USER MOD reduce.3.24.130724 H: found=0, std=0, add=1148, rem=0, adj=30 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+ -138:sc= 0.311 (180deg=-0.0607) USER MOD Set 1.2: B 19 TYR OH : rot 1:sc= 1.23 USER MOD Single : A 3 SER OG : rot -155:sc= 0.803 USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 HIS : no HE2:sc=-0.00518 K(o=-0.0052,f=-3!) USER MOD Single : A 18 LYS NZ :NH3+ -165:sc= 0.857 (180deg=0.695) USER MOD Single : A 19 TYR OH : rot -1:sc= 1.25 USER MOD Single : A 20 SER OG : rot -158:sc= 1.03 USER MOD Single : A 28 THR OG1 : rot -20:sc= 0.393 USER MOD Single : A 30 SER OG : rot -120:sc= 1.8 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ -170:sc=-0.00678 (180deg=-0.146) USER MOD Single : A 35 LYS NZ :NH3+ 167:sc= 0.533 (180deg=0.276) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ -141:sc= -0.0882 (180deg=-0.339) USER MOD Single : A 57 MET CE :methyl 159:sc= -0.033 (180deg=-0.928) USER MOD Single : A 69 ASN : amide:sc= -0.203 K(o=-0.2,f=-8.2!) USER MOD Single : A 71 GLN : amide:sc= -0.315 K(o=-0.31,f=-2.7!) USER MOD Single : A 73 TYR OH : rot 157:sc= 1.04 USER MOD Single : A 75 THR OG1 : rot 66:sc= 1.14 USER MOD Single : A 82 MET CE :methyl -166:sc= -0.0443 (180deg=-0.328) USER MOD Single : A 84 TYR OH : rot 49:sc= 1.25 USER MOD Single : A 85 ASN : amide:sc= 0.917 K(o=0.92,f=-0.065) USER MOD Single : B 3 SER OG : rot 180:sc= 0.166 USER MOD Single : B 7 GLN : amide:sc= 0.525 K(o=0.52,f=0) USER MOD Single : B 17 HIS : no HE2:sc= 0.324 K(o=0.32,f=-3.2!) USER MOD Single : B 20 SER OG : rot 168:sc= 0.851 USER MOD Single : B 27 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 28 THR OG1 : rot 180:sc= 0 USER MOD Single : B 30 SER OG : rot 180:sc= 0 USER MOD Single : B 31 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0727) USER MOD Single : B 32 LYS NZ :NH3+ 159:sc= 0.00282 (180deg=0) USER MOD Single : B 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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+ -142:sc= -0.067 (180deg=-0.295) USER MOD Single : B 57 MET CE :methyl 160:sc= -0.0527 (180deg=-0.729) USER MOD Single : B 63 ASN : amide:sc= 1.57 K(o=1.6,f=-9.3!) USER MOD Single : B 69 ASN : amide:sc= 1.23 K(o=1.2,f=-7.3!) USER MOD Single : B 71 GLN : amide:sc= -0.734 K(o=-0.73,f=-2.6!) USER MOD Single : B 73 TYR OH : rot 160:sc= 0.967 USER MOD Single : B 75 THR OG1 : rot 71:sc= 1.04 USER MOD Single : B 82 MET CE :methyl -169:sc= -0.033 (180deg=-0.223) USER MOD Single : B 84 TYR OH : rot 35:sc= 0.329 USER MOD Single : B 85 ASN : amide:sc= 1.03 K(o=1,f=0) USER MOD ----------------------------------------------------------------- ATOM 20 N ALA A 2 -6.447 -7.264 -8.657 1.00 0.00 N ATOM 21 CA ALA A 2 -6.602 -5.944 -8.065 1.00 0.00 C ATOM 22 C ALA A 2 -7.765 -5.920 -7.069 1.00 0.00 C ATOM 23 O ALA A 2 -8.825 -5.359 -7.341 1.00 0.00 O ATOM 24 CB ALA A 2 -6.731 -4.866 -9.141 1.00 0.00 C ATOM 0 HA ALA A 2 -5.698 -5.716 -7.500 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -6.845 -3.891 -8.667 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -5.836 -4.864 -9.763 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -7.604 -5.073 -9.761 1.00 0.00 H new ATOM 30 N SER A 3 -7.557 -6.527 -5.902 1.00 0.00 N ATOM 31 CA SER A 3 -8.472 -6.490 -4.773 1.00 0.00 C ATOM 32 C SER A 3 -8.679 -5.056 -4.269 1.00 0.00 C ATOM 33 O SER A 3 -7.903 -4.164 -4.617 1.00 0.00 O ATOM 34 CB SER A 3 -7.867 -7.377 -3.679 1.00 0.00 C ATOM 35 OG SER A 3 -6.455 -7.358 -3.753 1.00 0.00 O ATOM 0 H SER A 3 -6.718 -7.075 -5.715 1.00 0.00 H new ATOM 0 HA SER A 3 -9.456 -6.856 -5.067 1.00 0.00 H new ATOM 0 HB2 SER A 3 -8.191 -7.028 -2.699 1.00 0.00 H new ATOM 0 HB3 SER A 3 -8.229 -8.399 -3.789 1.00 0.00 H new ATOM 0 HG SER A 3 -6.095 -8.177 -3.352 1.00 0.00 H new ATOM 41 N PRO A 4 -9.680 -4.821 -3.399 1.00 0.00 N ATOM 42 CA PRO A 4 -9.853 -3.546 -2.717 1.00 0.00 C ATOM 43 C PRO A 4 -8.548 -3.076 -2.071 1.00 0.00 C ATOM 44 O PRO A 4 -8.173 -1.916 -2.232 1.00 0.00 O ATOM 45 CB PRO A 4 -10.979 -3.754 -1.694 1.00 0.00 C ATOM 46 CG PRO A 4 -11.099 -5.273 -1.563 1.00 0.00 C ATOM 47 CD PRO A 4 -10.692 -5.766 -2.949 1.00 0.00 C ATOM 0 HA PRO A 4 -10.121 -2.753 -3.415 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -10.737 -3.291 -0.737 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -11.914 -3.310 -2.036 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -10.443 -5.665 -0.786 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -12.114 -5.578 -1.307 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -10.295 -6.780 -2.907 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -11.545 -5.785 -3.628 1.00 0.00 H new ATOM 55 N LEU A 5 -7.828 -3.972 -1.383 1.00 0.00 N ATOM 56 CA LEU A 5 -6.493 -3.648 -0.896 1.00 0.00 C ATOM 57 C LEU A 5 -5.599 -3.146 -2.023 1.00 0.00 C ATOM 58 O LEU A 5 -5.041 -2.063 -1.909 1.00 0.00 O ATOM 59 CB LEU A 5 -5.795 -4.842 -0.223 1.00 0.00 C ATOM 60 CG LEU A 5 -5.782 -4.848 1.310 1.00 0.00 C ATOM 61 CD1 LEU A 5 -4.699 -5.838 1.763 1.00 0.00 C ATOM 62 CD2 LEU A 5 -5.434 -3.491 1.948 1.00 0.00 C ATOM 0 H LEU A 5 -8.148 -4.914 -1.156 1.00 0.00 H new ATOM 0 HA LEU A 5 -6.639 -2.865 -0.152 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -6.279 -5.757 -0.564 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -4.764 -4.877 -0.574 1.00 0.00 H new ATOM 0 HG LEU A 5 -6.791 -5.111 1.628 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -4.664 -5.866 2.852 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -4.932 -6.832 1.382 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -3.731 -5.520 1.377 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -5.448 -3.585 3.034 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -4.441 -3.180 1.623 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -6.167 -2.745 1.639 1.00 0.00 H new ATOM 74 N ASP A 6 -5.416 -3.937 -3.082 1.00 0.00 N ATOM 75 CA ASP A 6 -4.492 -3.572 -4.146 1.00 0.00 C ATOM 76 C ASP A 6 -4.856 -2.210 -4.739 1.00 0.00 C ATOM 77 O ASP A 6 -3.982 -1.380 -4.968 1.00 0.00 O ATOM 78 CB ASP A 6 -4.464 -4.658 -5.215 1.00 0.00 C ATOM 79 CG ASP A 6 -3.310 -4.429 -6.187 1.00 0.00 C ATOM 80 OD1 ASP A 6 -2.153 -4.671 -5.767 1.00 0.00 O ATOM 81 OD2 ASP A 6 -3.605 -4.012 -7.328 1.00 0.00 O ATOM 0 H ASP A 6 -5.894 -4.827 -3.221 1.00 0.00 H new ATOM 0 HA ASP A 6 -3.490 -3.487 -3.726 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -4.361 -5.636 -4.744 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -5.408 -4.664 -5.759 1.00 0.00 H new ATOM 86 N GLN A 7 -6.152 -1.967 -4.950 1.00 0.00 N ATOM 87 CA GLN A 7 -6.664 -0.689 -5.418 1.00 0.00 C ATOM 88 C GLN A 7 -6.303 0.435 -4.439 1.00 0.00 C ATOM 89 O GLN A 7 -5.787 1.472 -4.844 1.00 0.00 O ATOM 90 CB GLN A 7 -8.181 -0.808 -5.621 1.00 0.00 C ATOM 91 CG GLN A 7 -8.768 0.431 -6.310 1.00 0.00 C ATOM 92 CD GLN A 7 -10.283 0.333 -6.448 1.00 0.00 C ATOM 93 OE1 GLN A 7 -11.016 1.167 -5.930 1.00 0.00 O ATOM 94 NE2 GLN A 7 -10.772 -0.689 -7.146 1.00 0.00 N ATOM 0 H GLN A 7 -6.880 -2.665 -4.797 1.00 0.00 H new ATOM 0 HA GLN A 7 -6.203 -0.432 -6.371 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -8.398 -1.693 -6.220 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -8.666 -0.950 -4.655 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -8.511 1.322 -5.737 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -8.319 0.546 -7.297 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -10.139 -1.369 -7.567 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -11.780 -0.792 -7.260 1.00 0.00 H new ATOM 103 N ALA A 8 -6.589 0.246 -3.150 1.00 0.00 N ATOM 104 CA ALA A 8 -6.372 1.254 -2.120 1.00 0.00 C ATOM 105 C ALA A 8 -4.880 1.566 -1.939 1.00 0.00 C ATOM 106 O ALA A 8 -4.471 2.726 -1.894 1.00 0.00 O ATOM 107 CB ALA A 8 -7.015 0.765 -0.827 1.00 0.00 C ATOM 0 H ALA A 8 -6.983 -0.624 -2.791 1.00 0.00 H new ATOM 0 HA ALA A 8 -6.838 2.193 -2.421 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -6.864 1.506 -0.042 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -8.083 0.617 -0.985 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -6.558 -0.178 -0.528 1.00 0.00 H new ATOM 113 N ILE A 9 -4.055 0.523 -1.868 1.00 0.00 N ATOM 114 CA ILE A 9 -2.604 0.628 -1.910 1.00 0.00 C ATOM 115 C ILE A 9 -2.230 1.424 -3.164 1.00 0.00 C ATOM 116 O ILE A 9 -1.509 2.413 -3.072 1.00 0.00 O ATOM 117 CB ILE A 9 -1.975 -0.781 -1.867 1.00 0.00 C ATOM 118 CG1 ILE A 9 -2.189 -1.417 -0.479 1.00 0.00 C ATOM 119 CG2 ILE A 9 -0.479 -0.731 -2.203 1.00 0.00 C ATOM 120 CD1 ILE A 9 -1.867 -2.916 -0.455 1.00 0.00 C ATOM 0 H ILE A 9 -4.387 -0.437 -1.778 1.00 0.00 H new ATOM 0 HA ILE A 9 -2.211 1.158 -1.042 1.00 0.00 H new ATOM 0 HB ILE A 9 -2.469 -1.395 -2.620 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -1.563 -0.904 0.251 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -3.224 -1.268 -0.172 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -0.064 -1.738 -2.165 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -0.344 -0.321 -3.204 1.00 0.00 H new ATOM 0 HG23 ILE A 9 0.035 -0.099 -1.479 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -2.036 -3.308 0.548 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -2.511 -3.438 -1.163 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -0.824 -3.069 -0.733 1.00 0.00 H new ATOM 132 N GLY A 10 -2.762 1.024 -4.321 1.00 0.00 N ATOM 133 CA GLY A 10 -2.631 1.730 -5.586 1.00 0.00 C ATOM 134 C GLY A 10 -2.911 3.225 -5.439 1.00 0.00 C ATOM 135 O GLY A 10 -2.118 4.043 -5.893 1.00 0.00 O ATOM 0 H GLY A 10 -3.314 0.170 -4.400 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -1.624 1.587 -5.979 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -3.321 1.302 -6.313 1.00 0.00 H new ATOM 139 N LEU A 11 -4.019 3.593 -4.794 1.00 0.00 N ATOM 140 CA LEU A 11 -4.347 4.981 -4.492 1.00 0.00 C ATOM 141 C LEU A 11 -3.228 5.642 -3.680 1.00 0.00 C ATOM 142 O LEU A 11 -2.710 6.674 -4.099 1.00 0.00 O ATOM 143 CB LEU A 11 -5.712 5.070 -3.789 1.00 0.00 C ATOM 144 CG LEU A 11 -6.871 5.213 -4.790 1.00 0.00 C ATOM 145 CD1 LEU A 11 -8.147 4.535 -4.278 1.00 0.00 C ATOM 146 CD2 LEU A 11 -7.168 6.700 -5.013 1.00 0.00 C ATOM 0 H LEU A 11 -4.718 2.927 -4.465 1.00 0.00 H new ATOM 0 HA LEU A 11 -4.428 5.536 -5.427 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -5.866 4.177 -3.183 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -5.714 5.922 -3.109 1.00 0.00 H new ATOM 0 HG LEU A 11 -6.569 4.731 -5.720 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -8.944 4.657 -5.012 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -7.957 3.473 -4.122 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -8.449 4.992 -3.336 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -7.989 6.805 -5.722 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -7.446 7.162 -4.065 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -6.281 7.193 -5.410 1.00 0.00 H new ATOM 158 N LEU A 12 -2.832 5.075 -2.535 1.00 0.00 N ATOM 159 CA LEU A 12 -1.780 5.673 -1.704 1.00 0.00 C ATOM 160 C LEU A 12 -0.473 5.845 -2.493 1.00 0.00 C ATOM 161 O LEU A 12 0.179 6.891 -2.403 1.00 0.00 O ATOM 162 CB LEU A 12 -1.559 4.866 -0.411 1.00 0.00 C ATOM 163 CG LEU A 12 -2.448 5.351 0.749 1.00 0.00 C ATOM 164 CD1 LEU A 12 -3.935 5.211 0.434 1.00 0.00 C ATOM 165 CD2 LEU A 12 -2.154 4.547 2.019 1.00 0.00 C ATOM 0 H LEU A 12 -3.221 4.208 -2.164 1.00 0.00 H new ATOM 0 HA LEU A 12 -2.117 6.668 -1.413 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.763 3.813 -0.605 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.512 4.938 -0.116 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.216 6.406 0.897 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -4.521 5.566 1.282 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -4.177 5.803 -0.448 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -4.170 4.164 0.243 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -2.790 4.902 2.830 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.354 3.491 1.836 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.108 4.675 2.297 1.00 0.00 H new ATOM 177 N ILE A 13 -0.090 4.827 -3.268 1.00 0.00 N ATOM 178 CA ILE A 13 1.058 4.887 -4.168 1.00 0.00 C ATOM 179 C ILE A 13 0.887 6.026 -5.173 1.00 0.00 C ATOM 180 O ILE A 13 1.783 6.849 -5.319 1.00 0.00 O ATOM 181 CB ILE A 13 1.268 3.539 -4.883 1.00 0.00 C ATOM 182 CG1 ILE A 13 1.684 2.468 -3.862 1.00 0.00 C ATOM 183 CG2 ILE A 13 2.331 3.665 -5.990 1.00 0.00 C ATOM 184 CD1 ILE A 13 1.721 1.076 -4.497 1.00 0.00 C ATOM 0 H ILE A 13 -0.575 3.930 -3.286 1.00 0.00 H new ATOM 0 HA ILE A 13 1.951 5.088 -3.576 1.00 0.00 H new ATOM 0 HB ILE A 13 0.329 3.243 -5.350 1.00 0.00 H new ATOM 0 HG12 ILE A 13 2.666 2.711 -3.457 1.00 0.00 H new ATOM 0 HG13 ILE A 13 0.985 2.470 -3.025 1.00 0.00 H new ATOM 0 HG21 ILE A 13 2.462 2.700 -6.480 1.00 0.00 H new ATOM 0 HG22 ILE A 13 2.007 4.404 -6.723 1.00 0.00 H new ATOM 0 HG23 ILE A 13 3.278 3.980 -5.551 1.00 0.00 H new ATOM 0 HD11 ILE A 13 2.019 0.342 -3.748 1.00 0.00 H new ATOM 0 HD12 ILE A 13 0.732 0.824 -4.879 1.00 0.00 H new ATOM 0 HD13 ILE A 13 2.439 1.069 -5.317 1.00 0.00 H new ATOM 196 N GLY A 14 -0.238 6.070 -5.886 1.00 0.00 N ATOM 197 CA GLY A 14 -0.508 7.073 -6.904 1.00 0.00 C ATOM 198 C GLY A 14 -0.397 8.472 -6.311 1.00 0.00 C ATOM 199 O GLY A 14 0.304 9.328 -6.847 1.00 0.00 O ATOM 0 H GLY A 14 -0.996 5.398 -5.767 1.00 0.00 H new ATOM 0 HA2 GLY A 14 0.197 6.963 -7.728 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -1.506 6.923 -7.316 1.00 0.00 H new ATOM 203 N ILE A 15 -1.066 8.685 -5.178 1.00 0.00 N ATOM 204 CA ILE A 15 -0.988 9.922 -4.419 1.00 0.00 C ATOM 205 C ILE A 15 0.473 10.259 -4.123 1.00 0.00 C ATOM 206 O ILE A 15 0.893 11.390 -4.348 1.00 0.00 O ATOM 207 CB ILE A 15 -1.830 9.805 -3.136 1.00 0.00 C ATOM 208 CG1 ILE A 15 -3.340 9.739 -3.446 1.00 0.00 C ATOM 209 CG2 ILE A 15 -1.515 10.969 -2.193 1.00 0.00 C ATOM 210 CD1 ILE A 15 -3.984 11.093 -3.762 1.00 0.00 C ATOM 0 H ILE A 15 -1.685 7.990 -4.760 1.00 0.00 H new ATOM 0 HA ILE A 15 -1.401 10.743 -5.006 1.00 0.00 H new ATOM 0 HB ILE A 15 -1.564 8.870 -2.643 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -3.495 9.071 -4.293 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.854 9.297 -2.593 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -2.116 10.877 -1.288 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -0.457 10.948 -1.930 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.747 11.912 -2.688 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -5.045 10.952 -3.967 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -3.865 11.761 -2.909 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.501 11.531 -4.635 1.00 0.00 H new ATOM 222 N PHE A 16 1.256 9.297 -3.627 1.00 0.00 N ATOM 223 CA PHE A 16 2.673 9.529 -3.384 1.00 0.00 C ATOM 224 C PHE A 16 3.357 9.998 -4.672 1.00 0.00 C ATOM 225 O PHE A 16 3.868 11.116 -4.745 1.00 0.00 O ATOM 226 CB PHE A 16 3.328 8.259 -2.829 1.00 0.00 C ATOM 227 CG PHE A 16 4.740 8.464 -2.329 1.00 0.00 C ATOM 228 CD1 PHE A 16 4.957 9.210 -1.160 1.00 0.00 C ATOM 229 CD2 PHE A 16 5.831 7.884 -3.003 1.00 0.00 C ATOM 230 CE1 PHE A 16 6.249 9.322 -0.626 1.00 0.00 C ATOM 231 CE2 PHE A 16 7.130 8.029 -2.486 1.00 0.00 C ATOM 232 CZ PHE A 16 7.339 8.759 -1.305 1.00 0.00 C ATOM 0 H PHE A 16 0.932 8.360 -3.389 1.00 0.00 H new ATOM 0 HA PHE A 16 2.788 10.316 -2.639 1.00 0.00 H new ATOM 0 HB2 PHE A 16 2.717 7.874 -2.013 1.00 0.00 H new ATOM 0 HB3 PHE A 16 3.336 7.497 -3.608 1.00 0.00 H new ATOM 0 HD1 PHE A 16 4.127 9.699 -0.671 1.00 0.00 H new ATOM 0 HD2 PHE A 16 5.670 7.329 -3.915 1.00 0.00 H new ATOM 0 HE1 PHE A 16 6.404 9.842 0.308 1.00 0.00 H new ATOM 0 HE2 PHE A 16 7.968 7.579 -2.997 1.00 0.00 H new ATOM 0 HZ PHE A 16 8.340 8.887 -0.919 1.00 0.00 H new ATOM 242 N HIS A 17 3.319 9.145 -5.697 1.00 0.00 N ATOM 243 CA HIS A 17 3.962 9.338 -6.987 1.00 0.00 C ATOM 244 C HIS A 17 3.614 10.698 -7.588 1.00 0.00 C ATOM 245 O HIS A 17 4.480 11.334 -8.190 1.00 0.00 O ATOM 246 CB HIS A 17 3.568 8.187 -7.925 1.00 0.00 C ATOM 247 CG HIS A 17 4.366 8.125 -9.206 1.00 0.00 C ATOM 248 ND1 HIS A 17 4.811 9.195 -9.950 1.00 0.00 N ATOM 249 CD2 HIS A 17 4.781 6.984 -9.842 1.00 0.00 C ATOM 250 CE1 HIS A 17 5.484 8.706 -11.006 1.00 0.00 C ATOM 251 NE2 HIS A 17 5.495 7.364 -10.982 1.00 0.00 N ATOM 0 H HIS A 17 2.814 8.261 -5.642 1.00 0.00 H new ATOM 0 HA HIS A 17 5.043 9.328 -6.850 1.00 0.00 H new ATOM 0 HB2 HIS A 17 3.686 7.244 -7.392 1.00 0.00 H new ATOM 0 HB3 HIS A 17 2.511 8.283 -8.174 1.00 0.00 H new ATOM 0 HD1 HIS A 17 4.658 10.181 -9.738 1.00 0.00 H new ATOM 0 HD2 HIS A 17 4.590 5.971 -9.520 1.00 0.00 H new ATOM 0 HE1 HIS A 17 5.952 9.310 -11.769 1.00 0.00 H new ATOM 259 N LYS A 18 2.361 11.138 -7.452 1.00 0.00 N ATOM 260 CA LYS A 18 1.897 12.423 -7.954 1.00 0.00 C ATOM 261 C LYS A 18 2.813 13.568 -7.501 1.00 0.00 C ATOM 262 O LYS A 18 3.028 14.507 -8.266 1.00 0.00 O ATOM 263 CB LYS A 18 0.436 12.621 -7.522 1.00 0.00 C ATOM 264 CG LYS A 18 -0.180 13.939 -8.009 1.00 0.00 C ATOM 265 CD LYS A 18 -1.656 13.996 -7.595 1.00 0.00 C ATOM 266 CE LYS A 18 -2.247 15.377 -7.897 1.00 0.00 C ATOM 267 NZ LYS A 18 -3.640 15.480 -7.430 1.00 0.00 N ATOM 0 H LYS A 18 1.633 10.600 -6.982 1.00 0.00 H new ATOM 0 HA LYS A 18 1.939 12.432 -9.043 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -0.161 11.791 -7.899 1.00 0.00 H new ATOM 0 HB3 LYS A 18 0.380 12.585 -6.434 1.00 0.00 H new ATOM 0 HG2 LYS A 18 0.361 14.785 -7.584 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -0.092 14.016 -9.093 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -2.219 13.229 -8.127 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -1.750 13.779 -6.531 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -1.643 16.146 -7.416 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -2.207 15.565 -8.