.00 0.00 C ATOM 2068 OE1 GLN B 39 -4.276 -19.208 2.073 1.00 0.00 O ATOM 2069 NE2 GLN B 39 -5.567 -18.138 3.547 1.00 0.00 N ATOM 0 H GLN B 39 -3.232 -13.730 2.868 1.00 0.00 H new ATOM 0 HA GLN B 39 -3.743 -14.786 0.331 1.00 0.00 H new ATOM 0 HB2 GLN B 39 -3.337 -15.993 2.520 1.00 0.00 H new ATOM 0 HB3 GLN B 39 -4.932 -15.505 3.055 1.00 0.00 H new ATOM 0 HG2 GLN B 39 -5.981 -16.773 1.206 1.00 0.00 H new ATOM 0 HG3 GLN B 39 -4.406 -17.192 0.565 1.00 0.00 H new ATOM 0 HE21 GLN B 39 -6.081 -17.291 3.789 1.00 0.00 H new ATOM 0 HE22 GLN B 39 -5.561 -18.932 4.187 1.00 0.00 H new ATOM 2078 N LYS B 40 -6.403 -13.410 1.670 1.00 0.00 N ATOM 2079 CA LYS B 40 -7.795 -13.032 1.513 1.00 0.00 C ATOM 2080 C LYS B 40 -7.897 -11.755 0.678 1.00 0.00 C ATOM 2081 O LYS B 40 -8.632 -11.702 -0.306 1.00 0.00 O ATOM 2082 CB LYS B 40 -8.426 -12.768 2.897 1.00 0.00 C ATOM 2083 CG LYS B 40 -8.260 -13.853 3.977 1.00 0.00 C ATOM 2084 CD LYS B 40 -9.511 -14.697 4.225 1.00 0.00 C ATOM 2085 CE LYS B 40 -9.599 -15.788 3.161 1.00 0.00 C ATOM 2086 NZ LYS B 40 -10.798 -16.625 3.342 1.00 0.00 N ATOM 0 H LYS B 40 -6.008 -13.087 2.553 1.00 0.00 H new ATOM 0 HA LYS B 40 -8.322 -13.844 1.013 1.00 0.00 H new ATOM 0 HB2 LYS B 40 -8.006 -11.840 3.286 1.00 0.00 H new ATOM 0 HB3 LYS B 40 -9.493 -12.599 2.753 1.00 0.00 H new ATOM 0 HG2 LYS B 40 -7.443 -14.514 3.688 1.00 0.00 H new ATOM 0 HG3 LYS B 40 -7.968 -13.375 4.912 1.00 0.00 H new ATOM 0 HD2 LYS B 40 -9.472 -15.144 5.219 1.00 0.00 H new ATOM 0 HD3 LYS B 40 -10.401 -14.068 4.193 1.00 0.00 H new ATOM 0 HE2 LYS B 40 -9.619 -15.331 2.171 1.00 0.00 H new ATOM 0 HE3 LYS B 40 -8.707 -16.414 3.206 1.00 0.00 H new ATOM 0 HZ1 LYS B 40 -10.826 -17.356 2.602 1.00 0.00 H new ATOM 0 HZ2 LYS B 40 -10.766 -17.080 4.277 1.00 0.00 H new ATOM 0 HZ3 LYS B 40 -11.649 -16.031 3.275 1.00 0.00 H new ATOM 2100 N GLU B 41 -7.190 -10.707 1.113 1.00 0.00 N ATOM 2101 CA GLU B 41 -7.364 -9.355 0.602 1.00 0.00 C ATOM 2102 C GLU B 41 -6.395 -9.000 -0.522 1.00 0.00 C ATOM 2103 O GLU B 41 -6.651 -8.024 -1.227 1.00 0.00 O ATOM 2104 CB GLU B 41 -7.249 -8.338 1.742 1.00 0.00 C ATOM 2105 CG GLU B 41 -8.074 -8.686 2.990 1.00 0.00 C ATOM 2106 CD GLU B 41 -9.559 -8.897 2.713 1.00 0.00 C ATOM 2107 OE1 GLU B 41 -10.101 -8.152 1.869 1.00 0.00 O ATOM 2108 OE2 GLU B 41 -10.128 -9.787 3.382 1.00 0.00 O ATOM 0 H GLU B 41 -6.475 -10.780 1.837 1.00 0.00 H new ATOM 0 HA GLU B 41 -8.364 -9.316 0.170 1.00 0.00 H new ATOM 0 HB2 GLU B 41 -6.201 -8.248 2.028 1.00 0.00 H new ATOM 0 HB3 GLU B 41 -7.564 -7.361 1.374 1.00 0.00 H new ATOM 0 HG2 GLU B 41 -7.667 -9.591 3.441 1.00 0.00 H new ATOM 0 HG3 GLU B 41 -7.961 -7.886 3.722 1.00 0.00 H new ATOM 2115 N LEU B 42 -5.301 -9.748 -0.698 1.00 0.00 N ATOM 2116 CA LEU B 42 -4.410 -9.628 -1.845 1.00 0.00 C ATOM 2117 C LEU B 42 -4.399 -10.949 -2.605 1.00 0.00 C ATOM 2118 O LEU B 42 -3.391 -11.652 -2.652 1.00 0.00 O ATOM 2119 CB LEU B 42 -2.998 -9.192 -1.421 1.00 0.00 C ATOM 2120 CG LEU B 42 -2.923 -7.710 -1.025 1.00 0.00 C ATOM 2121 CD1 LEU B 42 -1.555 -7.412 -0.412 1.00 0.00 C ATOM 2122 CD2 LEU B 42 -3.100 -6.798 -2.244 1.00 0.00 C ATOM 0 H LEU B 42 -5.009 -10.465 -0.033 1.00 0.00 H new ATOM 0 HA LEU B 42 -4.779 -8.846 -2.508 1.00 0.00 H new ATOM 0 HB2 LEU B 42 -2.671 -9.804 -0.580 1.00 0.00 H new ATOM 0 HB3 LEU B 42 -2.304 -9.379 -2.240 1.00 0.00 H new ATOM 0 HG LEU B 42 -3.724 -7.518 -0.311 1.00 0.00 H new ATOM 0 HD11 LEU B 42 -1.503 -6.360 -0.132 1.00 0.00 H new ATOM 0 HD12 LEU B 42 -1.410 -8.031 0.473 1.00 0.00 H new ATOM 0 HD13 LEU B 42 -0.774 -7.632 -1.140 1.00 0.00 H new ATOM 0 HD21 LEU B 42 -3.042 -5.756 -1.930 1.00 0.00 H new ATOM 0 HD22 LEU B 42 -2.313 -7.003 -2.969 1.00 0.00 H new ATOM 0 HD23 LEU B 42 -4.072 -6.986 -2.701 1.00 0.00 H new ATOM 2243 N ASP B 50 8.644 -11.416 -5.706 1.00 0.00 N ATOM 2244 CA ASP B 50 9.145 -11.995 -4.464 1.00 0.00 C ATOM 2245 C ASP B 50 8.546 -11.361 -3.211 1.00 0.00 C ATOM 2246 O ASP B 50 8.288 -12.071 -2.245 1.00 0.00 O ATOM 2247 CB ASP B 50 10.674 -11.890 -4.403 1.00 0.00 C ATOM 2248 CG ASP B 50 11.360 -12.521 -5.611 1.00 0.00 C ATOM 2249 OD1 ASP B 50 11.154 -11.977 -6.720 1.00 0.00 O ATOM 2250 OD2 ASP B 50 12.063 -13.533 -5.407 1.00 0.00 O ATOM 0 HA ASP B 50 8.835 -13.040 -4.475 1.00 0.00 H new ATOM 0 HB2 ASP B 50 10.959 -10.840 -4.337 1.00 0.00 H new ATOM 0 HB3 ASP B 50 11.031 -12.375 -3.494 1.00 0.00 H new ATOM 2255 N ALA B 51 8.343 -10.040 -3.229 1.00 0.00 N ATOM 2256 CA