USER MOD reduce.3.24.130724 H: found=0, std=0, add=644, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 642 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 63 GLN : amide:sc= -1.15 K(o=-1.2,f=-2.3) USER MOD Set 1.2: B 74 THR OG1 : rot 130:sc= 0 USER MOD Single : A 66 HIS : no HD1:sc= 0 X(o=0,f=-0.045) USER MOD Single : A 67 HIS : no HD1:sc= -0.278 X(o=-0.28,f=-0.039) USER MOD Single : A 69 SER OG : rot 180:sc= -0.904 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 THR OG1 : rot -35:sc= -2.99! USER MOD Single : A 92 SER OG : rot 82:sc= 0.272 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : B 63 GLN : amide:sc= 0 X(o=0,f=-0.063) USER MOD Single : B 66 HIS : no HD1:sc= -0.413 X(o=-0.41,f=-0.036) USER MOD Single : B 67 HIS : no HD1:sc= -0.15 X(o=-0.15,f=-0.15) USER MOD Single : B 69 SER OG : rot 180:sc= 0.266 USER MOD Single : B 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 87 THR OG1 : rot -37:sc= -3.19! USER MOD Single : B 92 SER OG : rot 180:sc= 0 USER MOD Single : B 93 TYR OH : rot 180:sc= -0.229 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 61 -4.482 -10.491 -12.292 1.00 0.00 N ATOM 2 CA ARG A 61 -4.805 -11.386 -13.397 1.00 0.00 C ATOM 3 C ARG A 61 -3.660 -11.441 -14.405 1.00 0.00 C ATOM 4 O ARG A 61 -3.012 -10.431 -14.680 1.00 0.00 O ATOM 5 CB ARG A 61 -6.089 -10.929 -14.093 1.00 0.00 C ATOM 6 CG ARG A 61 -7.354 -11.269 -13.322 1.00 0.00 C ATOM 7 CD ARG A 61 -7.848 -12.668 -13.654 1.00 0.00 C ATOM 8 NE ARG A 61 -9.194 -12.909 -13.140 1.00 0.00 N ATOM 9 CZ ARG A 61 -10.299 -12.494 -13.749 1.00 0.00 C ATOM 10 NH1 ARG A 61 -10.218 -11.821 -14.889 1.00 0.00 N ATOM 11 NH2 ARG A 61 -11.487 -12.752 -13.219 1.00 0.00 N ATOM 0 HA ARG A 61 -4.956 -12.386 -12.989 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -6.045 -9.851 -14.246 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -6.141 -11.389 -15.080 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -7.161 -11.194 -12.252 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -8.131 -10.542 -13.557 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -7.842 -12.808 -14.735 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -7.162 -13.404 -13.234 1.00 0.00 H new ATOM 0 HE ARG A 61 -9.291 -13.424 -12.265 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -9.306 -11.621 -15.300 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -11.068 -11.503 -15.355 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -11.553 -13.270 -12.343 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -12.335 -12.433 -13.688 1.00 0.00 H new ATOM 25 N VAL A 62 -3.417 -12.628 -14.951 1.00 0.00 N ATOM 26 CA VAL A 62 -2.351 -12.816 -15.928 1.00 0.00 C ATOM 27 C VAL A 62 -0.984 -12.543 -15.310 1.00 0.00 C ATOM 28 O VAL A 62 -0.876 -11.835 -14.309 1.00 0.00 O ATOM 29 CB VAL A 62 -2.541 -11.898 -17.150 1.00 0.00 C ATOM 30 CG1 VAL A 62 -1.494 -10.795 -17.159 1.00 0.00 C ATOM 31 CG2 VAL A 62 -2.487 -12.707 -18.437 1.00 0.00 C ATOM 0 H VAL A 62 -3.944 -13.474 -14.733 1.00 0.00 H new ATOM 0 HA VAL A 62 -2.399 -13.856 -16.252 1.00 0.00 H new ATOM 0 HB VAL A 62 -3.524 -11.431 -17.082 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -1.645 -10.157 -18.030 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -1.586 -10.198 -16.252 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -0.499 -11.238 -17.202 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -2.623 -12.043 -19.290 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -1.520 -13.204 -18.514 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -3.279 -13.455 -18.430 1.00 0.00 H new ATOM 41 N GLN A 63 0.056 -13.108 -15.913 1.00 0.00 N ATOM 42 CA GLN A 63 1.416 -12.926 -15.421 1.00 0.00 C ATOM 43 C GLN A 63 1.569 -13.502 -14.017 1.00 0.00 C ATOM 44 O GLN A 63 0.617 -13.521 -13.236 1.00 0.00 O ATOM 45 CB GLN A 63 1.785 -11.441 -15.419 1.00 0.00 C ATOM 46 CG GLN A 63 3.066 -11.134 -14.660 1.00 0.00 C ATOM 47 CD GLN A 63 4.282 -11.801 -15.271 1.00 0.00 C ATOM 48 OE1 GLN A 63 4.238 -12.278 -16.406 1.00 0.00 O ATOM 49 NE2 GLN A 63 5.377 -11.839 -14.521 1.00 0.00 N ATOM 0 H GLN A 63 -0.017 -13.696 -16.743 1.00 0.00 H new ATOM 0 HA GLN A 63 2.092 -13.461 -16.089 1.00 0.00 H new ATOM 0 HB2 GLN A 63 1.892 -11.100 -16.449 1.00 0.00 H new ATOM 0 HB3 GLN A 63 0.966 -10.872 -14.979 1.00 0.00 H new ATOM 0 HG2 GLN A 63 3.221 -10.055 -14.638 1.00 0.00 H new ATOM 0 HG3 GLN A 63 2.958 -11.461 -13.626 1.00 0.00 H new ATOM 0 HE21 GLN A 63 5.369 -11.431 -13.586 1.00 0.00 H new ATOM 0 HE22 GLN A 63 6.226 -12.276 -14.880 1.00 0.00 H new ATOM 58 N LEU A 64 2.772 -13.970 -13.704 1.00 0.00 N ATOM 59 CA LEU A 64 3.050 -14.548 -12.393 1.00 0.00 C ATOM 60 C LEU A 64 4.551 -14.588 -12.123 1.00 0.00 C ATOM 61 O LEU A 64 5.355 -14.221 -12.979 1.00 0.00 O ATOM 62 CB LEU A 64 2.466 -15.958 -12.301 1.00 0.00 C ATOM 63 CG LEU A 64 2.854 -16.920 -13.425 1.00 0.00 C ATOM 64 CD1 LEU A 64 4.185 -17.590 -13.118 1.00 0.00 C ATOM 65 CD2 LEU A 64 1.766 -17.963 -13.633 1.00 0.00 C ATOM 0 H LEU A 64 3.570 -13.961 -14.339 1.00 0.00 H new ATOM 0 HA LEU A 64 2.580 -13.917 -11.638 1.00 0.00 H new ATOM 0 HB2 LEU A 64 2.775 -16.396 -11.352 1.00 0.00 H new ATOM 0 HB3 LEU A 64 1.379 -15.879 -12.277 1.00 0.00 H new ATOM 0 HG LEU A 64 2.962 -16.348 -14.346 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.445 -18.271 -13.928 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.960 -16.830 -13.019 1.00 0.00 H new ATOM 0 HD13 LEU A 64 4.104 -18.149 -12.186 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.059 -18.639 -14.436 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.626 -18.531 -12.713 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.832 -17.467 -13.898 1.00 0.00 H new ATOM 77 N ALA A 65 4.920 -15.039 -10.929 1.00 0.00 N ATOM 78 CA ALA A 65 6.324 -15.131 -10.548 1.00 0.00 C ATOM 79 C ALA A 65 6.918 -13.749 -10.301 1.00 0.00 C ATOM 80 O ALA A 65 7.283 -13.042 -11.241 1.00 0.00 O ATOM 81 CB ALA A 65 7.115 -15.864 -11.621 1.00 0.00 C ATOM 0 H ALA A 65 4.266 -15.346 -10.209 1.00 0.00 H new ATOM 0 HA ALA A 65 6.386 -15.695 -9.617 1.00 0.00 H new ATOM 0 HB1 ALA A 65 8.162 -15.925 -11.323 1.00 0.00 H new ATOM 0 HB2 ALA A 65 6.714 -16.870 -11.746 1.00 0.00 H new ATOM 0 HB3 ALA A 65 7.037 -15.323 -12.564 1.00 0.00 H new ATOM 87 N HIS A 66 7.012 -13.368 -9.031 1.00 0.00 N ATOM 88 CA HIS A 66 7.562 -12.069 -8.661 1.00 0.00 C ATOM 89 C HIS A 66 9.036 -11.975 -9.043 1.00 0.00 C ATOM 90 O HIS A 66 9.633 -12.950 -9.500 1.00 0.00 O ATOM 91 CB HIS A 66 7.396 -11.830 -7.160 1.00 0.00 C ATOM 92 CG HIS A 66 8.384 -12.580 -6.321 1.00 0.00 C ATOM 93 ND1 HIS A 66 8.349 -13.950 -6.162 1.00 0.00 N ATOM 94 CD2 HIS A 66 9.439 -12.145 -5.593 1.00 0.00 C ATOM 95 CE1 HIS A 66 9.339 -14.324 -5.372 1.00 0.00 C ATOM 96 NE2 HIS A 66 10.016 -13.248 -5.013 1.00 0.00 N ATOM 0 H HIS A 66 6.714 -13.940 -8.241 1.00 0.00 H new ATOM 0 HA HIS A 66 7.013 -11.301 -9.206 1.00 0.00 H new ATOM 0 HB2 HIS A 66 7.495 -10.764 -6.957 1.00 0.00 H new ATOM 0 HB3 HIS A 66 6.387 -12.118 -6.864 1.00 0.00 H new ATOM 0 HD2 HIS A 66 9.766 -11.121 -5.488 1.00 0.00 H new ATOM 0 HE1 HIS A 66 9.558 -15.338 -5.071 1.00 0.00 H new ATOM 0 HE2 HIS A 66 10.834 -13.238 -4.404 1.00 0.00 H new ATOM 104 N HIS A 67 9.618 -10.794 -8.853 1.00 0.00 N ATOM 105 CA HIS A 67 11.022 -10.573 -9.178 1.00 0.00 C ATOM 106 C HIS A 67 11.456 -9.165 -8.782 1.00 0.00 C ATOM 107 O HIS A 67 10.685 -8.212 -8.895 1.00 0.00 O ATOM 108 CB HIS A 67 11.262 -10.792 -10.672 1.00 0.00 C ATOM 109 CG HIS A 67 12.681 -10.556 -11.092 1.00 0.00 C ATOM 110 ND1 HIS A 67 13.023 -9.850 -12.225 1.00 0.00 N ATOM 111 CD2 HIS A 67 13.848 -10.938 -10.521 1.00 0.00 C ATOM 112 CE1 HIS A 67 14.339 -9.808 -12.334 1.00 0.00 C ATOM 113 NE2 HIS A 67 14.863 -10.460 -11.313 1.00 0.00 N ATOM 0 H HIS A 67 9.139 -9.976 -8.476 1.00 0.00 H new ATOM 0 HA