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -4.091 16.311 -7.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -4.161 14.622 -7.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -3.653 15.580 -6.395 1.00 0.00 H new ATOM 281 N TYR A 19 3.354 13.501 -6.278 1.00 0.00 N ATOM 282 CA TYR A 19 4.204 14.551 -5.724 1.00 0.00 C ATOM 283 C TYR A 19 5.675 14.122 -5.677 1.00 0.00 C ATOM 284 O TYR A 19 6.554 14.943 -5.930 1.00 0.00 O ATOM 285 CB TYR A 19 3.673 14.982 -4.351 1.00 0.00 C ATOM 286 CG TYR A 19 2.314 15.663 -4.404 1.00 0.00 C ATOM 287 CD1 TYR A 19 1.149 14.884 -4.519 1.00 0.00 C ATOM 288 CD2 TYR A 19 2.203 17.067 -4.348 1.00 0.00 C ATOM 289 CE1 TYR A 19 -0.115 15.492 -4.554 1.00 0.00 C ATOM 290 CE2 TYR A 19 0.937 17.677 -4.412 1.00 0.00 C ATOM 291 CZ TYR A 19 -0.222 16.891 -4.515 1.00 0.00 C ATOM 292 OH TYR A 19 -1.443 17.488 -4.599 1.00 0.00 O ATOM 0 H TYR A 19 3.211 12.713 -5.647 1.00 0.00 H new ATOM 0 HA TYR A 19 4.166 15.418 -6.384 1.00 0.00 H new ATOM 0 HB2 TYR A 19 3.605 14.105 -3.707 1.00 0.00 H new ATOM 0 HB3 TYR A 19 4.391 15.661 -3.891 1.00 0.00 H new ATOM 0 HD1 TYR A 19 1.228 13.809 -4.581 1.00 0.00 H new ATOM 0 HD2 TYR A 19 3.091 17.675 -4.256 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -1.006 14.884 -4.611 1.00 0.00 H new ATOM 0 HE2 TYR A 19 0.856 18.754 -4.382 1.00 0.00 H new ATOM 0 HH TYR A 19 -2.137 16.802 -4.691 1.00 0.00 H new ATOM 302 N SER A 20 5.967 12.858 -5.357 1.00 0.00 N ATOM 303 CA SER A 20 7.339 12.377 -5.264 1.00 0.00 C ATOM 304 C SER A 20 7.973 12.208 -6.639 1.00 0.00 C ATOM 305 O SER A 20 9.165 12.476 -6.794 1.00 0.00 O ATOM 306 CB SER A 20 7.416 11.068 -4.469 1.00 0.00 C ATOM 307 OG SER A 20 6.876 9.984 -5.196 1.00 0.00 O ATOM 0 H SER A 20 5.262 12.148 -5.158 1.00 0.00 H new ATOM 0 HA SER A 20 7.908 13.136 -4.728 1.00 0.00 H new ATOM 0 HB2 SER A 20 8.455 10.856 -4.217 1.00 0.00 H new ATOM 0 HB3 SER A 20 6.876 11.181 -3.529 1.00 0.00 H new ATOM 0 HG SER A 20 6.613 9.272 -4.575 1.00 0.00 H new ATOM 415 N THR A 28 11.342 9.393 -2.331 1.00 0.00 N ATOM 416 CA THR A 28 11.304 10.446 -1.321 1.00 0.00 C ATOM 417 C THR A 28 10.479 11.648 -1.783 1.00 0.00 C ATOM 418 O THR A 28 10.320 11.868 -2.981 1.00 0.00 O ATOM 419 CB THR A 28 12.735 10.882 -0.965 1.00 0.00 C ATOM 420 OG1 THR A 28 13.549 10.952 -2.117 1.00 0.00 O ATOM 421 CG2 THR A 28 13.397 9.905 0.007 1.00 0.00 C ATOM 0 HA THR A 28 10.818 10.041 -0.433 1.00 0.00 H new ATOM 0 HB THR A 28 12.646 11.865 -0.502 1.00 0.00 H new ATOM 0 HG1 THR A 28 13.151 10.412 -2.832 1.00 0.00 H new ATOM 0 HG21 THR A 28 14.407 10.247 0.235 1.00 0.00 H new ATOM 0 HG22 THR A 28 12.814 9.856 0.927 1.00 0.00 H new ATOM 0 HG23 THR A 28 13.443 8.915 -0.447 1.00 0.00 H new ATOM 429 N LEU A 29 9.969 12.435 -0.828 1.00 0.00 N ATOM 430 CA LEU A 29 9.372 13.736 -1.105 1.00 0.00 C ATOM 431 C LEU A 29 9.545 14.686 0.079 1.00 0.00 C ATOM 432 O LEU A 29 9.838 14.244 1.190 1.00 0.00 O ATOM 433 CB LEU A 29 7.915 13.646 -1.579 1.00 0.00 C ATOM 434 CG LEU A 29 7.026 12.616 -0.879 1.00 0.00 C ATOM 435 CD1 LEU A 29 7.064 12.736 0.643 1.00 0.00 C ATOM 436 CD2 LEU A 29 5.586 12.815 -1.362 1.00 0.00 C ATOM 0 H LEU A 29 9.961 12.182 0.160 1.00 0.00 H new ATOM 0 HA LEU A 29 9.920 14.159 -1.947 1.00 0.00 H new ATOM 0 HB2 LEU A 29 7.457 14.628 -1.459 1.00 0.00 H new ATOM 0 HB3 LEU A 29 7.918 13.424 -2.646 1.00 0.00 H new ATOM 0 HG LEU A 29 7.402 11.624 -1.131 1.00 0.00 H new ATOM 0 HD11 LEU A 29 6.414 11.980 1.084 1.00 0.00 H new ATOM 0 HD12 LEU A 29 8.085 12.587 0.994 1.00 0.00 H new ATOM 0 HD13 LEU A 29 6.720 13.727 0.939 1.00 0.00 H new ATOM 0 HD21 LEU A 29 4.935 12.089 -0.874 1.00 0.00 H new ATOM 0 HD22 LEU A 29 5.255 13.824 -1.114 1.00 0.00 H new ATOM 0 HD23 LEU A 29 5.542 12.674 -2.442 1.00 0.00 H new ATOM 448 N SER A 30 9.390 15.988 -0.188 1.00 0.00 N ATOM 449 CA SER A 30 9.750 17.066 0.721 1.00 0.00 C ATOM 450 C SER A 30 8.673 17.470 1.727 1.00 0.00 C ATOM 451 O SER A 30 7.487 17.199 1.550 1.00 0.00 O ATOM 452 CB SER A 30 10.137 18.293 -0.110 1.00 0.00 C ATOM 453 OG SER A 30 8.984 18.803 -0.755 1.00 0.00 O ATOM 0 H SER A 30 8.999 16.323 -1.069 1.00 0.00 H new ATOM 0 HA SER A 30 10.575 16.683 1.321 1.00 0.00 H new ATOM 0 HB2 SER A 30 10.577 19.057 0.531 1.00 0.00 H new ATOM 0 HB3 SER A 30 10.892 18.023 -0.849 1.00 0.00 H new ATOM 0 HG SER A 30 9.117 18.785 -1.726 1.00 0.00 H new ATOM 459 N LYS A 31 9.122 18.218 2.741 1.00 0.00 N ATOM 460 CA LYS A 31 8.318 18.973 3.694 1.00 0.00 C ATOM 461 C LYS A 31 7.181 19.688 2.950 1.00 0.00 C ATOM 462 O LYS A 31 6.002 19.537 3.271 1.00 0.00 O ATOM 463 CB LYS A 31 9.276 19.983 4.357 1.00 0.00 C ATOM 464 CG LYS A 31 8.689 20.799 5.518 1.00 0.00 C ATOM 465 CD LYS A 31 9.567 22.020 5.851 1.00 0.00 C ATOM 466 CE LYS A 31 11.011 21.679 6.255 1.00 0.00 C ATOM 467 NZ LYS A 31 11.078 20.998 7.560 1.00 0.00 N ATOM 0 H LYS A 31 10.121 18.315 2.925 1.00 0.00 H new ATOM 0 HA LYS A 31 7.859 18.332 4.447 1.00 0.00 H new ATOM 0 HB2 LYS A 31 10.148 19.441 4.723 1.00 0.00 H new ATOM 0 HB3 LYS A 31 9.629 20.676 3.593 1.00 0.00 H new ATOM 0 HG2 LYS A 31 7.684 21.132 5.258 1.00 0.00 H new ATOM 0 HG3 LYS A 31 8.597 20.165 6.400 1.00 0.00 H new ATOM 0 HD2 LYS A 31 9.592 22.680 4.984 1.00 0.00 H new ATOM 0 HD3 LYS A 31 9.099 22.577 6.662 1.00 0.00 H new ATOM 0 HE2 LYS A 31 11.459 21.043 5.492 1.00 0.00 H new ATOM 0 HE3 LYS A 31 11.601 22.594 6.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 12.070 20.788 7.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 10.674 21.614 8.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 10.537 20.111 7.517 1.00 0.00 H new ATOM 481 N LYS A 32 7.555 20.465 1.928 1.00 0.00 N ATOM 482 CA LYS A 32 6.634 21.208 1.095 1.00 0.00 C ATOM 483 C LYS A 32 5.635 20.251 0.448 1.00 0.00 C ATOM 484 O LYS A 32 4.428 20.442 0.580 1.00 0.00 O ATOM 485 CB LYS A 32 7.461 21.983 0.064 1.00 0.00 C ATOM 486 CG LYS A 32 6.602 22.804 -0.903 1.00 0.00 C ATOM 487 CD LYS A 32 7.475 23.369 -2.030 1.00 0.00 C ATOM 488 CE LYS A 32 8.480 24.435 -1.577 1.00 0.00 C ATOM 489 NZ LYS A 32 7.819 25.583 -0.930 1.00 0.00 N ATOM 0 H LYS A 32 8.531 20.590 1.660 1.00 0.00 H new ATOM 0 HA LYS A 32 6.049 21.919 1.679 1.00 0.00 H new ATOM 0 HB2 LYS A 32 8.148 22.650 0.585 1.00 0.00 H new ATOM 0 HB3 LYS A 32 8.069 21.281 -0.506 1.00 0.00 H new ATOM 0 HG2 LYS A 32 5.813 22.179 -1.322 1.00 0.00 H new ATOM 0 HG3 LYS A 32 6.114 23.618 -0.367 1.00 0.00 H new ATOM 0 HD2 LYS A 32 8.020 22.549 -2.498 1.00 0.00 H new ATOM 0 HD3 LYS A 32 6.828 23.799 -2.794 1.00 0.00 H new ATOM 0 HE2 LYS A 32 9.192 23.989 -0.883 1.00 0.00 H new ATOM 0 HE3 LYS A 32 9.050 24.784 -2.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 8.509 26.349 -0.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 7.041 25.921 -1.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 7.440 25.290 -0.007 1.00 0.00 H new ATOM 503 N GLU A 33 6.125 19.221 -0.247 1.00 0.00 N ATOM 504 CA GLU A 33 5.248 18.290 -0.942 1.00 0.00 C ATOM 505 C GLU A 33 4.289 17.584 0.024 1.00 0.00 C ATOM 506 O GLU A 33 3.150 17.327 -0.353 1.00 0.00 O ATOM 507 CB GLU A 33 6.056 17.314 -1.806 1.00 0.00 C ATOM 508 CG GLU A 33 6.300 17.874 -3.220 1.00 0.00 C ATOM 509 CD GLU A 33 7.088 19.182 -3.236 1.00 0.00 C ATOM 510 OE1 GLU A 33 6.434 20.244 -3.163 1.00 0.00 O ATOM 511 OE2 GLU A 33 8.332 19.101 -3.324 1.00 0.00 O ATOM 0 H GLU A 33 7.120 19.016 -0.340 1.00 0.00 H new ATOM 0 HA GLU A 33 4.618 18.862 -1.623 1.00 0.00 H new ATOM 0 HB2 GLU A 33 7.013 17.109 -1.326 1.00 0.00 H new ATOM 0 HB3 GLU A 33 5.525 16.365 -1.877 1.00 0.00 H new ATOM 0 HG2 GLU A 33 6.837 17.130 -3.808 1.00 0.00 H new ATOM 0 HG3 GLU A 33 5.339 18.033 -3.709 1.00 0.00 H new ATOM 518 N LEU A 34 4.704 17.292 1.259 1.00 0.00 N ATOM 519 CA LEU A 34 3.818 16.738 2.280 1.00 0.00 C ATOM 520 C LEU A 34 2.728 17.737 2.673 1.00 0.00 C ATOM 521 O LEU A 34 1.542 17.401 2.674 1.00 0.00 O ATOM 522 CB LEU A 34 4.614 16.337 3.521 1.00 0.00 C ATOM 523 CG LEU A 34 5.517 15.121 3.285 1.00 0.00 C ATOM 524 CD1 LEU A 34 6.572 15.092 4.389 1.00 0.00 C ATOM 525 CD2 LEU A 34 4.725 13.807 3.290 1.00 0.00 C ATOM 0 H LEU A 34 5.663 17.434 1.577 1.00 0.00 H new ATOM 0 HA LEU A 34 3.342 15.854 1.855 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.226 17.180 3.842 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.922 16.117 4.334 1.00 0.00 H new ATOM 0 HG LEU A 34 5.980 15.213 2.302 1.00 0.00 H new ATOM 0 HD11 LEU A 34 7.228 14.234 4.243 1.00 0.00 H new ATOM 0 HD12 LEU A 34 7.160 16.009 4.354 1.00 0.00 H new ATOM 0 HD13 LEU A 34 6.081 15.012 5.359 1.00 0.00 H new ATOM 0 HD21 LEU A 34 5.404 12.972 3.119 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.233 13.683 4.254 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.975 13.832 2.500 1.00 0.00 H new ATOM 537 N LYS A 35 3.125 18.963 3.039 1.00 0.00 N ATOM 538 CA LYS A 35 2.165 19.986 3.444 1.00 0.00 C ATOM 539 C LYS A 35 1.191 20.288 2.301 1.00 0.00 C ATOM 540 O LYS A 35 0.004 20.506 2.545 1.00 0.00 O ATOM 541 CB LYS A 35 2.875 21.235 3.980 1.00 0.00 C ATOM 542 CG LYS A 35 3.597 20.891 5.291 1.00 0.00 C ATOM 543 CD LYS A 35 4.344 22.080 5.913 1.00 0.00 C ATOM 544 CE LYS A 35 3.421 23.191 6.431 1.00 0.00 C ATOM 545 NZ LYS A 35 2.441 22.689 7.412 1.00 0.00 N ATOM 0 H LYS A 35 4.099 19.265 3.061 1.00 0.00 H new ATOM 0 HA LYS A 35 1.569 19.604 4.273 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.590 21.604 3.245 1.00 0.00 H new ATOM 0 HB3 LYS A 35 2.152 22.033 4.149 1.00 0.00 H new ATOM 0 HG2 LYS A 35 2.868 20.515 6.009 1.00 0.00 H new ATOM 0 HG3 LYS A 35 4.306 20.085 5.104 1.00 0.00 H new ATOM 0 HD2 LYS A 35 4.960 21.719 6.737 1.00 0.00 H new ATOM 0 HD3 LYS A 35 5.021 22.501 5.169 1.00 0.00 H new ATOM 0 HE2 LYS A 35 4.022 23.976 6.890 1.00 0.00 H new ATOM 0 HE3 LYS A 35 2.893 23.643 5.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 1.991 23.492 7.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 1.715 22.129 6.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 2.925 22.091 8.112 1.00 0.00 H new ATOM 559 N GLU A 36 1.674 20.258 1.056 1.00 0.00 N ATOM 560 CA GLU A 36 0.800 20.282 -0.104 1.00 0.00 C ATOM 561 C GLU A 36 -0.116 19.060 -0.044 1.00 0.00 C ATOM 562 O GLU A 36 -1.309 19.234 0.164 1.00 0.00 O ATOM 563 CB GLU A 36 1.603 20.322 -1.408 1.00 0.00 C ATOM 564 CG GLU A 36 2.236 21.700 -1.638 1.00 0.00 C ATOM 565 CD GLU A 36 3.167 21.719 -2.850 1.00 0.00 C ATOM 566 OE1 GLU A 36 3.156 20.723 -3.606 1.00 0.00 O ATOM 567 OE2 GLU A 36 3.868 22.743 -3.001 1.00 0.00 O ATOM 0 H GLU A 36 2.668 20.217 0.833 1.00 0.00 H new ATOM 0 HA GLU A 36 0.196 21.189 -0.089 1.00 0.00 H new ATOM 0 HB2 GLU A 36 2.384 19.562 -1.379 1.00 0.00 H new ATOM 0 HB3 GLU A 36 0.950 20.076 -2.246 1.00 0.00 H new ATOM 0 HG2 GLU A 36 1.448 22.440 -1.777 1.00 0.00 H new ATOM 0 HG3 GLU A 36 2.795 21.993 -0.749 1.00 0.00 H new ATOM 574 N LEU A 37 0.423 17.848 -0.221 1.00 0.00 N ATOM 575 CA LEU A 37 -0.305 16.578 -0.238 1.00 0.00 C ATOM 576 C LEU A 37 -1.514 16.590 0.688 1.00 0.00 C ATOM 577 O LEU A 37 -2.643 16.416 0.234 1.00 0.00 O ATOM 578 CB LEU A 37 0.619 15.420 0.181 1.00 0.00 C ATOM 579 CG LEU A 37 1.228 14.665 -1.002 1.00 0.00 C ATOM 580 CD1 LEU A 37 2.418 13.831 -0.525 1.00 0.00 C ATOM 581 CD2 LEU A 37 0.182 13.721 -1.598 1.00 0.00 C ATOM 0 H LEU A 37 1.425 17.722 -0.363 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.653 16.437 -1.261 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.423 15.814 0.803 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.054 14.720 0.796 1.00 0.00 H new ATOM 0 HG LEU A 37 1.555 15.386 -1.751 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.849 13.295 -1.371 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.171 14.488 -0.090 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.083 13.115 0.226 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.616 13.183 -2.441 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.139 13.008 -0.839 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.677 14.299 -1.940 1.00 0.00 H new ATOM 593 N ILE A 38 -1.275 16.774 1.988 1.00 0.00 N ATOM 594 CA ILE A 38 -2.344 16.692 2.969 1.00 0.00 C ATOM 595 C ILE A 38 -3.457 17.693 2.630 1.00 0.00 C ATOM 596 O ILE A 38 -4.613 17.305 2.486 1.00 0.00 O ATOM 597 CB ILE A 38 -1.763 16.793 4.394 1.00 0.00 C ATOM 598 CG1 ILE A 38 -2.806 16.429 5.462 1.00 0.00 C ATOM 599 CG2 ILE A 38 -1.151 18.164 4.694 1.00 0.00 C ATOM 600 CD1 ILE A 38 -2.144 16.173 6.820 1.00 0.00 C ATOM 0 H ILE A 38 -0.355 16.979 2.378 1.00 0.00 H new ATOM 0 HA ILE A 38 -2.831 15.718 2.934 1.00 0.00 H new ATOM 0 HB ILE A 38 -0.955 16.062 4.435 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -3.532 17.237 5.555 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -3.356 15.541 5.149 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -0.759 18.173 5.711 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -0.342 18.363 3.992 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -1.916 18.934 4.593 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -2.908 15.918 7.555 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -1.437 15.348 6.730 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -1.616 17.070 7.142 1.00 0.00 H new ATOM 612 N GLN A 39 -3.110 18.967 2.430 1.00 0.00 N ATOM 613 CA GLN A 39 -4.081 20.016 2.147 1.00 0.00 C ATOM 614 C GLN A 39 -4.797 19.779 0.810 1.00 0.00 C ATOM 615 O GLN A 39 -6.010 19.950 0.712 1.00 0.00 O ATOM 616 CB GLN A 39 -3.352 21.366 2.176 1.00 0.00 C ATOM 617 CG GLN A 39 -4.319 22.547 2.030 1.00 0.00 C ATOM 618 CD GLN A 39 -3.604 23.880 2.221 1.00 0.00 C ATOM 619 OE1 GLN A 39 -3.942 24.652 3.112 1.00 0.00 O ATOM 620 NE2 GLN A 39 -2.604 24.165 1.392 1.00 0.00 N ATOM 0 H GLN A 39 -2.145 19.296 2.461 1.00 0.00 H new ATOM 0 HA GLN A 39 -4.862 20.010 2.908 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -2.803 21.461 3.113 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -2.617 21.398 1.372 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -4.783 22.519 1.044 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -5.121 22.455 2.762 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -2.344 23.504 0.660 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -2.097 25.045 1.488 1.00 0.00 H new ATOM 629 N LYS A 40 -4.035 19.426 -0.226 1.00 0.00 N ATOM 630 CA LYS A 40 -4.513 19.247 -1.587 1.00 0.00 C ATOM 631 C LYS A 40 -5.496 18.080 -1.652 1.00 0.00 C ATOM 632 O LYS A 40 -6.573 18.193 -2.232 1.00 0.00 O ATOM 633 CB LYS A 40 -3.333 18.936 -2.525 1.00 0.00 C ATOM 634 CG LYS A 40 -2.203 19.977 -2.589 1.00 0.00 C ATOM 635 CD LYS A 40 -2.230 20.858 -3.841 1.00 0.00 C ATOM 636 CE LYS A 40 -3.272 21.966 -3.691 1.00 0.00 C ATOM 637 NZ LYS A 40 -3.314 22.832 -4.882 1.00 0.00 N ATOM 0 H LYS A 40 -3.034 19.252 -0.132 1.00 0.00 H new ATOM 0 HA LYS A 40 -5.007 20.168 -1.898 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.900 17.983 -2.221 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -3.727 18.800 -3.532 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -2.263 20.616 -1.708 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -1.245 19.460 -2.543 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -1.246 21.296 -4.006 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -2.460 20.250 -4.716 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -4.254 21.523 -3.527 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -3.042 22.567 -2.