ALA B 51 7.800 -9.240 -2.138 1.00 0.00 C ATOM 2257 C ALA B 51 6.833 -10.015 -1.241 1.00 0.00 C ATOM 2258 O ALA B 51 7.075 -10.145 -0.043 1.00 0.00 O ATOM 2259 CB ALA B 51 7.079 -8.029 -2.733 1.00 0.00 C ATOM 0 H ALA B 51 8.566 -9.475 -4.049 1.00 0.00 H new ATOM 0 HA ALA B 51 8.636 -8.938 -1.508 1.00 0.00 H new ATOM 0 HB1 ALA B 51 6.667 -7.420 -1.929 1.00 0.00 H new ATOM 0 HB2 ALA B 51 7.785 -7.434 -3.313 1.00 0.00 H new ATOM 0 HB3 ALA B 51 6.271 -8.369 -3.381 1.00 0.00 H new ATOM 2265 N GLU B 52 5.737 -10.519 -1.814 1.00 0.00 N ATOM 2266 CA GLU B 52 4.672 -11.143 -1.040 1.00 0.00 C ATOM 2267 C GLU B 52 5.127 -12.479 -0.450 1.00 0.00 C ATOM 2268 O GLU B 52 4.781 -12.812 0.683 1.00 0.00 O ATOM 2269 CB GLU B 52 3.406 -11.244 -1.906 1.00 0.00 C ATOM 2270 CG GLU B 52 2.138 -11.468 -1.074 1.00 0.00 C ATOM 2271 CD GLU B 52 0.891 -11.072 -1.861 1.00 0.00 C ATOM 2272 OE1 GLU B 52 0.622 -9.852 -1.916 1.00 0.00 O ATOM 2273 OE2 GLU B 52 0.242 -11.990 -2.406 1.00 0.00 O ATOM 0 H GLU B 52 5.568 -10.504 -2.820 1.00 0.00 H new ATOM 0 HA GLU B 52 4.423 -10.523 -0.179 1.00 0.00 H new ATOM 0 HB2 GLU B 52 3.296 -10.330 -2.490 1.00 0.00 H new ATOM 0 HB3 GLU B 52 3.520 -12.064 -2.615 1.00 0.00 H new ATOM 0 HG2 GLU B 52 2.071 -12.516 -0.782 1.00 0.00 H new ATOM 0 HG3 GLU B 52 2.193 -10.884 -0.155 1.00 0.00 H new ATOM 2280 N ILE B 53 5.933 -13.226 -1.203 1.00 0.00 N ATOM 2281 CA ILE B 53 6.476 -14.501 -0.773 1.00 0.00 C ATOM 2282 C ILE B 53 7.359 -14.223 0.445 1.00 0.00 C ATOM 2283 O ILE B 53 7.158 -14.788 1.518 1.00 0.00 O ATOM 2284 CB ILE B 53 7.277 -15.172 -1.912 1.00 0.00 C ATOM 2285 CG1 ILE B 53 6.493 -15.432 -3.214 1.00 0.00 C ATOM 2286 CG2 ILE B 53 7.825 -16.523 -1.428 1.00 0.00 C ATOM 2287 CD1 ILE B 53 5.966 -14.195 -3.950 1.00 0.00 C ATOM 0 H ILE B 53 6.228 -12.953 -2.141 1.00 0.00 H new ATOM 0 HA ILE B 53 5.677 -15.195 -0.510 1.00 0.00 H new ATOM 0 HB ILE B 53 8.060 -14.454 -2.155 1.00 0.00 H new ATOM 0 HG12 ILE B 53 7.137 -15.987 -3.896 1.00 0.00 H new ATOM 0 HG13 ILE B 53 5.646 -16.077 -2.980 1.00 0.00 H new ATOM 0 HG21 ILE B 53 8.390 -16.996 -2.232 1.00 0.00 H new ATOM 0 HG22 ILE B 53 8.478 -16.364 -0.570 1.00 0.00 H new ATOM 0 HG23 ILE B 53 6.996 -17.169 -1.138 1.00 0.00 H new ATOM 0 HD11 ILE B 53 5.433 -14.506 -4.849 1.00 0.00 H new ATOM 0 HD12 ILE B 53 5.288 -13.645 -3.298 1.00 0.00 H new ATOM 0 HD13 ILE B 53 6.802 -13.553 -4.228 1.00 0.00 H new ATOM 2299 N VAL B 54 8.326 -13.322 0.274 1.00 0.00 N ATOM 2300 CA VAL B 54 9.266 -12.913 1.302 1.00 0.00 C ATOM 2301 C VAL B 54 8.511 -12.409 2.530 1.00 0.00 C ATOM 2302 O VAL B 54 8.829 -12.813 3.644 1.00 0.00 O ATOM 2303 CB VAL B 54 10.245 -11.880 0.721 1.00 0.00 C ATOM 2304 CG1 VAL B 54 11.144 -11.270 1.804 1.00 0.00 C ATOM 2305 CG2 VAL B 54 11.132 -12.560 -0.331 1.00 0.00 C ATOM 0 H VAL B 54 8.476 -12.845 -0.615 1.00 0.00 H new ATOM 0 HA VAL B 54 9.862 -13.763 1.635 1.00 0.00 H new ATOM 0 HB VAL B 54 9.656 -11.078 0.276 1.00 0.00 H new ATOM 0 HG11 VAL B 54 11.820 -10.546 1.350 1.00 0.00 H new ATOM 0 HG12 VAL B 54 10.526 -10.771 2.551 1.00 0.00 H new ATOM 0 HG13 VAL B 54 11.725 -12.059 2.281 1.00 0.00 H new ATOM 0 HG21 VAL B 54 11.828 -11.831 -0.746 1.00 0.00 H new ATOM 0 HG22 VAL B 54 11.691 -13.372 0.134 1.00 0.00 H new ATOM 0 HG23 VAL B 54 10.507 -12.961 -1.129 1.00 0.00 H new ATOM 2315 N LYS B 55 7.494 -11.562 2.343 1.00 0.00 N ATOM 2316 CA LYS B 55 6.637 -11.132 3.438 1.00 0.00 C ATOM 2317 C LYS B 55 6.064 -12.336 4.183 1.00 0.00 C ATOM 2318 O LYS B 55 6.209 -12.413 5.402 1.00 0.00 O ATOM 2319 CB LYS B 55 5.522 -10.199 2.939 1.00 0.00 C ATOM 2320 CG LYS B 55 5.760 -8.753 3.386 1.00 0.00 C ATOM 2321 CD LYS B 55 7.012 -8.153 2.734 1.00 0.00 C ATOM 2322 CE LYS B 55 7.291 -6.757 3.296 1.00 0.00 C ATOM 2323 NZ LYS B 55 7.727 -6.800 4.704 1.00 0.00 N ATOM 0 H LYS B 55 7.248 -11.162 1.437 1.00 0.00 H new ATOM 0 HA LYS B 55 7.247 -10.564 4.140 1.00 0.00 H new ATOM 0 HB2 LYS B 55 5.470 -10.241 1.851 1.00 0.00 H new ATOM 0 HB3 LYS B 55 4.560 -10.545 3.317 1.00 0.00 H new ATOM 0 HG2 LYS B 55 4.891 -8.146 3.131 1.00 0.00 H new ATOM 0 HG3 LYS B 55 5.864 -8.720 4.471 1.00 0.00 H new ATOM 0 HD2 LYS B 55 7.869 -8.802 2.913 1.00 0.00 H new ATOM 0 HD3 LYS B 55 6.875 -8.096 1.654 1.00 0.00 H new ATOM 0 HE2 LYS B 55 8.059 -6.272 2.694 1.00 0.00 H new ATOM 0 HE3 LYS B 55 6.391 -6.148 3.215 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 8.112 -5.873 4.977 