HIS A 67 11.618 -11.290 -8.613 1.00 0.00 H new ATOM 0 HB2 HIS A 67 10.980 -11.813 -10.931 1.00 0.00 H new ATOM 0 HB3 HIS A 67 10.609 -10.127 -11.238 1.00 0.00 H new ATOM 0 HD2 HIS A 67 13.960 -11.511 -9.613 1.00 0.00 H new ATOM 0 HE1 HIS A 67 14.892 -9.323 -13.124 1.00 0.00 H new ATOM 0 HE2 HIS A 67 15.860 -10.588 -11.140 1.00 0.00 H new ATOM 121 N PHE A 68 12.695 -9.041 -8.317 1.00 0.00 N ATOM 122 CA PHE A 68 13.231 -7.750 -7.902 1.00 0.00 C ATOM 123 C PHE A 68 13.735 -6.958 -9.106 1.00 0.00 C ATOM 124 O PHE A 68 14.173 -7.534 -10.101 1.00 0.00 O ATOM 125 CB PHE A 68 14.365 -7.945 -6.894 1.00 0.00 C ATOM 126 CG PHE A 68 15.466 -6.932 -7.027 1.00 0.00 C ATOM 127 CD1 PHE A 68 16.532 -7.156 -7.884 1.00 0.00 C ATOM 128 CD2 PHE A 68 15.435 -5.755 -6.296 1.00 0.00 C ATOM 129 CE1 PHE A 68 17.546 -6.226 -8.009 1.00 0.00 C ATOM 130 CE2 PHE A 68 16.447 -4.821 -6.417 1.00 0.00 C ATOM 131 CZ PHE A 68 17.504 -5.057 -7.274 1.00 0.00 C ATOM 0 H PHE A 68 13.347 -9.819 -8.218 1.00 0.00 H new ATOM 0 HA PHE A 68 12.427 -7.186 -7.429 1.00 0.00 H new ATOM 0 HB2 PHE A 68 13.956 -7.895 -5.885 1.00 0.00 H new ATOM 0 HB3 PHE A 68 14.784 -8.944 -7.019 1.00 0.00 H new ATOM 0 HD1 PHE A 68 16.570 -8.068 -8.461 1.00 0.00 H new ATOM 0 HD2 PHE A 68 14.611 -5.565 -5.624 1.00 0.00 H new ATOM 0 HE1 PHE A 68 18.371 -6.413 -8.681 1.00 0.00 H new ATOM 0 HE2 PHE A 68 16.411 -3.908 -5.842 1.00 0.00 H new ATOM 0 HZ PHE A 68 18.296 -4.329 -7.369 1.00 0.00 H new ATOM 141 N SER A 69 13.668 -5.635 -9.006 1.00 0.00 N ATOM 142 CA SER A 69 14.114 -4.763 -10.087 1.00 0.00 C ATOM 143 C SER A 69 13.228 -4.929 -11.318 1.00 0.00 C ATOM 144 O SER A 69 12.535 -5.935 -11.465 1.00 0.00 O ATOM 145 CB SER A 69 15.569 -5.065 -10.447 1.00 0.00 C ATOM 146 OG SER A 69 15.781 -4.959 -11.844 1.00 0.00 O ATOM 0 H SER A 69 13.309 -5.143 -8.188 1.00 0.00 H new ATOM 0 HA SER A 69 14.040 -3.731 -9.743 1.00 0.00 H new ATOM 0 HB2 SER A 69 16.228 -4.373 -9.922 1.00 0.00 H new ATOM 0 HB3 SER A 69 15.829 -6.069 -10.112 1.00 0.00 H new ATOM 0 HG SER A 69 16.719 -5.155 -12.048 1.00 0.00 H new ATOM 152 N GLU A 70 13.257 -3.933 -12.199 1.00 0.00 N ATOM 153 CA GLU A 70 12.457 -3.968 -13.417 1.00 0.00 C ATOM 154 C GLU A 70 13.203 -3.316 -14.577 1.00 0.00 C ATOM 155 O GLU A 70 12.975 -2.156 -14.921 1.00 0.00 O ATOM 156 CB GLU A 70 11.119 -3.261 -13.194 1.00 0.00 C ATOM 157 CG GLU A 70 10.074 -4.132 -12.517 1.00 0.00 C ATOM 158 CD GLU A 70 8.699 -3.494 -12.508 1.00 0.00 C ATOM 159 OE1 GLU A 70 8.106 -3.347 -13.597 1.00 0.00 O ATOM 160 OE2 GLU A 70 8.215 -3.141 -11.412 1.00 0.00 O ATOM 0 H GLU A 70 13.826 -3.093 -12.091 1.00 0.00 H new ATOM 0 HA GLU A 70 12.271 -5.012 -13.669 1.00 0.00 H new ATOM 0 HB2 GLU A 70 11.285 -2.370 -12.588 1.00 0.00 H new ATOM 0 HB3 GLU A 70 10.731 -2.924 -14.155 1.00 0.00 H new ATOM 0 HG2 GLU A 70 10.021 -5.093 -13.029 1.00 0.00 H new ATOM 0 HG3 GLU A 70 10.384 -4.333 -11.491 1.00 0.00 H new ATOM 167 N PRO A 71 14.117 -4.078 -15.195 1.00 0.00 N ATOM 168 CA PRO A 71 14.916 -3.596 -16.326 1.00 0.00 C ATOM 169 C PRO A 71 14.079 -3.405 -17.587 1.00 0.00 C ATOM 170 O PRO A 71 14.568 -2.896 -18.595 1.00 0.00 O ATOM 171 CB PRO A 71 15.946 -4.709 -16.532 1.00 0.00 C ATOM 172 CG PRO A 71 15.297 -5.933 -15.985 1.00 0.00 C ATOM 173 CD PRO A 71 14.441 -5.470 -14.839 1.00 0.00 C ATOM 0 HA PRO A 71 15.357 -2.619 -16.127 1.00 0.00 H new ATOM 0 HB2 PRO A 71 16.193 -4.830 -17.587 1.00 0.00 H new ATOM 0 HB3 PRO A 71 16.877 -4.488 -16.010 1.00 0.00 H new ATOM 0 HG2 PRO A 71 14.695 -6.429 -16.746 1.00 0.00 H new ATOM 0 HG3 PRO A 71 16.043 -6.653 -15.649 1.00 0.00 H new ATOM 0 HD2 PRO A 71 13.542 -6.078 -14.738 1.00 0.00 H new ATOM 0 HD3 PRO A 71 14.974 -5.528 -13.890 1.00 0.00 H new ATOM 181 N GLU A 72 12.817 -3.816 -17.522 1.00 0.00 N ATOM 182 CA GLU A 72 11.913 -3.689 -18.660 1.00 0.00 C ATOM 183 C GLU A 72 11.363 -2.269 -18.762 1.00 0.00 C ATOM 184 O GLU A 72 10.292 -2.047 -19.326 1.00 0.00 O ATOM 185 CB GLU A 72 10.760 -4.687 -18.537 1.00 0.00 C ATOM 186 CG GLU A 72 11.216 -6.126 -18.365 1.00 0.00 C ATOM 187 CD GLU A 72 11.412 -6.506 -16.910 1.00 0.00 C ATOM 188 OE1 GLU A 72 11.219 -5.634 -16.038 1.00 0.00 O ATOM 189 OE2 GLU A 72 11.759 -7.676 -16.645 1.00 0.00 O ATOM 0 H GLU A 72 12.397 -4.239 -16.694 1.00 0.00 H new ATOM 0 HA GLU A 72 12.478 -3.907 -19.566 1.00 0.00 H new ATOM 0 HB2 GLU A 72 10.138 -4.408 -17.686 1.00 0.00 H new ATOM 0 HB3 GLU A 72 10.134 -4.617 -19.426 1.00 0.00 H new ATOM 0 HG2 GLU A 72 10.480 -6.793 -18.815 1.00 0.00 H new ATOM 0 HG3 GLU A 72 12.152 -6.274 -18.904 1.00 0.00 H new ATOM 196 N ILE A 73 12.103 -1.313 -18.211 1.00 0.00 N ATOM 197 CA ILE A 73 11.690 0.084 -18.240 1.00 0.00 C ATOM 198 C ILE A 73 11.385 0.538 -19.664 1.00 0.00 C ATOM 199 O ILE A 73 10.278 0.987 -19.961 1.00 0.00 O ATOM 200 CB ILE A 73 12.771 1.004 -17.641 1.00 0.00 C ATOM 201 CG1 ILE A 73 13.160 0.525 -16.241 1.00 0.00 C ATOM 202 CG2 ILE A 73 12.278 2.442 -17.597 1.00 0.00 C ATOM 203 CD1 ILE A 73 14.162 1.424 -15.551 1.00 0.00 C ATOM 0 H ILE A 73 12.992 -1.481 -17.739 1.00 0.00 H new ATOM 0 HA ILE A 73 10.786 0.158 -17.636 1.00 0.00 H new ATOM 0 HB ILE A 73 13.655 0.963 -18.277 1.00 0.00 H new ATOM 0 HG12 ILE A 73 12.262 0.457 -15.627 1.00 0.00 H new ATOM 0 HG13 ILE A 73 13.575 -0.480 -16.312 1.00 0.00 H new ATOM 0 HG21 ILE A 73 13.053 3.079 -17.171 1.00 0.00 H new ATOM 0 HG22 ILE A 73 12.046 2.778 -18.608 1.00 0.00 H new ATOM 0 HG23 ILE A 73 11.381 2.500 -16.980 1.00 0.00 H new ATOM 0 HD11 ILE A 73 14.391 1.023 -14.564 1.00 0.00 H new ATOM 0 HD12 ILE A 73 15.075 1.473 -16.144 1.00 0.00 H new ATOM 0 HD13 ILE A 73 13.742 2.425 -15.448 1.00 0.00 H new ATOM 215 N THR A 74 12.375 0.416 -20.543 1.00 0.00 N ATOM 216 CA THR A 74 12.213 0.812 -21.936 1.00 0.00 C ATOM 217 C THR A 74 10.948 0.209 -22.536 1.00 0.00 C ATOM 218 O THR A 74 10.197 0.887 -23.238 1.00 0.00 O ATOM 219 CB THR A 74 13.425 0.385 -22.786 1.00 0.00 C ATOM 220 OG1 THR A 74 14.632 0.892 -22.206 1.00 0.00 O ATOM 221 CG2 THR A 74 13.290 0.893 -24.214 1.00 0.00 C ATOM 0 H THR A 74 13.298 0.046 -20.314 1.00 0.00 H new ATOM 0 HA THR A 74 12.135 1.899 -21.948 1.00 0.00 H new ATOM 0 HB THR A 74 13.462 -0.704 -22.807 1.00 0.00 H new ATOM 0 HG1 THR A 74 15.398 0.615 -22.751 1.00 0.00 H new ATOM 0 HG21 THR A 74 14.157 0.579 -24.795 1.00 0.00 H new ATOM 0 HG22 THR A 74 12.385 0.483 -24.662 1.00 0.00 H new ATOM 0 HG23 THR A 74 13.231 1.981 -24.209 1.00 0.00 H new ATOM 229 N LEU A 75 10.717 -1.069 -22.255 1.00 0.00 N ATOM 230 CA LEU A 75 9.541 -1.764 -22.766 1.00 0.00 C ATOM 231 C LEU A 75 8.261 -1.041 -22.361 1.00 0.00 C ATOM 232 O LEU A 75 7.401 -0.764 -23.197 1.00 0.00 O ATOM 233 CB LEU A 75 9.511 -3.204 -22.251 1.00 0.00 C ATOM 234 CG LEU A 75 10.469 -4.181 -22.934 1.00 0.00 C ATOM 235 CD1 LEU A 75 10.339 -5.569 -22.326 1.00 0.00 C ATOM 236 CD2 LEU A 75 10.207 -4.226 -24.432 1.00 0.00 C ATOM 0 H LEU A 75 11.329 -1.645 -21.676 1.00 0.00 H new ATOM 0 HA LEU A 75 9.601 -1.775 -23.854 1.00 0.00 H new ATOM 0 HB2 LEU A 75 9.735 -3.192 -21.184 1.00 0.00 H new ATOM 0 HB3 LEU A 75 8.496 -3.586 -22.359 1.00 0.00 H new ATOM 0 HG LEU A 75 11.489 -3.831 -22.775 1.00 0.00 H new ATOM 0 HD11 LEU A 75 11.028 -6.251 -22.825 1.00 0.00 H new ATOM 0 HD12 LEU A 75 10.578 -5.525 -21.263 1.00 0.00 H new ATOM 0 HD13 LEU A 75 9.318 -5.928 -22.454 1.00 0.00 H new ATOM 0 HD21 LEU A 75 10.898 -4.926 -24.901 1.00 0.00 H new ATOM 0 HD22 LEU A 75 9.182 -4.551 -24.613 1.00 0.00 H new ATOM 0 HD23 LEU A 75 10.353 -3.233 -24.857 1.00 0.00 H new ATOM 248 N ILE A 76 8.143 -0.735 -21.073 1.00 0.00 N ATOM 249 CA ILE A 76 6.970 -0.040 -20.557 1.00 0.00 C ATOM 250 C ILE A 76 6.743 1.276 -21.293 1.00 0.00 C ATOM 251 O ILE A 76 5.620 1.592 -21.688 1.00 0.00 O ATOM 252 CB ILE A 76 7.101 0.243 -19.049 1.00 0.00 C ATOM 253 CG1 ILE A 76 7.291 -1.063 -18.277 1.00 0.00 C ATOM 254 CG2 ILE A 