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -4.031 23.573 -4.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -2.383 23.273 -5.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -3.558 22.262 -5.717 1.00 0.00 H new ATOM 651 N GLU A 41 -5.075 16.935 -1.112 1.00 0.00 N ATOM 652 CA GLU A 41 -5.764 15.668 -1.282 1.00 0.00 C ATOM 653 C GLU A 41 -6.800 15.439 -0.181 1.00 0.00 C ATOM 654 O GLU A 41 -7.927 15.044 -0.482 1.00 0.00 O ATOM 655 CB GLU A 41 -4.740 14.528 -1.329 1.00 0.00 C ATOM 656 CG GLU A 41 -3.632 14.724 -2.377 1.00 0.00 C ATOM 657 CD GLU A 41 -4.146 14.896 -3.802 1.00 0.00 C ATOM 658 OE1 GLU A 41 -5.090 14.164 -4.167 1.00 0.00 O ATOM 659 OE2 GLU A 41 -3.561 15.745 -4.513 1.00 0.00 O ATOM 0 H GLU A 41 -4.234 16.868 -0.538 1.00 0.00 H new ATOM 0 HA GLU A 41 -6.308 15.692 -2.226 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -4.281 14.425 -0.346 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -5.261 13.594 -1.537 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -3.042 15.600 -2.107 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.961 13.866 -2.345 1.00 0.00 H new ATOM 666 N LEU A 42 -6.448 15.646 1.094 1.00 0.00 N ATOM 667 CA LEU A 42 -7.382 15.398 2.189 1.00 0.00 C ATOM 668 C LEU A 42 -8.300 16.597 2.385 1.00 0.00 C ATOM 669 O LEU A 42 -8.338 17.211 3.451 1.00 0.00 O ATOM 670 CB LEU A 42 -6.664 14.970 3.480 1.00 0.00 C ATOM 671 CG LEU A 42 -6.146 13.529 3.375 1.00 0.00 C ATOM 672 CD1 LEU A 42 -4.963 13.301 4.313 1.00 0.00 C ATOM 673 CD2 LEU A 42 -7.264 12.549 3.734 1.00 0.00 C ATOM 0 H LEU A 42 -5.530 15.982 1.387 1.00 0.00 H new ATOM 0 HA LEU A 42 -8.011 14.550 1.916 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -5.831 15.645 3.677 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -7.348 15.053 4.324 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.818 13.363 2.349 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.616 12.272 4.218 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -4.154 13.982 4.050 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -5.273 13.486 5.341 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -6.891 11.528 3.658 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -7.600 12.738 4.754 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -8.099 12.682 3.047 1.00 0.00 H new ATOM 794 N ASP A 50 -8.096 16.980 15.237 1.00 0.00 N ATOM 795 CA ASP A 50 -6.698 17.230 15.589 1.00 0.00 C ATOM 796 C ASP A 50 -5.650 16.603 14.667 1.00 0.00 C ATOM 797 O ASP A 50 -4.708 17.283 14.270 1.00 0.00 O ATOM 798 CB ASP A 50 -6.498 16.749 17.028 1.00 0.00 C ATOM 799 CG ASP A 50 -5.065 16.926 17.506 1.00 0.00 C ATOM 800 OD1 ASP A 50 -4.721 18.075 17.854 1.00 0.00 O ATOM 801 OD2 ASP A 50 -4.349 15.902 17.520 1.00 0.00 O ATOM 0 HA ASP A 50 -6.531 18.301 15.473 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -7.169 17.299 17.688 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -6.774 15.697 17.098 1.00 0.00 H new ATOM 806 N ALA A 51 -5.792 15.316 14.353 1.00 0.00 N ATOM 807 CA ALA A 51 -4.894 14.547 13.503 1.00 0.00 C ATOM 808 C ALA A 51 -4.259 15.375 12.384 1.00 0.00 C ATOM 809 O ALA A 51 -3.036 15.467 12.296 1.00 0.00 O ATOM 810 CB ALA A 51 -5.684 13.384 12.908 1.00 0.00 C ATOM 0 H ALA A 51 -6.572 14.759 14.702 1.00 0.00 H new ATOM 0 HA ALA A 51 -4.068 14.194 14.120 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -5.032 12.792 12.266 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -6.069 12.757 13.712 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -6.516 13.772 12.321 1.00 0.00 H new ATOM 816 N GLU A 52 -5.088 15.968 11.519 1.00 0.00 N ATOM 817 CA GLU A 52 -4.603 16.672 10.337 1.00 0.00 C ATOM 818 C GLU A 52 -3.779 17.900 10.736 1.00 0.00 C ATOM 819 O GLU A 52 -2.778 18.232 10.100 1.00 0.00 O ATOM 820 CB GLU A 52 -5.787 17.034 9.426 1.00 0.00 C ATOM 821 CG GLU A 52 -5.332 17.274 7.978 1.00 0.00 C ATOM 822 CD GLU A 52 -6.429 17.863 7.097 1.00 0.00 C ATOM 823 OE1 GLU A 52 -7.612 17.609 7.410 1.00 0.00 O ATOM 824 OE2 GLU A 52 -6.063 18.575 6.138 1.00 0.00 O ATOM 0 H GLU A 52 -6.103 15.972 11.620 1.00 0.00 H new ATOM 0 HA GLU A 52 -3.937 16.018 9.773 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -6.523 16.231 9.448 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -6.280 17.929 9.807 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -4.475 17.947 7.980 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -4.996 16.331 7.548 1.00 0.00 H new ATOM 831 N ILE A 53 -4.208 18.565 11.808 1.00 0.00 N ATOM 832 CA ILE A 53 -3.595 19.771 12.323 1.00 0.00 C ATOM 833 C ILE A 53 -2.200 19.375 12.810 1.00 0.00 C ATOM 834 O ILE A 53 -1.193 19.941 12.385 1.00 0.00 O ATOM 835 CB ILE A 53 -4.462 20.375 13.455 1.00 0.00 C ATOM 836 CG1 ILE A 53 -5.937 20.685 13.108 1.00 0.00 C ATOM 837 CG2 ILE A 53 -3.819 21.680 13.944 1.00 0.00 C ATOM 838 CD1 ILE A 53 -6.799 19.536 12.564 1.00 0.00 C ATOM 0 H ILE A 53 -5.016 18.264 12.352 1.00 0.00 H new ATOM 0 HA ILE A 53 -3.516 20.544 11.559 1.00 0.00 H new ATOM 0 HB ILE A 53 -4.492 19.590 14.211 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -6.419 21.070 14.007 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -5.947 21.489 12.372 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -4.426 22.109 14.741 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.818 21.473 14.322 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -3.755 22.387 13.117 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -7.807 19.900 12.366 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -6.361 19.159 11.640 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -6.841 18.733 13.300 1.00 0.00 H new ATOM 850 N VAL A 54 -2.144 18.365 13.680 1.00 0.00 N ATOM 851 CA VAL A 54 -0.895 17.855 14.217 1.00 0.00 C ATOM 852 C VAL A 54 0.020 17.394 13.090 1.00 0.00 C ATOM 853 O VAL A 54 1.200 17.714 13.125 1.00 0.00 O ATOM 854 CB VAL A 54 -1.153 16.769 15.272 1.00 0.00 C ATOM 855 CG1 VAL A 54 0.143 16.075 15.719 1.00 0.00 C ATOM 856 CG2 VAL A 54 -1.782 17.437 16.496 1.00 0.00 C ATOM 0 H VAL A 54 -2.971 17.880 14.029 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.373 18.660 14.734 1.00 0.00 H new ATOM 0 HB VAL A 54 -1.806 16.016 14.832 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -0.090 15.315 16.465 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.619 15.605 14.859 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.820 16.812 16.151 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -1.975 16.685 17.261 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.099 18.190 16.891 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -2.720 17.913 16.209 1.00 0.00 H new ATOM 866 N LYS A 55 -0.489 16.677 12.084 1.00 0.00 N ATOM 867 CA LYS A 55 0.315 16.315 10.920 1.00 0.00 C ATOM 868 C LYS A 55 0.929 17.565 10.284 1.00 0.00 C ATOM 869 O LYS A 55 2.146 17.628 10.106 1.00 0.00 O ATOM 870 CB LYS A 55 -0.520 15.515 9.912 1.00 0.00 C ATOM 871 CG LYS A 55 -0.186 14.018 9.876 1.00 0.00 C ATOM 872 CD LYS A 55 -0.565 13.211 11.128 1.00 0.00 C ATOM 873 CE LYS A 55 0.380 13.327 12.331 1.00 0.00 C ATOM 874 NZ LYS A 55 1.783 13.058 11.968 1.00 0.00 N ATOM 0 H LYS A 55 -1.451 16.338 12.055 1.00 0.00 H new ATOM 0 HA LYS A 55 1.134 15.674 11.245 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -1.576 15.636 10.153 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -0.370 15.935 8.917 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -0.689 13.575 9.017 1.00 0.00 H new ATOM 0 HG3 LYS A 55 0.886 13.909 9.709 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -1.560 13.522 11.445 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -0.633 12.160 10.848 1.00 0.00 H new ATOM 0 HE2 LYS A 55 0.302 14.328 12.756 1.00 0.00 H new ATOM 0 HE3 LYS A 55 0.067 12.627 13.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 2.240 12.515 12.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 1.814 12.510 11.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 2.286 13.959 11.835 1.00 0.00 H new ATOM 888 N LEU A 56 0.098 18.560 9.957 1.00 0.00 N ATOM 889 CA LEU A 56 0.576 19.809 9.372 1.00 0.00 C ATOM 890 C LEU A 56 1.687 20.434 10.220 1.00 0.00 C ATOM 891 O LEU A 56 2.682 20.890 9.660 1.00 0.00 O ATOM 892 CB LEU A 56 -0.584 20.794 9.157 1.00 0.00 C ATOM 893 CG LEU A 56 -1.395 20.495 7.887 1.00 0.00 C ATOM 894 CD1 LEU A 56 -2.768 21.167 7.980 1.00 0.00 C ATOM 895 CD2 LEU A 56 -0.671 21.021 6.639 1.00 0.00 C ATOM 0 H LEU A 56 -0.913 18.520 10.090 1.00 0.00 H new ATOM 0 HA LEU A 56 1.003 19.577 8.396 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.247 20.761 10.022 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.187 21.808 9.098 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.509 19.414 7.804 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -3.340 20.952 7.077 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -3.303 20.783 8.848 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -2.640 22.245 8.081 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.265 20.797 5.753 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.537 22.099 6.723 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.303 20.540 6.554 1.00 0.00 H new ATOM 907 N MET A 57 1.532 20.472 11.551 1.00 0.00 N ATOM 908 CA MET A 57 2.580 21.009 12.413 1.00 0.00 C ATOM 909 C MET A 57 3.812 20.090 12.355 1.00 0.00 C ATOM 910 O MET A 57 4.870 20.471 11.856 1.00 0.00 O ATOM 911 CB MET A 57 2.098 21.175 13.866 1.00 0.00 C ATOM 912 CG MET A 57 0.843 22.027 14.113 1.00 0.00 C ATOM 913 SD MET A 57 0.703 23.669 13.357 1.00 0.00 S ATOM 914 CE MET A 57 -0.203 23.291 11.838 1.00 0.00 C ATOM 0 H MET A 57 0.702 20.141 12.043 1.00 0.00 H new ATOM 0 HA MET A 57 2.846 22.001 12.048 1.00 0.00 H new ATOM 0 HB2 MET A 57 1.913 20.181 14.273 1.00 0.00 H new ATOM 0 HB3 MET A 57 2.915 21.608 14.442 1.00 0.00 H new ATOM 0 HG2 MET A 57 -0.016 21.443 13.783 1.00 0.00 H new ATOM 0 HG3 MET A 57 0.745 22.156 15.191 1.00 0.00 H new ATOM 0 HE1 MET A 57 -0.682 24.196 11.465 1.00 0.00 H new ATOM 0 HE2 MET A 57 0.489 22.910 11.087 1.00 0.00 H new ATOM 0 HE3 MET A 57 -0.963 22.538 12.046 1.00 0.00 H new ATOM 924 N ASP A 58 3.643 18.865 12.869 1.00 0.00 N ATOM 925 CA ASP A 58 4.641 17.809 13.012 1.00 0.00 C ATOM 926 C ASP A 58 5.547 17.726 11.796 1.00 0.00 C ATOM 927 O ASP A 58 6.756 17.581 11.948 1.00 0.00 O ATOM 928 CB ASP A 58 3.945 16.456 13.229 1.00 0.00 C ATOM 929 CG ASP A 58 4.933 15.290 13.271 1.00 0.00 C ATOM 930 OD1 ASP A 58 5.910 15.396 14.044 1.00 0.00 O ATOM 931 OD2 ASP A 58 4.690 14.307 12.535 1.00 0.00 O ATOM 0 H ASP A 58 2.733 18.568 13.221 1.00 0.00 H new ATOM 0 HA ASP A 58 5.258 18.051 13.877 1.00 0.00 H new ATOM 0 HB2 ASP A 58 3.383 16.486 14.162 1.00 0.00 H new ATOM 0 HB3 ASP A 58 3.225 16.289 12.428 1.00 0.00 H new ATOM 936 N ASP A 59 4.965 17.829 10.598 1.00 0.00 N ATOM 937 CA ASP A 59 5.692 17.811 9.341 1.00 0.00 C ATOM 938 C ASP A 59 7.013 18.581 9.411 1.00 0.00 C ATOM 939 O ASP A 59 8.040 18.062 8.973 1.00 0.00 O ATOM 940 CB ASP A 59 4.822 18.410 8.237 1.00 0.00 C ATOM 941 CG ASP A 59 5.541 18.277 6.906 1.00 0.00 C ATOM 942 OD1 ASP A 59 5.442 17.174 6.332 1.00 0.00 O ATOM 943 OD2 ASP A 59 6.204 19.260 6.513 1.00 0.00 O ATOM 0 H ASP A 59 3.957 17.929 10.480 1.00 0.00 H new ATOM 0 HA ASP A 59 5.930 16.769 9.124 1.00 0.00 H new ATOM 0 HB2 ASP A 59 3.861 17.898 8.197 1.00 0.00 H new ATOM 0 HB3 ASP A 59 4.616 19.459 8.449 1.00 0.00 H new ATOM 948 N LEU A 60 7.000 19.804 9.952 1.00 0.00 N ATOM 949 CA LEU A 60 8.202 20.630 9.978 1.00 0.00 C ATOM 950 C LEU A 60 9.296 19.997 10.843 1.00 0.00 C ATOM 951 O LEU A 60 10.475 20.067 10.503 1.00 0.00 O ATOM 952 CB LEU A 60 7.868 22.080 10.368 1.00 0.00 C ATOM 953 CG LEU A 60 7.538 22.307 11.854 1.00 0.00 C ATOM 954 CD1 LEU A 60 8.776 22.745 12.650 1.00 0.00 C ATOM 955 CD2 LEU A 60 6.467 23.394 11.990 1.00 0.00 C ATOM 0 H LEU A 60 6.177 20.236 10.373 1.00 0.00 H new ATOM 0 HA LEU A 60 8.614 20.677 8.970 1.00 0.00 H new ATOM 0 HB2 LEU A 60 8.714 22.714 10.101 1.00 0.00 H new ATOM 0 HB3 LEU A 60 7.019 22.412 9.770 1.00 0.00 H new ATOM 0 HG LEU A 60 7.178 21.359 12.255 1.00 0.00 H new ATOM 0 HD11 LEU A 60 8.503 22.895 13.694 1.00 0.00 H new ATOM 0 HD12 LEU A 60 9.543 21.974 12.583 1.00 0.00 H new ATOM 0 HD13 LEU A 60 9.162 23.677 12.238 1.00 0.00 H new ATOM 0 HD21 LEU A 60 6.238 23.550 13.044 1.00 0.00 H new ATOM 0 HD22 LEU A 60 6.836 24.324 11.558 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.564 23.083 11.465 1.00 0.00 H new ATOM 967 N ASP A 61 8.903 19.366 11.954 1.00 0.00 N ATOM 968 CA ASP A 61 9.819 18.744 12.901 1.00 0.00 C ATOM 969 C ASP A 61 10.281 17.393 12.372 1.00 0.00 C ATOM 970 O ASP A 61 11.430 17.007 12.566 1.00 0.00 O ATOM 971 CB ASP A 61 9.133 18.573 14.262 1.00 0.00 C ATOM 972 CG ASP A 61 8.750 19.914 14.874 1.00 0.00 C ATOM 973 OD1 ASP A 61 9.671 20.585 15.388 1.00 0.00 O ATOM 974 OD2 ASP A 61 7.545 20.245 14.810 1.00 0.00 O ATOM 0 H ASP A 61 7.923 19.274 12.220 1.00 0.00 H new ATOM 0 HA ASP A 61 10.689 19.388 13.025 1.00 0.00 H new ATOM 0 HB2 ASP A 61 8.240 17.959 14.145 1.00 0.00 H new ATOM 0 HB3 ASP A 61 9.799 18.041 14.941 1.00 0.00 H new ATOM 979 N ARG A 62 9.382 16.666 11.709 1.00 0.00 N ATOM 980 CA ARG A 62 9.703 15.417 11.048 1.00 0.00 C ATOM 981 C ARG A 62 10.755 15.684 9.972 1.00 0.00 C ATOM 982 O ARG A 62 11.810 15.052 9.947 1.00 0.00 O ATOM 983 CB ARG A 62 8.411 14.817 10.475 1.00 0.00 C ATOM 984 CG ARG A 62 8.646 13.433 9.856 1.00 0.00 C ATOM 985 CD ARG A 62 7.355 12.809 9.314 1.00 0.00 C ATOM 986 NE ARG A 62 6.351 12.641 10.377 1.00 0.00 N ATOM 987 CZ ARG A 62 5.552 11.583 10.578 1.00 0.00 C ATOM 988 NH1 ARG A 62 5.576 10.517 9.770 1.00 0.00 N ATOM 989 NH2 ARG A 62 4.699 11.624 11.605 1.00 0.00 N ATOM 0 H ARG A 62 8.403 16.937 11.619 1.00 0.00 H new ATOM 0 HA ARG A 62 10.123 14.692 11.745 1.00 0.00 H new ATOM 0 HB2 ARG A 62 7.666 14.739 11.266 1.00 0.00 H new ATOM 0 HB3 ARG A 62 8.004 15.488 9.719 1.00 0.00 H new ATOM 0 HG2 ARG A 62 9.373 13.518 9.048 1.00 0.00 H new ATOM 0 HG3 ARG A 62 9.079 12.771 10.606 1.00 0.00 H new ATOM 0 HD2 ARG A 62 6.948 13.440 8.524 1.00 0.00 H new ATOM 0 HD3 ARG A 62 7.578 11.841 8.866 1.00 0.00 H new ATOM 0 HE ARG A 62 6.252 13.415 11.034 1.00 0.00 H new ATOM 0 HH11 ARG A 62 6.215 10.494 8.975 1.00 0.00 H new ATOM 0 HH12 ARG A 62 4.956 9.727 9.949 1.00 0.00 H new ATOM 0 HH21 ARG A 62 4.668 12.445 12.210 1.00 0.00 H new ATOM 0 HH22 ARG A 62 4.078 10.835 11.784 1.00 0.00 H new ATOM 1068 N GLU A 67 13.201 15.938 3.569 1.00 0.00 N ATOM 1069 CA GLU A 67 12.354 14.950 2.916 1.00 0.00 C ATOM 1070 C GLU A 67 12.057 13.764 3.831 1.00 0.00 C ATOM 1071 O GLU A 67 12.744 13.559 4.831 1.00 0.00 O ATOM 1072 CB GLU A 67 13.029 14.448 1.629 1.00 0.00 C ATOM 1073 CG GLU A 67 13.427 15.574 0.664 1.00 0.00 C ATOM 1074 CD GLU A 67 13.628 15.038 -0.750 1.00 0.00 C ATOM 1075 OE1 GLU A 67 12.602 14.670 -1.364 1.00 0.00 O ATOM 1076 OE2 GLU A 67 14.798 15.000 -1.187 1.00 0.00 O ATOM 0 HA GLU A 67 11.408 15.436 2.675 1.00 0.00 H new ATOM 0 HB2 GLU A 67 13.919 13.877 1.894 1.00 0.00 H new ATOM 0 HB3 GLU A 67 12.352 13.764 1.117 1.00 0.00 H new ATOM 0 HG2 GLU A 67 12.654 16.343 0.659 1.00 0.00 H new ATOM 0 HG3 GLU A 67 14.345 16.047 1.011 1.00 0.00 H new ATOM 1083 N VAL A 68 11.057 12.965 3.440 1.00 0.00 N ATOM 1084 CA VAL A 68 10.747 11.659 4.013 1.00 0.00 C ATOM 1085 C VAL A 68 10.658 10.654 2.864 1.00 0.00 C ATOM 1086 O VAL A 68 10.405 11.051 1.723 1.00 0.00 O ATOM 1087 CB VAL A 68 9.434 11.684 4.820 1.00 0.00 C ATOM 1088 CG1 VAL A 68 9.451 12.772 5.895 1.00 0.00 C ATOM 1089 CG2 VAL A 68 8.198 11.820 3.926 1.00 0.00 C ATOM 0 H VAL A 68 10.420 13.225 2.687 1.00 0.00 H new ATOM 0 HA VAL A 68 11.533 11.373 4.712 1.00 0.00 H new ATOM 0 HB VAL A 68 9.365 10.717 5.319 1.00 0.00 H new ATOM 0 HG11 VAL A 68 8.508 12.758 6.442 1.00 0.00 H new ATOM 0 HG12 VAL A 68 10.274 12.588 6.585 1.00 0.00 H new ATOM 0 HG13 VAL A 68 9.583 13.746 5.424 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.301 11.832 4.545 1.00 0.00 H new ATOM 0 HG22 VAL A 68 8.260 12.748 3.358 1.00 0.00 H new ATOM 0 HG23 VAL A 68 8.152 10.976 3.238 1.00 0.00 H new ATOM 1099 N ASN A 69 10.850 9.366 3.168 1.00 0.00 N ATOM 1100 CA ASN A 69 10.667 8.266 2.223 1.00 0.00 C ATOM 1101 C ASN A 69 9.215 7.779 2.203 1.00 0.00 C ATOM 1102 O ASN A 69 8.414 8.166 3.053 1.00 