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 6.915 -7.030 5.312 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 8.461 -7.527 4.818 1.00 0.00 H new ATOM 2337 N LEU B 56 5.424 -13.266 3.469 1.00 0.00 N ATOM 2338 CA LEU B 56 4.864 -14.464 4.082 1.00 0.00 C ATOM 2339 C LEU B 56 5.932 -15.255 4.844 1.00 0.00 C ATOM 2340 O LEU B 56 5.663 -15.706 5.955 1.00 0.00 O ATOM 2341 CB LEU B 56 4.160 -15.342 3.035 1.00 0.00 C ATOM 2342 CG LEU B 56 2.845 -14.742 2.508 1.00 0.00 C ATOM 2343 CD1 LEU B 56 2.421 -15.505 1.247 1.00 0.00 C ATOM 2344 CD2 LEU B 56 1.723 -14.828 3.550 1.00 0.00 C ATOM 0 H LEU B 56 5.283 -13.207 2.461 1.00 0.00 H new ATOM 0 HA LEU B 56 4.116 -14.145 4.808 1.00 0.00 H new ATOM 0 HB2 LEU B 56 4.837 -15.505 2.196 1.00 0.00 H new ATOM 0 HB3 LEU B 56 3.954 -16.319 3.472 1.00 0.00 H new ATOM 0 HG LEU B 56 3.016 -13.689 2.285 1.00 0.00 H new ATOM 0 HD11 LEU B 56 1.489 -15.087 0.865 1.00 0.00 H new ATOM 0 HD12 LEU B 56 3.198 -15.413 0.488 1.00 0.00 H new ATOM 0 HD13 LEU B 56 2.274 -16.557 1.491 1.00 0.00 H new ATOM 0 HD21 LEU B 56 0.811 -14.394 3.140 1.00 0.00 H new ATOM 0 HD22 LEU B 56 1.544 -15.872 3.807 1.00 0.00 H new ATOM 0 HD23 LEU B 56 2.015 -14.279 4.445 1.00 0.00 H new ATOM 2356 N MET B 57 7.131 -15.436 4.274 1.00 0.00 N ATOM 2357 CA MET B 57 8.194 -16.159 4.967 1.00 0.00 C ATOM 2358 C MET B 57 8.570 -15.406 6.249 1.00 0.00 C ATOM 2359 O MET B 57 8.477 -15.935 7.354 1.00 0.00 O ATOM 2360 CB MET B 57 9.443 -16.334 4.086 1.00 0.00 C ATOM 2361 CG MET B 57 9.284 -17.093 2.759 1.00 0.00 C ATOM 2362 SD MET B 57 8.426 -18.690 2.744 1.00 0.00 S ATOM 2363 CE MET B 57 6.723 -18.174 2.427 1.00 0.00 C ATOM 0 H MET B 57 7.383 -15.095 3.346 1.00 0.00 H new ATOM 0 HA MET B 57 7.819 -17.154 5.208 1.00 0.00 H new ATOM 0 HB2 MET B 57 9.835 -15.342 3.860 1.00 0.00 H new ATOM 0 HB3 MET B 57 10.200 -16.849 4.677 1.00 0.00 H new ATOM 0 HG2 MET B 57 8.761 -16.434 2.066 1.00 0.00 H new ATOM 0 HG3 MET B 57 10.283 -17.254 2.353 1.00 0.00 H new ATOM 0 HE1 MET B 57 6.152 -19.019 2.043 1.00 0.00 H new ATOM 0 HE2 MET B 57 6.271 -17.822 3.354 1.00 0.00 H new ATOM 0 HE3 MET B 57 6.718 -17.369 1.692 1.00 0.00 H new ATOM 2373 N ASP B 58 9.000 -14.153 6.082 1.00 0.00 N ATOM 2374 CA ASP B 58 9.499 -13.286 7.141 1.00 0.00 C ATOM 2375 C ASP B 58 8.489 -13.175 8.278 1.00 0.00 C ATOM 2376 O ASP B 58 8.878 -13.170 9.444 1.00 0.00 O ATOM 2377 CB ASP B 58 9.775 -11.884 6.580 1.00 0.00 C ATOM 2378 CG ASP B 58 10.958 -11.793 5.620 1.00 0.00 C ATOM 2379 OD1 ASP B 58 11.631 -12.825 5.407 1.00 0.00 O ATOM 2380 OD2 ASP B 58 11.166 -10.668 5.116 1.00 0.00 O ATOM 0 H ASP B 58 9.009 -13.701 5.168 1.00 0.00 H new ATOM 0 HA ASP B 58 10.420 -13.722 7.528 1.00 0.00 H new ATOM 0 HB2 ASP B 58 8.881 -11.533 6.065 1.00 0.00 H new ATOM 0 HB3 ASP B 58 9.950 -11.204 7.414 1.00 0.00 H new ATOM 2385 N ASP B 59 7.201 -13.067 7.930 1.00 0.00 N ATOM 2386 CA ASP B 59 6.091 -12.823 8.841 1.00 0.00 C ATOM 2387 C ASP B 59 6.241 -13.576 10.163 1.00 0.00 C ATOM 2388 O ASP B 59 6.121 -12.979 11.234 1.00 0.00 O ATOM 2389 CB ASP B 59 4.783 -13.232 8.156 1.00 0.00 C ATOM 2390 CG ASP B 59 3.599 -13.046 9.088 1.00 0.00 C ATOM 2391 OD1 ASP B 59 3.277 -11.870 9.360 1.00 0.00 O ATOM 2392 OD2 ASP B 59 3.056 -14.080 9.525 1.00 0.00 O ATOM 0 H ASP B 59 6.897 -13.152 6.960 1.00 0.00 H new ATOM 0 HA ASP B 59 6.084 -11.759 9.079 1.00 0.00 H new ATOM 0 HB2 ASP B 59 4.638 -12.636 7.255 1.00 0.00 H new ATOM 0 HB3 ASP B 59 4.843 -14.274 7.842 1.00 0.00 H new ATOM 2397 N LEU B 60 6.496 -14.885 10.093 1.00 0.00 N ATOM 2398 CA LEU B 60 6.577 -15.722 11.284 1.00 0.00 C ATOM 2399 C LEU B 60 7.662 -15.234 12.250 1.00 0.00 C ATOM 2400 O LEU B 60 7.449 -15.235 13.460 1.00 0.00 O ATOM 2401 CB LEU B 60 6.716 -17.203 10.897 1.00 0.00 C ATOM 2402 CG LEU B 60 8.055 -17.574 10.233 1.00 0.00 C ATOM 2403 CD1 LEU B 60 9.044 -18.158 11.251 1.00 0.00 C ATOM 2404 CD2 LEU B 60 7.819 -18.609 9.126 1.00 0.00 C ATOM 0 H LEU B 60 6.650 -15.386 9.218 1.00 0.00 H new ATOM 0 HA LEU B 60 5.641 -15.633 11.836 1.00 0.00 H new ATOM 0 HB2 LEU B 60 6.590 -17.811 11.793 1.00 0.00 H new ATOM 0 HB3 LEU B 60 5.905 -17.464 10.217 1.00 0.00 H new ATOM 0 HG LEU B 60 8.480 -16.661 9.815 1.00 0.00 H new ATOM 0 HD11 LEU B 60 9.978 -18.409 10.748 1.00 0.00 H new ATOM 0 HD12 LEU B 60 9.238 -17.423 12.032 1.00 0.00 H new ATOM 0 HD13 LEU B 60 8.619 -19.057 11.696 1.00 0.00 H new ATOM 0 HD21 LEU B 60 8.770 -18.867 8.660 1.00 0.00 H new ATOM 0 HD22 