76 5.877 0.992 -18.543 1.00 0.00 C ATOM 255 CD1 ILE A 76 6.170 -2.057 -18.486 1.00 0.00 C ATOM 0 H ILE A 76 8.846 -0.958 -20.368 1.00 0.00 H new ATOM 0 HA ILE A 76 6.116 -0.697 -20.721 1.00 0.00 H new ATOM 0 HB ILE A 76 7.979 0.869 -18.886 1.00 0.00 H new ATOM 0 HG12 ILE A 76 8.233 -1.521 -18.580 1.00 0.00 H new ATOM 0 HG13 ILE A 76 7.373 -0.838 -17.214 1.00 0.00 H new ATOM 0 HG21 ILE A 76 5.984 1.185 -17.476 1.00 0.00 H new ATOM 0 HG22 ILE A 76 5.784 1.939 -19.075 1.00 0.00 H new ATOM 0 HG23 ILE A 76 4.985 0.390 -18.715 1.00 0.00 H new ATOM 0 HD11 ILE A 76 6.371 -2.959 -17.909 1.00 0.00 H new ATOM 0 HD12 ILE A 76 5.228 -1.618 -18.157 1.00 0.00 H new ATOM 0 HD13 ILE A 76 6.101 -2.311 -19.544 1.00 0.00 H new ATOM 267 N ILE A 77 7.816 2.038 -21.475 1.00 0.00 N ATOM 268 CA ILE A 77 7.734 3.319 -22.167 1.00 0.00 C ATOM 269 C ILE A 77 7.309 3.133 -23.620 1.00 0.00 C ATOM 270 O ILE A 77 6.387 3.793 -24.097 1.00 0.00 O ATOM 271 CB ILE A 77 9.080 4.066 -22.129 1.00 0.00 C ATOM 272 CG1 ILE A 77 9.454 4.414 -20.686 1.00 0.00 C ATOM 273 CG2 ILE A 77 9.012 5.323 -22.982 1.00 0.00 C ATOM 274 CD1 ILE A 77 8.577 5.485 -20.076 1.00 0.00 C ATOM 0 H ILE A 77 8.752 1.791 -21.153 1.00 0.00 H new ATOM 0 HA ILE A 77 6.983 3.912 -21.645 1.00 0.00 H new ATOM 0 HB ILE A 77 9.852 3.415 -22.538 1.00 0.00 H new ATOM 0 HG12 ILE A 77 9.391 3.513 -20.076 1.00 0.00 H new ATOM 0 HG13 ILE A 77 10.492 4.746 -20.658 1.00 0.00 H new ATOM 0 HG21 ILE A 77 9.971 5.840 -22.945 1.00 0.00 H new ATOM 0 HG22 ILE A 77 8.786 5.051 -24.013 1.00 0.00 H new ATOM 0 HG23 ILE A 77 8.231 5.980 -22.600 1.00 0.00 H new ATOM 0 HD11 ILE A 77 8.899 5.680 -19.053 1.00 0.00 H new ATOM 0 HD12 ILE A 77 8.658 6.400 -20.663 1.00 0.00 H new ATOM 0 HD13 ILE A 77 7.541 5.148 -20.071 1.00 0.00 H new ATOM 286 N PHE A 78 7.988 2.228 -24.317 1.00 0.00 N ATOM 287 CA PHE A 78 7.681 1.954 -25.716 1.00 0.00 C ATOM 288 C PHE A 78 6.207 1.598 -25.890 1.00 0.00 C ATOM 289 O PHE A 78 5.526 2.136 -26.762 1.00 0.00 O ATOM 290 CB PHE A 78 8.557 0.814 -26.239 1.00 0.00 C ATOM 291 CG PHE A 78 8.157 0.326 -27.602 1.00 0.00 C ATOM 292 CD1 PHE A 78 8.646 0.941 -28.744 1.00 0.00 C ATOM 293 CD2 PHE A 78 7.291 -0.747 -27.742 1.00 0.00 C ATOM 294 CE1 PHE A 78 8.278 0.494 -29.999 1.00 0.00 C ATOM 295 CE2 PHE A 78 6.920 -1.198 -28.994 1.00 0.00 C ATOM 296 CZ PHE A 78 7.415 -0.577 -30.124 1.00 0.00 C ATOM 0 H PHE A 78 8.754 1.672 -23.936 1.00 0.00 H new ATOM 0 HA PHE A 78 7.889 2.856 -26.291 1.00 0.00 H new ATOM 0 HB2 PHE A 78 9.594 1.149 -26.272 1.00 0.00 H new ATOM 0 HB3 PHE A 78 8.513 -0.018 -25.537 1.00 0.00 H new ATOM 0 HD1 PHE A 78 9.322 1.778 -28.652 1.00 0.00 H new ATOM 0 HD2 PHE A 78 6.901 -1.237 -26.862 1.00 0.00 H new ATOM 0 HE1 PHE A 78 8.665 0.982 -30.881 1.00 0.00 H new ATOM 0 HE2 PHE A 78 6.244 -2.035 -29.089 1.00 0.00 H new ATOM 0 HZ PHE A 78 7.128 -0.928 -31.104 1.00 0.00 H new ATOM 306 N GLY A 79 5.722 0.686 -25.053 1.00 0.00 N ATOM 307 CA GLY A 79 4.333 0.272 -25.130 1.00 0.00 C ATOM 308 C GLY A 79 3.373 1.440 -25.018 1.00 0.00 C ATOM 309 O GLY A 79 2.518 1.636 -25.882 1.00 0.00 O ATOM 0 H GLY A 79 6.266 0.226 -24.323 1.00 0.00 H new ATOM 0 HA2 GLY A 79 4.163 -0.245 -26.074 1.00 0.00 H new ATOM 0 HA3 GLY A 79 4.125 -0.443 -24.334 1.00 0.00 H new ATOM 313 N VAL A 80 3.513 2.218 -23.949 1.00 0.00 N ATOM 314 CA VAL A 80 2.651 3.373 -23.727 1.00 0.00 C ATOM 315 C VAL A 80 2.802 4.396 -24.847 1.00 0.00 C ATOM 316 O VAL A 80 1.839 5.061 -25.228 1.00 0.00 O ATOM 317 CB VAL A 80 2.960 4.053 -22.380 1.00 0.00 C ATOM 318 CG1 VAL A 80 1.997 5.203 -22.128 1.00 0.00 C ATOM 319 CG2 VAL A 80 2.902 3.040 -21.246 1.00 0.00 C ATOM 0 H VAL A 80 4.215 2.069 -23.224 1.00 0.00 H new ATOM 0 HA VAL A 80 1.625 3.004 -23.713 1.00 0.00 H new ATOM 0 HB VAL A 80 3.970 4.460 -22.422 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.231 5.671 -21.172 1.00 0.00 H new ATOM 0 HG12 VAL A 80 2.093 5.940 -22.926 1.00 0.00 H new ATOM 0 HG13 VAL A 80 0.975 4.824 -22.106 1.00 0.00 H new ATOM 0 HG21 VAL A 80 3.123 3.538 -20.302 1.00 0.00 H new ATOM 0 HG22 VAL A 80 1.905 2.601 -21.201 1.00 0.00 H new ATOM 0 HG23 VAL A 80 3.636 2.254 -21.422 1.00 0.00 H new ATOM 329 N MET A 81 4.018 4.517 -25.370 1.00 0.00 N ATOM 330 CA MET A 81 4.295 5.458 -26.449 1.00 0.00 C ATOM 331 C MET A 81 3.553 5.061 -27.721 1.00 0.00 C ATOM 332 O MET A 81 2.921 5.896 -28.368 1.00 0.00 O ATOM 333 CB MET A 81 5.799 5.526 -26.722 1.00 0.00 C ATOM 334 CG MET A 81 6.565 6.351 -25.700 1.00 0.00 C ATOM 335 SD MET A 81 6.585 8.109 -26.100 1.00 0.00 S ATOM 336 CE MET A 81 8.039 8.203 -27.142 1.00 0.00 C ATOM 0 H MET A 81 4.827 3.976 -25.064 1.00 0.00 H new ATOM 0 HA MET A 81 3.945 6.442 -26.138 1.00 0.00 H new ATOM 0 HB2 MET A 81 6.204 4.514 -26.737 1.00 0.00 H new ATOM 0 HB3 MET A 81 5.961 5.949 -27.714 1.00 0.00 H new ATOM 0 HG2 MET A 81 6.116 6.211 -24.716 1.00 0.00 H new ATOM 0 HG3 MET A 81 7.590 5.985 -25.638 1.00 0.00 H new ATOM 0 HE1 MET A 81 8.185 9.232 -27.471 1.00 0.00 H new ATOM 0 HE2 MET A 81 8.912 7.874 -26.579 1.00 0.00 H new ATOM 0 HE3 MET A 81 7.905 7.560 -28.012 1.00 0.00 H new ATOM 346 N ALA A 82 3.635 3.783 -28.074 1.00 0.00 N ATOM 347 CA ALA A 82 2.969 3.276 -29.268 1.00 0.00 C ATOM 348 C ALA A 82 1.453 3.356 -29.127 1.00 0.00 C ATOM 349 O ALA A 82 0.757 3.790 -30.044 1.00 0.00 O ATOM 350 CB ALA A 82 3.401 1.843 -29.544 1.00 0.00 C ATOM 0 H ALA A 82 4.156 3.079 -27.551 1.00 0.00 H new ATOM 0 HA ALA A 82 3.262 3.901 -30.111 1.00 0.00 H new ATOM 0 HB1 ALA A 82 2.896 1.477 -30.438 1.00 0.00 H new ATOM 0 HB2 ALA A 82 4.480 1.811 -29.697 1.00 0.00 H new ATOM 0 HB3 ALA A 82 3.137 1.213 -28.694 1.00 0.00 H new ATOM 356 N GLY A 83 0.947 2.933 -27.972 1.00 0.00 N ATOM 357 CA GLY A 83 -0.484 2.965 -27.733 1.00 0.00 C ATOM 358 C GLY A 83 -1.048 4.371 -27.776 1.00 0.00 C ATOM 359 O GLY A 83 -2.017 4.638 -28.487 1.00 0.00 O ATOM 0 H GLY A 83 1.503 2.569 -27.198 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -0.988 2.352 -28.480 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -0.697 2.521 -26.760 1.00 0.00 H new ATOM 363 N VAL A 84 -0.441 5.274 -27.012 1.00 0.00 N ATOM 364 CA VAL A 84 -0.889 6.661 -26.965 1.00 0.00 C ATOM 365 C VAL A 84 -0.966 7.261 -28.364 1.00 0.00 C ATOM 366 O VAL A 84 -2.025 7.714 -28.798 1.00 0.00 O ATOM 367 CB VAL A 84 0.047 7.524 -26.098 1.00 0.00 C ATOM 368 CG1 VAL A 84 -0.264 9.001 -26.284 1.00 0.00 C ATOM 369 CG2 VAL A 84 -0.065 7.127 -24.634 1.00 0.00 C ATOM 0 H VAL A 84 0.362 5.070 -26.417 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.884 6.658 -26.519 1.00 0.00 H new ATOM 0 HB VAL A 84 1.074 7.350 -26.420 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.407 9.595 -25.664 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.127 9.273 -27.331 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -1.296 9.195 -25.991 1.00 0.00 H new ATOM 0 HG21 VAL A 84 0.603 7.747 -24.037 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.091 7.270 -24.296 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.213 6.079 -24.519 1.00 0.00 H new ATOM 379 N ILE A 85 0.163 7.261 -29.065 1.00 0.00 N ATOM 380 CA ILE A 85 0.223 7.804 -30.416 1.00 0.00 C ATOM 381 C ILE A 85 -0.806 7.137 -31.323 1.00 0.00 C ATOM 382 O ILE A 85 -1.447 7.795 -32.141 1.00 0.00 O ATOM 383 CB ILE A 85 1.623 7.628 -31.032 1.00 0.00 C ATOM 384 CG1 ILE A 85 2.669 8.367 -30.194 1.00 0.00 C ATOM 385 CG2 ILE A 85 1.637 8.129 -32.468 1.00 0.00 C ATOM 386 CD1 ILE A 85 2.483 9.869 -30.183 1.00 0.00 C ATOM 0 H ILE A 85 1.048 6.891 -28.719 1.00 0.00 H new ATOM 0 HA ILE A 85 0.000 8.868 -30.338 1.00 0.00 H new ATOM 0 HB ILE A 85 1.871 6.567 -31.036 1.00 0.00 H new ATOM 0 HG12 ILE A 85 2.630 7.997 -29.170 1.00 0.00 H new ATOM 0 HG13 ILE A 85 3.662 8.135 -30.579 1.00 0.00 H new ATOM 0 HG21 ILE A 85 2.634 7.998 -32.889 1.00 0.00 H new ATOM 0 HG22 ILE A 85 0.916 7.563 -33.058 1.00 0.00 H new ATOM 0 HG23 ILE A 85 1.371 9.186 -32.487 1.00 0.00 H new ATOM 0 HD11 ILE A 85 3.259 10.327 -29.570 1.00 0.00 H new ATOM 0 HD12 ILE A 85 2.552 10.252 -31.201 1.00 0.00 H new ATOM 0 HD13 ILE A 85 1.504 10.111 -29.770 1.00 0.00 H new ATOM 398 N GLY A 86 -0.960 5.825 -31.170 1.00 0.00 N ATOM 399 CA GLY A 86 -1.914 5.091 -31.980 1.00 0.00 C ATOM 400 C GLY A 86 -3.333 5.595 -31.804 1.00 0.00 C ATOM 401 O GLY A 86 -4.017 5.901 -32.781 1.00 0.00 O ATOM 0 H GLY A 86 -0.441 5.258 -30.500 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -1.631 5.170 -33.030 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -1.872 4.034 -31.717 1.00 0.00 H new ATOM 405 N THR A 87 -3.779 5.679 -30.555 1.00 0.00 N ATOM 406 CA THR A 87 -5.126 6.147 -30.254 1.00 0.00 C ATOM 407 C THR A 87 -5.367 7.538 -30.829 1.00 0.00 C ATOM 408 O THR A 87 -6.421 7.807 -31.405 1.00 0.00 O ATOM 409 CB THR A 87 -5.384 6.179 -28.736 1.00 0.00 C ATOM 410 OG1 THR A 87 -4.781 5.040 -28.112 1.00 0.00 O ATOM 411 CG2 THR A 87 -6.876 6.195 -28.440 1.00 0.00 C ATOM 0 H THR A 87 -3.227 5.429 -29.735 1.00 0.00 H new ATOM 0 HA THR A 87 -5.816 5.442 -30.717 1.00 0.00 H new ATOM 0 HB THR A 87 -4.941 7.090 -28.334 1.00 0.00 H new ATOM 0 HG1 THR A 87 -4.841 4.268 -28.713 1.00 0.00 H new ATOM 0 HG21 THR A 87 -7.033 6.218 -27.362 1.00 0.00 H new ATOM 0 HG22 THR A 87 -7.327 7.079 -28.891 1.00 0.00 H new ATOM 0 HG23 THR A 87 -7.339 5.300 -28.855 1.00 0.00 H new ATOM 419 N ILE A 88 -4.384 8.417 -30.669 1.00 0.00 N ATOM 420 CA ILE A 88 -4.489 9.780 -31.175 1.00 0.00 C ATOM 421 C ILE A 88 -4.794 9.791 -32.669 1.00 0.00 C ATOM 422 O ILE A 88 -5.730 10.453 -33.118 1.00 0.00 O ATOM 423 CB ILE A 88 -3.195 10.576 -30.920 1.00 0.00 C ATOM 424 CG1 ILE A 88 -2.891 10.632 -29.422 1.00 0.00 C ATOM 425 CG2 ILE A 88 -3.316 11.980 -31.494 1.00 0.00 C ATOM 426 CD1 ILE A 88 -1.430 10.871 -29.110 1.00 0.00 C ATOM 0 H ILE A 88 -3.506 8.210 -30.193 1.00 0.00 H new ATOM 0 HA ILE A 88 -5.310 10.254 -30.637 1.00 0.00 H new ATOM 0 HB ILE A 88 -2.370 10.069 -31.420 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -3.485 11.425 -28.968 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -3.204 9.695 -28.961 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -2.394 12.531 -31.306 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -3.490 11.920 -32.568 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -4.150 12.497 -31.019 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -1.288 10.899 -28.030 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -0.831 10.065 -29.534 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -1.117 11.822 -29.541 1.00 0.00 H new ATOM 438 N LEU A 89 -3.998 9.052 -33.434 1.00 0.00 N ATOM 439 CA LEU A 89 -4.184 8.973 -34.879 1.00 0.00 C ATOM 440 C LEU A 89 -5.593 8.502 -35.223 1.00 0.00 C ATOM 441 O LEU A 89 -6.307 9.151 -35.988 1.00 0.00 O ATOM 442 CB LEU A 89 -3.152 8.026 -35.495 1.00 0.00 C ATOM 443 CG LEU A 89 -1.729 8.572 -35.619 1.00 0.00 C ATOM 444 CD1 LEU A 89 -0.737 7.437 -35.813 1.00 0.00 C ATOM 445 CD2 LEU A 89 -1.638 9.566 -36.768 1.00 0.00 C ATOM 0 H LEU A 89 -3.218 8.499 -33.078 1.00 0.00 H new ATOM 0 HA LEU A 89 -4.045 9.972 -35.293 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -3.120 7.116 -34.895 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -3.498 7.741 -36.488 1.00 0.00 H new ATOM 0 HG LEU A 89 -1.477 9.092 -34.695 1.00 0.00 H new ATOM 0 HD11 LEU A 89 0.270 7.845 -35.899 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -0.784 6.763 -34.958 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -0.985 6.888 -36.721 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -0.619 9.945 -36.842 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -1.909 9.070 -37.700 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -2.321 10.396 -36.586 1.00 0.00 H new ATOM 457 N LEU A 90 -5.988 7.370 -34.651 1.00 0.00 N ATOM 458 CA LEU A 90 -7.314 6.812 -34.894 1.00 0.00 C ATOM 459 C LEU A 90 -8.403 7.811 -34.517 1.00 0.00 C ATOM 460 O LEU A 90 -9.307 8.085 -35.307 1.00 0.00 O ATOM 461 CB LEU A 90 -7.497 5.517 -34.101 1.00 0.00 C ATOM 462 CG LEU A 90 -6.695 4.310 -34.590 1.00 0.00 C ATOM 463 CD1 LEU A 90 -6.463 3.327 -33.454 1.00 0.00 C ATOM 464 CD2 LEU A 90 -7.408 3.630 -35.750 1.00 0.00 C ATOM 0 H LEU A 90 -5.409 6.820 -34.016 1.00 0.00 H new ATOM 0 HA LEU A 90 -7.400 6.594 -35.959 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -7.228 5.710 -33.062 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -8.555 5.254 -34.113 1.00 0.00 H new ATOM 0 HG LEU A 90 -5.725 4.661 -34.942 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -5.891 2.475 -33.821 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -5.909 3.819 -32.655 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -7.423 2.981 -33.070 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -6.823 2.773 -36.085 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -8.392 3.292 -35.425 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -7.520 4.336 -36.572 1.00 0.00 H new ATOM 476 N ILE A 91 -8.309 8.353 -33.308 1.00 0.00 N ATOM 477 CA ILE A 91 -9.284 9.324 -32.828 1.00 0.00 C ATOM 478 C ILE A 91 -9.390 10.511 -33.779 1.00 0.00 C ATOM 479 O ILE A 91 -10.488 10.921 -34.157 1.00 0.00 O ATOM 480 CB ILE A 91 -8.923 9.837 -31.422 1.00 0.00 C ATOM 481 CG1 ILE A 91 -9.039 8.706 -30.397 1.00 0.00 C ATOM 482 CG2 ILE A 91 -9.822 11.002 -31.036 1.00 0.00 C ATOM 483 CD1 ILE A 91 -8.297 8.980 -29.108 1.00 0.00 C ATOM 0 H ILE A 91 -7.567 8.136 -32.642 1.00 0.00 H new ATOM 0 HA ILE A 91 -10.245 8.811 -32.782 1.00 0.00 H new ATOM 0 HB ILE A 91 -7.891 10.188 -31.434 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -10.092 8.537 -30.172 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -8.656 7.786 -30.839 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -9.554 11.353 -30.040 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -9.695 11.813 -31.753 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -10.862 10.675 -31.038 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -8.423 8.137 -28.429 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -7.237 9.119 -29.321 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -8.695 9.882 -28.644 1.00 0.00 H new ATOM 495 N SER A 92 -8.242 11.060 -34.162 1.00 0.00 N ATOM 496 CA SER A 92 -8.205 12.203 -35.067 1.00 0.00 C ATOM 497 C SER A 92 -8.962 11.898 -36.357 1.00 0.00 C ATOM 498 O SER A 92 -9.503 12.799 -37.000 1.00 0.00 O ATOM 499 CB SER A 92 -6.758 12.579 -35.389 1.00 0.00 C ATOM 500 OG SER A 92 -6.129 13.188 -34.274 1.00 0.00 O ATOM 0 H SER A 92 -7.325 10.732 -33.860 1.00 0.00 H new ATOM 0 HA SER A 92 -8.689 13.044 -34.571 1.00 0.00 H new ATOM 0 HB2 SER A 92 -6.204 11.687 -35.681 1.00 0.00 H new ATOM 0 HB3 SER A 92 -6.737 13.260 -36.240 1.00 0.00 H new ATOM 0 HG SER A 92 -5.822 12.495 -33.653 1.00 0.00 H new ATOM 506 N TYR A 93 -8.995 10.624 -36.729 1.00 0.00 N ATOM 507 CA TYR A 93 -9.683 10.200 -37.943 1.00 0.00 C ATOM 508 C TYR A 93 -11.197 10.262 -37.761 1.00 0.00 C ATOM 509 O TYR A 93 -11.930 10.618 -38.683 1.00 0.00 O ATOM 510 CB TYR A 93 -9.262 8.779 -38.322 1.00 0.00 C ATOM 511 CG TYR A 93 -9.325 8.506 -39.808 1.00 0.00 C ATOM 512 CD1 TYR A 93 -8.263 8.838 -40.641 1.00 0.00 C ATOM 513 CD2 TYR A 93 -10.445 7.916 -40.380 1.00 0.00 C ATOM 514 CE1 TYR A 93 -8.316 8.591 -41.999 1.00 0.00 C ATOM 515 CE2 TYR A 93 -10.506 7.664 -41.737 1.00 0.00 C ATOM 516 CZ TYR A 93 -9.439 8.003 -42.542 1.00 0.00 C ATOM 517 OH TYR A 93 -9.497 7.755 -43.894 1.00 0.00 O ATOM 0 H TYR A 93 -8.554 9.866 -36.208 1.00 0.00 H new ATOM 0 HA TYR A 93 -9.403 10.882 -38.746 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -8.245 8.605 -37.972 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -9.904 8.068 -37.803 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -7.381 