0.00 O ATOM 1103 CB ASN A 69 11.659 7.124 2.500 1.00 0.00 C ATOM 1104 CG ASN A 69 11.340 6.290 3.743 1.00 0.00 C ATOM 1105 OD1 ASN A 69 10.215 5.841 3.948 1.00 0.00 O ATOM 1106 ND2 ASN A 69 12.336 6.055 4.592 1.00 0.00 N ATOM 0 H ASN A 69 11.142 9.056 4.095 1.00 0.00 H new ATOM 0 HA ASN A 69 10.885 8.644 1.224 1.00 0.00 H new ATOM 0 HB2 ASN A 69 11.685 6.464 1.633 1.00 0.00 H new ATOM 0 HB3 ASN A 69 12.658 7.546 2.609 1.00 0.00 H new ATOM 0 HD21 ASN A 69 12.172 5.495 5.428 1.00 0.00 H new ATOM 0 HD22 ASN A 69 13.264 6.435 4.407 1.00 0.00 H new ATOM 1113 N PHE A 70 8.889 6.900 1.250 1.00 0.00 N ATOM 1114 CA PHE A 70 7.574 6.272 1.134 1.00 0.00 C ATOM 1115 C PHE A 70 7.021 5.780 2.476 1.00 0.00 C ATOM 1116 O PHE A 70 5.982 6.265 2.912 1.00 0.00 O ATOM 1117 CB PHE A 70 7.600 5.150 0.090 1.00 0.00 C ATOM 1118 CG PHE A 70 6.284 4.413 -0.083 1.00 0.00 C ATOM 1119 CD1 PHE A 70 5.171 5.084 -0.619 1.00 0.00 C ATOM 1120 CD2 PHE A 70 6.182 3.048 0.247 1.00 0.00 C ATOM 1121 CE1 PHE A 70 3.969 4.391 -0.845 1.00 0.00 C ATOM 1122 CE2 PHE A 70 4.982 2.353 0.017 1.00 0.00 C ATOM 1123 CZ PHE A 70 3.874 3.026 -0.528 1.00 0.00 C ATOM 0 H PHE A 70 9.544 6.602 0.527 1.00 0.00 H new ATOM 0 HA PHE A 70 6.885 7.045 0.794 1.00 0.00 H new ATOM 0 HB2 PHE A 70 7.893 5.573 -0.871 1.00 0.00 H new ATOM 0 HB3 PHE A 70 8.370 4.430 0.369 1.00 0.00 H new ATOM 0 HD1 PHE A 70 5.240 6.135 -0.858 1.00 0.00 H new ATOM 0 HD2 PHE A 70 7.028 2.534 0.678 1.00 0.00 H new ATOM 0 HE1 PHE A 70 3.118 4.909 -1.263 1.00 0.00 H new ATOM 0 HE2 PHE A 70 4.911 1.303 0.259 1.00 0.00 H new ATOM 0 HZ PHE A 70 2.951 2.494 -0.703 1.00 0.00 H new ATOM 1133 N GLN A 71 7.674 4.831 3.154 1.00 0.00 N ATOM 1134 CA GLN A 71 7.099 4.273 4.377 1.00 0.00 C ATOM 1135 C GLN A 71 6.927 5.358 5.444 1.00 0.00 C ATOM 1136 O GLN A 71 5.965 5.328 6.208 1.00 0.00 O ATOM 1137 CB GLN A 71 7.919 3.088 4.905 1.00 0.00 C ATOM 1138 CG GLN A 71 7.136 2.237 5.923 1.00 0.00 C ATOM 1139 CD GLN A 71 6.084 1.366 5.245 1.00 0.00 C ATOM 1140 OE1 GLN A 71 6.414 0.393 4.577 1.00 0.00 O ATOM 1141 NE2 GLN A 71 4.807 1.696 5.418 1.00 0.00 N ATOM 0 H GLN A 71 8.578 4.443 2.884 1.00 0.00 H new ATOM 0 HA GLN A 71 6.110 3.887 4.129 1.00 0.00 H new ATOM 0 HB2 GLN A 71 8.223 2.459 4.068 1.00 0.00 H new ATOM 0 HB3 GLN A 71 8.831 3.460 5.372 1.00 0.00 H new ATOM 0 HG2 GLN A 71 7.829 1.604 6.477 1.00 0.00 H new ATOM 0 HG3 GLN A 71 6.653 2.892 6.648 1.00 0.00 H new ATOM 0 HE21 GLN A 71 4.563 2.512 5.980 1.00 0.00 H new ATOM 0 HE22 GLN A 71 4.072 1.133 4.989 1.00 0.00 H new ATOM 1150 N GLU A 72 7.833 6.335 5.504 1.00 0.00 N ATOM 1151 CA GLU A 72 7.694 7.465 6.414 1.00 0.00 C ATOM 1152 C GLU A 72 6.461 8.312 6.054 1.00 0.00 C ATOM 1153 O GLU A 72 5.712 8.723 6.941 1.00 0.00 O ATOM 1154 CB GLU A 72 8.981 8.289 6.406 1.00 0.00 C ATOM 1155 CG GLU A 72 10.157 7.507 7.009 1.00 0.00 C ATOM 1156 CD GLU A 72 11.482 8.250 6.856 1.00 0.00 C ATOM 1157 OE1 GLU A 72 11.647 8.915 5.809 1.00 0.00 O ATOM 1158 OE2 GLU A 72 12.312 8.128 7.781 1.00 0.00 O ATOM 0 H GLU A 72 8.674 6.363 4.928 1.00 0.00 H new ATOM 0 HA GLU A 72 7.534 7.096 7.427 1.00 0.00 H new ATOM 0 HB2 GLU A 72 9.222 8.578 5.383 1.00 0.00 H new ATOM 0 HB3 GLU A 72 8.828 9.209 6.970 1.00 0.00 H new ATOM 0 HG2 GLU A 72 9.965 7.323 8.066 1.00 0.00 H new ATOM 0 HG3 GLU A 72 10.230 6.533 6.525 1.00 0.00 H new ATOM 1165 N TYR A 73 6.209 8.542 4.763 1.00 0.00 N ATOM 1166 CA TYR A 73 4.960 9.142 4.302 1.00 0.00 C ATOM 1167 C TYR A 73 3.769 8.294 4.770 1.00 0.00 C ATOM 1168 O TYR A 73 2.817 8.812 5.350 1.00 0.00 O ATOM 1169 CB TYR A 73 4.997 9.345 2.776 1.00 0.00 C ATOM 1170 CG TYR A 73 3.676 9.175 2.040 1.00 0.00 C ATOM 1171 CD1 TYR A 73 2.798 10.264 1.887 1.00 0.00 C ATOM 1172 CD2 TYR A 73 3.380 7.951 1.408 1.00 0.00 C ATOM 1173 CE1 TYR A 73 1.658 10.139 1.072 1.00 0.00 C ATOM 1174 CE2 TYR A 73 2.225 7.820 0.620 1.00 0.00 C ATOM 1175 CZ TYR A 73 1.382 8.923 0.423 1.00 0.00 C ATOM 1176 OH TYR A 73 0.311 8.828 -0.416 1.00 0.00 O ATOM 0 H TYR A 73 6.863 8.318 4.013 1.00 0.00 H new ATOM 0 HA TYR A 73 4.837 10.131 4.743 1.00 0.00 H new ATOM 0 HB2 TYR A 73 5.375 10.347 2.573 1.00 0.00 H new ATOM 0 HB3 TYR A 73 5.716 8.642 2.355 1.00 0.00 H new ATOM 0 HD1 TYR A 73 2.999 11.196 2.395 1.00 0.00 H new ATOM 0 HD2 TYR A 73 4.045 7.109 1.530 1.00 0.00 H new ATOM 0 HE1 TYR A 73 0.993 10.980 0.945 1.00 0.00 H new ATOM 0 HE2 TYR A 73 1.986 6.870 0.166 1.00 0.00 H new ATOM 0 HH TYR A 73 0.452 8.088 -1.043 1.00 0.00 H new ATOM 1186 N ILE A 74 3.832 6.976 4.573 1.00 0.00 N ATOM 1187 CA ILE A 74 2.807 6.064 5.066 1.00 0.00 C ATOM 1188 C ILE A 74 2.698 6.143 6.598 1.00 0.00 C ATOM 1189 O ILE A 74 1.623 5.925 7.151 1.00 0.00 O ATOM 1190 CB ILE A 74 3.074 4.629 4.583 1.00 0.00 C ATOM 1191 CG1 ILE A 74 3.155 4.464 3.052 1.00 0.00 C ATOM 1192 CG2 ILE A 74 1.999 3.687 5.112 1.00 0.00 C ATOM 1193 CD1 ILE A 74 1.826 4.685 2.323 1.00 0.00 C ATOM 0 H ILE A 74 4.591 6.516 4.070 1.00 0.00 H new ATOM 0 HA ILE A 74 1.845 6.370 4.655 1.00 0.00 H new ATOM 0 HB ILE A 74 4.059 4.381 4.978 1.00 0.00 H new ATOM 0 HG12 ILE A 74 3.892 5.166 2.661 1.00 0.00 H new ATOM 0 HG13 ILE A 74 3.518 3.462 2.825 1.00 0.00 H new ATOM 0 HG21 ILE A 74 2.199 2.674 4.763 1.00 0.00 H new ATOM 0 HG22 ILE A 74 2.005 3.703 6.202 1.00 0.00 H new ATOM 0 HG23 ILE A 74 1.023 4.009 4.750 1.00 0.00 H new ATOM 0 HD11 ILE A 74 1.972 4.550 1.251 1.00 0.00 H new ATOM 0 HD12 ILE A 74 1.090 3.966 2.682 1.00 0.00 H new ATOM 0 HD13 ILE A 74 1.469 5.697 2.516 1.00 0.00 H new ATOM 1205 N THR A 75 3.786 6.459 7.302 1.00 0.00 N ATOM 1206 CA THR A 75 3.751 6.695 8.740 1.00 0.00 C ATOM 1207 C THR A 75 3.016 8.002 9.043 1.00 0.00 C ATOM 1208 O THR A 75 2.229 8.065 9.980 1.00 0.00 O ATOM 1209 CB THR A 75 5.158 6.625 9.351 1.00 0.00 C ATOM 1210 OG1 THR A 75 5.774 5.411 8.973 1.00 0.00 O ATOM 1211 CG2 THR A 75 5.110 6.668 10.881 1.00 0.00 C ATOM 0 H THR A 75 4.713 6.558 6.889 1.00 0.00 H new ATOM 0 HA THR A 75 3.184 5.898 9.221 1.00 0.00 H new ATOM 0 HB THR A 75 5.718 7.485 8.986 1.00 0.00 H new ATOM 0 HG1 THR A 75 5.918 5.405 8.004 1.00 0.00 H new ATOM 0 HG21 THR A 75 6.124 6.616 11.278 1.00 0.00 H new ATOM 0 HG22 THR A 75 4.640 7.597 11.204 1.00 0.00 H new ATOM 0 HG23 THR A 75 4.532 5.821 11.251 1.00 0.00 H new ATOM 1219 N PHE A 76 3.242 9.050 8.249 1.00 0.00 N ATOM 1220 CA PHE A 76 2.495 10.302 8.356 1.00 0.00 C ATOM 1221 C PHE A 76 0.992 10.019 8.208 1.00 0.00 C ATOM 1222 O PHE A 76 0.192 10.357 9.083 1.00 0.00 O ATOM 1223 CB PHE A 76 3.031 11.298 7.313 1.00 0.00 C ATOM 1224 CG PHE A 76 2.608 12.745 7.482 1.00 0.00 C ATOM 1225 CD1 PHE A 76 3.285 13.565 8.402 1.00 0.00 C ATOM 1226 CD2 PHE A 76 1.714 13.326 6.561 1.00 0.00 C ATOM 1227 CE1 PHE A 76 3.065 14.952 8.413 1.00 0.00 C ATOM 1228 CE2 PHE A 76 1.518 14.718 6.550 1.00 0.00 C ATOM 1229 CZ PHE A 76 2.187 15.530 7.480 1.00 0.00 C ATOM 0 H PHE A 76 3.949 9.054 7.514 1.00 0.00 H new ATOM 0 HA PHE A 76 2.632 10.757 9.337 1.00 0.00 H new ATOM 0 HB2 PHE A 76 4.120 11.256 7.329 1.00 0.00 H new ATOM 0 HB3 PHE A 76 2.714 10.962 6.326 1.00 0.00 H new ATOM 0 HD1 PHE A 76 3.978 13.126 9.104 1.00 0.00 H new ATOM 0 HD2 PHE A 76 1.178 12.701 5.862 1.00 0.00 H new ATOM 0 HE1 PHE A 76 3.570 15.574 9.138 1.00 0.00 H new ATOM 0 HE2 PHE A 76 0.852 15.163 5.826 1.00 0.00 H new ATOM 0 HZ PHE A 76 2.027 16.598 7.478 1.00 0.00 H new ATOM 1239 N LEU A 77 0.607 9.342 7.120 1.00 0.00 N ATOM 1240 CA LEU A 77 -0.787 8.979 6.876 1.00 0.00 C ATOM 1241 C LEU A 77 -1.328 8.024 7.948 1.00 0.00 C ATOM 1242 O LEU A 77 -2.468 8.152 8.383 1.00 0.00 O ATOM 1243 CB LEU A 77 -0.953 8.352 5.486 1.00 0.00 C ATOM 1244 CG LEU A 77 -0.580 9.272 4.311 1.00 0.00 C ATOM 1245 CD1 LEU A 77 -0.932 8.545 3.009 1.00 0.00 C ATOM 1246 CD2 LEU A 77 -1.312 10.619 4.353 1.00 0.00 C ATOM 0 H LEU A 77 1.250 9.034 6.391 1.00 0.00 H new ATOM 0 HA LEU A 77 -1.368 9.900 6.924 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.339 7.453 5.433 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -1.990 8.037 5.367 1.00 0.00 H new ATOM 0 HG LEU A 77 0.486 9.490 4.377 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.677 9.177 2.159 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.370 7.613 2.949 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.000 8.327 2.991 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.008 11.225 3.499 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.388 10.450 4.313 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.061 11.141 5.276 1.00 0.00 H new ATOM 1258 N GLY A 78 -0.532 7.046 8.371 1.00 0.00 N ATOM 1259 CA GLY A 78 -0.951 6.076 9.367 1.00 0.00 C ATOM 1260 C GLY A 78 -1.179 6.751 10.716 1.00 0.00 C ATOM 1261 O GLY A 78 -2.161 6.468 11.395 1.00 0.00 O ATOM 0 H GLY A 78 0.420 6.907 8.031 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -1.868 5.586 9.041 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -0.193 5.300 9.467 1.00 0.00 H new ATOM 1265 N ALA A 79 -0.299 7.679 11.091 1.00 0.00 N ATOM 1266 CA ALA A 79 -0.463 8.499 12.279 1.00 0.00 C ATOM 1267 C ALA A 79 -1.736 9.339 12.167 1.00 0.00 C ATOM 1268 O ALA A 79 -2.526 9.377 13.105 1.00 0.00 O ATOM 1269 CB ALA A 79 0.781 9.367 12.478 1.00 0.00 C ATOM 0 H ALA A 79 0.554 7.880 10.570 1.00 0.00 H new ATOM 0 HA ALA A 79 -0.571 7.862 13.157 1.00 0.00 H new ATOM 0 HB1 ALA A 79 0.657 9.982 13.369 1.00 0.00 H new ATOM 0 HB2 ALA A 79 1.656 8.728 12.597 1.00 0.00 H new ATOM 0 HB3 ALA A 79 0.918 10.011 11.609 1.00 0.00 H new ATOM 1275 N LEU A 80 -1.959 9.997 11.023 1.00 0.00 N ATOM 1276 CA LEU A 80 -3.190 10.748 10.775 1.00 0.00 C ATOM 1277 C LEU A 80 -4.406 9.856 11.050 1.00 0.00 C ATOM 1278 O LEU A 80 -5.263 10.165 11.886 1.00 0.00 O ATOM 1279 CB LEU A 80 -3.190 11.245 9.319 1.00 0.00 C ATOM 1280 CG LEU A 80 -4.461 12.006 8.924 1.00 0.00 C ATOM 1281 CD1 LEU A 80 -4.337 13.469 9.327 1.00 0.00 C ATOM 1282 CD2 LEU A 80 -4.671 11.915 7.411 1.00 0.00 C ATOM 0 H LEU A 80 -1.295 10.023 10.250 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.244 11.609 11.441 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.327 11.894 9.167 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.068 10.391 8.653 1.00 0.00 H new ATOM 0 HG LEU A 80 -5.313 11.560 9.438 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -5.244 14.003 9.043 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -4.198 13.539 10.406 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.480 13.914 8.821 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -5.576 12.457 7.136 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.815 12.353 6.898 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -4.772 10.869 7.120 1.00 0.00 H new ATOM 1294 N ALA A 81 -4.449 8.738 10.320 1.00 0.00 N ATOM 1295 CA ALA A 81 -5.474 7.723 10.429 1.00 0.00 C ATOM 1296 C ALA A 81 -5.702 7.365 11.891 1.00 0.00 C ATOM 1297 O ALA A 81 -6.836 7.427 12.355 1.00 0.00 O ATOM 1298 CB ALA A 81 -5.070 6.492 9.617 1.00 0.00 C ATOM 0 H ALA A 81 -3.744 8.517 9.617 1.00 0.00 H new ATOM 0 HA ALA A 81 -6.411 8.108 10.026 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -5.845 5.730 9.702 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -4.948 6.771 8.570 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -4.129 6.097 9.999 1.00 0.00 H new ATOM 1304 N MET A 82 -4.634 7.011 12.606 1.00 0.00 N ATOM 1305 CA MET A 82 -4.692 6.632 14.004 1.00 0.00 C ATOM 1306 C MET A 82 -5.302 7.744 14.857 1.00 0.00 C ATOM 1307 O MET A 82 -6.215 7.483 15.635 1.00 0.00 O ATOM 1308 CB MET A 82 -3.293 6.225 14.484 1.00 0.00 C ATOM 1309 CG MET A 82 -3.312 5.767 15.949 1.00 0.00 C ATOM 1310 SD MET A 82 -1.783 5.036 16.592 1.00 0.00 S ATOM 1311 CE MET A 82 -1.596 3.596 15.516 1.00 0.00 C ATOM 0 H MET A 82 -3.692 6.981 12.217 1.00 0.00 H new ATOM 0 HA MET A 82 -5.350 5.770 14.115 1.00 0.00 H new ATOM 0 HB2 MET A 82 -2.911 5.421 13.855 1.00 0.00 H new ATOM 0 HB3 MET A 82 -2.610 7.067 14.374 1.00 0.00 H new ATOM 0 HG2 MET A 82 -3.567 6.625 16.571 1.00 0.00 H new ATOM 0 HG3 MET A 82 -4.114 5.038 16.068 1.00 0.00 H new ATOM 0 HE1 MET A 82 -0.854 2.919 15.940 1.00 0.00 H new ATOM 0 HE2 MET A 82 -2.552 3.079 15.431 1.00 0.00 H new ATOM 0 HE3 MET A 82 -1.269 3.920 14.528 1.00 0.00 H new ATOM 1321 N ILE A 83 -4.789 8.973 14.745 1.00 0.00 N ATOM 1322 CA ILE A 83 -5.221 10.056 15.618 1.00 0.00 C ATOM 1323 C ILE A 83 -6.716 10.336 15.431 1.00 0.00 C ATOM 1324 O ILE A 83 -7.408 10.508 16.438 1.00 0.00 O ATOM 1325 CB ILE A 83 -4.351 11.319 15.467 1.00 0.00 C ATOM 1326 CG1 ILE A 83 -2.895 11.059 15.893 1.00 0.00 C ATOM 1327 CG2 ILE A 83 -4.916 12.447 16.352 1.00 0.00 C ATOM 1328 CD1 ILE A 83 -1.963 12.179 15.416 1.00 0.00 C ATOM 0 H ILE A 83 -4.079 9.237 14.062 1.00 0.00 H new ATOM 0 HA ILE A 83 -5.077 9.731 16.648 1.00 0.00 H new ATOM 0 HB ILE A 83 -4.367 11.603 14.415 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -2.841 10.977 16.979 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -2.560 10.106 15.484 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -4.299 13.339 16.243 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -5.937 12.673 16.045 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -4.912 12.128 17.394 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -0.943 11.964 15.734 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -1.998 12.243 14.328 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -2.284 13.128 15.846 1.00 0.00 H new ATOM 1340 N TYR A 84 -7.226 10.408 14.189 1.00 0.00 N ATOM 1341 CA TYR A 84 -8.659 10.676 14.011 1.00 0.00 C ATOM 1342 C TYR A 84 -9.555 9.432 14.129 1.00 0.00 C ATOM 1343 O TYR A 84 -10.655 9.526 14.673 1.00 0.00 O ATOM 1344 CB TYR A 84 -8.998 11.702 12.910 1.00 0.00 C ATOM 1345 CG TYR A 84 -8.500 11.550 11.484 1.00 0.00 C ATOM 1346 CD1 TYR A 84 -8.496 10.305 10.836 1.00 0.00 C ATOM 1347 CD2 TYR A 84 -8.328 12.722 10.721 1.00 0.00 C ATOM 1348 CE1 TYR A 84 -8.309 10.232 9.443 1.00 0.00 C ATOM 1349 CE2 TYR A 84 -8.056 12.650 9.346 1.00 0.00 C ATOM 1350 CZ TYR A 84 -8.088 11.403 8.698 1.00 0.00 C ATOM 1351 OH TYR A 84 -7.965 11.338 7.343 1.00 0.00 O ATOM 0 H TYR A 84 -6.692 10.290 13.328 1.00 0.00 H new ATOM 0 HA TYR A 84 -8.957 11.237 14.897 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -10.085 11.759 12.858 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -8.645 12.670 13.264 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -8.637 9.400 11.408 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -8.406 13.687 11.200 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -8.335 9.274 8.945 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -7.824 13.546 8.790 1.00 0.00 H new ATOM 0 HH TYR A 84 -8.699 10.804 6.973 1.00 0.00 H new ATOM 1361 N ASN A 85 -9.100 8.249 13.702 1.00 0.00 N ATOM 1362 CA ASN A 85 -9.856 7.013 13.908 1.00 0.00 C ATOM 1363 C ASN A 85 -9.543 6.468 15.294 1.00 0.00 C ATOM 1364 O ASN A 85 -8.698 5.586 15.440 1.00 0.00 O ATOM 1365 CB ASN A 85 -9.562 5.940 12.851 1.00 0.00 C ATOM 1366 CG ASN A 85 -9.992 6.350 11.451 1.00 0.00 C ATOM 1367 OD1 ASN A 85 -11.107 6.075 11.023 1.00 0.00 O ATOM 1368 ND2 ASN A 85 -9.095 6.992 10.714 1.00 0.00 N ATOM 0 H ASN A 85 -8.214 8.123 13.213 1.00 0.00 H new ATOM 0 HA ASN A 85 -10.914 7.259 13.814 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -8.494 5.724 12.848 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -10.073 5.017 13.126 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -9.325 7.272 9.760 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -8.176 7.206 11.101 1.00 0.00 H new ATOM 1375 N GLU A 86 -10.270 6.956 16.302 1.00 0.00 N ATOM 1376 CA GLU A 86 -10.244 6.443 17.669 1.00 0.00 C ATOM 1377 C GLU A 86 -10.097 4.908 17.744 1.00 0.00 C ATOM 1378 O GLU A 86 -9.316 4.394 18.543 1.00 0.00 O ATOM 1379 CB GLU A 86 -11.445 6.973 18.480 1.00 0.00 C ATOM 1380 CG GLU A 86 -12.769 7.176 17.719 1.00 0.00 C ATOM 1381 CD GLU A 86 -13.310 5.896 17.094 1.00 0.00 C ATOM 1382 OE1 GLU A 86 -14.025 5.166 17.813 1.00 0.00 O ATOM 1383 OE2 GLU A 86 -12.969 5.653 15.915 1.00 0.00 O ATOM 0 H GLU A 86 -10.910 7.741 16.184 1.00 0.00 H new ATOM 0 HA GLU A 86 -9.339 6.830 18.137 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -11.630 6.282 19.302 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -11.160 7.927 18.923 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -13.515 7.581 18.403 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -12.619 7.919 16.936 1.00 0.00 H new ATOM 1390 N ALA A 87 -10.811 4.181 16.880 1.00 0.00 N ATOM 1391 CA ALA A 87 -10.813 2.723 16.804 1.00 0.00 