LEU B 60 7.370 -19.505 9.555 1.00 0.00 H new ATOM 0 HD23 LEU B 60 7.149 -18.192 8.375 1.00 0.00 H new ATOM 2416 N ASP B 61 8.809 -14.791 11.723 1.00 0.00 N ATOM 2417 CA ASP B 61 9.894 -14.253 12.531 1.00 0.00 C ATOM 2418 C ASP B 61 9.548 -12.831 12.964 1.00 0.00 C ATOM 2419 O ASP B 61 9.715 -12.473 14.126 1.00 0.00 O ATOM 2420 CB ASP B 61 11.209 -14.275 11.745 1.00 0.00 C ATOM 2421 CG ASP B 61 12.334 -13.642 12.559 1.00 0.00 C ATOM 2422 OD1 ASP B 61 12.903 -14.367 13.403 1.00 0.00 O ATOM 2423 OD2 ASP B 61 12.596 -12.440 12.335 1.00 0.00 O ATOM 0 H ASP B 61 9.005 -14.798 10.722 1.00 0.00 H new ATOM 0 HA ASP B 61 10.023 -14.873 13.418 1.00 0.00 H new ATOM 0 HB2 ASP B 61 11.470 -15.303 11.492 1.00 0.00 H new ATOM 0 HB3 ASP B 61 11.086 -13.737 10.805 1.00 0.00 H new ATOM 2428 N ARG B 62 9.060 -12.020 12.021 1.00 0.00 N ATOM 2429 CA ARG B 62 8.663 -10.643 12.272 1.00 0.00 C ATOM 2430 C ARG B 62 7.758 -10.576 13.505 1.00 0.00 C ATOM 2431 O ARG B 62 7.951 -9.741 14.384 1.00 0.00 O ATOM 2432 CB ARG B 62 7.950 -10.077 11.036 1.00 0.00 C ATOM 2433 CG ARG B 62 7.981 -8.544 11.022 1.00 0.00 C ATOM 2434 CD ARG B 62 6.951 -7.971 10.038 1.00 0.00 C ATOM 2435 NE ARG B 62 6.875 -8.740 8.788 1.00 0.00 N ATOM 2436 CZ ARG B 62 7.750 -8.701 7.775 1.00 0.00 C ATOM 2437 NH1 ARG B 62 8.851 -7.947 7.858 1.00 0.00 N ATOM 2438 NH2 ARG B 62 7.516 -9.430 6.680 1.00 0.00 N ATOM 0 H ARG B 62 8.930 -12.311 11.052 1.00 0.00 H new ATOM 0 HA ARG B 62 9.549 -10.039 12.467 1.00 0.00 H new ATOM 0 HB2 ARG B 62 8.426 -10.460 10.133 1.00 0.00 H new ATOM 0 HB3 ARG B 62 6.916 -10.421 11.022 1.00 0.00 H new ATOM 0 HG2 ARG B 62 7.779 -8.165 12.024 1.00 0.00 H new ATOM 0 HG3 ARG B 62 8.979 -8.201 10.747 1.00 0.00 H new ATOM 0 HD2 ARG B 62 5.970 -7.957 10.512 1.00 0.00 H new ATOM 0 HD3 ARG B 62 7.209 -6.937 9.809 1.00 0.00 H new ATOM 0 HE ARG B 62 6.076 -9.366 8.681 1.00 0.00 H new ATOM 0 HH11 ARG B 62 9.030 -7.396 8.697 1.00 0.00 H new ATOM 0 HH12 ARG B 62 9.512 -7.923 7.082 1.00 0.00 H new ATOM 0 HH21 ARG B 62 6.678 -10.008 6.622 1.00 0.00 H new ATOM 0 HH22 ARG B 62 8.175 -9.408 5.902 1.00 0.00 H new ATOM 2452 N ASN B 63 6.796 -11.500 13.590 1.00 0.00 N ATOM 2453 CA ASN B 63 5.862 -11.575 14.704 1.00 0.00 C ATOM 2454 C ASN B 63 6.427 -12.396 15.868 1.00 0.00 C ATOM 2455 O ASN B 63 5.670 -13.046 16.586 1.00 0.00 O ATOM 2456 CB ASN B 63 4.519 -12.144 14.235 1.00 0.00 C ATOM 2457 CG ASN B 63 3.769 -11.202 13.301 1.00 0.00 C ATOM 2458 OD1 ASN B 63 2.800 -10.562 13.699 1.00 0.00 O ATOM 2459 ND2 ASN B 63 4.180 -11.136 12.041 1.00 0.00 N ATOM 0 H ASN B 63 6.647 -12.218 12.881 1.00 0.00 H new ATOM 0 HA ASN B 63 5.704 -10.562 15.073 1.00 0.00 H new ATOM 0 HB2 ASN B 63 4.690 -13.092 13.726 1.00 0.00 H new ATOM 0 HB3 ASN B 63 3.897 -12.357 15.104 1.00 0.00 H new ATOM 0 HD21 ASN B 63 3.687 -10.542 11.374 1.00 0.00 H new ATOM 0 HD22 ASN B 63 4.989 -11.679 11.739 1.00 0.00 H new ATOM 2517 N GLU B 67 2.156 -10.064 18.161 1.00 0.00 N ATOM 2518 CA GLU B 67 1.341 -9.059 17.496 1.00 0.00 C ATOM 2519 C GLU B 67 2.188 -7.908 16.955 1.00 0.00 C ATOM 2520 O GLU B 67 3.289 -7.647 17.435 1.00 0.00 O ATOM 2521 CB GLU B 67 0.273 -8.512 18.454 1.00 0.00 C ATOM 2522 CG GLU B 67 -0.820 -9.539 18.769 1.00 0.00 C ATOM 2523 CD GLU B 67 -1.954 -8.911 19.575 1.00 0.00 C ATOM 2524 OE1 GLU B 67 -2.827 -8.279 18.938 1.00 0.00 O ATOM 2525 OE2 GLU B 67 -1.921 -9.064 20.815 1.00 0.00 O ATOM 0 HA GLU B 67 0.854 -9.546 16.651 1.00 0.00 H new ATOM 0 HB2 GLU B 67 0.750 -8.199 19.383 1.00 0.00 H new ATOM 0 HB3 GLU B 67 -0.183 -7.625 18.015 1.00 0.00 H new ATOM 0 HG2 GLU B 67 -1.215 -9.950 17.840 1.00 0.00 H new ATOM 0 HG3 GLU B 67 -0.391 -10.371 19.328 1.00 0.00 H new ATOM 2532 N VAL B 68 1.622 -7.202 15.974 1.00 0.00 N ATOM 2533 CA VAL B 68 2.077 -5.928 15.452 1.00 0.00 C ATOM 2534 C VAL B 68 0.886 -4.975 15.563 1.00 0.00 C ATOM 2535 O VAL B 68 -0.265 -5.425 15.543 1.00 0.00 O ATOM 2536 CB VAL B 68 2.568 -6.053 13.998 1.00 0.00 C ATOM 2537 CG1 VAL B 68 3.776 -6.992 13.908 1.00 0.00 C ATOM 2538 CG2 VAL B 68 1.476 -6.508 13.023 1.00 0.00 C ATOM 0 H VAL B 68 0.782 -7.532 15.499 1.00 0.00 H new ATOM 0 HA VAL B 68 2.932 -5.556 16.017 1.00 0.00 H new ATOM 0 HB VAL B 68 2.863 -5.048 13.695 1.00 0.00 H new ATOM 0 HG11 VAL B 68 4.104 -7.064 12.871 1.00 0.00 H new ATOM 0 HG12 VAL B 68 4.588 -6.599 14.520 1.00 0.00 H new ATOM 0 HG13 VAL B 68 3.495 -7.981 14.269 1.00 0.00 H new ATOM 0 HG21 VAL B 68 1.891 -6.575 12.017 1.00 0.00 H new ATOM 0 HG22 VAL B 68 1.101 -7.486 13.327 1.00 0.00 H new ATOM 0 HG23 VAL B 68 0.658 -5.788 13.031 1.00 0.00 H new ATOM 2548 N ASN B 69 1.160 -3.673 15.695 1.00 0.00 N ATOM 2549 CA ASN B 69 0.131 -2.639 15.714 1.00 0.00 C ATOM 2550 C ASN B 69 -0.122 -2.111 14.308 1.00 0.00 C ATOM 2551 O ASN B 69 0.658 -2.370 13.389 1.00 0.00 O ATOM 2552 CB ASN B 69 0.509 -1.488 16.655 1.00 0.00 C ATOM 2553 CG ASN B 69 1.610 -0.623 16.052 1.00 0.00 C ATOM 2554 OD1 ASN B 69 1.351 0.242 15.220 1.00 0.00 O ATOM 2555 ND2 ASN B 69 2.853 -0.891 16.435 1.00 0.00 N ATOM 0 H ASN B 69 2.108 -3.309 15.792 1.00 0.00 H new ATOM 0 HA ASN B 69 -0.786 -3.092 16.091 1.00 0.00 H new ATOM 0 HB2 ASN B 69 -0.370 -0.875 16.856 1.00 0.00 H new ATOM 0 HB3 ASN B 69 0.842 -1.891 17.611 1.00 0.00 H new ATOM 0 HD21 ASN B 69 3.633 -0.370 16.035 1.00 0.00 H new ATOM 0 HD22 ASN B 69 3.027 -1.618 17.129 1.00 0.00 H new ATOM 2562 N PHE B 70 -1.196 -1.327 14.180 1.00 0.00 N ATOM 2563 CA PHE B 70 -1.603 -0.659 12.954 1.00 0.00 C ATOM 2564 C PHE B 70 -0.421 -0.181 12.105 1.00 0.00 C ATOM 2565 O PHE B 70 -0.272 -0.640 10.979 1.00 0.00 O ATOM 2566 CB PHE B 70 -2.564 0.489 13.280 1.00 0.00 C ATOM 2567 CG PHE B 70 -3.078 1.225 12.057 1.00 0.00 C ATOM 2568 CD1 PHE B 70 -3.879 0.552 11.115 1.00 0.00 C ATOM 2569 CD2 PHE B 70 -2.768 2.584 11.865 1.00 0.00 C ATOM 2570 CE1 PHE B 70 -4.399 1.242 10.008 1.00 0.00 C ATOM 2571 CE2 PHE B 70 -3.280 3.271 10.751 1.00 0.00 C ATOM 2572 CZ PHE B 70 -4.098 2.604 9.824 1.00 0.00 C ATOM 0 H PHE B 70 -1.825 -1.137 14.960 1.00 0.00 H new ATOM 0 HA PHE B 70 -2.122 -1.395 12.340 1.00 0.00 H new ATOM 0 HB2 PHE B 70 -3.413 0.092 13.837 1.00 0.00 H new ATOM 0 HB3 PHE B 70 -2.058 1.199 13.934 1.00 0.00 H new ATOM 0 HD1 PHE B 70 -4.094 -0.498 11.244 1.00 0.00 H new ATOM 0 HD2 PHE B 70 -2.137 3.099 12.574 1.00 0.00 H new ATOM 0 HE1 PHE B 70 -5.030 0.727 9.298 1.00 0.00 H new ATOM 0 HE2 PHE B 70 -3.044 4.315 10.607 1.00 0.00 H new ATOM 0 HZ PHE B 70 -4.495 3.136 8.972 1.00 0.00 H new ATOM 2582 N GLN B 71 0.443 0.705 12.610 1.00 0.00 N ATOM 2583 CA GLN B 71 1.481 1.279 11.756 1.00 0.00 C ATOM 2584 C GLN B 71 2.455 0.205 11.267 1.00 0.00 C ATOM 2585 O GLN B 71 2.982 0.309 10.161 1.00 0.00 O ATOM 2586 CB GLN B 71 2.226 2.428 12.450 1.00 0.00 C ATOM 2587 CG GLN B 71 3.034 3.288 11.458 1.00 0.00 C ATOM 2588 CD GLN B 71 2.139 4.167 10.592 1.00 0.00 C ATOM 2589 OE1 GLN B 71 1.594 5.158 11.063 1.00 0.00 O ATOM 2590 NE2 GLN B 71 1.995 3.829 9.314 1.00 0.00 N ATOM 0 H GLN B 71 0.445 1.031 13.576 1.00 0.00 H new ATOM 0 HA GLN B 71 0.980 1.700 10.884 1.00 0.00 H new ATOM 0 HB2 GLN B 71 1.508 3.060 12.973 1.00 0.00 H new ATOM 0 HB3 GLN B 71 2.899 2.019 13.204 1.00 0.00 H new ATOM 0 HG2 GLN B 71 3.732 3.917 12.011 1.00 0.00 H new ATOM 0 HG3 GLN B 71 3.630 2.637 10.818 1.00 0.00 H new ATOM 0 HE21 GLN B 71 2.461 2.998 8.951 1.00 0.00 H new ATOM 0 HE22 GLN B 71 1.418 4.401 8.697 1.00 0.00 H new ATOM 2599 N GLU B 72 2.696 -0.841 12.060 1.00 0.00 N ATOM 2600 CA GLU B 72 3.574 -1.926 11.646 1.00 0.00 C ATOM 2601 C GLU B 72 2.869 -2.812 10.613 1.00 0.00 C ATOM 2602 O GLU B 72 3.499 -3.249 9.650 1.00 0.00 O ATOM 2603 CB GLU B 72 4.117 -2.672 12.869 1.00 0.00 C ATOM 2604 CG GLU B 72 5.391 -2.003 13.419 1.00 0.00 C ATOM 2605 CD GLU B 72 5.250 -0.501 13.680 1.00 0.00 C ATOM 2606 OE1 GLU B 72 5.491 0.272 12.729 1.00 0.00 O ATOM 2607 OE2 GLU B 72 4.916 -0.150 14.832 1.00 0.00 O ATOM 0 H GLU B 72 2.294 -0.955 12.990 1.00 0.00 H new ATOM 0 HA GLU B 72 4.453 -1.529 11.139 1.00 0.00 H new ATOM 0 HB2 GLU B 72 3.355 -2.700 13.647 1.00 0.00 H new ATOM 0 HB3 GLU B 72 4.335 -3.705 12.599 1.00 0.00 H new ATOM 0 HG2 GLU B 72 5.674 -2.497 14.349 1.00 0.00 H new ATOM 0 HG3 GLU B 72 6.205 -2.162 12.712 1.00 0.00 H new ATOM 2614 N TYR B 73 1.559 -3.029 10.749 1.00 0.00 N ATOM 2615 CA TYR B 73 0.772 -3.646 9.682 1.00 0.00 C ATOM 2616 C TYR B 73 0.922 -2.814 8.400 1.00 0.00 C ATOM 2617 O TYR B 73 1.243 -3.341 7.333 1.00 0.00 O ATOM 2618 CB TYR B 73 -0.696 -3.799 10.116 1.00 0.00 C ATOM 2619 CG TYR B 73 -1.737 -3.562 9.032 1.00 0.00 C ATOM 2620 CD1 TYR B 73 -2.024 -4.562 8.085 1.00 0.00 C ATOM 2621 CD2 TYR B 73 -2.440 -2.341 8.985 1.00 0.00 C ATOM 2622 CE1 TYR B 73 -3.041 -4.360 7.134 1.00 0.00 C ATOM 2623 CE2 TYR B 73 -3.435 -2.131 8.016 1.00 0.00 C ATOM 2624 CZ TYR B 73 -3.759 -3.152 7.111 1.00 0.00 C ATOM 2625 OH TYR B 73 -4.789 -2.990 6.233 1.00 0.00 O ATOM 0 