9.297 -40.219 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -11.283 7.650 -39.753 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -7.482 8.857 -42.632 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -11.384 7.204 -42.165 1.00 0.00 H new ATOM 0 HH TYR A 93 -10.356 7.336 -44.113 1.00 0.00 H new ATOM 527 N GLY A 94 -11.658 9.914 -36.564 1.00 0.00 N ATOM 528 CA GLY A 94 -13.081 9.938 -36.281 1.00 0.00 C ATOM 529 C GLY A 94 -13.661 11.336 -36.345 1.00 0.00 C ATOM 530 O GLY A 94 -14.789 11.527 -36.801 1.00 0.00 O ATOM 0 H GLY A 94 -11.071 9.616 -35.785 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -13.601 9.299 -36.995 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -13.258 9.519 -35.290 1.00 0.00 H new ATOM 534 N ILE A 95 -12.891 12.316 -35.884 1.00 0.00 N ATOM 535 CA ILE A 95 -13.337 13.704 -35.890 1.00 0.00 C ATOM 536 C ILE A 95 -13.509 14.220 -37.314 1.00 0.00 C ATOM 537 O ILE A 95 -14.366 15.063 -37.581 1.00 0.00 O ATOM 538 CB ILE A 95 -12.346 14.616 -35.142 1.00 0.00 C ATOM 539 CG1 ILE A 95 -12.191 14.156 -33.691 1.00 0.00 C ATOM 540 CG2 ILE A 95 -12.813 16.063 -35.198 1.00 0.00 C ATOM 541 CD1 ILE A 95 -11.012 14.783 -32.981 1.00 0.00 C ATOM 0 H ILE A 95 -11.956 12.175 -35.502 1.00 0.00 H new ATOM 0 HA ILE A 95 -14.299 13.729 -35.379 1.00 0.00 H new ATOM 0 HB ILE A 95 -11.374 14.549 -35.630 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -13.103 14.394 -33.144 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -12.082 13.072 -33.672 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -12.103 16.695 -34.665 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -12.877 16.385 -36.237 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -13.795 16.147 -34.731 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -10.964 14.411 -31.957 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -10.092 14.524 -33.505 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -11.129 15.867 -32.968 1.00 0.00 H new ATOM 553 N ARG A 96 -12.691 13.706 -38.227 1.00 0.00 N ATOM 554 CA ARG A 96 -12.754 14.114 -39.625 1.00 0.00 C ATOM 555 C ARG A 96 -13.972 13.508 -40.315 1.00 0.00 C ATOM 556 O ARG A 96 -14.606 14.149 -41.153 1.00 0.00 O ATOM 557 CB ARG A 96 -11.478 13.695 -40.359 1.00 0.00 C ATOM 558 CG ARG A 96 -10.891 14.789 -41.235 1.00 0.00 C ATOM 559 CD ARG A 96 -11.839 15.168 -42.363 1.00 0.00 C ATOM 560 NE ARG A 96 -11.128 15.723 -43.512 1.00 0.00 N ATOM 561 CZ ARG A 96 -10.716 16.983 -43.582 1.00 0.00 C ATOM 562 NH1 ARG A 96 -10.942 17.816 -42.575 1.00 0.00 N ATOM 563 NH2 ARG A 96 -10.075 17.414 -44.661 1.00 0.00 N ATOM 0 H ARG A 96 -11.977 13.006 -38.023 1.00 0.00 H new ATOM 0 HA ARG A 96 -12.844 15.200 -39.656 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -10.732 13.389 -39.626 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -11.694 12.824 -40.977 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -10.677 15.668 -40.627 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -9.942 14.452 -41.653 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -12.401 14.288 -42.675 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -12.563 15.896 -41.999 1.00 0.00 H new ATOM 0 HE ARG A 96 -10.938 15.109 -44.304 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -11.434 17.489 -41.743 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -10.624 18.783 -42.632 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -9.898 16.777 -45.438 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -9.759 18.382 -44.714 1.00 0.00 H new ATOM 577 N ARG A 97 -14.293 12.269 -39.956 1.00 0.00 N ATOM 578 CA ARG A 97 -15.434 11.576 -40.541 1.00 0.00 C ATOM 579 C ARG A 97 -15.311 11.512 -42.061 1.00 0.00 C ATOM 580 O ARG A 97 -16.314 11.481 -42.775 1.00 0.00 O ATOM 581 CB ARG A 97 -16.738 12.277 -40.153 1.00 0.00 C ATOM 582 CG ARG A 97 -17.973 11.410 -40.337 1.00 0.00 C ATOM 583 CD ARG A 97 -19.129 11.900 -39.480 1.00 0.00 C ATOM 584 NE ARG A 97 -20.292 11.022 -39.575 1.00 0.00 N ATOM 585 CZ ARG A 97 -21.416 11.214 -38.893 1.00 0.00 C ATOM 586 NH1 ARG A 97 -21.529 12.248 -38.072 1.00 0.00 N ATOM 587 NH2 ARG A 97 -22.431 10.370 -39.034 1.00 0.00 N ATOM 0 H ARG A 97 -13.779 11.725 -39.263 1.00 0.00 H new ATOM 0 HA ARG A 97 -15.447 10.558 -40.152 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -16.676 12.590 -39.111 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -16.847 13.181 -40.752 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -18.269 11.414 -41.386 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -17.737 10.378 -40.076 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -18.808 11.964 -38.440 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -19.409 12.907 -39.790 1.00 0.00 H new ATOM 0 HE ARG A 97 -20.239 10.217 -40.199 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -20.752 12.899 -37.962 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -22.393 12.393 -37.550 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -22.348 9.574 -39.666 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -23.294 10.518 -38.510 1.00 0.00 H new ATOM 601 N LEU A 98 -14.076 11.493 -42.548 1.00 0.00 N ATOM 602 CA LEU A 98 -13.821 11.433 -43.984 1.00 0.00 C ATOM 603 C LEU A 98 -14.049 10.023 -44.519 1.00 0.00 C ATOM 604 O LEU A 98 -14.570 9.179 -43.791 1.00 0.00 O ATOM 605 CB LEU A 98 -12.389 11.880 -44.286 1.00 0.00 C ATOM 606 CG LEU A 98 -11.862 11.543 -45.681 1.00 0.00 C ATOM 607 CD1 LEU A 98 -12.667 12.271 -46.747 1.00 0.00 C ATOM 608 CD2 LEU A 98 -10.385 11.895 -45.792 1.00 0.00 C ATOM 0 H LEU A 98 -13.235 11.518 -41.971 1.00 0.00 H new ATOM 0 HA LEU A 98 -14.519 12.107 -44.481 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -12.330 12.960 -44.148 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -11.725 11.427 -43.549 1.00 0.00 H new ATOM 0 HG LEU A 98 -11.973 10.471 -45.841 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -12.277 12.019 -47.733 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -13.713 11.970 -46.682 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -12.589 13.347 -46.590 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -10.026 11.649 -46.791 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -10.251 12.961 -45.611 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -9.819 11.327 -45.053 1.00 0.00 H new TER 620 LEU A 98 ATOM 621 N ARG B 61 24.517 -16.568 -1.652 1.00 0.00 N ATOM 622 CA ARG B 61 24.840 -17.955 -1.339 1.00 0.00 C ATOM 623 C ARG B 61 25.097 -18.754 -2.613 1.00 0.00 C ATOM 624 O ARG B 61 24.720 -19.922 -2.713 1.00 0.00 O ATOM 625 CB ARG B 61 23.704 -18.598 -0.541 1.00 0.00 C ATOM 626 CG ARG B 61 23.609 -18.102 0.893 1.00 0.00 C ATOM 627 CD ARG B 61 24.687 -18.722 1.769 1.00 0.00 C ATOM 628 NE ARG B 61 24.352 -20.087 2.166 1.00 0.00 N ATOM 629 CZ ARG B 61 23.514 -20.380 3.154 1.00 0.00 C ATOM 630 NH1 ARG B 61 22.929 -19.409 3.842 1.00 0.00 N ATOM 631 NH2 ARG B 61 23.259 -21.647 3.455 1.00 0.00 N ATOM 0 HA ARG B 61 25.748 -17.963 -0.736 1.00 0.00 H new ATOM 0 HB2 ARG B 61 22.759 -18.401 -1.048 1.00 0.00 H new ATOM 0 HB3 ARG B 61 23.843 -19.679 -0.534 1.00 0.00 H new ATOM 0 HG2 ARG B 61 23.704 -17.016 0.911 1.00 0.00 H new ATOM 0 HG3 ARG B 61 22.626 -18.343 1.298 1.00 0.00 H new ATOM 0 HD2 ARG B 61 25.635 -18.723 1.231 1.00 0.00 H new ATOM 0 HD3 ARG B 61 24.827 -18.109 2.660 1.00 0.00 H new ATOM 0 HE ARG B 61 24.785 -20.857 1.657 1.00 0.00 H new ATOM 0 HH11 ARG B 61 23.122 -18.434 3.613 1.00 0.00 H new ATOM 0 HH12 ARG B 61 22.286 -19.637 4.600 1.00 0.00 H new ATOM 0 HH21 ARG B 61 23.707 -22.397 2.928 1.00 0.00 H new ATOM 0 HH22 ARG B 61 22.615 -21.871 4.214 1.00 0.00 H new ATOM 645 N VAL B 62 25.742 -18.117 -3.585 1.00 0.00 N ATOM 646 CA VAL B 62 26.050 -18.768 -4.852 1.00 0.00 C ATOM 647 C VAL B 62 24.913 -19.683 -5.291 