C ATOM 1392 C ALA A 87 -9.423 2.098 16.621 1.00 0.00 C ATOM 1393 O ALA A 87 -9.276 0.895 16.827 1.00 0.00 O ATOM 1394 CB ALA A 87 -11.739 2.295 15.662 1.00 0.00 C ATOM 0 H ALA A 87 -11.426 4.611 16.189 1.00 0.00 H new ATOM 0 HA ALA A 87 -11.170 2.354 17.765 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -11.752 1.207 15.592 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -12.748 2.658 15.857 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -11.377 2.715 14.723 1.00 0.00 H new ATOM 1400 N LEU A 88 -8.420 2.880 16.206 1.00 0.00 N ATOM 1401 CA LEU A 88 -7.055 2.422 15.971 1.00 0.00 C ATOM 1402 C LEU A 88 -6.071 2.937 17.026 1.00 0.00 C ATOM 1403 O LEU A 88 -4.865 2.788 16.834 1.00 0.00 O ATOM 1404 CB LEU A 88 -6.601 2.901 14.588 1.00 0.00 C ATOM 1405 CG LEU A 88 -7.528 2.482 13.442 1.00 0.00 C ATOM 1406 CD1 LEU A 88 -6.995 3.106 12.153 1.00 0.00 C ATOM 1407 CD2 LEU A 88 -7.591 0.957 13.291 1.00 0.00 C ATOM 0 H LEU A 88 -8.544 3.875 16.021 1.00 0.00 H new ATOM 0 HA LEU A 88 -7.058 1.334 16.031 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -6.525 3.988 14.600 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.601 2.513 14.392 1.00 0.00 H new ATOM 0 HG LEU A 88 -8.539 2.828 13.657 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -7.638 2.823 11.319 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -6.985 4.191 12.251 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -5.982 2.749 11.968 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -8.258 0.700 12.468 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -6.593 0.570 13.083 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -7.966 0.515 14.214 1.00 0.00 H new ATOM 1469 N ALA B 2 -15.127 11.787 2.318 1.00 0.00 N ATOM 1470 CA ALA B 2 -14.047 10.829 2.149 1.00 0.00 C ATOM 1471 C ALA B 2 -13.282 11.120 0.855 1.00 0.00 C ATOM 1472 O ALA B 2 -13.473 10.436 -0.155 1.00 0.00 O ATOM 1473 CB ALA B 2 -14.593 9.400 2.192 1.00 0.00 C ATOM 0 HA ALA B 2 -13.341 10.929 2.973 1.00 0.00 H new ATOM 0 HB1 ALA B 2 -13.773 8.693 2.064 1.00 0.00 H new ATOM 0 HB2 ALA B 2 -15.077 9.224 3.153 1.00 0.00 H new ATOM 0 HB3 ALA B 2 -15.318 9.263 1.390 1.00 0.00 H new ATOM 1479 N SER B 3 -12.417 12.139 0.898 1.00 0.00 N ATOM 1480 CA SER B 3 -11.473 12.489 -0.156 1.00 0.00 C ATOM 1481 C SER B 3 -10.694 11.242 -0.597 1.00 0.00 C ATOM 1482 O SER B 3 -10.542 10.337 0.219 1.00 0.00 O ATOM 1483 CB SER B 3 -10.501 13.550 0.388 1.00 0.00 C ATOM 1484 OG SER B 3 -11.002 14.143 1.573 1.00 0.00 O ATOM 0 H SER B 3 -12.357 12.764 1.702 1.00 0.00 H new ATOM 0 HA SER B 3 -12.010 12.885 -1.018 1.00 0.00 H new ATOM 0 HB2 SER B 3 -9.533 13.091 0.589 1.00 0.00 H new ATOM 0 HB3 SER B 3 -10.339 14.320 -0.367 1.00 0.00 H new ATOM 0 HG SER B 3 -10.364 14.812 1.899 1.00 0.00 H new ATOM 1490 N PRO B 4 -10.156 11.179 -1.828 1.00 0.00 N ATOM 1491 CA PRO B 4 -9.455 10.005 -2.339 1.00 0.00 C ATOM 1492 C PRO B 4 -8.492 9.388 -1.321 1.00 0.00 C ATOM 1493 O PRO B 4 -8.591 8.200 -1.017 1.00 0.00 O ATOM 1494 CB PRO B 4 -8.748 10.466 -3.616 1.00 0.00 C ATOM 1495 CG PRO B 4 -9.661 11.585 -4.119 1.00 0.00 C ATOM 1496 CD PRO B 4 -10.180 12.232 -2.833 1.00 0.00 C ATOM 0 HA PRO B 4 -10.157 9.197 -2.547 1.00 0.00 H new ATOM 0 HB2 PRO B 4 -7.739 10.826 -3.413 1.00 0.00 H new ATOM 0 HB3 PRO B 4 -8.658 9.659 -4.343 1.00 0.00 H new ATOM 0 HG2 PRO B 4 -9.116 12.300 -4.736 1.00 0.00 H new ATOM 0 HG3 PRO B 4 -10.476 11.194 -4.728 1.00 0.00 H new ATOM 0 HD2 PRO B 4 -9.552 13.072 -2.536 1.00 0.00 H new ATOM 0 HD3 PRO B 4 -11.189 12.621 -2.969 1.00 0.00 H new ATOM 1504 N LEU B 5 -7.593 10.201 -0.755 1.00 0.00 N ATOM 1505 CA LEU B 5 -6.724 9.752 0.324 1.00 0.00 C ATOM 1506 C LEU B 5 -7.507 9.182 1.505 1.00 0.00 C ATOM 1507 O LEU B 5 -7.241 8.059 1.919 1.00 0.00 O ATOM 1508 CB LEU B 5 -5.789 10.872 0.808 1.00 0.00 C ATOM 1509 CG LEU B 5 -4.336 10.787 0.319 1.00 0.00 C ATOM 1510 CD1 LEU B 5 -3.508 11.816 1.102 1.00 0.00 C ATOM 1511 CD2 LEU B 5 -3.692 9.411 0.557 1.00 0.00 C ATOM 0 H LEU B 5 -7.453 11.173 -1.031 1.00 0.00 H new ATOM 0 HA LEU B 5 -6.118 8.949 -0.096 1.00 0.00 H new ATOM 0 HB2 LEU B 5 -6.204 11.829 0.491 1.00 0.00 H new ATOM 0 HB3 LEU B 5 -5.786 10.872 1.898 1.00 0.00 H new ATOM 0 HG LEU B 5 -4.349 10.972 -0.755 1.00 0.00 H new ATOM 0 HD11 LEU B 5 -2.470 11.775 0.772 1.00 0.00 H new ATOM 0 HD12 LEU B 5 -3.906 12.815 0.924 1.00 0.00 H new ATOM 0 HD13 LEU B 5 -3.559 11.590 2.167 1.00 0.00 H new ATOM 0 HD21 LEU B 5 -2.666 9.421 0.188 1.00 0.00 H new ATOM 0 HD22 LEU B 5 -3.692 9.189 1.624 1.00 0.00 H new ATOM 0 HD23 LEU B 5 -4.261 8.647 0.028 1.00 0.00 H new ATOM 1523 N ASP B 6 -8.442 9.949 2.075 1.00 0.00 N ATOM 1524 CA ASP B 6 -9.159 9.521 3.272 1.00 0.00 C ATOM 1525 C ASP B 6 -9.879 8.200 3.015 1.00 0.00 C ATOM 1526 O ASP B 6 -9.948 7.342 3.886 1.00 0.00 O ATOM 1527 CB ASP B 6 -10.188 10.565 3.727 1.00 0.00 C ATOM 1528 CG ASP B 6 -10.789 10.161 5.069 1.00 0.00 C ATOM 1529 OD1 ASP B 6 -10.003 10.088 6.042 1.00 0.00 O ATOM 1530 OD2 ASP B 6 -12.017 9.933 5.098 1.00 0.00 O ATOM 0 H ASP B 6 -8.717 10.867 1.725 1.00 0.00 H new ATOM 0 HA ASP B 6 -8.417 9.398 4.061 1.00 0.00 H new ATOM 0 HB2 ASP B 6 -9.712 11.542 3.813 1.00 0.00 H new ATOM 0 HB3 ASP B 6 -10.977 10.659 2.980 1.00 0.00 H new ATOM 1535 N GLN B 7 -10.426 8.054 1.810 1.00 0.00 N ATOM 1536 CA GLN B 7 -11.164 6.889 1.366 1.00 0.00 C ATOM 1537 C GLN B 7 -10.224 5.693 1.224 1.00 0.00 C ATOM 1538 O GLN B 7 -10.509 4.615 1.737 1.00 0.00 O ATOM 1539 CB GLN B 7 -11.851 7.251 0.047 1.00 0.00 C ATOM 1540 CG GLN B 7 -13.059 6.362 -0.252 1.00 0.00 C ATOM 1541 CD GLN B 7 -13.748 6.776 -1.548 1.00 0.00 C ATOM 1542 OE1 GLN B 7 -14.039 5.937 -2.394 1.00 0.00 O ATOM 1543 NE2 GLN B 7 -14.014 8.067 -1.734 1.00 0.00 N ATOM 0 H GLN B 7 -10.361 8.777 1.093 1.00 0.00 H new ATOM 0 HA GLN B 7 -11.922 6.600 2.093 1.00 0.00 H new ATOM 0 HB2 GLN B 7 -12.171 8.292 0.083 1.00 0.00 H new ATOM 0 HB3 GLN B 7 -11.132 7.166 -0.768 1.00 0.00 H new ATOM 0 HG2 GLN B 7 -12.739 5.323 -0.325 1.00 0.00 H new ATOM 0 HG3 GLN B 7 -13.768 6.420 0.573 1.00 0.00 H new ATOM 0 HE21 GLN B 7 -13.763 8.748 -1.017 1.00 0.00 H new ATOM 0 HE22 GLN B 7 -14.469 8.375 -2.593 1.00 0.00 H new ATOM 1552 N ALA B 8 -9.094 5.879 0.540 1.00 0.00 N ATOM 1553 CA ALA B 8 -8.083 4.845 0.358 1.00 0.00 C ATOM 1554 C ALA B 8 -7.532 4.382 1.714 1.00 0.00 C ATOM 1555 O ALA B 8 -7.453 3.187 2.000 1.00 0.00 O ATOM 1556 CB ALA B 8 -6.983 5.400 -0.541 1.00 0.00 C ATOM 0 H ALA B 8 -8.855 6.764 0.093 1.00 0.00 H new ATOM 0 HA ALA B 8 -8.522 3.968 -0.118 1.00 0.00 H new ATOM 0 HB1 ALA B 8 -6.216 4.640 -0.689 1.00 0.00 H new ATOM 0 HB2 ALA B 8 -7.408 5.680 -1.505 1.00 0.00 H new ATOM 0 HB3 ALA B 8 -6.538 6.278 -0.072 1.00 0.00 H new ATOM 1562 N ILE B 9 -7.184 5.340 2.575 1.00 0.00 N ATOM 1563 CA ILE B 9 -6.847 5.083 3.968 1.00 0.00 C ATOM 1564 C ILE B 9 -7.983 4.271 4.599 1.00 0.00 C ATOM 1565 O ILE B 9 -7.749 3.191 5.133 1.00 0.00 O ATOM 1566 CB ILE B 9 -6.583 6.425 4.683 1.00 0.00 C ATOM 1567 CG1 ILE B 9 -5.241 7.013 4.209 1.00 0.00 C ATOM 1568 CG2 ILE B 9 -6.587 6.266 6.207 1.00 0.00 C ATOM 1569 CD1 ILE B 9 -5.043 8.471 4.636 1.00 0.00 C ATOM 0 H ILE B 9 -7.129 6.325 2.318 1.00 0.00 H new ATOM 0 HA ILE B 9 -5.934 4.495 4.061 1.00 0.00 H new ATOM 0 HB ILE B 9 -7.391 7.110 4.424 1.00 0.00 H new ATOM 0 HG12 ILE B 9 -4.425 6.409 4.607 1.00 0.00 H new ATOM 0 HG13 ILE B 9 -5.185 6.947 3.122 1.00 0.00 H new ATOM 0 HG21 ILE B 9 -6.398 7.232 6.674 1.00 0.00 H new ATOM 0 HG22 ILE B 9 -7.557 5.890 6.531 1.00 0.00 H new ATOM 0 HG23 ILE B 9 -5.809 5.562 6.501 1.00 0.00 H new ATOM 0 HD11 ILE B 9 -4.080 8.829 4.273 1.00 0.00 H new ATOM 0 HD12 ILE B 9 -5.840 9.085 4.216 1.00 0.00 H new ATOM 0 HD13 ILE B 9 -5.068 8.538 5.724 1.00 0.00 H new ATOM 1581 N GLY B 10 -9.215 4.771 4.494 1.00 0.00 N ATOM 1582 CA GLY B 10 -10.436 4.124 4.947 1.00 0.00 C ATOM 1583 C GLY B 10 -10.511 2.662 4.517 1.00 0.00 C ATOM 1584 O GLY B 10 -10.861 1.803 5.317 1.00 0.00 O ATOM 0 H GLY B 10 -9.391 5.682 4.070 1.00 0.00 H new ATOM 0 HA2 GLY B 10 -10.495 4.184 6.034 1.00 0.00 H new ATOM 0 HA3 GLY B 10 -11.298 4.661 4.551 1.00 0.00 H new ATOM 1588 N LEU B 11 -10.169 2.364 3.264 1.00 0.00 N ATOM 1589 CA LEU B 11 -10.085 1.006 2.749 1.00 0.00 C ATOM 1590 C LEU B 11 -9.058 0.187 3.544 1.00 0.00 C ATOM 1591 O LEU B 11 -9.400 -0.878 4.060 1.00 0.00 O ATOM 1592 CB LEU B 11 -9.805 1.055 1.235 1.00 0.00 C ATOM 1593 CG LEU B 11 -11.108 1.122 0.418 1.00 0.00 C ATOM 1594 CD1 LEU B 11 -10.974 2.049 -0.799 1.00 0.00 C ATOM 1595 CD2 LEU B 11 -11.488 -0.291 -0.038 1.00 0.00 C ATOM 0 H LEU B 11 -9.939 3.075 2.570 1.00 0.00 H new ATOM 0 HA LEU B 11 -11.035 0.489 2.882 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -9.187 1.924 1.007 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -9.236 0.173 0.941 1.00 0.00 H new ATOM 0 HG LEU B 11 -11.890 1.535 1.056 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -11.916 2.067 -1.348 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -10.730 3.057 -0.464 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -10.181 1.681 -1.451 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -12.410 -0.251 -0.617 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -10.689 -0.701 -0.656 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -11.635 -0.928 0.834 1.00 0.00 H new ATOM 1607 N LEU B 12 -7.818 0.668 3.691 1.00 0.00 N ATOM 1608 CA LEU B 12 -6.798 -0.042 4.475 1.00 0.00 C ATOM 1609 C LEU B 12 -7.257 -0.259 5.928 1.00 0.00 C ATOM 1610 O LEU B 12 -7.046 -1.333 6.500 1.00 0.00 O ATOM 1611 CB LEU B 12 -5.438 0.680 4.413 1.00 0.00 C ATOM 1612 CG LEU B 12 -4.575 0.246 3.213 1.00 0.00 C ATOM 1613 CD1 LEU B 12 -5.242 0.562 1.877 1.00 0.00 C ATOM 1614 CD2 LEU B 12 -3.217 0.953 3.246 1.00 0.00 C ATOM 0 H LEU B 12 -7.496 1.544 3.279 1.00 0.00 H new ATOM 0 HA LEU B 12 -6.665 -1.026 4.026 1.00 0.00 H new ATOM 0 HB2 LEU B 12 -5.607 1.756 4.361 1.00 0.00 H new ATOM 0 HB3 LEU B 12 -4.890 0.488 5.335 1.00 0.00 H new ATOM 0 HG LEU B 12 -4.450 -0.833 3.298 1.00 0.00 H new ATOM 0 HD11 LEU B 12 -4.595 0.238 1.062 1.00 0.00 H new ATOM 0 HD12 LEU B 12 -6.196 0.039 1.814 1.00 0.00 H new ATOM 0 HD13 LEU B 12 -5.412 1.636 1.800 1.00 0.00 H new ATOM 0 HD21 LEU B 12 -2.620 0.635 2.391 1.00 0.00 H new ATOM 0 HD22 LEU B 12 -3.367 2.032 3.202 1.00 0.00 H new ATOM 0 HD23 LEU B 12 -2.696 0.696 4.168 1.00 0.00 H new ATOM 1626 N ILE B 13 -7.886 0.756 6.528 1.00 0.00 N ATOM 1627 CA ILE B 13 -8.482 0.666 7.861 1.00 0.00 C ATOM 1628 C ILE B 13 -9.569 -0.411 7.897 1.00 0.00 C ATOM 1629 O ILE B 13 -9.561 -1.266 8.779 1.00 0.00 O ATOM 1630 CB ILE B 13 -9.037 2.031 8.312 1.00 0.00 C ATOM 1631 CG1 ILE B 13 -7.886 3.040 8.459 1.00 0.00 C ATOM 1632 CG2 ILE B 13 -9.819 1.889 9.632 1.00 0.00 C ATOM 1633 CD1 ILE B 13 -8.398 4.440 8.798 1.00 0.00 C ATOM 0 H ILE B 13 -7.996 1.673 6.095 1.00 0.00 H new ATOM 0 HA ILE B 13 -7.700 0.378 8.563 1.00 0.00 H new ATOM 0 HB ILE B 13 -9.728 2.401 7.554 1.00 0.00 H new ATOM 0 HG12 ILE B 13 -7.205 2.703 9.240 1.00 0.00 H new ATOM 0 HG13 ILE B 13 -7.314 3.077 7.532 1.00 0.00 H new ATOM 0 HG21 ILE B 13 -10.203 2.863 9.934 1.00 0.00 H new ATOM 0 HG22 ILE B 13 -10.651 1.199 9.490 1.00 0.00 H new ATOM 0 HG23 ILE B 13 -9.157 1.504 10.407 1.00 0.00 H new ATOM 0 HD11 ILE B 13 -7.554 5.123 8.893 1.00 0.00 H new ATOM 0 HD12 ILE B 13 -9.058 4.788 8.004 1.00 0.00 H new ATOM 0 HD13 ILE B 13 -8.947 4.409 9.739 1.00 0.00 H new ATOM 1645 N GLY B 14 -10.522 -0.367 6.968 1.00 0.00 N ATOM 1646 CA GLY B 14 -11.622 -1.314 6.898 1.00 0.00 C ATOM 1647 C GLY B 14 -11.074 -2.730 6.806 1.00 0.00 C ATOM 1648 O GLY B 14 -11.467 -3.607 7.572 1.00 0.00 O ATOM 0 H GLY B 14 -10.548 0.340 6.234 1.00 0.00 H new ATOM 0 HA2 GLY B 14 -12.256 -1.216 7.779 1.00 0.00 H new ATOM 0 HA3 GLY B 14 -12.246 -1.098 6.031 1.00 0.00 H new ATOM 1652 N ILE B 15 -10.127 -2.936 5.889 1.00 0.00 N ATOM 1653 CA ILE B 15 -9.420 -4.195 5.748 1.00 0.00 C ATOM 1654 C ILE B 15 -8.791 -4.607 7.083 1.00 0.00 C ATOM 1655 O ILE B 15 -8.924 -5.759 7.480 1.00 0.00 O ATOM 1656 CB ILE B 15 -8.391 -4.088 4.610 1.00 0.00 C ATOM 1657 CG1 ILE B 15 -9.080 -3.995 3.233 1.00 0.00 C ATOM 1658 CG2 ILE B 15 -7.402 -5.254 4.677 1.00 0.00 C ATOM 1659 CD1 ILE B 15 -9.610 -5.325 2.687 1.00 0.00 C ATOM 0 H ILE B 15 -9.832 -2.223 5.221 1.00 0.00 H new ATOM 0 HA ILE B 15 -10.120 -4.985 5.478 1.00 0.00 H new ATOM 0 HB ILE B 15 -7.828 -3.164 4.741 1.00 0.00 H new ATOM 0 HG12 ILE B 15 -9.910 -3.292 3.305 1.00 0.00 H new ATOM 0 HG13 ILE B 15 -8.372 -3.581 2.516 1.00 0.00 H new ATOM 0 HG21 ILE B 15 -6.680 -5.165 3.866 1.00 0.00 H new ATOM 0 HG22 ILE B 15 -6.879 -5.233 5.633 1.00 0.00 H new ATOM 0 HG23 ILE B 15 -7.943 -6.196 4.580 1.00 0.00 H new ATOM 0 HD11 ILE B 15 -10.077 -5.160 1.716 1.00 0.00 H new ATOM 0 HD12 ILE B 15 -8.784 -6.028 2.577 1.00 0.00 H new ATOM 0 HD13 ILE B 15 -10.346 -5.735 3.379 1.00 0.00 H new ATOM 1671 N PHE B 16 -8.114 -3.695 7.789 1.00 0.00 N ATOM 1672 CA PHE B 16 -7.585 -4.006 9.112 1.00 0.00 C ATOM 1673 C PHE B 16 -8.713 -4.507 10.022 1.00 0.00 C ATOM 1674 O PHE B 16 -8.710 -5.657 10.457 1.00 0.00 O ATOM 1675 CB PHE B 16 -6.880 -2.778 9.707 1.00 0.00 C ATOM 1676 CG PHE B 16 -6.120 -3.024 10.995 1.00 0.00 C ATOM 1677 CD1 PHE B 16 -4.947 -3.798 10.977 1.00 0.00 C ATOM 1678 CD2 PHE B 16 -6.515 -2.387 12.188 1.00 0.00 C ATOM 1679 CE1 PHE B 16 -4.128 -3.864 12.116 1.00 0.00 C ATOM 1680 CE2 PHE B 16 -5.703 -2.471 13.333 1.00 0.00 C ATOM 1681 CZ PHE B 16 -4.509 -3.211 13.299 1.00 0.00 C ATOM 0 H PHE B 16 -7.923 -2.746 7.467 1.00 0.00 H new ATOM 0 HA PHE B 16 -6.844 -4.801 9.027 1.00 0.00 H new ATOM 0 HB2 PHE B 16 -6.185 -2.384 8.965 1.00 0.00 H new ATOM 0 HB3 PHE B 16 -7.626 -2.004 9.888 1.00 0.00 H new ATOM 0 HD1 PHE B 16 -4.675 -4.343 10.085 1.00 0.00 H new ATOM 0 HD2 PHE B 16 -7.442 -1.834 12.223 1.00 0.00 H new ATOM 0 HE1 PHE B 16 -3.202 -4.419 12.082 1.00 0.00 H new ATOM 0 HE2 PHE B 16 -5.998 -1.966 14.241 1.00 0.00 H new ATOM 0 HZ PHE B 16 -3.887 -3.277 14.179 1.00 0.00 H new ATOM 1691 N HIS B 17 -9.702 -3.645 10.275 1.00 0.00 N ATOM 1692 CA HIS B 17 -10.800 -3.903 11.193 1.00 0.00 C ATOM 1693 C HIS B 17 -11.510 -5.221 10.869 1.00 0.00 C ATOM 1694 O HIS B 17 -11.905 -5.932 11.792 1.00 0.00 O ATOM 1695 CB HIS B 17 -11.774 -2.716 11.193 1.00 0.00 C ATOM 1696 CG HIS B 17 -12.797 -2.750 12.308 1.00 0.00 C ATOM 1697 ND1 HIS B 17 -13.409 -3.869 12.829 1.00 0.00 N ATOM 1698 CD2 HIS B 17 -13.298 -1.664 12.977 1.00 0.00 C ATOM 1699 CE1 HIS B 17 -14.264 -3.463 13.780 1.00 0.00 C ATOM 1700 NE2 HIS B 17 -14.226 -2.127 13.914 1.00 0.00 N ATOM 0 H HIS B 17 -9.757 -2.727 9.833 1.00 0.00 H new ATOM 0 HA HIS B 17 -10.391 -4.010 12.198 1.00 0.00 H new ATOM 0 HB2 HIS B 17 -11.202 -1.791 11.269 1.00 0.00 H new ATOM 0 HB3 HIS B 17 -12.297 -2.690 10.237 1.00 0.00 H new ATOM 0 HD1 HIS B 17 -13.242 -4.834 12.543 1.00 0.00 H new ATOM 0 HD2 HIS B 17 -13.024 -0.633 12.810 1.00 0.00 H new ATOM 0 HE1 HIS B 17 -14.896 -4.120 14.359 1.00 0.00 H new ATOM 1708 N LYS B 18 -11.680 -5.547 9.587 1.00 0.00 N ATOM 1709 CA LYS B 18 -12.280 -6.796 9.135 1.00 0.00 C ATOM 1710 C LYS B 18 -11.673 -8.004 9.862 1.00 0.00 C ATOM 1711 O LYS B 18 -12.399 -8.940 10.192 1.00 0.00 O ATOM 1712 CB LYS B 18 -12.133 -6.899 7.609 1.00 0.00 C ATOM 1713 CG LYS B 18 -12.738 -8.178 7.015 1.00 0.00 C ATOM 1714 CD LYS B 18 -12.605 -8.142 5.486 1.00 0.00 C ATOM 1715 CE LYS B 18 -13.112 -9.431 4.829 1.00 0.00 C ATOM 1716 NZ LYS B 18 -12.264 -10.592 5.160 1.00 0.00 N ATOM 0 H LYS B 18 -11.398 -4.936 8.821 1.00 0.00 H new ATOM 0 HA LYS B 18 -13.342 -6.799 9.381 1.00 0.00 H new ATOM 0 HB2 LYS B 18 -12.610 -6.034 7.148 1.00 0.00 H new ATOM 0 HB3 LYS B 18 -11.075 -6.855 7.351 1.00 0.00 H new ATOM 0 HG2 LYS B 18 -12.228 -9.054 7.415 1.00 0.00 H new ATOM 0 HG3 LYS B 18 -13.787 -8.263 7.298 1.00 0.00 H new ATOM 0 HD2 LYS B 18 -13.165 -7.292 5.094 1.00 0.00 H new ATOM 0 HD3 LYS B 18 -11.560 -7.986 5.218 1.00 0.00 H new ATOM 0 HE2 LYS B 18 -14.134 -9.625 5.153 1.00 0.00 H new ATOM 0 HE3 LYS B 18 -13.140 -9.300 3.747 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 -12.122 -11.172 4.309 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 -11.343 -10.260 5.511 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 -12.729 -11.163 5.894 1.00 0.00 H new ATOM 1730 N TYR B 19 -10.360 -7.986 10.116 1.00 0.00 N ATOM 1731 CA TYR B 19 -9.673 -9.042 10.847 1.00 0.00 C ATOM 1732 C TYR B 19 -9.479 -8.603 12.302 1.00 0.00 C ATOM 1733 O TYR B 19 -9.979 -9.259 13.215 1.00 0.00 O ATOM 1734 CB TYR B 19 -8.357 -9.410 10.144 