H TYR B 73 1.024 -2.788 11.583 1.00 0.00 H new ATOM 0 HA TYR B 73 1.142 -4.650 9.476 1.00 0.00 H new ATOM 0 HB2 TYR B 73 -0.835 -4.805 10.512 1.00 0.00 H new ATOM 0 HB3 TYR B 73 -0.887 -3.105 10.934 1.00 0.00 H new ATOM 0 HD1 TYR B 73 -1.463 -5.485 8.088 1.00 0.00 H new ATOM 0 HD2 TYR B 73 -2.212 -1.563 9.698 1.00 0.00 H new ATOM 0 HE1 TYR B 73 -3.271 -5.136 6.419 1.00 0.00 H new ATOM 0 HE2 TYR B 73 -3.950 -1.183 7.968 1.00 0.00 H new ATOM 0 HH TYR B 73 -5.399 -2.300 6.568 1.00 0.00 H new ATOM 2635 N ILE B 74 0.730 -1.500 8.508 1.00 0.00 N ATOM 2636 CA ILE B 74 0.927 -0.587 7.396 1.00 0.00 C ATOM 2637 C ILE B 74 2.358 -0.711 6.863 1.00 0.00 C ATOM 2638 O ILE B 74 2.558 -0.661 5.656 1.00 0.00 O ATOM 2639 CB ILE B 74 0.591 0.860 7.797 1.00 0.00 C ATOM 2640 CG1 ILE B 74 -0.865 1.077 8.256 1.00 0.00 C ATOM 2641 CG2 ILE B 74 0.878 1.794 6.632 1.00 0.00 C ATOM 2642 CD1 ILE B 74 -1.903 0.995 7.133 1.00 0.00 C ATOM 0 H ILE B 74 0.434 -1.044 9.371 1.00 0.00 H new ATOM 0 HA ILE B 74 0.241 -0.860 6.594 1.00 0.00 H new ATOM 0 HB ILE B 74 1.224 1.079 8.657 1.00 0.00 H new ATOM 0 HG12 ILE B 74 -1.109 0.333 9.014 1.00 0.00 H new ATOM 0 HG13 ILE B 74 -0.941 2.054 8.733 1.00 0.00 H new ATOM 0 HG21 ILE B 74 0.639 2.818 6.919 1.00 0.00 H new ATOM 0 HG22 ILE B 74 1.933 1.729 6.365 1.00 0.00 H new ATOM 0 HG23 ILE B 74 0.268 1.506 5.776 1.00 0.00 H new ATOM 0 HD11 ILE B 74 -2.899 1.159 7.545 1.00 0.00 H new ATOM 0 HD12 ILE B 74 -1.690 1.758 6.384 1.00 0.00 H new ATOM 0 HD13 ILE B 74 -1.860 0.009 6.669 1.00 0.00 H new ATOM 2654 N THR B 75 3.360 -0.873 7.732 1.00 0.00 N ATOM 2655 CA THR B 75 4.737 -1.089 7.299 1.00 0.00 C ATOM 2656 C THR B 75 4.853 -2.389 6.502 1.00 0.00 C ATOM 2657 O THR B 75 5.537 -2.418 5.484 1.00 0.00 O ATOM 2658 CB THR B 75 5.716 -1.032 8.480 1.00 0.00 C ATOM 2659 OG1 THR B 75 5.561 0.197 9.159 1.00 0.00 O ATOM 2660 CG2 THR B 75 7.171 -1.113 8.009 1.00 0.00 C ATOM 0 H THR B 75 3.238 -0.858 8.745 1.00 0.00 H new ATOM 0 HA THR B 75 5.019 -0.274 6.632 1.00 0.00 H new ATOM 0 HB THR B 75 5.496 -1.880 9.128 1.00 0.00 H new ATOM 0 HG1 THR B 75 4.669 0.238 9.562 1.00 0.00 H new ATOM 0 HG21 THR B 75 7.836 -1.070 8.872 1.00 0.00 H new ATOM 0 HG22 THR B 75 7.329 -2.050 7.476 1.00 0.00 H new ATOM 0 HG23 THR B 75 7.385 -0.277 7.344 1.00 0.00 H new ATOM 2668 N PHE B 76 4.173 -3.457 6.929 1.00 0.00 N ATOM 2669 CA PHE B 76 4.106 -4.700 6.166 1.00 0.00 C ATOM 2670 C PHE B 76 3.628 -4.389 4.741 1.00 0.00 C ATOM 2671 O PHE B 76 4.316 -4.691 3.766 1.00 0.00 O ATOM 2672 CB PHE B 76 3.193 -5.712 6.880 1.00 0.00 C ATOM 2673 CG PHE B 76 3.392 -7.167 6.496 1.00 0.00 C ATOM 2674 CD1 PHE B 76 2.833 -7.670 5.305 1.00 0.00 C ATOM 2675 CD2 PHE B 76 3.971 -8.056 7.419 1.00 0.00 C ATOM 2676 CE1 PHE B 76 2.864 -9.052 5.040 1.00 0.00 C ATOM 2677 CE2 PHE B 76 3.991 -9.437 7.156 1.00 0.00 C ATOM 2678 CZ PHE B 76 3.445 -9.935 5.965 1.00 0.00 C ATOM 0 H PHE B 76 3.657 -3.482 7.809 1.00 0.00 H new ATOM 0 HA PHE B 76 5.094 -5.156 6.099 1.00 0.00 H new ATOM 0 HB2 PHE B 76 3.346 -5.615 7.955 1.00 0.00 H new ATOM 0 HB3 PHE B 76 2.156 -5.442 6.680 1.00 0.00 H new ATOM 0 HD1 PHE B 76 2.380 -6.995 4.594 1.00 0.00 H new ATOM 0 HD2 PHE B 76 4.402 -7.676 8.334 1.00 0.00 H new ATOM 0 HE1 PHE B 76 2.440 -9.434 4.123 1.00 0.00 H new ATOM 0 HE2 PHE B 76 4.428 -10.116 7.873 1.00 0.00 H new ATOM 0 HZ PHE B 76 3.471 -10.995 5.759 1.00 0.00 H new ATOM 2688 N LEU B 77 2.462 -3.744 4.627 1.00 0.00 N ATOM 2689 CA LEU B 77 1.893 -3.384 3.331 1.00 0.00 C ATOM 2690 C LEU B 77 2.803 -2.437 2.543 1.00 0.00 C ATOM 2691 O LEU B 77 2.934 -2.565 1.330 1.00 0.00 O ATOM 2692 CB LEU B 77 0.507 -2.748 3.496 1.00 0.00 C ATOM 2693 CG LEU B 77 -0.551 -3.646 4.158 1.00 0.00 C ATOM 2694 CD1 LEU B 77 -1.896 -2.918 4.080 1.00 0.00 C ATOM 2695 CD2 LEU B 77 -0.672 -5.018 3.482 1.00 0.00 C ATOM 0 H LEU B 77 1.893 -3.460 5.425 1.00 0.00 H new ATOM 0 HA LEU B 77 1.799 -4.311 2.765 1.00 0.00 H new ATOM 0 HB2 LEU B 77 0.610 -1.839 4.088 1.00 0.00 H new ATOM 0 HB3 LEU B 77 0.143 -2.449 2.513 1.00 0.00 H new ATOM 0 HG LEU B 77 -0.250 -3.831 5.189 1.00 0.00 H new ATOM 0 HD11 LEU B 77 -2.669 -3.531 4.543 1.00 0.00 H new ATOM 0 HD12 LEU B 77 -1.825 -1.966 4.606 1.00 0.00 H new ATOM 0 HD13 LEU B 77 -2.152 -2.738 3.036 1.00 0.00 H new ATOM 0 HD21 LEU B 77 -1.433 -5.609 3.991 1.00 0.00 H new ATOM 0 HD22 LEU B 77 -0.954 -4.885 2.438 1.00 0.00 H new ATOM 0 HD23 LEU B 77 0.286 -5.536 3.536 1.00 0.00 H new