1.00 0.00 C ATOM 648 O VAL B 62 25.145 -20.801 -5.752 1.00 0.00 O ATOM 649 CB VAL B 62 27.349 -19.591 -4.759 1.00 0.00 C ATOM 650 CG1 VAL B 62 27.196 -20.720 -3.753 1.00 0.00 C ATOM 651 CG2 VAL B 62 27.735 -20.133 -6.127 1.00 0.00 C ATOM 0 H VAL B 62 26.061 -17.151 -3.519 1.00 0.00 H new ATOM 0 HA VAL B 62 26.181 -17.977 -5.590 1.00 0.00 H new ATOM 0 HB VAL B 62 28.149 -18.936 -4.414 1.00 0.00 H new ATOM 0 HG11 VAL B 62 28.124 -21.290 -3.702 1.00 0.00 H new ATOM 0 HG12 VAL B 62 26.971 -20.304 -2.771 1.00 0.00 H new ATOM 0 HG13 VAL B 62 26.384 -21.377 -4.064 1.00 0.00 H new ATOM 0 HG21 VAL B 62 28.655 -20.712 -6.043 1.00 0.00 H new ATOM 0 HG22 VAL B 62 26.937 -20.773 -6.503 1.00 0.00 H new ATOM 0 HG23 VAL B 62 27.890 -19.303 -6.817 1.00 0.00 H new ATOM 661 N GLN B 63 23.683 -19.201 -5.145 1.00 0.00 N ATOM 662 CA GLN B 63 22.509 -19.977 -5.527 1.00 0.00 C ATOM 663 C GLN B 63 22.277 -19.910 -7.033 1.00 0.00 C ATOM 664 O GLN B 63 22.994 -19.210 -7.751 1.00 0.00 O ATOM 665 CB GLN B 63 21.272 -19.467 -4.785 1.00 0.00 C ATOM 666 CG GLN B 63 20.719 -20.456 -3.771 1.00 0.00 C ATOM 667 CD GLN B 63 19.856 -19.790 -2.718 1.00 0.00 C ATOM 668 OE1 GLN B 63 19.083 -18.879 -3.017 1.00 0.00 O ATOM 669 NE2 GLN B 63 19.982 -20.243 -1.476 1.00 0.00 N ATOM 0 H GLN B 63 23.474 -18.278 -4.765 1.00 0.00 H new ATOM 0 HA GLN B 63 22.687 -21.017 -5.252 1.00 0.00 H new ATOM 0 HB2 GLN B 63 21.523 -18.538 -4.274 1.00 0.00 H new ATOM 0 HB3 GLN B 63 20.494 -19.231 -5.512 1.00 0.00 H new ATOM 0 HG2 GLN B 63 20.132 -21.213 -4.291 1.00 0.00 H new ATOM 0 HG3 GLN B 63 21.546 -20.972 -3.284 1.00 0.00 H new ATOM 0 HE21 GLN B 63 20.635 -21.000 -1.273 1.00 0.00 H new ATOM 0 HE22 GLN B 63 19.426 -19.834 -0.725 1.00 0.00 H new ATOM 678 N LEU B 64 21.274 -20.640 -7.505 1.00 0.00 N ATOM 679 CA LEU B 64 20.948 -20.664 -8.927 1.00 0.00 C ATOM 680 C LEU B 64 19.474 -20.991 -9.142 1.00 0.00 C ATOM 681 O LEU B 64 18.980 -22.015 -8.672 1.00 0.00 O ATOM 682 CB LEU B 64 21.821 -21.689 -9.654 1.00 0.00 C ATOM 683 CG LEU B 64 23.330 -21.454 -9.585 1.00 0.00 C ATOM 684 CD1 LEU B 64 24.084 -22.664 -10.115 1.00 0.00 C ATOM 685 CD2 LEU B 64 23.711 -20.203 -10.365 1.00 0.00 C ATOM 0 H LEU B 64 20.672 -21.224 -6.924 1.00 0.00 H new ATOM 0 HA LEU B 64 21.145 -19.673 -9.336 1.00 0.00 H new ATOM 0 HB2 LEU B 64 21.608 -22.675 -9.242 1.00 0.00 H new ATOM 0 HB3 LEU B 64 21.524 -21.711 -10.703 1.00 0.00 H new ATOM 0 HG LEU B 64 23.608 -21.307 -8.541 1.00 0.00 H new ATOM 0 HD11 LEU B 64 25.157 -22.478 -10.058 1.00 0.00 H new ATOM 0 HD12 LEU B 64 23.835 -23.539 -9.515 1.00 0.00 H new ATOM 0 HD13 LEU B 64 23.802 -22.843 -11.152 1.00 0.00 H new ATOM 0 HD21 LEU B 64 24.789 -20.051 -10.305 1.00 0.00 H new ATOM 0 HD22 LEU B 64 23.419 -20.322 -11.408 1.00 0.00 H new ATOM 0 HD23 LEU B 64 23.199 -19.340 -9.941 1.00 0.00 H new ATOM 697 N ALA B 65 18.777 -20.115 -9.859 1.00 0.00 N ATOM 698 CA ALA B 65 17.361 -20.312 -10.140 1.00 0.00 C ATOM 699 C ALA B 65 16.892 -19.398 -11.267 1.00 0.00 C ATOM 700 O ALA B 65 16.518 -18.249 -11.033 1.00 0.00 O ATOM 701 CB ALA B 65 16.534 -20.072 -8.885 1.00 0.00 C ATOM 0 H ALA B 65 19.171 -19.262 -10.256 1.00 0.00 H new ATOM 0 HA ALA B 65 17.221 -21.344 -10.462 1.00 0.00 H new ATOM 0 HB1 ALA B 65 15.478 -20.223 -9.111 1.00 0.00 H new ATOM 0 HB2 ALA B 65 16.842 -20.770 -8.107 1.00 0.00 H new ATOM 0 HB3 ALA B 65 16.688 -19.051 -8.537 1.00 0.00 H new ATOM 707 N HIS B 66 16.917 -19.916 -12.492 1.00 0.00 N ATOM 708 CA HIS B 66 16.494 -19.145 -13.656 1.00 0.00 C ATOM 709 C HIS B 66 14.989 -18.899 -13.627 1.00 0.00 C ATOM 710 O HIS B 66 14.194 -19.834 -13.728 1.00 0.00 O ATOM 711 CB HIS B 66 16.879 -19.875 -14.943 1.00 0.00 C ATOM 712 CG HIS B 66 16.300 -19.256 -16.178 1.00 0.00 C ATOM 713 ND1 HIS B 66 17.016 -18.414 -17.004 1.00 0.00 N ATOM 714 CD2 HIS B 66 15.068 -19.361 -16.727 1.00 0.00 C ATOM 715 CE1 HIS B 66 16.247 -18.027 -18.007 1.00 0.00 C ATOM 716 NE2 HIS B 66 15.060 -18.588 -17.863 1.00 0.00 N ATOM 0 H HIS B 66 17.225 -20.865 -12.704 1.00 0.00 H new ATOM 0 HA HIS B 66 17.002 -18.181 -13.628 1.00 0.00 H new ATOM 0 HB2 HIS B 66 17.965 -19.892 -15.030 1.00 0.00 H new ATOM 0 HB3 HIS B 66 16.548 -20.911 -14.876 1.00 0.00 H new ATOM 0 HD2 HIS B 66 14.244 -19.944 -16.344 1.00 0.00 H new ATOM 0 HE1 HIS B 66 16.540 -17.365 -18.808 1.00 0.00 H new ATOM 0 HE2 HIS B 66 14.267 -18.467 -18.493 1.00 0.00 H new ATOM 724 N HIS B 67 14.604 -17.634 -13.488 1.00 0.00 N ATOM 725 CA HIS B 67 13.193 -17.265 -13.446 1.00 0.00 C ATOM 726 C HIS B 67 12.439 -17.863 -14.630 1.00 0.00 C ATOM 727 O HIS B 67 12.558 -17.388 -15.759 1.00 0.00 O ATOM 728 CB HIS B 67 13.043 -15.743 -13.447 1.00 0.00 C ATOM 729 CG HIS B 67 13.878 -15.058 -12.409 1.00 0.00 C ATOM 730 ND1 HIS B 67 13.622 -15.148 -11.057 1.00 0.00 N ATOM 731 CD2 HIS B 67 14.971 -14.270 -12.532 1.00 0.00 C ATOM 732 CE1 HIS B 67 14.521 -14.443 -10.394 1.00 0.00 C ATOM 733 NE2 HIS B 67 15.352 -13.901 -11.266 1.00 0.00 N ATOM 0 H HIS B 67 15.248 -16.848 -13.403 1.00 0.00 H new ATOM 0 HA HIS B 67 12.765 -17.665 -12.527 1.00 0.00 H new ATOM 0 HB2 HIS B 67 13.315 -15.360 -14.431 1.00 0.00 H new ATOM 0 HB3 HIS B 67 11.996 -15.489 -13.284 1.00 0.00 H new ATOM 0 HD2 HIS B 67 15.454 -13.984 -13.455 1.00 0.00 H new ATOM 0 HE1 HIS B 67 14.569 -14.329 -9.321 1.00 0.00 H new ATOM 0 HE2 HIS B 67 16.147 -13.305 -11.036 1.00 0.00 H new ATOM 741 N PHE B 68 11.664 -18.909 -14.363 1.00 0.00 N ATOM 742 CA PHE B 68 10.892 -19.574 -15.407 1.00 0.00 C ATOM 743 C PHE B 68 9.899 -18.608 -16.047 1.00 0.00 C ATOM 744 O PHE B 68 9.861 -17.425 -15.709 1.00 0.00 O ATOM 745 CB PHE B 68 10.148 -20.780 -14.830 1.00 0.00 C ATOM 746 CG PHE B 68 9.462 -20.494 -13.525 1.00 0.00 C ATOM 747 CD1 PHE B 68 8.435 -19.567 -13.456 1.00 0.00 C ATOM 748 CD2 PHE B 68 9.846 -21.152 -12.367 1.00 0.00 C ATOM 749 CE1 PHE B 68 7.802 -19.301 -12.256 1.00 0.00 C ATOM 750 CE2 PHE B 68 9.216 -20.891 -11.165 1.00 0.00 C ATOM 751 CZ PHE B 68 8.193 -19.964 -11.109 1.00 0.00 C ATOM 0 H PHE B 68 11.554 -19.314 -13.434 1.00 0.00 H new ATOM 0 HA PHE B 68 11.585 -19.917 -16.175 1.00 0.00 H new ATOM 0 HB2 PHE B 68 9.407 -21.120 -15.554 1.00 0.00 H new ATOM 0 HB3 PHE B 68 10.854 -21.598 -14.688 1.00 0.00 H new ATOM 0 HD1 PHE B 68 8.125 -19.046 -14.350 1.00 0.00 H new ATOM 0 HD2 PHE B 68 10.646 -21.876 -12.405 1.00 0.00 H new ATOM 0 HE1 PHE B 68 7.003 -18.576 -12.215 1.00 0.00 H new ATOM 0 HE2 PHE B 68 9.523 -21.411 -10.270 1.00 0.00 H new ATOM 0 HZ PHE B 68 7.700 -19.758 -10.170 1.00 0.00 H new ATOM 761 N SER B 69 9.097 -19.122 -16.974 1.00 0.00 N ATOM 762 CA SER B 69 8.106 -18.306 -17.666 1.00 0.00 C ATOM 763 C SER B 69 8.779 -17.343 -18.640 1.00 0.00 C ATOM 764 O SER B 69 9.960 -17.489 -18.956 1.00 0.00 O ATOM 765 CB SER B 69 7.266 -17.522 -16.656 1.00 0.00 C ATOM 766 OG SER B 69 6.038 -17.106 -17.228 1.00 0.00 O ATOM 0 H SER B 69 9.114 -20.100 -17.263 1.00 0.00 H new ATOM 0 HA SER B 69 7.455 -18.972 -18.232 1.00 0.00 H new ATOM 0 HB2 SER B 69 7.072 -18.142 -15.781 1.00 0.00 H new ATOM 0 HB3 SER B 69 7.824 -16.651 -16.312 1.00 0.00 H new ATOM 0 HG SER B 69 5.519 -16.609 -16.562 1.00 0.00 H new ATOM 772 N GLU B 70 8.019 -16.360 -19.111 1.00 0.00 N ATOM 773 CA GLU B 70 8.542 -15.374 -20.050 1.00 0.00 C ATOM 774 C GLU B 70 7.913 -14.005 -19.807 1.00 0.00 C ATOM 775 O GLU B 70 7.059 -13.543 -20.564 1.00 0.00 O ATOM 776 CB GLU B 70 8.280 -15.820 -21.490 1.00 0.00 C ATOM 777 CG GLU B 70 6.854 -16.286 -21.733 1.00 0.00 C ATOM 778 CD GLU B 70 6.544 -16.469 -23.206 1.00 0.00 C ATOM 779 OE1 GLU B 70 7.329 -15.978 -24.044 1.00 0.00 O ATOM 780 OE2 GLU B 70 5.514 -17.103 -23.521 1.00 0.00 O ATOM 0 H GLU B 70 7.040 -16.225 -18.858 1.00 0.00 H new ATOM 0 HA GLU B 70 9.618 -15.294 -19.892 1.00 0.00 H new ATOM 0 HB2 GLU B 70 8.503 -14.993 -22.164 1.00 0.00 H new ATOM 0 HB3 GLU B 70 8.966 -16.629 -21.741 1.00 