1.00 0.00 C ATOM 1735 CG TYR B 19 -8.541 -10.032 8.766 1.00 0.00 C ATOM 1736 CD1 TYR B 19 -8.907 -9.219 7.678 1.00 0.00 C ATOM 1737 CD2 TYR B 19 -8.377 -11.417 8.565 1.00 0.00 C ATOM 1738 CE1 TYR B 19 -9.098 -9.771 6.402 1.00 0.00 C ATOM 1739 CE2 TYR B 19 -8.584 -11.973 7.288 1.00 0.00 C ATOM 1740 CZ TYR B 19 -8.935 -11.150 6.206 1.00 0.00 C ATOM 1741 OH TYR B 19 -9.156 -11.699 4.978 1.00 0.00 O ATOM 0 H TYR B 19 -9.745 -7.230 9.815 1.00 0.00 H new ATOM 0 HA TYR B 19 -10.275 -9.951 10.858 1.00 0.00 H new ATOM 0 HB2 TYR B 19 -7.746 -8.513 10.047 1.00 0.00 H new ATOM 0 HB3 TYR B 19 -7.803 -10.106 10.774 1.00 0.00 H new ATOM 0 HD1 TYR B 19 -9.043 -8.158 7.826 1.00 0.00 H new ATOM 0 HD2 TYR B 19 -8.092 -12.052 9.391 1.00 0.00 H new ATOM 0 HE1 TYR B 19 -9.370 -9.135 5.573 1.00 0.00 H new ATOM 0 HE2 TYR B 19 -8.472 -13.037 7.140 1.00 0.00 H new ATOM 0 HH TYR B 19 -9.406 -10.994 4.345 1.00 0.00 H new ATOM 1751 N SER B 20 -8.782 -7.484 12.527 1.00 0.00 N ATOM 1752 CA SER B 20 -8.424 -6.994 13.852 1.00 0.00 C ATOM 1753 C SER B 20 -9.627 -6.908 14.788 1.00 0.00 C ATOM 1754 O SER B 20 -9.500 -7.216 15.969 1.00 0.00 O ATOM 1755 CB SER B 20 -7.729 -5.635 13.736 1.00 0.00 C ATOM 1756 OG SER B 20 -6.779 -5.694 12.696 1.00 0.00 O ATOM 0 H SER B 20 -8.446 -6.885 11.773 1.00 0.00 H new ATOM 0 HA SER B 20 -7.736 -7.715 14.293 1.00 0.00 H new ATOM 0 HB2 SER B 20 -8.461 -4.853 13.533 1.00 0.00 H new ATOM 0 HB3 SER B 20 -7.242 -5.379 14.677 1.00 0.00 H new ATOM 0 HG SER B 20 -6.468 -4.789 12.485 1.00 0.00 H new ATOM 1847 N HIS B 27 -6.995 -2.566 17.877 1.00 0.00 N ATOM 1848 CA HIS B 27 -5.926 -1.640 17.534 1.00 0.00 C ATOM 1849 C HIS B 27 -4.702 -2.444 17.073 1.00 0.00 C ATOM 1850 O HIS B 27 -3.838 -1.931 16.358 1.00 0.00 O ATOM 1851 CB HIS B 27 -5.562 -0.785 18.757 1.00 0.00 C ATOM 1852 CG HIS B 27 -6.712 -0.450 19.679 1.00 0.00 C ATOM 1853 ND1 HIS B 27 -7.030 -1.117 20.840 1.00 0.00 N ATOM 1854 CD2 HIS B 27 -7.632 0.548 19.518 1.00 0.00 C ATOM 1855 CE1 HIS B 27 -8.122 -0.533 21.359 1.00 0.00 C ATOM 1856 NE2 HIS B 27 -8.530 0.486 20.586 1.00 0.00 N ATOM 0 HA HIS B 27 -6.254 -0.979 16.732 1.00 0.00 H new ATOM 0 HB2 HIS B 27 -4.799 -1.310 19.332 1.00 0.00 H new ATOM 0 HB3 HIS B 27 -5.115 0.146 18.408 1.00 0.00 H new ATOM 0 HD2 HIS B 27 -7.660 1.260 18.707 1.00 0.00 H new ATOM 0 HE1 HIS B 27 -8.606 -0.841 22.274 1.00 0.00 H new ATOM 0 HE2 HIS B 27 -9.334 1.093 20.746 1.00 0.00 H new ATOM 1864 N THR B 28 -4.652 -3.711 17.499 1.00 0.00 N ATOM 1865 CA THR B 28 -3.619 -4.690 17.221 1.00 0.00 C ATOM 1866 C THR B 28 -4.223 -5.927 16.554 1.00 0.00 C ATOM 1867 O THR B 28 -5.441 -6.108 16.551 1.00 0.00 O ATOM 1868 CB THR B 28 -2.950 -5.090 18.552 1.00 0.00 C ATOM 1869 OG1 THR B 28 -3.903 -5.190 19.593 1.00 0.00 O ATOM 1870 CG2 THR B 28 -1.917 -4.061 19.006 1.00 0.00 C ATOM 0 H THR B 28 -5.389 -4.097 18.088 1.00 0.00 H new ATOM 0 HA THR B 28 -2.881 -4.260 16.544 1.00 0.00 H new ATOM 0 HB THR B 28 -2.470 -6.050 18.363 1.00 0.00 H new ATOM 0 HG1 THR B 28 -3.453 -5.446 20.425 1.00 0.00 H new ATOM 0 HG21 THR B 28 -1.471 -4.384 19.947 1.00 0.00 H new ATOM 0 HG22 THR B 28 -1.138 -3.969 18.249 1.00 0.00 H new ATOM 0 HG23 THR B 28 -2.403 -3.095 19.147 1.00 0.00 H new ATOM 1878 N LEU B 29 -3.360 -6.788 16.010 1.00 0.00 N ATOM 1879 CA LEU B 29 -3.722 -8.127 15.570 1.00 0.00 C ATOM 1880 C LEU B 29 -2.502 -9.037 15.651 1.00 0.00 C ATOM 1881 O LEU B 29 -1.376 -8.548 15.757 1.00 0.00 O ATOM 1882 CB LEU B 29 -4.386 -8.146 14.180 1.00 0.00 C ATOM 1883 CG LEU B 29 -3.741 -7.271 13.093 1.00 0.00 C ATOM 1884 CD1 LEU B 29 -2.228 -7.451 12.954 1.00 0.00 C ATOM 1885 CD2 LEU B 29 -4.376 -7.577 11.731 1.00 0.00 C ATOM 0 H LEU B 29 -2.375 -6.566 15.863 1.00 0.00 H new ATOM 0 HA LEU B 29 -4.486 -8.511 16.246 1.00 0.00 H new ATOM 0 HB2 LEU B 29 -4.399 -9.176 13.824 1.00 0.00 H new ATOM 0 HB3 LEU B 29 -5.424 -7.835 14.295 1.00 0.00 H new ATOM 0 HG LEU B 29 -3.921 -6.243 13.408 1.00 0.00 H new ATOM 0 HD11 LEU B 29 -1.855 -6.797 12.166 1.00 0.00 H new ATOM 0 HD12 LEU B 29 -1.743 -7.196 13.896 1.00 0.00 H new ATOM 0 HD13 LEU B 29 -2.007 -8.488 12.701 1.00 0.00 H new ATOM 0 HD21 LEU B 29 -3.914 -6.953 10.966 1.00 0.00 H new ATOM 0 HD22 LEU B 29 -4.221 -8.628 11.485 1.00 0.00 H new ATOM 0 HD23 LEU B 29 -5.445 -7.368 11.773 1.00 0.00 H new ATOM 1897 N SER B 30 -2.733 -10.352 15.612 1.00 0.00 N ATOM 1898 CA SER B 30 -1.692 -11.366 15.614 1.00 0.00 C ATOM 1899 C SER B 30 -1.189 -11.609 14.194 1.00 0.00 C ATOM 1900 O SER B 30 -1.959 -11.525 13.239 1.00 0.00 O ATOM 1901 CB SER B 30 -2.205 -12.650 16.265 1.00 0.00 C ATOM 1902 OG SER B 30 -2.796 -12.372 17.520 1.00 0.00 O ATOM 0 H SER B 30 -3.674 -10.744 15.577 1.00 0.00 H new ATOM 0 HA SER B 30 -0.847 -11.013 16.206 1.00 0.00 H new ATOM 0 HB2 SER B 30 -2.935 -13.129 15.612 1.00 0.00 H new ATOM 0 HB3 SER B 30 -1.382 -13.353 16.393 1.00 0.00 H new ATOM 0 HG SER B 30 -3.120 -13.206 17.921 1.00 0.00 H new ATOM 1908 N LYS B 31 0.097 -11.932 14.046 1.00 0.00 N ATOM 1909 CA LYS B 31 0.753 -12.096 12.754 1.00 0.00 C ATOM 1910 C LYS B 31 0.041 -13.083 11.821 1.00 0.00 C ATOM 1911 O LYS B 31 0.041 -12.905 10.604 1.00 0.00 O ATOM 1912 CB LYS B 31 2.223 -12.452 12.983 1.00 0.00 C ATOM 1913 CG LYS B 31 2.438 -13.840 13.606 1.00 0.00 C ATOM 1914 CD LYS B 31 3.932 -14.033 13.888 1.00 0.00 C ATOM 1915 CE LYS B 31 4.262 -15.436 14.408 1.00 0.00 C ATOM 1916 NZ LYS B 31 4.022 -16.472 13.388 1.00 0.00 N ATOM 0 H LYS B 31 0.721 -12.089 14.838 1.00 0.00 H new ATOM 0 HA LYS B 31 0.695 -11.146 12.223 1.00 0.00 H new ATOM 0 HB2 LYS B 31 2.750 -12.407 12.030 1.00 0.00 H new ATOM 0 HB3 LYS B 31 2.672 -11.700 13.632 1.00 0.00 H new ATOM 0 HG2 LYS B 31 1.866 -13.931 14.529 1.00 0.00 H new ATOM 0 HG3 LYS B 31 2.079 -14.616 12.930 1.00 0.00 H new ATOM 0 HD2 LYS B 31 4.496 -13.847 12.974 1.00 0.00 H new ATOM 0 HD3 LYS B 31 4.257 -13.294 14.620 1.00 0.00 H new ATOM 0 HE2 LYS B 31 5.305 -15.471 14.722 1.00 0.00 H new ATOM 0 HE3 LYS B 31 3.657 -15.648 15.290 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 4.383 -17.386 13.730 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 3.001 -16.549 13.205 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 4.512 -16.213 12.508 1.00 0.00 H new ATOM 1930 N LYS B 32 -0.609 -14.103 12.384 1.00 0.00 N ATOM 1931 CA LYS B 32 -1.460 -15.007 11.627 1.00 0.00 C ATOM 1932 C LYS B 32 -2.454 -14.208 10.773 1.00 0.00 C ATOM 1933 O LYS B 32 -2.639 -14.509 9.595 1.00 0.00 O ATOM 1934 CB LYS B 32 -2.127 -15.991 12.601 1.00 0.00 C ATOM 1935 CG LYS B 32 -2.973 -17.066 11.899 1.00 0.00 C ATOM 1936 CD LYS B 32 -4.448 -16.661 11.763 1.00 0.00 C ATOM 1937 CE LYS B 32 -5.230 -16.878 13.063 1.00 0.00 C ATOM 1938 NZ LYS B 32 -6.581 -16.298 12.965 1.00 0.00 N ATOM 0 H LYS B 32 -0.557 -14.321 13.379 1.00 0.00 H new ATOM 0 HA LYS B 32 -0.875 -15.598 10.923 1.00 0.00 H new ATOM 0 HB2 LYS B 32 -1.356 -16.478 13.198 1.00 0.00 H new ATOM 0 HB3 LYS B 32 -2.761 -15.434 13.291 1.00 0.00 H new ATOM 0 HG2 LYS B 32 -2.560 -17.259 10.909 1.00 0.00 H new ATOM 0 HG3 LYS B 32 -2.906 -17.999 12.459 1.00 0.00 H new ATOM 0 HD2 LYS B 32 -4.510 -15.612 11.475 1.00 0.00 H new ATOM 0 HD3 LYS B 32 -4.909 -17.239 10.963 1.00 0.00 H new ATOM 0 HE2 LYS B 32 -5.302 -17.945 13.275 1.00 0.00 H new ATOM 0 HE3 LYS B 32 -4.694 -16.423 13.895 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 -7.202 -16.742 13.671 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 -6.533 -15.274 13.141 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 -6.963 -16.468 12.013 1.00 0.00 H new ATOM 1952 N GLU B 33 -3.061 -13.162 11.342 1.00 0.00 N ATOM 1953 CA GLU B 33 -3.971 -12.304 10.604 1.00 0.00 C ATOM 1954 C GLU B 33 -3.252 -11.530 9.502 1.00 0.00 C ATOM 1955 O GLU B 33 -3.890 -11.235 8.502 1.00 0.00 O ATOM 1956 CB GLU B 33 -4.749 -11.343 11.510 1.00 0.00 C ATOM 1957 CG GLU B 33 -5.753 -12.051 12.428 1.00 0.00 C ATOM 1958 CD GLU B 33 -5.088 -12.572 13.691 1.00 0.00 C ATOM 1959 OE1 GLU B 33 -4.878 -11.736 14.595 1.00 0.00 O ATOM 1960 OE2 GLU B 33 -4.785 -13.783 13.731 1.00 0.00 O ATOM 0 H GLU B 33 -2.932 -12.894 12.318 1.00 0.00 H new ATOM 0 HA GLU B 33 -4.697 -12.972 10.140 1.00 0.00 H new ATOM 0 HB2 GLU B 33 -4.044 -10.780 12.121 1.00 0.00 H new ATOM 0 HB3 GLU B 33 -5.281 -10.621 10.890 1.00 0.00 H new ATOM 0 HG2 GLU B 33 -6.552 -11.359 12.696 1.00 0.00 H new ATOM 0 HG3 GLU B 33 -6.215 -12.880 11.892 1.00 0.00 H new ATOM 1967 N LEU B 34 -1.962 -11.194 9.637 1.00 0.00 N ATOM 1968 CA LEU B 34 -1.228 -10.560 8.541 1.00 0.00 C ATOM 1969 C LEU B 34 -1.112 -11.540 7.379 1.00 0.00 C ATOM 1970 O LEU B 34 -1.381 -11.193 6.228 1.00 0.00 O ATOM 1971 CB LEU B 34 0.185 -10.136 8.955 1.00 0.00 C ATOM 1972 CG LEU B 34 0.239 -9.102 10.081 1.00 0.00 C ATOM 1973 CD1 LEU B 34 1.707 -8.943 10.477 1.00 0.00 C ATOM 1974 CD2 LEU B 34 -0.311 -7.746 9.629 1.00 0.00 C ATOM 0 H LEU B 34 -1.414 -11.349 10.483 1.00 0.00 H new ATOM 0 HA LEU B 34 -1.783 -9.667 8.254 1.00 0.00 H new ATOM 0 HB2 LEU B 34 0.738 -11.022 9.267 1.00 0.00 H new ATOM 0 HB3 LEU B 34 0.698 -9.730 8.083 1.00 0.00 H new ATOM 0 HG LEU B 34 -0.373 -9.441 10.917 1.00 0.00 H new ATOM 0 HD11 LEU B 34 1.790 -8.211 11.281 1.00 0.00 H new ATOM 0 HD12 LEU B 34 2.098 -9.902 10.818 1.00 0.00 H new ATOM 0 HD13 LEU B 34 2.281 -8.602 9.616 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -0.256 -7.037 10.455 1.00 0.00 H new ATOM 0 HD22 LEU B 34 0.280 -7.374 8.792 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -1.349 -7.860 9.317 1.00 0.00 H new ATOM 1986 N LYS B 35 -0.689 -12.767 7.686 1.00 0.00 N ATOM 1987 CA LYS B 35 -0.540 -13.796 6.669 1.00 0.00 C ATOM 1988 C LYS B 35 -1.888 -14.074 5.995 1.00 0.00 C ATOM 1989 O LYS B 35 -1.958 -14.133 4.766 1.00 0.00 O ATOM 1990 CB LYS B 35 0.097 -15.056 7.270 1.00 0.00 C ATOM 1991 CG LYS B 35 1.532 -14.761 7.733 1.00 0.00 C ATOM 1992 CD LYS B 35 2.269 -16.017 8.215 1.00 0.00 C ATOM 1993 CE LYS B 35 1.713 -16.523 9.550 1.00 0.00 C ATOM 1994 NZ LYS B 35 2.528 -17.632 10.077 1.00 0.00 N ATOM 0 H LYS B 35 -0.445 -13.067 8.630 1.00 0.00 H new ATOM 0 HA LYS B 35 0.137 -13.444 5.891 1.00 0.00 H new ATOM 0 HB2 LYS B 35 -0.499 -15.406 8.113 1.00 0.00 H new ATOM 0 HB3 LYS B 35 0.104 -15.856 6.530 1.00 0.00 H new ATOM 0 HG2 LYS B 35 2.089 -14.311 6.911 1.00 0.00 H new ATOM 0 HG3 LYS B 35 1.506 -14.028 8.540 1.00 0.00 H new ATOM 0 HD2 LYS B 35 2.181 -16.801 7.463 1.00 0.00 H new ATOM 0 HD3 LYS B 35 3.331 -15.797 8.323 1.00 0.00 H new ATOM 0 HE2 LYS B 35 1.693 -15.707 10.272 1.00 0.00 H new ATOM 0 HE3 LYS B 35 0.684 -16.855 9.416 1.00 0.00 H new ATOM 0 HZ1 LYS B 35 2.130 -17.956 10.982 1.00 0.00 H new ATOM 0 HZ2 LYS B 35 2.526 -18.418 9.396 1.00 0.00 H new ATOM 0 HZ3 LYS B 35 3.504 -17.305 10.226 1.00 0.00 H new ATOM 2008 N GLU B 36 -2.964 -14.196 6.785 1.00 0.00 N ATOM 2009 CA GLU B 36 -4.307 -14.250 6.225 1.00 0.00 C ATOM 2010 C GLU B 36 -4.544 -13.025 5.344 1.00 0.00 C ATOM 2011 O GLU B 36 -4.689 -13.189 4.145 1.00 0.00 O ATOM 2012 CB GLU B 36 -5.387 -14.362 7.305 1.00 0.00 C ATOM 2013 CG GLU B 36 -5.383 -15.733 7.990 1.00 0.00 C ATOM 2014 CD GLU B 36 -6.447 -15.822 9.083 1.00 0.00 C ATOM 2015 OE1 GLU B 36 -6.587 -14.833 9.834 1.00 0.00 O ATOM 2016 OE2 GLU B 36 -7.097 -16.886 9.155 1.00 0.00 O ATOM 0 H GLU B 36 -2.924 -14.258 7.802 1.00 0.00 H new ATOM 0 HA GLU B 36 -4.380 -15.154 5.620 1.00 0.00 H new ATOM 0 HB2 GLU B 36 -5.232 -13.584 8.053 1.00 0.00 H new ATOM 0 HB3 GLU B 36 -6.365 -14.184 6.858 1.00 0.00 H new ATOM 0 HG2 GLU B 36 -5.558 -16.511 7.247 1.00 0.00 H new ATOM 0 HG3 GLU B 36 -4.400 -15.921 8.423 1.00 0.00 H new ATOM 2023 N LEU B 37 -4.589 -11.819 5.917 1.00 0.00 N ATOM 2024 CA LEU B 37 -4.810 -10.559 5.214 1.00 0.00 C ATOM 2025 C LEU B 37 -4.149 -10.563 3.840 1.00 0.00 C ATOM 2026 O LEU B 37 -4.831 -10.421 2.826 1.00 0.00 O ATOM 2027 CB LEU B 37 -4.267 -9.378 6.038 1.00 0.00 C ATOM 2028 CG LEU B 37 -5.294 -8.814 7.030 1.00 0.00 C ATOM 2029 CD1 LEU B 37 -4.599 -8.026 8.146 1.00 0.00 C ATOM 2030 CD2 LEU B 37 -6.226 -7.859 6.282 1.00 0.00 C ATOM 0 H LEU B 37 -4.467 -11.692 6.922 1.00 0.00 H new ATOM 0 HA LEU B 37 -5.886 -10.446 5.081 1.00 0.00 H new ATOM 0 HB2 LEU B 37 -3.381 -9.701 6.585 1.00 0.00 H new ATOM 0 HB3 LEU B 37 -3.951 -8.585 5.361 1.00 0.00 H new ATOM 0 HG LEU B 37 -5.847 -9.645 7.469 1.00 0.00 H new ATOM 0 HD11 LEU B 37 -5.347 -7.636 8.836 1.00 0.00 H new ATOM 0 HD12 LEU B 37 -3.916 -8.683 8.684 1.00 0.00 H new ATOM 0 HD13 LEU B 37 -4.039 -7.198 7.712 1.00 0.00 H new ATOM 0 HD21 LEU B 37 -6.961 -7.451 6.975 1.00 0.00 H new ATOM 0 HD22 LEU B 37 -5.643 -7.045 5.851 1.00 0.00 H new ATOM 0 HD23 LEU B 37 -6.739 -8.400 5.486 1.00 0.00 H new ATOM 2042 N ILE B 38 -2.825 -10.723 3.802 1.00 0.00 N ATOM 2043 CA ILE B 38 -2.103 -10.623 2.549 1.00 0.00 C ATOM 2044 C ILE B 38 -2.606 -11.687 1.564 1.00 0.00 C ATOM 2045 O ILE B 38 -3.003 -11.345 0.456 1.00 0.00 O ATOM 2046 CB ILE B 38 -0.578 -10.589 2.793 1.00 0.00 C ATOM 2047 CG1 ILE B 38 0.140 -9.695 1.776 1.00 0.00 C ATOM 2048 CG2 ILE B 38 0.089 -11.967 2.837 1.00 0.00 C ATOM 2049 CD1 ILE B 38 0.069 -8.237 2.239 1.00 0.00 C ATOM 0 H ILE B 38 -2.244 -10.920 4.617 1.00 0.00 H new ATOM 0 HA ILE B 38 -2.310 -9.671 2.060 1.00 0.00 H new ATOM 0 HB ILE B 38 -0.473 -10.163 3.791 1.00 0.00 H new ATOM 0 HG12 ILE B 38 1.180 -10.005 1.673 1.00 0.00 H new ATOM 0 HG13 ILE B 38 -0.322 -9.799 0.794 1.00 0.00 H new ATOM 0 HG21 ILE B 38 1.158 -11.848 3.012 1.00 0.00 H new ATOM 0 HG22 ILE B 38 -0.348 -12.557 3.643 1.00 0.00 H new ATOM 0 HG23 ILE B 38 -0.068 -12.478 1.887 1.00 0.00 H new ATOM 0 HD11 ILE B 38 0.579 -7.600 1.516 1.00 0.00 H new ATOM 0 HD12 ILE B 38 -0.974 -7.931 2.319 1.00 0.00 H new ATOM 0 HD13 ILE B 38 0.551 -8.140 3.212 1.00 0.00 H new ATOM 2061 N GLN B 39 -2.659 -12.961 1.966 1.00 0.00 N ATOM 2062 CA GLN B 39 -3.033 -14.036 1.055 1.00 0.00 C ATOM 2063 C GLN B 39 -4.495 -13.920 0.598 1.00 0.00 C ATOM 2064 O GLN B 39 -4.802 -14.108 -0.576 1.00 0.00 O ATOM 2065 CB GLN B 39 -2.745 -15.380 1.735 1.00 0.00 C ATOM 2066 CG GLN B 39 -2.916 -16.553 0.764 1.00 0.00 C ATOM 2067 CD GLN B 39 -2.439 -17.863 1.382 1.00 0.00 C ATOM 2068 OE1 GLN B 39 -1.499 -18.481 0.895 1.00 0.00 O ATOM 2069 NE2 GLN B 39 -3.076 -18.296 2.465 1.00 0.00 N ATOM 0 H GLN B 39 -2.447 -13.268 2.915 1.00 0.00 H new ATOM 0 HA GLN B 39 -2.435 -13.961 0.147 1.00 0.00 H new ATOM 0 HB2 GLN B 39 -1.729 -15.378 2.129 1.00 0.00 H new ATOM 0 HB3 GLN B 39 -3.416 -15.510 2.584 1.00 0.00 H new ATOM 0 HG2 GLN B 39 -3.965 -16.643 0.482 1.00 0.00 H new ATOM 0 HG3 GLN B 39 -2.356 -16.355 -0.150 1.00 0.00 H new ATOM 0 HE21 GLN B 39 -3.855 -17.760 2.847 1.00 0.00 H new ATOM 0 HE22 GLN B 39 -2.786 -19.165 2.914 1.00 0.00 H new ATOM 2078 N LYS B 40 -5.400 -13.645 1.539 1.00 0.00 N ATOM 2079 CA LYS B 40 -6.832 -13.512 1.318 1.00 0.00 C ATOM 2080 C LYS B 40 -7.088 -12.351 0.361 1.00 0.00 C ATOM 2081 O LYS B 40 -7.721 -12.511 -0.679 1.00 0.00 O ATOM 2082 CB LYS B 40 -7.555 -13.219 2.649 1.00 0.00 C ATOM 2083 CG LYS B 40 -7.379 -14.237 3.788 1.00 0.00 C ATOM 2084 CD LYS B 40 -8.581 -15.159 4.008 1.00 0.00 C ATOM 2085 CE LYS B 40 -8.540 -16.314 3.009 1.00 0.00 C ATOM 2086 NZ LYS B 40 -9.694 -17.215 3.176 1.00 0.00 N ATOM 0 H LYS B 40 -5.139 -13.504 2.515 1.00 0.00 H new ATOM 0 HA LYS B 40 -7.209 -14.444 0.898 1.00 0.00 H new ATOM 0 HB2 LYS B 40 -7.216 -12.248 3.010 1.00 0.00 H new ATOM 0 HB3 LYS B 40 -8.621 -13.128 2.440 1.00 0.00 H new ATOM 0 HG2 LYS B 40 -6.502 -14.849 3.579 1.00 0.00 H new ATOM 0 HG3 LYS B 40 -7.178 -13.697 4.713 1.00 0.00 H new ATOM 0 HD2 LYS B 40 -8.571 -15.547 5.027 1.00 0.00 H new ATOM 0 HD3 LYS B 40 -9.508 -14.597 3.890 1.00 0.00 H new ATOM 0 HE2 LYS B 40 -8.531 -15.918 1.994 1.00 0.00 H new ATOM 0 HE3 LYS B 40 -7.616 -16.877 3.140 1.00 0.00 H new ATOM 0 HZ1 LYS B 40 -9.635 -17.988 2.482 1.00 0.00 H new ATOM 0 HZ2 LYS B 40 -9.688 -17.612 4.137 1.00 0.00 H new ATOM 0 HZ3 LYS B 40 -10.575 -16.682 3.026 1.00 0.00 H new ATOM 2100 N GLU B 41 -6.638 -11.160 0.760 1.00 0.00 N ATOM 2101 CA GLU B 41 -6.974 -9.924 0.083 1.00 0.00 C ATOM 2102 C GLU B 41 -6.101 -9.777 -1.163 1.00 0.00 C ATOM 2103 O GLU B 41 -6.618 -9.637 -2.270 1.00 0.00 O ATOM 2104 CB GLU B 41 -6.822 -8.743 1.049 1.00 0.00 C ATOM 2105 CG GLU B 41 -7.601 -8.897 2.368 1.00 0.00 C ATOM 2106 CD GLU B 41 -9.104 -9.091 2.188 1.00 0.00 C ATOM 2107 OE1 GLU B 41 -9.666 -8.427 1.290 1.00 0.00 O ATOM 2108 OE2 GLU B 41 -9.664 -9.888 2.975 1.00 0.00 O ATOM 0 H GLU B 41 -6.027 -11.034 1.567 1.00 0.00 H new ATOM 0 HA GLU B 41 -8.014 -9.939 -0.242 1.00 0.00 H new ATOM 0 HB2 GLU