ATOM 2707 N GLY B 78 3.411 -1.461 3.212 1.00 0.00 N ATOM 2708 CA GLY B 78 4.213 -0.432 2.579 1.00 0.00 C ATOM 2709 C GLY B 78 5.517 -1.015 2.043 1.00 0.00 C ATOM 2710 O GLY B 78 5.906 -0.726 0.916 1.00 0.00 O ATOM 0 H GLY B 78 3.356 -1.366 4.226 1.00 0.00 H new ATOM 0 HA2 GLY B 78 3.651 0.024 1.764 1.00 0.00 H new ATOM 0 HA3 GLY B 78 4.431 0.359 3.297 1.00 0.00 H new ATOM 2714 N ALA B 79 6.183 -1.864 2.824 1.00 0.00 N ATOM 2715 CA ALA B 79 7.372 -2.575 2.384 1.00 0.00 C ATOM 2716 C ALA B 79 7.015 -3.531 1.245 1.00 0.00 C ATOM 2717 O ALA B 79 7.695 -3.553 0.223 1.00 0.00 O ATOM 2718 CB ALA B 79 7.995 -3.309 3.573 1.00 0.00 C ATOM 0 H ALA B 79 5.908 -2.076 3.783 1.00 0.00 H new ATOM 0 HA ALA B 79 8.110 -1.870 2.000 1.00 0.00 H new ATOM 0 HB1 ALA B 79 8.887 -3.843 3.244 1.00 0.00 H new ATOM 0 HB2 ALA B 79 8.267 -2.588 4.344 1.00 0.00 H new ATOM 0 HB3 ALA B 79 7.276 -4.020 3.979 1.00 0.00 H new ATOM 2724 N LEU B 80 5.936 -4.307 1.400 1.00 0.00 N ATOM 2725 CA LEU B 80 5.416 -5.173 0.344 1.00 0.00 C ATOM 2726 C LEU B 80 5.274 -4.369 -0.957 1.00 0.00 C ATOM 2727 O LEU B 80 5.844 -4.719 -1.996 1.00 0.00 O ATOM 2728 CB LEU B 80 4.068 -5.739 0.819 1.00 0.00 C ATOM 2729 CG LEU B 80 3.328 -6.587 -0.218 1.00 0.00 C ATOM 2730 CD1 LEU B 80 3.879 -8.007 -0.221 1.00 0.00 C ATOM 2731 CD2 LEU B 80 1.836 -6.647 0.115 1.00 0.00 C ATOM 0 H LEU B 80 5.399 -4.350 2.266 1.00 0.00 H new ATOM 0 HA LEU B 80 6.095 -6.001 0.140 1.00 0.00 H new ATOM 0 HB2 LEU B 80 4.237 -6.345 1.709 1.00 0.00 H new ATOM 0 HB3 LEU B 80 3.426 -4.910 1.115 1.00 0.00 H new ATOM 0 HG LEU B 80 3.470 -6.130 -1.197 1.00 0.00 H new ATOM 0 HD11 LEU B 80 3.346 -8.603 -0.962 1.00 0.00 H new ATOM 0 HD12 LEU B 80 4.940 -7.985 -0.468 1.00 0.00 H new ATOM 0 HD13 LEU B 80 3.746 -8.451 0.765 1.00 0.00 H new ATOM 0 HD21 LEU B 80 1.321 -7.253 -0.630 1.00 0.00 H new ATOM 0 HD22 LEU B 80 1.701 -7.092 1.101 1.00 0.00 H new ATOM 0 HD23 LEU B 80 1.422 -5.639 0.112 1.00 0.00 H new ATOM 2743 N ALA B 81 4.517 -3.274 -0.861 1.00 0.00 N ATOM 2744 CA ALA B 81 4.281 -2.334 -1.936 1.00 0.00 C ATOM 2745 C ALA B 81 5.596 -1.869 -2.546 1.00 0.00 C ATOM 2746 O ALA B 81 5.759 -1.969 -3.760 1.00 0.00 O ATOM 2747 CB ALA B 81 3.457 -1.151 -1.425 1.00 0.00 C ATOM 0 H ALA B 81 4.039 -3.017 0.002 1.00 0.00 H new ATOM 0 HA ALA B 81 3.714 -2.833 -2.722 1.00 0.00 H new ATOM 0 HB1 ALA B 81 3.284 -0.449 -2.240 1.00 0.00 H new ATOM 0 HB2 ALA B 81 2.500 -1.511 -1.047 1.00 0.00 H new ATOM 0 HB3 ALA B 81 3.999 -0.650 -0.623 1.00 0.00 H new ATOM 2753 N MET B 82 6.516 -1.366 -1.721 1.00 0.00 N ATOM 2754 CA MET B 82 7.816 -0.873 -2.146 1.00 0.00 C ATOM 2755 C MET B 82 8.555 -1.937 -2.952 1.00 0.00 C ATOM 2756 O MET B 82 9.080 -1.637 -4.020 1.00 0.00 O ATOM 2757 CB MET B 82 8.628 -0.433 -0.920 1.00 0.00 C ATOM 2758 CG MET B 82 9.959 0.223 -1.305 1.00 0.00 C ATOM 2759 SD MET B 82 11.042 0.685 0.074 1.00 0.00 S ATOM 2760 CE MET B 82 10.037 1.930 0.911 1.00 0.00 C ATOM 0 H MET B 82 6.368 -1.291 -0.715 1.00 0.00 H new ATOM 0 HA MET B 82 7.679 -0.008 -2.795 1.00 0.00 H new ATOM 0 HB2 MET B 82 8.038 0.268 -0.329 1.00 0.00 H new ATOM 0 HB3 MET B 82 8.822 -1.299 -0.287 1.00 0.00 H new ATOM 0 HG2 MET B 82 10.504 -0.460 -1.956 1.00 0.00 H new ATOM 0 HG3 MET B 82 9.745 1.118 -1.889 1.00 0.00 H new ATOM 0 HE1 MET B 82 10.621 2.395 1.705 1.00 0.00 H new ATOM 0 HE2 MET B 82 9.729 2.691 0.194 1.00 0.00 H new ATOM 0 HE3 MET B 82 9.154 1.457 1.340 1.00 0.00 H new ATOM 2770 N ILE B 83 8.628 -3.165 -2.430 1.00 0.00 N ATOM 2771 CA ILE B 83 9.376 -4.220 -3.091 1.00 0.00 C ATOM 2772 C ILE B 83 8.755 -4.509 -4.460 1.00 0.00 C ATOM 2773 O ILE B 83 9.458 -4.397 -5.463 1.00 0.00 O ATOM 2774 CB ILE B 83 9.526 -5.478 -2.214 1.00 0.00 C ATOM 2775 CG1 ILE B 83 10.302 -5.173 -0.918 1.00 0.00 C ATOM 2776 CG2 ILE B 83 10.292 -6.570 -2.986 1.00 0.00 C ATOM 2777 CD1 ILE B 83 10.129 -6.286 0.121 1.00 0.00 C ATOM 0 H ILE B 83 8.179 -3.445 -1.558 1.00 0.00 H new ATOM 0 HA ILE B 83 10.397 -3.874 -3.252 1.00 0.00 H new ATOM 0 HB ILE B 83 8.522 -5.818 -1.959 1.00 0.00 H new ATOM 0 HG12 ILE B 83 11.360 -5.051 -1.148 1.00 0.00 H new ATOM 0 HG13 ILE B 83 9.955 -4.228 -0.500 1.00 0.00 H new ATOM 0 HG21 ILE B 83 10.394 -7.456 -2.359 1.00 0.00 H new ATOM 0 HG22 ILE B 83 9.743 -6.828 -3.892 1.00 0.00 H new ATOM 0 HG23 ILE B 83 11.282 -6.200 -3.254 1.00 0.00 H new ATOM 0 HD11 ILE B 83 10.691 -6.035 1.021 1.00 0.00 H new ATOM 0 HD12 ILE B 83 9.073 -6.390 0.370 