B 41 -5.765 -8.611 1.279 1.00 0.00 H new ATOM 0 HB3 GLU B 41 -7.155 -7.834 0.548 1.00 0.00 H new ATOM 0 HG2 GLU B 41 -7.199 -9.749 2.917 1.00 0.00 H new ATOM 0 HG3 GLU B 41 -7.431 -8.013 2.983 1.00 0.00 H new ATOM 2115 N LEU B 42 -4.776 -9.842 -1.022 1.00 0.00 N ATOM 2116 CA LEU B 42 -3.885 -9.877 -2.175 1.00 0.00 C ATOM 2117 C LEU B 42 -3.783 -11.321 -2.658 1.00 0.00 C ATOM 2118 O LEU B 42 -2.704 -11.908 -2.700 1.00 0.00 O ATOM 2119 CB LEU B 42 -2.521 -9.245 -1.859 1.00 0.00 C ATOM 2120 CG LEU B 42 -2.631 -7.809 -1.321 1.00 0.00 C ATOM 2121 CD1 LEU B 42 -1.226 -7.228 -1.202 1.00 0.00 C ATOM 2122 CD2 LEU B 42 -3.437 -6.903 -2.255 1.00 0.00 C ATOM 0 H LEU B 42 -4.300 -9.871 -0.120 1.00 0.00 H new ATOM 0 HA LEU B 42 -4.293 -9.270 -2.983 1.00 0.00 H new ATOM 0 HB2 LEU B 42 -2.002 -9.863 -1.126 1.00 0.00 H new ATOM 0 HB3 LEU B 42 -1.911 -9.242 -2.762 1.00 0.00 H new ATOM 0 HG LEU B 42 -3.140 -7.851 -0.358 1.00 0.00 H new ATOM 0 HD11 LEU B 42 -1.285 -6.208 -0.821 1.00 0.00 H new ATOM 0 HD12 LEU B 42 -0.637 -7.838 -0.517 1.00 0.00 H new ATOM 0 HD13 LEU B 42 -0.750 -7.222 -2.183 1.00 0.00 H new ATOM 0 HD21 LEU B 42 -3.488 -5.899 -1.834 1.00 0.00 H new ATOM 0 HD22 LEU B 42 -2.952 -6.863 -3.231 1.00 0.00 H new ATOM 0 HD23 LEU B 42 -4.446 -7.301 -2.367 1.00 0.00 H new ATOM 2243 N ASP B 50 8.812 -11.075 -5.752 1.00 0.00 N ATOM 2244 CA ASP B 50 9.157 -11.759 -4.502 1.00 0.00 C ATOM 2245 C ASP B 50 8.399 -11.225 -3.284 1.00 0.00 C ATOM 2246 O ASP B 50 8.145 -11.970 -2.340 1.00 0.00 O ATOM 2247 CB ASP B 50 10.671 -11.706 -4.242 1.00 0.00 C ATOM 2248 CG ASP B 50 11.163 -10.365 -3.701 1.00 0.00 C ATOM 2249 OD1 ASP B 50 11.138 -10.216 -2.462 1.00 0.00 O ATOM 2250 OD2 ASP B 50 11.559 -9.511 -4.524 1.00 0.00 O ATOM 0 HA ASP B 50 8.847 -12.795 -4.639 1.00 0.00 H new ATOM 0 HB2 ASP B 50 10.935 -12.491 -3.533 1.00 0.00 H new ATOM 0 HB3 ASP B 50 11.197 -11.926 -5.171 1.00 0.00 H new ATOM 2255 N ALA B 51 8.066 -9.935 -3.317 1.00 0.00 N ATOM 2256 CA ALA B 51 7.445 -9.166 -2.254 1.00 0.00 C ATOM 2257 C ALA B 51 6.550 -9.987 -1.327 1.00 0.00 C ATOM 2258 O ALA B 51 6.856 -10.128 -0.146 1.00 0.00 O ATOM 2259 CB ALA B 51 6.643 -8.038 -2.899 1.00 0.00 C ATOM 0 H ALA B 51 8.237 -9.367 -4.146 1.00 0.00 H new ATOM 0 HA ALA B 51 8.241 -8.783 -1.615 1.00 0.00 H new ATOM 0 HB1 ALA B 51 6.164 -7.442 -2.122 1.00 0.00 H new ATOM 0 HB2 ALA B 51 7.311 -7.404 -3.483 1.00 0.00 H new ATOM 0 HB3 ALA B 51 5.881 -8.461 -3.553 1.00 0.00 H new ATOM 2265 N GLU B 52 5.432 -10.503 -1.846 1.00 0.00 N ATOM 2266 CA GLU B 52 4.416 -11.135 -1.016 1.00 0.00 C ATOM 2267 C GLU B 52 4.974 -12.403 -0.372 1.00 0.00 C ATOM 2268 O GLU B 52 4.693 -12.702 0.786 1.00 0.00 O ATOM 2269 CB GLU B 52 3.165 -11.437 -1.856 1.00 0.00 C ATOM 2270 CG GLU B 52 1.940 -11.678 -0.962 1.00 0.00 C ATOM 2271 CD GLU B 52 0.737 -12.175 -1.760 1.00 0.00 C ATOM 2272 OE1 GLU B 52 0.473 -11.573 -2.823 1.00 0.00 O ATOM 2273 OE2 GLU B 52 0.130 -13.167 -1.302 1.00 0.00 O ATOM 0 H GLU B 52 5.212 -10.493 -2.842 1.00 0.00 H new ATOM 0 HA GLU B 52 4.129 -10.453 -0.216 1.00 0.00 H new ATOM 0 HB2 GLU B 52 2.967 -10.604 -2.531 1.00 0.00 H new ATOM 0 HB3 GLU B 52 3.344 -12.315 -2.477 1.00 0.00 H new ATOM 0 HG2 GLU B 52 2.191 -12.408 -0.193 1.00 0.00 H new ATOM 0 HG3 GLU B 52 1.678 -10.752 -0.450 1.00 0.00 H new ATOM 2280 N ILE B 53 5.770 -13.149 -1.140 1.00 0.00 N ATOM 2281 CA ILE B 53 6.339 -14.415 -0.724 1.00 0.00 C ATOM 2282 C ILE B 53 7.279 -14.116 0.444 1.00 0.00 C ATOM 2283 O ILE B 53 7.144 -14.678 1.530 1.00 0.00 O ATOM 2284 CB ILE B 53 7.072 -15.092 -1.903 1.00 0.00 C ATOM 2285 CG1 ILE B 53 6.224 -15.291 -3.179 1.00 0.00 C ATOM 2286 CG2 ILE B 53 7.582 -16.470 -1.456 1.00 0.00 C ATOM 2287 CD1 ILE B 53 5.816 -14.011 -3.920 1.00 0.00 C ATOM 0 H ILE B 53 6.037 -12.877 -2.086 1.00 0.00 H new ATOM 0 HA ILE B 53 5.566 -15.115 -0.406 1.00 0.00 H new ATOM 0 HB ILE B 53 7.877 -14.407 -2.169 1.00 0.00 H new ATOM 0 HG12 ILE B 53 6.783 -15.924 -3.868 1.00 0.00 H new ATOM 0 HG13 ILE B 53 5.319 -15.835 -2.909 1.00 0.00 H new ATOM 0 HG21 ILE B 53 8.100 -16.952 -2.285 1.00 0.00 H new ATOM 0 HG22 ILE B 53 8.269 -16.349 -0.619 1.00 0.00 H new ATOM 0 HG23 ILE B 53 6.739 -17.087 -1.147 1.00 0.00 H new ATOM 0 HD11 ILE B 53 5.225 -14.272 -4.798 1.00 0.00 H new ATOM 0 HD12 ILE B 53 5.223 -13.380 -3.258 1.00 0.00 H new ATOM 0 HD13 ILE B 53 6.710 -13.470 -4.232 1.00 0.00 H new ATOM 2299 N VAL B 54 8.217 -13.195 0.219 1.00 0.00 N ATOM 2300 CA VAL B 54 9.168 -12.781 1.232 1.00 0.00 C ATOM 2301 C VAL B 54 8.433 -12.243 2.456 1.00 0.00 C ATOM 2302 O VAL B 54 8.793 -12.620 3.564 1.00 0.00 O ATOM 2303 CB VAL B 54 10.196 -11.802 0.641 1.00 0.00 C ATOM 2304 CG1 VAL B 54 11.098 -11.196 1.725 1.00 0.00 C ATOM 2305 CG2 VAL B 54 11.079 -12.572 -0.351 1.00 0.00 C ATOM 0 H VAL B 54 8.333 -12.719 -0.675 1.00 0.00 H new ATOM 0 HA VAL B 54 9.742 -13.642 1.575 1.00 0.00 H new ATOM 0 HB VAL B 54 9.656 -10.989 0.155 1.00 0.00 H new ATOM 0 HG11 VAL B 54 11.810 -10.510 1.265 1.00 0.00 H new ATOM 0 HG12 VAL B 54 10.486 -10.654 2.446 1.00 0.00 H new ATOM 0 HG13 VAL B 54 11.640 -11.993 2.235 1.00 0.00 H new ATOM 0 HG21 VAL B 54 11.816 -11.895 -0.783 1.00 0.00 H new ATOM 0 HG22 VAL B 54 11.590 -13.382 0.170 1.00 0.00 H new ATOM 0 HG23 VAL B 54 10.458 -12.986 -1.145 1.00 0.00 H new ATOM 2315 N LYS B 55 7.398 -11.413 2.291 1.00 0.00 N ATOM 2316 CA LYS B 55 6.586 -10.965 3.418 1.00 0.00 C ATOM 2317 C LYS B 55 6.041 -12.164 4.196 1.00 0.00 C ATOM 2318 O LYS B 55 6.222 -12.238 5.409 1.00 0.00 O ATOM 2319 CB LYS B 55 5.452 -10.031 2.961 1.00 0.00 C ATOM 2320 CG LYS B 55 5.619 -8.584 3.449 1.00 0.00 C ATOM 2321 CD LYS B 55 6.668 -7.764 2.682 1.00 0.00 C ATOM 2322 CE LYS B 55 8.134 -8.031 3.054 1.00 0.00 C ATOM 2323 NZ LYS B 55 8.389 -7.859 4.496 1.00 0.00 N ATOM 0 H LYS B 55 7.106 -11.040 1.388 1.00 0.00 H new ATOM 0 HA LYS B 55 7.226 -10.389 4.086 1.00 0.00 H new ATOM 0 HB2 LYS B 55 5.404 -10.036 1.872 1.00 0.00 H new ATOM 0 HB3 LYS B 55 4.501 -10.421 3.324 1.00 0.00 H new ATOM 0 HG2 LYS B 55 4.657 -8.077 3.376 1.00 0.00 H new ATOM 0 HG3 LYS B 55 5.891 -8.600 4.504 1.00 0.00 H new ATOM 0 HD2 LYS B 55 6.543 -7.957 1.617 1.00 0.00 H new ATOM 0 HD3 LYS B 55 6.460 -6.706 2.841 1.00 0.00 H new ATOM 0 HE2 LYS B 55 8.402 -9.046 2.759 1.00 0.00 H new ATOM 0 HE3 LYS B 55 8.778 -7.355 2.491 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 9.321 -7.419 4.634 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 7.654 -7.250 4.908 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 8.372 -8.787 4.965 1.00 0.00 H new ATOM 2337 N LEU B 56 5.382 -13.102 3.509 1.00 0.00 N ATOM 2338 CA LEU B 56 4.827 -14.293 4.136 1.00 0.00 C ATOM 2339 C LEU B 56 5.896 -15.052 4.930 1.00 0.00 C ATOM 2340 O LEU B 56 5.632 -15.448 6.064 1.00 0.00 O ATOM 2341 CB LEU B 56 4.154 -15.197 3.089 1.00 0.00 C ATOM 2342 CG LEU B 56 2.799 -14.660 2.599 1.00 0.00 C ATOM 2343 CD1 LEU B 56 2.421 -15.334 1.275 1.00 0.00 C ATOM 2344 CD2 LEU B 56 1.694 -14.937 3.626 1.00 0.00 C ATOM 0 H LEU B 56 5.221 -13.052 2.503 1.00 0.00 H new ATOM 0 HA LEU B 56 4.061 -13.977 4.844 1.00 0.00 H new ATOM 0 HB2 LEU B 56 4.822 -15.311 2.235 1.00 0.00 H new ATOM 0 HB3 LEU B 56 4.010 -16.190 3.516 1.00 0.00 H new ATOM 0 HG LEU B 56 2.894 -13.583 2.461 1.00 0.00 H new ATOM 0 HD11 LEU B 56 1.460 -14.950 0.932 1.00 0.00 H new ATOM 0 HD12 LEU B 56 3.185 -15.121 0.527 1.00 0.00 H new ATOM 0 HD13 LEU B 56 2.349 -16.412 1.423 1.00 0.00 H new ATOM 0 HD21 LEU B 56 0.746 -14.547 3.255 1.00 0.00 H new ATOM 0 HD22 LEU B 56 1.607 -16.012 3.786 1.00 0.00 H new ATOM 0 HD23 LEU B 56 1.943 -14.449 4.569 1.00 0.00 H new ATOM 2356 N MET B 57 7.090 -15.266 4.360 1.00 0.00 N ATOM 2357 CA MET B 57 8.149 -15.971 5.079 1.00 0.00 C ATOM 2358 C MET B 57 8.624 -15.125 6.270 1.00 0.00 C ATOM 2359 O MET B 57 8.566 -15.548 7.423 1.00 0.00 O ATOM 2360 CB MET B 57 9.343 -16.295 4.164 1.00 0.00 C ATOM 2361 CG MET B 57 9.075 -17.099 2.882 1.00 0.00 C ATOM 2362 SD MET B 57 8.078 -18.611 2.962 1.00 0.00 S ATOM 2363 CE MET B 57 6.448 -17.981 2.500 1.00 0.00 C ATOM 0 H MET B 57 7.340 -14.965 3.418 1.00 0.00 H new ATOM 0 HA MET B 57 7.736 -16.914 5.436 1.00 0.00 H new ATOM 0 HB2 MET B 57 9.807 -15.352 3.875 1.00 0.00 H new ATOM 0 HB3 MET B 57 10.076 -16.844 4.755 1.00 0.00 H new ATOM 0 HG2 MET B 57 8.592 -16.428 2.172 1.00 0.00 H new ATOM 0 HG3 MET B 57 10.042 -17.369 2.459 1.00 0.00 H new ATOM 0 HE1 MET B 57 5.822 -18.806 2.161 1.00 0.00 H new ATOM 0 HE2 MET B 57 5.984 -17.504 3.363 1.00 0.00 H new ATOM 0 HE3 MET B 57 6.554 -17.252 1.696 1.00 0.00 H new ATOM 2373 N ASP B 58 9.106 -13.918 5.960 1.00 0.00 N ATOM 2374 CA ASP B 58 9.673 -12.947 6.884 1.00 0.00 C ATOM 2375 C ASP B 58 8.773 -12.743 8.094 1.00 0.00 C ATOM 2376 O ASP B 58 9.271 -12.629 9.210 1.00 0.00 O ATOM 2377 CB ASP B 58 9.886 -11.614 6.152 1.00 0.00 C ATOM 2378 CG ASP B 58 10.371 -10.501 7.075 1.00 0.00 C ATOM 2379 OD1 ASP B 58 11.345 -10.752 7.816 1.00 0.00 O ATOM 2380 OD2 ASP B 58 9.754 -9.414 7.017 1.00 0.00 O ATOM 0 H ASP B 58 9.108 -13.578 4.998 1.00 0.00 H new ATOM 0 HA ASP B 58 10.629 -13.327 7.243 1.00 0.00 H new ATOM 0 HB2 ASP B 58 10.611 -11.757 5.351 1.00 0.00 H new ATOM 0 HB3 ASP B 58 8.950 -11.309 5.684 1.00 0.00 H new ATOM 2385 N ASP B 59 7.456 -12.710 7.869 1.00 0.00 N ATOM 2386 CA ASP B 59 6.428 -12.410 8.852 1.00 0.00 C ATOM 2387 C ASP B 59 6.747 -12.992 10.228 1.00 0.00 C ATOM 2388 O ASP B 59 6.674 -12.267 11.218 1.00 0.00 O ATOM 2389 CB ASP B 59 5.099 -12.993 8.353 1.00 0.00 C ATOM 2390 CG ASP B 59 3.974 -12.825 9.363 1.00 0.00 C ATOM 2391 OD1 ASP B 59 3.294 -11.781 9.283 1.00 0.00 O ATOM 2392 OD2 ASP B 59 3.814 -13.748 10.192 1.00 0.00 O ATOM 0 H ASP B 59 7.065 -12.903 6.947 1.00 0.00 H new ATOM 0 HA ASP B 59 6.372 -11.327 8.965 1.00 0.00 H new ATOM 0 HB2 ASP B 59 4.820 -12.506 7.419 1.00 0.00 H new ATOM 0 HB3 ASP B 59 5.230 -14.052 8.133 1.00 0.00 H new ATOM 2397 N LEU B 60 7.086 -14.279 10.309 1.00 0.00 N ATOM 2398 CA LEU B 60 7.304 -14.917 11.602 1.00 0.00 C ATOM 2399 C LEU B 60 8.478 -14.301 12.371 1.00 0.00 C ATOM 2400 O LEU B 60 8.419 -14.196 13.593 1.00 0.00 O ATOM 2401 CB LEU B 60 7.424 -16.439 11.426 1.00 0.00 C ATOM 2402 CG LEU B 60 8.669 -16.889 10.637 1.00 0.00 C ATOM 2403 CD1 LEU B 60 9.807 -17.310 11.576 1.00 0.00 C ATOM 2404 CD2 LEU B 60 8.314 -18.074 9.732 1.00 0.00 C ATOM 0 H LEU B 60 7.214 -14.892 9.504 1.00 0.00 H new ATOM 0 HA LEU B 60 6.433 -14.728 12.229 1.00 0.00 H new ATOM 0 HB2 LEU B 60 7.443 -16.907 12.410 1.00 0.00 H new ATOM 0 HB3 LEU B 60 6.533 -16.806 10.916 1.00 0.00 H new ATOM 0 HG LEU B 60 9.003 -16.041 10.038 1.00 0.00 H new ATOM 0 HD11 LEU B 60 10.669 -17.621 10.986 1.00 0.00 H new ATOM 0 HD12 LEU B 60 10.086 -16.468 12.210 1.00 0.00 H new ATOM 0 HD13 LEU B 60 9.476 -18.140 12.200 1.00 0.00 H new ATOM 0 HD21 LEU B 60 9.199 -18.386 9.178 1.00 0.00 H new ATOM 0 HD22 LEU B 60 7.957 -18.903 10.342 1.00 0.00 H new ATOM 0 HD23 LEU B 60 7.534 -17.776 9.032 1.00 0.00 H new ATOM 2416 N ASP B 61 9.535 -13.884 11.667 1.00 0.00 N ATOM 2417 CA ASP B 61 10.700 -13.253 12.275 1.00 0.00 C ATOM 2418 C ASP B 61 10.474 -11.753 12.429 1.00 0.00 C ATOM 2419 O ASP B 61 10.964 -11.156 13.378 1.00 0.00 O ATOM 2420 CB ASP B 61 11.948 -13.522 11.428 1.00 0.00 C ATOM 2421 CG ASP B 61 13.175 -12.860 12.050 1.00 0.00 C ATOM 2422 OD1 ASP B 61 13.694 -13.436 13.031 1.00 0.00 O ATOM 2423 OD2 ASP B 61 13.566 -11.786 11.543 1.00 0.00 O ATOM 0 H ASP B 61 9.602 -13.977 10.654 1.00 0.00 H new ATOM 0 HA ASP B 61 10.851 -13.681 13.266 1.00 0.00 H new ATOM 0 HB2 ASP B 61 12.112 -14.596 11.344 1.00 0.00 H new ATOM 0 HB3 ASP B 61 11.797 -13.142 10.418 1.00 0.00 H new ATOM 2428 N ARG B 62 9.739 -11.133 11.506 1.00 0.00 N ATOM 2429 CA ARG B 62 9.376 -9.731 11.608 1.00 0.00 C ATOM 2430 C ARG B 62 8.592 -9.523 12.905 1.00 0.00 C ATOM 2431 O ARG B 62 8.956 -8.727 13.768 1.00 0.00 O ATOM 2432 CB ARG B 62 8.535 -9.333 10.384 1.00 0.00 C ATOM 2433 CG ARG B 62 8.500 -7.810 10.230 1.00 0.00 C ATOM 2434 CD ARG B 62 7.352 -7.330 9.339 1.00 0.00 C ATOM 2435 NE ARG B 62 6.070 -7.413 10.059 1.00 0.00 N ATOM 2436 CZ ARG B 62 5.114 -6.470 10.100 1.00 0.00 C ATOM 2437 NH1 ARG B 62 5.182 -5.366 9.348 1.00 0.00 N ATOM 2438 NH2 ARG B 62 4.068 -6.629 10.913 1.00 0.00 N ATOM 0 H ARG B 62 9.382 -11.594 10.669 1.00 0.00 H new ATOM 0 HA ARG B 62 10.267 -9.103 11.628 1.00 0.00 H new ATOM 0 HB2 ARG B 62 8.953 -9.786 9.485 1.00 0.00 H new ATOM 0 HB3 ARG B 62 7.521 -9.717 10.492 1.00 0.00 H new ATOM 0 HG2 ARG B 62 8.406 -7.352 11.215 1.00 0.00 H new ATOM 0 HG3 ARG B 62 9.447 -7.470 9.810 1.00 0.00 H new ATOM 0 HD2 ARG B 62 7.533 -6.302 9.025 1.00 0.00 H new ATOM 0 HD3 ARG B 62 7.308 -7.937 8.435 1.00 0.00 H new ATOM 0 HE ARG B 62 5.890 -8.272 10.578 1.00 0.00 H new ATOM 0 HH11 ARG B 62 5.975 -5.223 8.722 1.00 0.00 H new ATOM 0 HH12 ARG B 62 4.441 -4.667 9.400 1.00 0.00 H new ATOM 0 HH21 ARG B 62 3.998 -7.462 11.498 1.00 0.00 H new ATOM 0 HH22 ARG B 62 3.338 -5.918 10.950 1.00 0.00 H new ATOM 2452 N ASN B 63 7.502 -10.275 13.042 1.00 0.00 N ATOM 2453 CA ASN B 63 6.540 -10.129 14.117 1.00 0.00 C ATOM 2454 C ASN B 63 7.013 -10.909 15.342 1.00 0.00 C ATOM 2455 O ASN B 63 6.282 -11.755 15.854 1.00 0.00 O ATOM 2456 CB ASN B 63 5.172 -10.627 13.636 1.00 0.00 C ATOM 2457 CG ASN B 63 4.601 -9.782 12.498 1.00 0.00 C ATOM 2458 OD1 ASN B 63 3.952 -8.766 12.713 1.00 0.00 O ATOM 2459 ND2 ASN B 63 4.831 -10.191 11.258 1.00 0.00 N ATOM 0 H ASN B 63 7.263 -11.020 12.388 1.00 0.00 H new ATOM 0 HA ASN B 63 6.449 -9.080 14.400 1.00 0.00 H new ATOM 0 HB2 ASN B 63 5.263 -11.661 13.304 1.00 0.00 H new ATOM 0 HB3 ASN B 63 4.473 -10.621 14.473 1.00 0.00 H new ATOM 0 HD21 ASN B 63 4.466 -9.658 10.469 1.00 0.00 H new ATOM 0 HD22 ASN B 63 5.373 -11.039 11.093 1.00 0.00 H new ATOM 2517 N GLU B 67 1.985 -10.218 18.097 1.00 0.00 N ATOM 2518 CA GLU B 67 1.033 -9.206 17.672 1.00 0.00 C ATOM 2519 C GLU B 67 1.752 -7.960 17.167 1.00 0.00 C ATOM 2520 O GLU B 67 2.887 -7.695 17.560 1.00 0.00 O ATOM 2521 CB GLU B 67 0.069 -8.834 18.805 1.00 0.00 C ATOM 2522 CG GLU B 67 -0.794 -10.018 19.253 1.00 0.00 C ATOM 2523 CD GLU B 67 -2.041 -9.545 19.993 1.00 0.00 C ATOM 2524 OE1 GLU B 67 -2.920 -8.977 19.308 1.00 0.00 O ATOM 2525 OE2 GLU B 67 -2.087 -9.747 21.225 1.00 0.00 O ATOM 0 HA GLU B 67 0.451 -9.630 16.854 1.00 0.00 H new ATOM 0 HB2 GLU B 67 0.640 -8.462 19.656 1.00 0.00 H new ATOM 0 HB3 GLU B 67 -0.578 -8.021 18.475 1.00 0.00 H new ATOM 0 HG2 GLU B 67 -1.086 -10.608 18.384 1.00 0.00 H new ATOM 0 HG3 GLU B 67 -0.210 -10.672 19.901 1.00 0.00 H new ATOM 2532 N VAL B 68 1.067 -7.183 16.326 1.00 0.00 N ATOM 2533 CA VAL B 68 1.489 -5.853 15.917 1.00 0.00 C ATOM 2534 C VAL B 68 0.291 -4.913 15.933 1.00 0.00 C ATOM 2535 O VAL B 68 -0.858 -5.357 15.899 1.00 0.00 O ATOM 2536 CB VAL B 68 2.146 -5.853 14.528 1.00 0.00 C ATOM 2537 CG1 VAL B 68 3.554 -6.446 14.592 1.00 0.00 C ATOM 2538 CG2 VAL B 68 1.294 -6.544 13.461 1.00 0.00 C ATOM 0 H VAL B 68 0.185 -7.472 15.904 1.00 0.00 H new ATOM 0 HA VAL B 68 2.241 -5.508 16.626 1.00 0.00 H new ATOM 0 HB VAL B 68 2.225 -4.811 14.219 1.00 0.00 H new ATOM 0 HG11 VAL B 68 3.999 -6.435 13.597 1.00 0.00 H new ATOM 0 HG12 VAL B 68 4.168 -5.853 15.270 1.00 0.00 H new ATOM 0 HG13 VAL B 68 3.500 -7.473 14.954 1.00 0.00 H new ATOM 0 HG21 VAL B 68 1.813 -6.510 12.503 1.00 0.00 H new ATOM 0 HG22 VAL B 68 1.125 -7.582 13.746 1.00 0.00 H new ATOM 0 HG23 VAL B 68 0.336 -6.032 13.373 1.00 0.00 H new ATOM 2548 N ASN B 69 0.595 -3.615 15.990 1.00 0.00 N ATOM 2549 CA ASN B 69 -0.353 -2.515 15.900 1.00 0.00 C ATOM 2550 C ASN B 69 -0.621 -2.146 14.445 1.00 0.00 C ATOM 2551 O ASN B 69 0.103 -2.565 13.540 1.00 0.00 O ATOM 2552 CB ASN B 69 0.198 -1.293 16.644 1.00 0.00 C ATOM 2553 CG ASN B 69 1.483 -0.778 16.002 1.00 0.00 C ATOM 2554 OD1 ASN B 69 1.461 -0.187 14.925 1.00 0.00 O ATOM 2555 ND2 ASN B 69 2.619 -1.036 16.637 1.00 0.00 N ATOM 0 H ASN B 69 1.556 -3.292 16.106 1.00 0.00 H new ATOM 0 HA ASN B 69 -1.290 -2.833 16.357 1.00 0.00 H new ATOM 0 HB2 ASN B 69 -0.550 -0.501 16.648 1.00 0.00 H new ATOM 0 HB3 ASN B 69 0.390 -1.556 17.684 1.00 0.00 H new ATOM 0 HD21 ASN B 69 3.508 -0.742 16.232 1.00 0.00 H new ATOM 0 HD22 ASN B 69 2.604 -1.529 17.530 1.00 0.00 H new ATOM 2562 N PHE B 70 -1.640 -1.306 14.251 1.00 0.00 N ATOM 2563 CA PHE B 70 -2.003 -0.717 12.972 1.00 0.00 C ATOM 2564 C PHE B 70 -0.794 -0.290 12.124 1.00 0.00 C ATOM 2565 O PHE B 70 -0.639 -0.774 11.008 1.00 0.00 O ATOM 2566 CB PHE B 70 -2.973 0.443 13.211 1.00 0.00 C ATOM 2567 CG PHE B 70 -3.437 1.127 11.941 1.00 