1.00 0.00 H new ATOM 0 HD13 ILE B 83 10.500 -7.226 -0.288 1.00 0.00 H new ATOM 2789 N TYR B 84 7.471 -4.900 -4.530 1.00 0.00 N ATOM 2790 CA TYR B 84 6.931 -5.292 -5.833 1.00 0.00 C ATOM 2791 C TYR B 84 6.740 -4.101 -6.785 1.00 0.00 C ATOM 2792 O TYR B 84 7.006 -4.224 -7.982 1.00 0.00 O ATOM 2793 CB TYR B 84 5.792 -6.332 -5.781 1.00 0.00 C ATOM 2794 CG TYR B 84 4.576 -6.161 -4.883 1.00 0.00 C ATOM 2795 CD1 TYR B 84 3.901 -4.932 -4.790 1.00 0.00 C ATOM 2796 CD2 TYR B 84 3.943 -7.323 -4.396 1.00 0.00 C ATOM 2797 CE1 TYR B 84 2.643 -4.858 -4.163 1.00 0.00 C ATOM 2798 CE2 TYR B 84 2.706 -7.248 -3.739 1.00 0.00 C ATOM 2799 CZ TYR B 84 2.052 -6.012 -3.625 1.00 0.00 C ATOM 2800 OH TYR B 84 0.838 -5.930 -3.012 1.00 0.00 O ATOM 0 H TYR B 84 6.822 -4.951 -3.745 1.00 0.00 H new ATOM 0 HA TYR B 84 7.714 -5.877 -6.316 1.00 0.00 H new ATOM 0 HB2 TYR B 84 5.417 -6.436 -6.799 1.00 0.00 H new ATOM 0 HB3 TYR B 84 6.249 -7.284 -5.511 1.00 0.00 H new ATOM 0 HD1 TYR B 84 4.350 -4.040 -5.202 1.00 0.00 H new ATOM 0 HD2 TYR B 84 4.417 -8.284 -4.531 1.00 0.00 H new ATOM 0 HE1 TYR B 84 2.130 -3.910 -4.096 1.00 0.00 H new ATOM 0 HE2 TYR B 84 2.259 -8.138 -3.322 1.00 0.00 H new ATOM 0 HH TYR B 84 0.570 -6.818 -2.696 1.00 0.00 H new ATOM 2810 N ASN B 85 6.367 -2.917 -6.284 1.00 0.00 N ATOM 2811 CA ASN B 85 6.365 -1.701 -7.096 1.00 0.00 C ATOM 2812 C ASN B 85 7.788 -1.163 -7.148 1.00 0.00 C ATOM 2813 O ASN B 85 8.084 -0.121 -6.562 1.00 0.00 O ATOM 2814 CB ASN B 85 5.407 -0.620 -6.573 1.00 0.00 C ATOM 2815 CG ASN B 85 3.954 -1.065 -6.566 1.00 0.00 C ATOM 2816 OD1 ASN B 85 3.230 -0.882 -7.538 1.00 0.00 O ATOM 2817 ND2 ASN B 85 3.511 -1.631 -5.451 1.00 0.00 N ATOM 0 H ASN B 85 6.063 -2.779 -5.320 1.00 0.00 H new ATOM 0 HA ASN B 85 6.004 -1.961 -8.091 1.00 0.00 H new ATOM 0 HB2 ASN B 85 5.700 -0.342 -5.561 1.00 0.00 H new ATOM 0 HB3 ASN B 85 5.504 0.273 -7.190 1.00 0.00 H new ATOM 0 HD21 ASN B 85 2.538 -1.930 -5.383 1.00 0.00 H new ATOM 0 HD22 ASN B 85 4.143 -1.767 -4.662 1.00 0.00 H new ATOM 2824 N GLU B 86 8.652 -1.861 -7.892 1.00 0.00 N ATOM 2825 CA GLU B 86 10.066 -1.532 -8.062 1.00 0.00 C ATOM 2826 C GLU B 86 10.301 -0.040 -8.297 1.00 0.00 C ATOM 2827 O GLU B 86 11.298 0.512 -7.835 1.00 0.00 O ATOM 2828 CB GLU B 86 10.664 -2.346 -9.212 1.00 0.00 C ATOM 2829 CG GLU B 86 10.652 -3.835 -8.862 1.00 0.00 C ATOM 2830 CD GLU B 86 11.334 -4.666 -9.939 1.00 0.00 C ATOM 2831 OE1 GLU B 86 12.584 -4.663 -9.957 1.00 0.00 O ATOM 2832 OE2 GLU B 86 10.588 -5.281 -10.732 1.00 0.00 O ATOM 0 H GLU B 86 8.375 -2.696 -8.408 1.00 0.00 H new ATOM 0 HA GLU B 86 10.566 -1.791 -7.129 1.00 0.00 H new ATOM 0 HB2 GLU B 86 10.094 -2.174 -10.125 1.00 0.00 H new ATOM 0 HB3 GLU B 86 11.685 -2.018 -9.408 1.00 0.00 H new ATOM 0 HG2 GLU B 86 11.156 -3.990 -7.908 1.00 0.00 H new ATOM 0 HG3 GLU B 86 9.623 -4.172 -8.738 1.00 0.00 H new ATOM 2839 N ALA B 87 9.365 0.607 -8.994 1.00 0.00 N ATOM 2840 CA ALA B 87 9.337 2.043 -9.214 1.00 0.00 C ATOM 2841 C ALA B 87 9.720 2.854 -7.966 1.00 0.00 C ATOM 2842 O ALA B 87 10.457 3.828 -8.066 1.00 0.00 O ATOM 2843 CB ALA B 87 7.942 2.445 -9.703 1.00 0.00 C ATOM 0 H ALA B 87 8.582 0.124 -9.433 1.00 0.00 H new ATOM 0 HA ALA B 87 10.089 2.275 -9.968 1.00 0.00 H new ATOM 0 HB1 ALA B 87 7.912 3.522 -9.871 1.00 0.00 H new ATOM 0 HB2 ALA B 87 7.720 1.926 -10.635 1.00 0.00 H new ATOM 0 HB3 ALA B 87 7.201 2.174 -8.951 1.00 0.00 H new ATOM 2849 N LEU B 88 9.211 2.461 -6.792 1.00 0.00 N ATOM 2850 CA LEU B 88 9.446 3.169 -5.536 1.00 0.00 C ATOM 2851 C LEU B 88 10.875 2.988 -5.013 1.00 0.00 C ATOM 2852 O LEU B 88 11.306 3.762 -4.160 1.00 0.00 O ATOM 2853 CB LEU B 88 8.428 2.711 -4.482 1.00 0.00 C ATOM 2854 CG LEU B 88 6.979 3.109 -4.811 1.00 0.00 C ATOM 2855 CD1 LEU B 88 6.035 2.432 -3.812 1.00 0.00 C ATOM 2856 CD2 LEU B 88 6.766 4.629 -4.732 1.00 0.00 C ATOM 0 H LEU B 88 8.620 1.636 -6.690 1.00 0.00 H new ATOM 0 HA LEU B 88 9.318 4.233 -5.734 1.00 0.00 H new ATOM 0 HB2 LEU B 88 8.484 1.627 -4.382 1.00 0.00 H new ATOM 0 HB3 LEU B 88 8.702 3.135 -3.516 1.00 0.00 H new ATOM 0 HG LEU B 88 6.771 2.788 -5.832 1.00 0.00 H new ATOM 0 HD11 LEU B 88 5.006 2.709 -4.039 1.00 0.00 H new ATOM 0 HD12 LEU B 88 6.144 1.350 -3.885 1.00 0.00 H new ATOM 0 HD13 LEU B 88 6.283 2.754 -2.801 1.00 0.00 H new ATOM 0 HD21 LEU B 88 5.729 4.864 -4.972 1.00 0.00 H new ATOM 0 HD22 LEU B 88 6.993 4.976 -3.724 1.00 0.00 H new ATOM 0 HD23 LEU B 88 7.425 5.126 -5.444 1.00 0.00 H new