0.00 C ATOM 2568 CD1 PHE B 70 -4.275 0.442 11.041 1.00 0.00 C ATOM 2569 CD2 PHE B 70 -3.000 2.429 11.635 1.00 0.00 C ATOM 2570 CE1 PHE B 70 -4.694 1.065 9.854 1.00 0.00 C ATOM 2571 CE2 PHE B 70 -3.420 3.051 10.449 1.00 0.00 C ATOM 2572 CZ PHE B 70 -4.266 2.371 9.556 1.00 0.00 C ATOM 0 H PHE B 70 -2.253 -1.010 15.011 1.00 0.00 H new ATOM 0 HA PHE B 70 -2.495 -1.488 12.380 1.00 0.00 H new ATOM 0 HB2 PHE B 70 -3.844 0.070 13.750 1.00 0.00 H new ATOM 0 HB3 PHE B 70 -2.491 1.180 13.854 1.00 0.00 H new ATOM 0 HD1 PHE B 70 -4.596 -0.565 11.264 1.00 0.00 H new ATOM 0 HD2 PHE B 70 -2.341 2.950 12.313 1.00 0.00 H new ATOM 0 HE1 PHE B 70 -5.345 0.541 9.170 1.00 0.00 H new ATOM 0 HE2 PHE B 70 -3.092 4.055 10.222 1.00 0.00 H new ATOM 0 HZ PHE B 70 -4.587 2.850 8.643 1.00 0.00 H new ATOM 2582 N GLN B 71 0.077 0.600 12.611 1.00 0.00 N ATOM 2583 CA GLN B 71 1.163 1.115 11.777 1.00 0.00 C ATOM 2584 C GLN B 71 2.099 -0.014 11.337 1.00 0.00 C ATOM 2585 O GLN B 71 2.541 -0.049 10.188 1.00 0.00 O ATOM 2586 CB GLN B 71 1.944 2.218 12.502 1.00 0.00 C ATOM 2587 CG GLN B 71 2.862 2.997 11.542 1.00 0.00 C ATOM 2588 CD GLN B 71 2.085 3.957 10.649 1.00 0.00 C ATOM 2589 OE1 GLN B 71 1.624 4.995 11.113 1.00 0.00 O ATOM 2590 NE2 GLN B 71 1.952 3.645 9.361 1.00 0.00 N ATOM 0 H GLN B 71 0.052 0.972 13.560 1.00 0.00 H new ATOM 0 HA GLN B 71 0.716 1.552 10.884 1.00 0.00 H new ATOM 0 HB2 GLN B 71 1.244 2.907 12.975 1.00 0.00 H new ATOM 0 HB3 GLN B 71 2.543 1.776 13.298 1.00 0.00 H new ATOM 0 HG2 GLN B 71 3.597 3.557 12.120 1.00 0.00 H new ATOM 0 HG3 GLN B 71 3.415 2.293 10.920 1.00 0.00 H new ATOM 0 HE21 GLN B 71 2.346 2.775 9.004 1.00 0.00 H new ATOM 0 HE22 GLN B 71 1.456 4.276 8.732 1.00 0.00 H new ATOM 2599 N GLU B 72 2.410 -0.947 12.238 1.00 0.00 N ATOM 2600 CA GLU B 72 3.258 -2.080 11.891 1.00 0.00 C ATOM 2601 C GLU B 72 2.543 -3.017 10.908 1.00 0.00 C ATOM 2602 O GLU B 72 3.189 -3.584 10.024 1.00 0.00 O ATOM 2603 CB GLU B 72 3.777 -2.771 13.157 1.00 0.00 C ATOM 2604 CG GLU B 72 5.095 -2.145 13.645 1.00 0.00 C ATOM 2605 CD GLU B 72 4.998 -0.648 13.937 1.00 0.00 C ATOM 2606 OE1 GLU B 72 5.139 0.139 12.976 1.00 0.00 O ATOM 2607 OE2 GLU B 72 4.794 -0.315 15.125 1.00 0.00 O ATOM 0 H GLU B 72 2.088 -0.938 13.206 1.00 0.00 H new ATOM 0 HA GLU B 72 4.143 -1.726 11.362 1.00 0.00 H new ATOM 0 HB2 GLU B 72 3.027 -2.700 13.944 1.00 0.00 H new ATOM 0 HB3 GLU B 72 3.930 -3.832 12.957 1.00 0.00 H new ATOM 0 HG2 GLU B 72 5.418 -2.661 14.549 1.00 0.00 H new ATOM 0 HG3 GLU B 72 5.865 -2.309 12.891 1.00 0.00 H new ATOM 2614 N TYR B 73 1.217 -3.160 11.012 1.00 0.00 N ATOM 2615 CA TYR B 73 0.440 -3.832 9.975 1.00 0.00 C ATOM 2616 C TYR B 73 0.663 -3.110 8.641 1.00 0.00 C ATOM 2617 O TYR B 73 1.082 -3.726 7.662 1.00 0.00 O ATOM 2618 CB TYR B 73 -1.054 -3.908 10.346 1.00 0.00 C ATOM 2619 CG TYR B 73 -2.042 -3.687 9.206 1.00 0.00 C ATOM 2620 CD1 TYR B 73 -2.248 -4.684 8.233 1.00 0.00 C ATOM 2621 CD2 TYR B 73 -2.757 -2.476 9.111 1.00 0.00 C ATOM 2622 CE1 TYR B 73 -3.205 -4.493 7.217 1.00 0.00 C ATOM 2623 CE2 TYR B 73 -3.695 -2.279 8.083 1.00 0.00 C ATOM 2624 CZ TYR B 73 -3.955 -3.307 7.163 1.00 0.00 C ATOM 2625 OH TYR B 73 -4.961 -3.178 6.251 1.00 0.00 O ATOM 0 H TYR B 73 0.666 -2.820 11.800 1.00 0.00 H new ATOM 0 HA TYR B 73 0.781 -4.863 9.880 1.00 0.00 H new ATOM 0 HB2 TYR B 73 -1.249 -4.887 10.784 1.00 0.00 H new ATOM 0 HB3 TYR B 73 -1.253 -3.167 11.120 1.00 0.00 H new ATOM 0 HD1 TYR B 73 -1.671 -5.597 8.266 1.00 0.00 H new ATOM 0 HD2 TYR B 73 -2.583 -1.693 9.834 1.00 0.00 H new ATOM 0 HE1 TYR B 73 -3.363 -5.263 6.476 1.00 0.00 H new ATOM 0 HE2 TYR B 73 -4.216 -1.336 8.001 1.00 0.00 H new ATOM 0 HH TYR B 73 -5.578 -2.474 6.542 1.00 0.00 H new ATOM 2635 N ILE B 74 0.411 -1.798 8.607 1.00 0.00 N ATOM 2636 CA ILE B 74 0.587 -0.991 7.407 1.00 0.00 C ATOM 2637 C ILE B 74 1.994 -1.191 6.846 1.00 0.00 C ATOM 2638 O ILE B 74 2.156 -1.332 5.640 1.00 0.00 O ATOM 2639 CB ILE B 74 0.314 0.500 7.682 1.00 0.00 C ATOM 2640 CG1 ILE B 74 -1.135 0.801 8.118 1.00 0.00 C ATOM 2641 CG2 ILE B 74 0.645 1.323 6.441 1.00 0.00 C ATOM 2642 CD1 ILE B 74 -2.167 0.686 6.991 1.00 0.00 C ATOM 0 H ILE B 74 0.079 -1.270 9.414 1.00 0.00 H new ATOM 0 HA ILE B 74 -0.140 -1.321 6.665 1.00 0.00 H new ATOM 0 HB ILE B 74 0.957 0.775 8.518 1.00 0.00 H new ATOM 0 HG12 ILE B 74 -1.411 0.116 8.920 1.00 0.00 H new ATOM 0 HG13 ILE B 74 -1.176 1.809 8.532 1.00 0.00 H new ATOM 0 HG21 ILE B 74 0.450 2.377 6.641 1.00 0.00 H new ATOM 0 HG22 ILE B 74 1.696 1.190 6.186 1.00 0.00 H new ATOM 0 HG23 ILE B 74 0.025 0.991 5.608 1.00 0.00 H new ATOM 0 HD11 ILE B 74 -3.159 0.913 7.381 1.00 0.00 H new ATOM 0 HD12 ILE B 74 -1.919 1.391 6.197 1.00 0.00 H new ATOM 0 HD13 ILE B 74 -2.158 -0.328 6.591 1.00 0.00 H new ATOM 2654 N THR B 75 3.012 -1.219 7.705 1.00 0.00 N ATOM 2655 CA THR B 75 4.392 -1.437 7.287 1.00 0.00 C ATOM 2656 C THR B 75 4.535 -2.738 6.487 1.00 0.00 C ATOM 2657 O THR B 75 5.295 -2.784 5.521 1.00 0.00 O ATOM 2658 CB THR B 75 5.329 -1.368 8.502 1.00 0.00 C ATOM 2659 OG1 THR B 75 5.138 -0.137 9.172 1.00 0.00 O ATOM 2660 CG2 THR B 75 6.801 -1.450 8.091 1.00 0.00 C ATOM 0 H THR B 75 2.901 -1.091 8.711 1.00 0.00 H new ATOM 0 HA THR B 75 4.689 -0.638 6.607 1.00 0.00 H new ATOM 0 HB THR B 75 5.091 -2.215 9.145 1.00 0.00 H new ATOM 0 HG1 THR B 75 4.269 -0.143 9.625 1.00 0.00 H new ATOM 0 HG21 THR B 75 7.430 -1.398 8.979 1.00 0.00 H new ATOM 0 HG22 THR B 75 6.982 -2.392 7.573 1.00 0.00 H new ATOM 0 HG23 THR B 75 7.040 -0.619 7.427 1.00 0.00 H new ATOM 2668 N PHE B 76 3.786 -3.784 6.849 1.00 0.00 N ATOM 2669 CA PHE B 76 3.766 -5.031 6.091 1.00 0.00 C ATOM 2670 C PHE B 76 3.323 -4.744 4.650 1.00 0.00 C ATOM 2671 O PHE B 76 4.020 -5.080 3.690 1.00 0.00 O ATOM 2672 CB PHE B 76 2.841 -6.040 6.796 1.00 0.00 C ATOM 2673 CG PHE B 76 3.058 -7.495 6.434 1.00 0.00 C ATOM 2674 CD1 PHE B 76 4.216 -8.159 6.884 1.00 0.00 C ATOM 2675 CD2 PHE B 76 2.030 -8.229 5.815 1.00 0.00 C ATOM 2676 CE1 PHE B 76 4.361 -9.542 6.678 1.00 0.00 C ATOM 2677 CE2 PHE B 76 2.170 -9.614 5.622 1.00 0.00 C ATOM 2678 CZ PHE B 76 3.337 -10.268 6.047 1.00 0.00 C ATOM 0 H PHE B 76 3.182 -3.787 7.671 1.00 0.00 H new ATOM 0 HA PHE B 76 4.763 -5.470 6.047 1.00 0.00 H new ATOM 0 HB2 PHE B 76 2.968 -5.930 7.873 1.00 0.00 H new ATOM 0 HB3 PHE B 76 1.808 -5.778 6.568 1.00 0.00 H new ATOM 0 HD1 PHE B 76 4.994 -7.605 7.388 1.00 0.00 H new ATOM 0 HD2 PHE B 76 1.131 -7.727 5.487 1.00 0.00 H new ATOM 0 HE1 PHE B 76 5.259 -10.046 7.004 1.00 0.00 H new ATOM 0 HE2 PHE B 76 1.379 -10.175 5.146 1.00 0.00 H new ATOM 0 HZ PHE B 76 3.448 -11.331 5.889 1.00 0.00 H new ATOM 2688 N LEU B 77 2.173 -4.072 4.509 1.00 0.00 N ATOM 2689 CA LEU B 77 1.625 -3.695 3.209 1.00 0.00 C ATOM 2690 C LEU B 77 2.587 -2.781 2.448 1.00 0.00 C ATOM 2691 O LEU B 77 2.771 -2.938 1.246 1.00 0.00 O ATOM 2692 CB LEU B 77 0.266 -2.992 3.354 1.00 0.00 C ATOM 2693 CG LEU B 77 -0.817 -3.784 4.102 1.00 0.00 C ATOM 2694 CD1 LEU B 77 -2.138 -3.017 3.980 1.00 0.00 C ATOM 2695 CD2 LEU B 77 -0.998 -5.197 3.536 1.00 0.00 C ATOM 0 H LEU B 77 1.599 -3.776 5.298 1.00 0.00 H new ATOM 0 HA LEU B 77 1.486 -4.617 2.645 1.00 0.00 H new ATOM 0 HB2 LEU B 77 0.421 -2.045 3.872 1.00 0.00 H new ATOM 0 HB3 LEU B 77 -0.107 -2.753 2.358 1.00 0.00 H new ATOM 0 HG LEU B 77 -0.511 -3.889 5.143 1.00 0.00 H new ATOM 0 HD11 LEU B 77 -2.924 -3.561 4.504 1.00 0.00 H new ATOM 0 HD12 LEU B 77 -2.026 -2.027 4.421 1.00 0.00 H new ATOM 0 HD13 LEU B 77 -2.405 -2.918 2.928 1.00 0.00 H new ATOM 0 HD21 LEU B 77 -1.774 -5.717 4.098 1.00 0.00 H new ATOM 0 HD22 LEU B 77 -1.289 -5.134 2.487 1.00 0.00 H new ATOM 0 HD23 LEU B 77 -0.060 -5.746 3.620 1.00 0.00 H new ATOM 2707 N GLY B 78 3.182 -1.807 3.134 1.00 0.00 N ATOM 2708 CA GLY B 78 4.062 -0.822 2.536 1.00 0.00 C ATOM 2709 C GLY B 78 5.327 -1.480 1.996 1.00 0.00 C ATOM 2710 O GLY B 78 5.716 -1.225 0.859 1.00 0.00 O ATOM 0 H GLY B 78 3.060 -1.684 4.139 1.00 0.00 H new ATOM 0 HA2 GLY B 78 3.542 -0.307 1.728 1.00 0.00 H new ATOM 0 HA3 GLY B 78 4.327 -0.068 3.277 1.00 0.00 H new ATOM 2714 N ALA B 79 5.957 -2.351 2.784 1.00 0.00 N ATOM 2715 CA ALA B 79 7.121 -3.105 2.343 1.00 0.00 C ATOM 2716 C ALA B 79 6.763 -3.998 1.151 1.00 0.00 C ATOM 2717 O ALA B 79 7.475 -4.014 0.150 1.00 0.00 O ATOM 2718 CB ALA B 79 7.667 -3.914 3.522 1.00 0.00 C ATOM 0 H ALA B 79 5.673 -2.551 3.743 1.00 0.00 H new ATOM 0 HA ALA B 79 7.900 -2.422 2.003 1.00 0.00 H new ATOM 0 HB1 ALA B 79 8.540 -4.482 3.200 1.00 0.00 H new ATOM 0 HB2 ALA B 79 7.952 -3.237 4.327 1.00 0.00 H new ATOM 0 HB3 ALA B 79 6.899 -4.600 3.879 1.00 0.00 H new ATOM 2724 N LEU B 80 5.647 -4.728 1.239 1.00 0.00 N ATOM 2725 CA LEU B 80 5.125 -5.530 0.134 1.00 0.00 C ATOM 2726 C LEU B 80 5.010 -4.667 -1.133 1.00 0.00 C ATOM 2727 O LEU B 80 5.605 -4.961 -2.178 1.00 0.00 O ATOM 2728 CB LEU B 80 3.801 -6.156 0.618 1.00 0.00 C ATOM 2729 CG LEU B 80 2.898 -6.894 -0.380 1.00 0.00 C ATOM 2730 CD1 LEU B 80 1.870 -5.970 -1.030 1.00 0.00 C ATOM 2731 CD2 LEU B 80 3.658 -7.672 -1.443 1.00 0.00 C ATOM 0 H LEU B 80 5.079 -4.778 2.085 1.00 0.00 H new ATOM 0 HA LEU B 80 5.791 -6.345 -0.150 1.00 0.00 H new ATOM 0 HB2 LEU B 80 4.045 -6.857 1.416 1.00 0.00 H new ATOM 0 HB3 LEU B 80 3.208 -5.358 1.065 1.00 0.00 H new ATOM 0 HG LEU B 80 2.367 -7.628 0.226 1.00 0.00 H new ATOM 0 HD11 LEU B 80 1.257 -6.541 -1.727 1.00 0.00 H new ATOM 0 HD12 LEU B 80 1.234 -5.535 -0.260 1.00 0.00 H new ATOM 0 HD13 LEU B 80 2.385 -5.174 -1.568 1.00 0.00 H new ATOM 0 HD21 LEU B 80 2.950 -8.165 -2.109 1.00 0.00 H new ATOM 0 HD22 LEU B 80 4.281 -6.988 -2.019 1.00 0.00 H new ATOM 0 HD23 LEU B 80 4.288 -8.422 -0.964 1.00 0.00 H new ATOM 2743 N ALA B 81 4.272 -3.564 -1.012 1.00 0.00 N ATOM 2744 CA ALA B 81 4.066 -2.602 -2.078 1.00 0.00 C ATOM 2745 C ALA B 81 5.402 -2.154 -2.657 1.00 0.00 C ATOM 2746 O ALA B 81 5.564 -2.161 -3.873 1.00 0.00 O ATOM 2747 CB ALA B 81 3.265 -1.411 -1.551 1.00 0.00 C ATOM 0 H ALA B 81 3.792 -3.315 -0.147 1.00 0.00 H new ATOM 0 HA ALA B 81 3.498 -3.072 -2.881 1.00 0.00 H new ATOM 0 HB1 ALA B 81 3.113 -0.691 -2.355 1.00 0.00 H new ATOM 0 HB2 ALA B 81 2.298 -1.756 -1.185 1.00 0.00 H new ATOM 0 HB3 ALA B 81 3.813 -0.936 -0.737 1.00 0.00 H new ATOM 2753 N MET B 82 6.348 -1.772 -1.798 1.00 0.00 N ATOM 2754 CA MET B 82 7.670 -1.323 -2.196 1.00 0.00 C ATOM 2755 C MET B 82 8.393 -2.400 -3.006 1.00 0.00 C ATOM 2756 O MET B 82 8.945 -2.108 -4.064 1.00 0.00 O ATOM 2757 CB MET B 82 8.459 -0.898 -0.949 1.00 0.00 C ATOM 2758 CG MET B 82 9.840 -0.328 -1.299 1.00 0.00 C ATOM 2759 SD MET B 82 10.875 0.169 0.103 1.00 0.00 S ATOM 2760 CE MET B 82 9.839 1.440 0.858 1.00 0.00 C ATOM 0 H MET B 82 6.207 -1.768 -0.788 1.00 0.00 H new ATOM 0 HA MET B 82 7.581 -0.456 -2.851 1.00 0.00 H new ATOM 0 HB2 MET B 82 7.889 -0.150 -0.399 1.00 0.00 H new ATOM 0 HB3 MET B 82 8.580 -1.756 -0.288 1.00 0.00 H new ATOM 0 HG2 MET B 82 10.383 -1.075 -1.879 1.00 0.00 H new ATOM 0 HG3 MET B 82 9.700 0.538 -1.946 1.00 0.00 H new ATOM 0 HE1 MET B 82 10.414 1.978 1.612 1.00 0.00 H new ATOM 0 HE2 MET B 82 9.503 2.138 0.091 1.00 0.00 H new ATOM 0 HE3 MET B 82 8.973 0.972 1.327 1.00 0.00 H new ATOM 2770 N ILE B 83 8.422 -3.640 -2.509 1.00 0.00 N ATOM 2771 CA ILE B 83 9.173 -4.690 -3.180 1.00 0.00 C ATOM 2772 C ILE B 83 8.586 -4.995 -4.565 1.00 0.00 C ATOM 2773 O ILE B 83 9.368 -5.183 -5.501 1.00 0.00 O ATOM 2774 CB ILE B 83 9.349 -5.945 -2.304 1.00 0.00 C ATOM 2775 CG1 ILE B 83 10.209 -5.662 -1.060 1.00 0.00 C ATOM 2776 CG2 ILE B 83 10.039 -7.046 -3.126 1.00 0.00 C ATOM 2777 CD1 ILE B 83 10.293 -6.881 -0.126 1.00 0.00 C ATOM 0 H ILE B 83 7.941 -3.933 -1.658 1.00 0.00 H new ATOM 0 HA ILE B 83 10.183 -4.314 -3.344 1.00 0.00 H new ATOM 0 HB ILE B 83 8.358 -6.258 -1.977 1.00 0.00 H new ATOM 0 HG12 ILE B 83 11.213 -5.375 -1.372 1.00 0.00 H new ATOM 0 HG13 ILE B 83 9.790 -4.816 -0.515 1.00 0.00 H new ATOM 0 HG21 ILE B 83 10.165 -7.936 -2.509 1.00 0.00 H new ATOM 0 HG22 ILE B 83 9.426 -7.290 -3.994 1.00 0.00 H new ATOM 0 HG23 ILE B 83 11.015 -6.694 -3.459 1.00 0.00 H new ATOM 0 HD11 ILE B 83 10.910 -6.635 0.738 1.00 0.00 H new ATOM 0 HD12 ILE B 83 9.292 -7.153 0.208 1.00 0.00 H new ATOM 0 HD13 ILE B 83 10.737 -7.720 -0.662 1.00 0.00 H new ATOM 2789 N TYR B 84 7.252 -5.089 -4.720 1.00 0.00 N ATOM 2790 CA TYR B 84 6.712 -5.353 -6.061 1.00 0.00 C ATOM 2791 C TYR B 84 6.658 -4.111 -6.956 1.00 0.00 C ATOM 2792 O TYR B 84 7.033 -4.189 -8.126 1.00 0.00 O ATOM 2793 CB TYR B 84 5.511 -6.316 -6.125 1.00 0.00 C ATOM 2794 CG TYR B 84 4.211 -6.075 -5.381 1.00 0.00 C ATOM 2795 CD1 TYR B 84 3.462 -4.904 -5.594 1.00 0.00 C ATOM 2796 CD2 TYR B 84 3.558 -7.213 -4.866 1.00 0.00 C ATOM 2797 CE1 TYR B 84 2.101 -4.855 -5.234 1.00 0.00 C ATOM 2798 CE2 TYR B 84 2.207 -7.168 -4.498 1.00 0.00 C ATOM 2799 CZ TYR B 84 1.468 -5.988 -4.694 1.00 0.00 C ATOM 2800 OH TYR B 84 0.129 -5.977 -4.435 1.00 0.00 O ATOM 0 H TYR B 84 6.562 -4.992 -3.975 1.00 0.00 H new ATOM 0 HA TYR B 84 7.468 -5.971 -6.546 1.00 0.00 H new ATOM 0 HB2 TYR B 84 5.250 -6.413 -7.179 1.00 0.00 H new ATOM 0 HB3 TYR B 84 5.878 -7.289 -5.797 1.00 0.00 H new ATOM 0 HD1 TYR B 84 3.933 -4.038 -6.036 1.00 0.00 H new ATOM 0 HD2 TYR B 84 4.108 -8.135 -4.753 1.00 0.00 H new ATOM 0 HE1 TYR B 84 1.541 -3.942 -5.374 1.00 0.00 H new ATOM 0 HE2 TYR B 84 1.734 -8.037 -4.065 1.00 0.00 H new ATOM 0 HH TYR B 84 -0.331 -5.437 -5.111 1.00 0.00 H new ATOM 2810 N ASN B 85 6.282 -2.943 -6.429 1.00 0.00 N ATOM 2811 CA ASN B 85 6.405 -1.692 -7.175 1.00 0.00 C ATOM 2812 C ASN B 85 7.859 -1.241 -7.102 1.00 0.00 C ATOM 2813 O ASN B 85 8.163 -0.250 -6.444 1.00 0.00 O ATOM 2814 CB ASN B 85 5.487 -0.583 -6.640 1.00 0.00 C ATOM 2815 CG ASN B 85 4.011 -0.935 -6.722 1.00 0.00 C ATOM 2816 OD1 ASN B 85 3.345 -0.664 -7.715 1.00 0.00 O ATOM 2817 ND2 ASN B 85 3.481 -1.519 -5.656 1.00 0.00 N ATOM 0 H ASN B 85 5.892 -2.839 -5.492 1.00 0.00 H new ATOM 0 HA ASN B 85 6.096 -1.876 -8.204 1.00 0.00 H new ATOM 0 HB2 ASN B 85 5.747 -0.375 -5.602 1.00 0.00 H new ATOM 0 HB3 ASN B 85 5.667 0.332 -7.204 1.00 0.00 H new ATOM 0 HD21 ASN B 85 2.489 -1.757 -5.645 1.00 0.00 H new ATOM 0 HD22 ASN B 85 4.065 -1.730 -4.847 1.00 0.00 H new ATOM 2824 N GLU B 86 8.743 -1.967 -7.797 1.00 0.00 N ATOM 2825 CA GLU B 86 10.193 -1.780 -7.784 1.00 0.00 C ATOM 2826 C GLU B 86 10.597 -0.299 -7.798 1.00 0.00 C ATOM 2827 O GLU B 86 11.495 0.107 -7.064 1.00 0.00 O ATOM 2828 CB GLU B 86 10.801 -2.558 -8.960 1.00 0.00 C ATOM 2829 CG GLU B 86 12.330 -2.622 -8.878 1.00 0.00 C ATOM 2830 CD GLU B 86 12.907 -3.479 -9.999 1.00 0.00 C ATOM 2831 OE1 GLU B 86 12.937 -2.972 -11.140 1.00 0.00 O ATOM 2832 OE2 GLU B 86 13.296 -4.627 -9.694 1.00 0.00 O ATOM 0 H GLU B 86 8.453 -2.731 -8.407 1.00 0.00 H new ATOM 0 HA GLU B 86 10.590 -2.174 -6.848 1.00 0.00 H new ATOM 0 HB2 GLU B 86 10.396 -3.570 -8.973 1.00 0.00 H new ATOM 0 HB3 GLU B 86 10.508 -2.085 -9.897 1.00 0.00 H new ATOM 0 HG2 GLU B 86 12.742 -1.615 -8.938 1.00 0.00 H new ATOM 0 HG3 GLU B 86 12.628 -3.032 -7.913 1.00 0.00 H new ATOM 2839 N ALA B 87 9.907 0.504 -8.614 1.00 0.00 N ATOM 2840 CA ALA B 87 9.978 1.963 -8.637 1.00 0.00 C ATOM 2841 C ALA B 87 10.226 2.574 -7.252 1.00 0.00 C ATOM 2842 O ALA B 87 11.169 3.339 -7.052 1.00 0.00 O ATOM 2843 CB ALA B 87 8.656 2.490 -9.208 1.00 0.00 C ATOM 0 H ALA B 87 9.255 0.135 -9.307 1.00 0.00 H new ATOM 0 HA ALA B 87 10.827 2.254 -9.256 1.00 0.00 H new ATOM 0 HB1 ALA B 87 8.681 3.579 -9.237 1.00 0.00 H new ATOM 0 HB2 ALA B 87 8.516 2.103 -10.217 1.00 0.00 H new ATOM 0 HB3 ALA B 87 7.830 2.163 -8.576 1.00 0.00 H new ATOM 2849 N LEU B 88 9.376 2.223 -6.283 1.00 0.00 N ATOM 2850 CA LEU B 88 9.374 2.803 -4.949 1.00 0.00 C ATOM 2851 C LEU B 88 10.626 2.457 -4.141 1.00 0.00 C ATOM 2852 O LEU B 88 10.774 2.970 -3.039 1.00 0.00 O ATOM 2853 CB LEU B 88 8.120 2.361 -4.184 1.00 0.00 C ATOM 2854 CG LEU B 88 6.793 2.746 -4.853 1.00 0.00 C ATOM 2855 CD1 LEU B 88 5.642 2.226 -3.987 1.00 0.00 C ATOM 2856 CD2 LEU B 88 6.649 4.264 -5.022 1.00 0.00 C ATOM 0 H LEU B 88 8.657 1.512 -6.413 1.00 0.00 H new ATOM 0 HA LEU B 88 9.371 3.885 -5.079 1.00 0.00 H new ATOM 0 HB2 LEU B 88 8.149 1.278 -4.061 1.00 0.00 H new ATOM 0 HB3 LEU B 88 8.148 2.796 -3.185 1.00 0.00 H new ATOM 0 HG LEU B 88 6.772 2.301 -5.848 1.00 0.00 H new ATOM 0 HD11 LEU B 88 4.691 2.491 -4.448 1.00 0.00 H new ATOM 0 HD12 LEU B 88 5.713 1.142 -3.900 1.00 0.00 H new ATOM 0 HD13 LEU B 88 5.702 2.674 -2.995 1.00 0.00 H new ATOM 0 HD21 LEU B 88 5.695 4.488 -5.499 1.00 0.00 H new ATOM 0 HD22 LEU B 88 6.687 4.744 -4.044 1.00 0.00 H new ATOM 0 HD23 LEU B 88 7.462 4.640 -5.643 1.00 0.00 H new