0.00 H new ATOM 0 HG2 GLU B 70 6.690 -17.229 -21.211 1.00 0.00 H new ATOM 0 HG3 GLU B 70 6.161 -15.561 -21.307 1.00 0.00 H new ATOM 787 N PRO B 71 8.345 -13.340 -18.726 1.00 0.00 N ATOM 788 CA PRO B 71 7.839 -12.014 -18.357 1.00 0.00 C ATOM 789 C PRO B 71 8.294 -10.929 -19.328 1.00 0.00 C ATOM 790 O PRO B 71 9.458 -10.532 -19.326 1.00 0.00 O ATOM 791 CB PRO B 71 8.441 -11.778 -16.970 1.00 0.00 C ATOM 792 CG PRO B 71 9.670 -12.620 -16.942 1.00 0.00 C ATOM 793 CD PRO B 71 9.362 -13.830 -17.780 1.00 0.00 C ATOM 0 HA PRO B 71 6.750 -11.973 -18.376 1.00 0.00 H new ATOM 0 HB2 PRO B 71 8.679 -10.726 -16.815 1.00 0.00 H new ATOM 0 HB3 PRO B 71 7.745 -12.067 -16.182 1.00 0.00 H new ATOM 0 HG2 PRO B 71 10.525 -12.076 -17.342 1.00 0.00 H new ATOM 0 HG3 PRO B 71 9.924 -12.906 -15.921 1.00 0.00 H new ATOM 0 HD2 PRO B 71 10.249 -14.197 -18.297 1.00 0.00 H new ATOM 0 HD3 PRO B 71 8.984 -14.653 -17.174 1.00 0.00 H new ATOM 801 N GLU B 72 7.367 -10.455 -20.155 1.00 0.00 N ATOM 802 CA GLU B 72 7.675 -9.416 -21.130 1.00 0.00 C ATOM 803 C GLU B 72 6.413 -8.964 -21.860 1.00 0.00 C ATOM 804 O GLU B 72 6.057 -7.786 -21.834 1.00 0.00 O ATOM 805 CB GLU B 72 8.708 -9.923 -22.140 1.00 0.00 C ATOM 806 CG GLU B 72 9.546 -8.817 -22.760 1.00 0.00 C ATOM 807 CD GLU B 72 10.695 -9.353 -23.592 1.00 0.00 C ATOM 808 OE1 GLU B 72 10.441 -10.180 -24.492 1.00 0.00 O ATOM 809 OE2 GLU B 72 11.848 -8.945 -23.341 1.00 0.00 O ATOM 0 H GLU B 72 6.398 -10.774 -20.169 1.00 0.00 H new ATOM 0 HA GLU B 72 8.090 -8.562 -20.594 1.00 0.00 H new ATOM 0 HB2 GLU B 72 9.369 -10.634 -21.645 1.00 0.00 H new ATOM 0 HB3 GLU B 72 8.193 -10.465 -22.933 1.00 0.00 H new ATOM 0 HG2 GLU B 72 8.910 -8.192 -23.386 1.00 0.00 H new ATOM 0 HG3 GLU B 72 9.941 -8.179 -21.970 1.00 0.00 H new ATOM 816 N ILE B 73 5.743 -9.909 -22.510 1.00 0.00 N ATOM 817 CA ILE B 73 4.521 -9.609 -23.247 1.00 0.00 C ATOM 818 C ILE B 73 3.546 -8.808 -22.391 1.00 0.00 C ATOM 819 O ILE B 73 3.059 -7.755 -22.805 1.00 0.00 O ATOM 820 CB ILE B 73 3.825 -10.895 -23.730 1.00 0.00 C ATOM 821 CG1 ILE B 73 4.762 -11.700 -24.632 1.00 0.00 C ATOM 822 CG2 ILE B 73 2.537 -10.556 -24.465 1.00 0.00 C ATOM 823 CD1 ILE B 73 4.375 -13.157 -24.759 1.00 0.00 C ATOM 0 H ILE B 73 6.025 -10.889 -22.542 1.00 0.00 H new ATOM 0 HA ILE B 73 4.813 -9.016 -24.114 1.00 0.00 H new ATOM 0 HB ILE B 73 3.576 -11.504 -22.861 1.00 0.00 H new ATOM 0 HG12 ILE B 73 4.775 -11.248 -25.624 1.00 0.00 H new ATOM 0 HG13 ILE B 73 5.776 -11.635 -24.239 1.00 0.00 H new ATOM 0 HG21 ILE B 73 2.057 -11.475 -24.800 1.00 0.00 H new ATOM 0 HG22 ILE B 73 1.866 -10.020 -23.794 1.00 0.00 H new ATOM 0 HG23 ILE B 73 2.764 -9.930 -25.328 1.00 0.00 H new ATOM 0 HD11 ILE B 73 5.083 -13.666 -25.413 1.00 0.00 H new ATOM 0 HD12 ILE B 73 4.390 -13.625 -23.774 1.00 0.00 H new ATOM 0 HD13 ILE B 73 3.373 -13.232 -25.181 1.00 0.00 H new ATOM 835 N THR B 74 3.267 -9.311 -21.193 1.00 0.00 N ATOM 836 CA THR B 74 2.351 -8.642 -20.277 1.00 0.00 C ATOM 837 C THR B 74 2.704 -7.167 -20.126 1.00 0.00 C ATOM 838 O THR B 74 1.839 -6.297 -20.230 1.00 0.00 O ATOM 839 CB THR B 74 2.362 -9.306 -18.887 1.00 0.00 C ATOM 840 OG1 THR B 74 2.043 -10.697 -19.006 1.00 0.00 O ATOM 841 CG2 THR B 74 1.365 -8.630 -17.957 1.00 0.00 C ATOM 0 H THR B 74 3.662 -10.180 -20.834 1.00 0.00 H new ATOM 0 HA THR B 74 1.353 -8.732 -20.706 1.00 0.00 H new ATOM 0 HB THR B 74 3.361 -9.198 -18.465 1.00 0.00 H new ATOM 0 HG1 THR B 74 2.711 -11.228 -18.524 1.00 0.00 H new ATOM 0 HG21 THR B 74 1.390 -9.116 -16.981 1.00 0.00 H new ATOM 0 HG22 THR B 74 1.627 -7.578 -17.845 1.00 0.00 H new ATOM 0 HG23 THR B 74 0.362 -8.712 -18.377 1.00 0.00 H new ATOM 849 N LEU B 75 3.981 -6.892 -19.881 1.00 0.00 N ATOM 850 CA LEU B 75 4.449 -5.520 -19.716 1.00 0.00 C ATOM 851 C LEU B 75 4.094 -4.673 -20.935 1.00 0.00 C ATOM 852 O LEU B 75 3.549 -3.577 -20.803 1.00 0.00 O ATOM 853 CB LEU B 75 5.962 -5.500 -19.491 1.00 0.00 C ATOM 854 CG LEU B 75 6.457 -6.160 -18.203 1.00 0.00 C ATOM 855 CD1 LEU B 75 7.977 -6.212 -18.181 1.00 0.00 C ATOM 856 CD2 LEU B 75 5.929 -5.416 -16.986 1.00 0.00 C ATOM 0 H LEU B 75 4.710 -7.600 -19.792 1.00 0.00 H new ATOM 0 HA LEU B 75 3.952 -5.095 -18.844 1.00 0.00 H new ATOM 0 HB2 LEU B 75 6.442 -5.994 -20.336 1.00 0.00 H new ATOM 0 HB3 LEU B 75 6.296 -4.463 -19.496 1.00 0.00 H new ATOM 0 HG LEU B 75 6.078 -7.182 -18.171 1.00 0.00 H new ATOM 0 HD11 LEU B 75 8.312 -6.685 -17.258 1.00 0.00 H new ATOM 0 HD12 LEU B 75 8.334 -6.789 -19.034 1.00 0.00 H new ATOM 0 HD13 LEU B 75 8.377 -5.199 -18.236 1.00 0.00 H new ATOM 0 HD21 LEU B 75 6.291 -5.899 -16.079 1.00 0.00 H new ATOM 0 HD22 LEU B 75 6.278 -4.384 -17.011 1.00 0.00 H new ATOM 0 HD23 LEU B 75 4.839 -5.431 -16.995 1.00 0.00 H new ATOM 868 N ILE B 76 4.405 -5.190 -22.119 1.00 0.00 N ATOM 869 CA ILE B 76 4.115 -4.483 -23.360 1.00 0.00 C ATOM 870 C ILE B 76 2.632 -4.147 -23.468 1.00 0.00 C ATOM 871 O ILE B 76 2.263 -3.027 -23.824 1.00 0.00 O ATOM 872 CB ILE B 76 4.534 -5.309 -24.590 1.00 0.00 C ATOM 873 CG1 ILE B 76 5.998 -5.738 -24.469 1.00 0.00 C ATOM 874 CG2 ILE B 76 4.314 -4.510 -25.865 1.00 0.00 C ATOM 875 CD1 ILE B 76 6.971 -4.579 -24.488 1.00 0.00 C ATOM 0 H ILE B 76 4.858 -6.095 -22.245 1.00 0.00 H new ATOM 0 HA ILE B 76 4.693 -3.559 -23.339 1.00 0.00 H new ATOM 0 HB ILE B 76 3.915 -6.205 -24.635 1.00 0.00 H new ATOM 0 HG12 ILE B 76 6.129 -6.297 -23.542 1.00 0.00 H new ATOM 0 HG13 ILE B 76 6.238 -6.417 -25.287 1.00 0.00 H new ATOM 0 HG21 ILE B 76 4.615 -5.108 -26.725 1.00 0.00 H new ATOM 0 HG22 ILE B 76 3.259 -4.251 -25.954 1.00 0.00 H new ATOM 0 HG23 ILE B 76 4.910 -3.598 -25.830 1.00 0.00 H new ATOM 0 HD11 ILE B 76 7.989 -4.957 -24.398 1.00 0.00 H new ATOM 0 HD12 ILE B 76 6.868 -4.033 -25.426 1.00 0.00 H new ATOM 0 HD13 ILE B 76 6.757 -3.911 -23.654 1.00 0.00 H new ATOM 887 N ILE B 77 1.786 -5.123 -23.157 1.00 0.00 N ATOM 888 CA ILE B 77 0.342 -4.930 -23.216 1.00 0.00 C ATOM 889 C ILE B 77 -0.115 -3.887 -22.202 1.00 0.00 C ATOM 890 O ILE B 77 -0.845 -2.955 -22.541 1.00 0.00 O ATOM 891 CB ILE B 77 -0.413 -6.247 -22.958 1.00 0.00 C ATOM 892 CG1 ILE B 77 -0.103 -7.263 -24.059 1.00 0.00 C ATOM 893 CG2 ILE B 77 -1.910 -5.991 -22.871 1.00 0.00 C ATOM 894 CD1 ILE B 77 -0.711 -6.907 -25.398 1.00 0.00 C ATOM 0 H ILE B 77 2.075 -6.055 -22.862 1.00 0.00 H new ATOM 0 HA ILE B 77 0.111 -4.580 -24.222 1.00 0.00 H new ATOM 0 HB ILE B 77 -0.079 -6.659 -22.006 1.00 0.00 H new ATOM 0 HG12 ILE B 77 0.978 -7.347 -24.171 1.00 0.00 H new ATOM 0 HG13 ILE B 77 -0.469 -8.243 -23.752 1.00 0.00 H new ATOM 0 HG21 ILE B 77 -2.430 -6.931 -22.688 1.00 0.00 H new ATOM 0 HG22 ILE B 77 -2.114 -5.299 -22.054 1.00 0.00 H new ATOM 0 HG23 ILE B 77 -2.260 -5.559 -23.808 1.00 0.00 H new ATOM 0 HD11 ILE B 77 -0.450 -7.671 -26.131 1.00 0.00 H new ATOM 0 HD12 ILE B 77 -1.795 -6.851 -25.302 1.00 0.00 H new ATOM 0 HD13 ILE B 77 -0.326 -5.942 -25.727 1.00 0.00 H new ATOM 906 N PHE B 78 0.320 -4.050 -20.957 1.00 0.00 N ATOM 907 CA PHE B 78 -0.044 -3.122 -19.893 1.00 0.00 C ATOM 908 C PHE B 78 0.307 -1.688 -20.278 1.00 0.00 C ATOM 909 O PHE B 78 -0.514 -0.781 -20.153 1.00 0.00 O ATOM 910 CB PHE B 78 0.667 -3.501 -18.592 1.00 0.00 C ATOM 911 CG PHE B 78 0.533 -2.465 -17.512 1.00 0.00 C ATOM 912 CD1 PHE B 78 -0.545 -2.487 -16.642 1.00 0.00 C ATOM 913 CD2 PHE B 78 1.486 -1.470 -17.367 1.00 0.00 C ATOM 914 CE1 PHE B 78 -0.670 -1.535 -15.649 1.00 0.00 C ATOM 915 CE2 PHE B 78 1.366 -0.515 -16.375 1.00 0.00 C ATOM 916 CZ PHE B 78 0.287 -0.548 -15.514 1.00 0.00 C ATOM 0 H PHE B 78 0.925 -4.816 -20.660 1.00 0.00 H new ATOM 0 HA PHE B 78 -1.122 -3.186 -19.742 1.00 0.00 H new ATOM 0 HB2 PHE B 78 0.264 -4.447 -18.229 1.00 0.00 H new ATOM 0 HB3 PHE B 78 1.725 -3.664 -18.799 1.00 0.00 H new ATOM 0 HD1 PHE B 78 -1.296 -3.257 -16.741 1.00 0.00 H new ATOM 0 HD2 PHE B 78 2.333 -1.440 -18.037 1.00 0.00 H new ATOM 0 HE1 PHE B 78 -1.516 -1.562 -14.978 1.00 0.00 H new ATOM 0 HE2 PHE B 78 2.115 0.256 -16.273 1.00 0.00 H new ATOM 0 HZ PHE B 78 0.192 0.196 -14.737 1.00 0.00 H new ATOM 926 N GLY B 79 1.536 -1.491 -20.748 1.00 0.00 N ATOM 927 CA GLY B 79 1.975 -0.166 -21.144 1.00 0.00 C ATOM 928 C GLY B 79 1.065 0.461 -22.182 1.00 0.00 C ATOM 929 O GLY B 79 0.562 1.568 -21.990 1.00 0.00 O ATOM 0 H GLY B 79 2.235 -2.226 -20.861 1.00 0.00 H new ATOM 0 HA2 GLY B 79 2.016 0.477 -20.265 1.00 0.00 H new ATOM 0 HA3 GLY B 79 2.988 -0.226 -21.542 1.00 0.00 H new ATOM 933 N VAL B 80 0.854 -0.248 -23.287 1.00 0.00 N ATOM 934 CA VAL B 80 0.000 0.246 -24.360 1.00 0.00 C ATOM 935 C VAL B 80 -1.431 0.450 -23.873 1.00 0.00 C ATOM 936 O VAL B 80 -2.122 1.367 -24.315 1.00 0.00 O ATOM 937 CB VAL B 80 -0.011 -0.721 -25.559 1.00 0.00 C ATOM 938 CG1 VAL B 80 -0.836 -0.147 -26.700 1.00 0.00 C ATOM 939 CG2 VAL B 80 1.410 -1.020 -26.014 1.00 0.00 C ATOM 0 H VAL B 80 1.263 -1.166 -23.462 1.00 0.00 H new ATOM 0 HA VAL B 80 0.413 1.203 -24.678 1.00 0.00 H new ATOM 0 HB VAL B 80 -0.472 -1.657 -25.245 1.00 0.00 H new ATOM 0 HG11 VAL B 80 -0.832 -0.844 -27.538 1.00 0.00 H new ATOM 0 HG12 VAL B 80 -1.861 0.011 -26.364 1.00 0.00 H new ATOM 0 HG13 VAL B 80 -0.407 0.804 -27.017 1.00 0.00 H new ATOM 0 HG21 VAL B 80 1.384 -1.705 -26.862 1.00 0.00 H new ATOM 0 HG22 VAL B 80 1.900 -0.093 -26.311 1.00 0.00 H new ATOM 0 HG23 VAL B 80 1.966 -1.477 -25.195 1.00 0.00 H new ATOM 949 N MET B 81 -1.868 -0.411 -22.959 1.00 0.00 N ATOM 950 CA MET B 81 -3.216 -0.324 -22.411 1.00 0.00 C ATOM 951 C MET B 81 -3.391 0.956 -21.599 1.00 0.00 C ATOM 952 O MET B 81 -4.380 1.671 -21.757 1.00 0.00 O ATOM 953 CB MET B 81 -3.513 -1.542 -21.534 1.00 0.00 C ATOM 954 CG MET B 81 -3.830 -2.799 -22.328 1.00 0.00 C ATOM 955 SD MET B 81 -5.524 -2.821 -22.946 1.00 0.00 S ATOM 956 CE MET B 81 -6.318 -3.857 -21.719 1.00 0.00 C ATOM 0 H MET B 81 -1.308 -1.176 -22.583 1.00 0.00 H new ATOM 0 HA MET B 81 -3.919 -0.305 -23.244 1.00 0.00 H new ATOM 0 HB2 MET B 81 -2.654 -1.735 -20.891 1.00 0.00 H new ATOM 0 HB3 MET B 81 -4.355 -1.313 -20.881 1.00 0.00 H new ATOM 0 HG2 MET B 81 -3.140 -2.877 -23.168 1.00 0.00 H new ATOM 0 HG3 MET B 81 -3.666 -3.673 -21.698 1.00 0.00 H new ATOM 0 HE1 MET B 81 -7.375 -3.966 -21.964 1.00 0.00 H new ATOM 0 HE2 MET B 81 -5.844 -4.839 -21.710 1.00 0.00 H new ATOM 0 HE3 MET B 81 -6.219 -3.397 -20.736 1.00 0.00 H new ATOM 966 N ALA B 82 -2.425 1.238 -20.731 1.00 0.00 N ATOM 967 CA ALA B 82 -2.472 2.432 -19.897 1.00 0.00 C ATOM 968 C ALA B 82 -2.366 3.697 -20.743 1.00 0.00 C ATOM 969 O ALA B 82 -3.116 4.652 -20.546 1.00 0.00 O ATOM 970 CB ALA B 82 -1.361 2.394 -18.858 1.00 0.00 C ATOM 0 H ALA B 82 -1.600 0.655 -20.587 1.00 0.00 H new ATOM 0 HA ALA B 82 -3.433 2.449 -19.384 1.00 0.00 H new ATOM 0 HB1 ALA B 82 -1.408 3.292 -18.242 1.00 0.00 H new ATOM 0 HB2 ALA B 82 -1.483 1.514 -18.227 1.00 0.00 H new ATOM 0 HB3 ALA B 82 -0.395 2.349 -19.360 1.00 0.00 H new ATOM 976 N GLY B 83 -1.428 3.697 -21.685 1.00 0.00 N ATOM 977 CA GLY B 83 -1.240 4.850 -22.545 1.00 0.00 C ATOM 978 C GLY B 83 -2.464 5.150 -23.388 1.00 0.00 C ATOM 979 O GLY B 83 -2.954 6.279 -23.404 1.00 0.00 O ATOM 0 H GLY B 83 -0.795 2.919 -21.868 1.00 0.00 H new ATOM 0 HA2 GLY B 83 -1.001 5.720 -21.934 1.00 0.00 H new ATOM 0 HA3 GLY B 83 -0.386 4.676 -23.199 1.00 0.00 H new ATOM 983 N VAL B 84 -2.959 4.136 -24.091 1.00 0.00 N ATOM 984 CA VAL B 84 -4.133 4.297 -24.941 1.00 0.00 C ATOM 985 C VAL B 84 -5.300 4.889 -24.159 1.00 0.00 C ATOM 986 O VAL B 84 -5.824 5.946 -24.513 1.00 0.00 O ATOM 987 CB VAL B 84 -4.570 2.953 -25.554 1.00 0.00 C ATOM 988 CG1 VAL B 84 -5.939 3.082 -26.203 1.00 0.00 C ATOM 989 CG2 VAL B 84 -3.538 2.466 -26.560 1.00 0.00 C ATOM 0 H VAL B 84 -2.566 3.195 -24.089 1.00 0.00 H new ATOM 0 HA VAL B 84 -3.852 4.980 -25.743 1.00 0.00 H new ATOM 0 HB VAL B 84 -4.641 2.215 -24.755 1.00 0.00 H new ATOM 0 HG11 VAL B 84 -6.231 2.123 -26.630 1.00 0.00 H new ATOM 0 HG12 VAL B 84 -6.670 3.383 -25.453 1.00 0.00 H new ATOM 0 HG13 VAL B 84 -5.898 3.833 -26.992 1.00 0.00 H new ATOM 0 HG21 VAL B 84 -3.863 1.515 -26.983 1.00 0.00 H new ATOM 0 HG22 VAL B 84 -3.432 3.201 -27.358 1.00 0.00 H new ATOM 0 HG23 VAL B 84 -2.578 2.332 -26.061 1.00 0.00 H new ATOM 999 N ILE B 85 -5.702 4.202 -23.095 1.00 0.00 N ATOM 1000 CA ILE B 85 -6.806 4.662 -22.262 1.00 0.00 C ATOM 1001 C ILE B 85 -6.556 6.076 -21.749 1.00 0.00 C ATOM 1002 O ILE B 85 -7.467 6.901 -21.702 1.00 0.00 O ATOM 1003 CB ILE B 85 -7.034 3.725 -21.061 1.00 0.00 C ATOM 1004 CG1 ILE B 85 -7.384 2.316 -21.545 1.00 0.00 C ATOM 1005 CG2 ILE B 85 -8.134 4.271 -20.164 1.00 0.00 C ATOM 1006 CD1 ILE B 85 -8.699 2.242 -22.289 1.00 0.00 C ATOM 0 H ILE B 85 -5.280 3.325 -22.790 1.00 0.00 H new ATOM 0 HA ILE B 85 -7.697 4.658 -22.890 1.00 0.00 H new ATOM 0 HB ILE B 85 -6.113 3.672 -20.481 1.00 0.00 H new ATOM 0 HG12 ILE B 85 -6.587 1.956 -22.195 1.00 0.00 H new ATOM 0 HG13 ILE B 85 -7.423 1.645 -20.687 1.00 0.00 H new ATOM 0 HG21 ILE B 85 -8.283 3.598 -19.320 1.00 0.00 H new ATOM 0 HG22 ILE B 85 -7.848 5.256 -19.796 1.00 0.00 H new ATOM 0 HG23 ILE B 85 -9.061 4.351 -20.732 1.00 0.00 H new ATOM 0 HD11 ILE B 85 -8.882 1.214 -22.602 1.00 0.00 H new ATOM 0 HD12 ILE B 85 -9.506 2.572 -21.635 1.00 0.00 H new ATOM 0 HD13 ILE B 85 -8.657 2.887 -23.167 1.00 0.00 H new ATOM 1018 N GLY B 86 -5.312 6.350 -21.366 1.00 0.00 N ATOM 1019 CA GLY B 86 -4.964 7.665 -20.863 1.00 0.00 C ATOM 1020 C GLY B 86 -5.230 8.762 -21.874 1.00 0.00 C ATOM 1021 O GLY B 86 -5.901 9.749 -21.570 1.00 0.00 O ATOM 0 H GLY B 86 -4.540 5.684 -21.395 1.00 0.00 H new ATOM 0 HA2 GLY B 86 -5.533 7.866 -19.956 1.00 0.00 H new ATOM 0 HA3 GLY B 86 -3.910 7.678 -20.587 1.00 0.00 H new ATOM 1025 N THR B 87 -4.702 8.592 -23.082 1.00 0.00 N ATOM 1026 CA THR B 87 -4.884 9.577 -24.141 1.00 0.00 C ATOM 1027 C THR B 87 -6.363 9.823 -24.415 1.00 0.00 C ATOM 1028 O THR B 87 -6.792 10.966 -24.576 1.00 0.00 O ATOM 1029 CB THR B 87 -4.200 9.130 -25.447 1.00 0.00 C ATOM 1030 OG1 THR B 87 -2.943 8.510 -25.154 1.00 0.00 O ATOM 1031 CG2 THR B 87 -3.983 10.315 -26.377 1.00 0.00 C ATOM 0 H THR B 87 -4.145 7.781 -23.351 1.00 0.00 H new ATOM 0 HA THR B 87 -4.422 10.502 -23.795 1.00 0.00 H new ATOM 0 HB THR B 87 -4.851 8.412 -25.945 1.00 0.00 H new ATOM 0 HG1 THR B 87 -2.516 8.975 -24.405 1.00 0.00 H new ATOM 0 HG21 THR B 87 -3.499 9.975 -27.292 1.00 0.00 H new ATOM 0 HG22 THR B 87 -4.944 10.767 -26.621 1.00 0.00 H new ATOM 0 HG23 THR B 87 -3.350 11.053 -25.884 1.00 0.00 H new ATOM 1039 N ILE B 88 -7.139 8.745 -24.466 1.00 0.00 N ATOM 1040 CA ILE B 88 -8.571 8.846 -24.718 1.00 0.00 C ATOM 1041 C ILE B 88 -9.242 9.773 -23.712 1.00 0.00 C ATOM 1042 O ILE B 88 -9.968 10.695 -24.088 1.00 0.00 O ATOM 1043 CB ILE B 88 -9.251 7.465 -24.661 1.00 0.00 C ATOM 1044 CG1 ILE B 88 -8.636 6.526 -25.701 1.00 0.00 C ATOM 1045 CG2 ILE B 88 -10.749 7.603 -24.884 1.00 0.00 C ATOM 1046 CD1 ILE B 88 -8.807 5.060 -25.367 1.00 0.00 C ATOM 0 H ILE B 88 -6.800 7.792 -24.336 1.00 0.00 H new ATOM 0 HA ILE B 88 -8.687 9.258 -25.721 1.00 0.00 H new ATOM 0 HB ILE B 88 -9.089 7.037 -23.672 1.00 0.00 H new ATOM 0 HG12 ILE B 88 -9.090 6.725 -26.672 1.00 0.00 H new ATOM 0 HG13 ILE B 88 -7.573 6.747 -25.795 1.00 0.00 H new ATOM 0 HG21 ILE B 88 -11.215 6.619 -24.841 1.00 0.00 H new ATOM 0 HG22 ILE B 88 -11.175 8.241 -24.109 1.00 0.00 H new ATOM 0 HG23 ILE B 88 -10.932 8.049 -25.862 1.00 0.00 H new ATOM 0 HD11 ILE B 88 -8.347 4.453 -26.147 1.00 0.00 H new ATOM 0 HD12 ILE B 88 -8.328 4.846 -24.411 1.00 0.00 H new ATOM 0 HD13 ILE B 88 -9.869 4.823 -25.302 1.00 0.00 H new ATOM 1058 N LEU B 89 -8.995 9.525 -22.430 1.00 0.00 N ATOM 1059 CA LEU B 89 -9.575 10.339 -21.367 1.00 0.00 C ATOM 1060 C LEU B 89 -9.213 11.809 -21.550 1.00 0.00 C ATOM 1061 O LEU B 89 -10.088 12.677 -21.573 1.00 0.00 O ATOM 1062 CB LEU B 89 -9.091 9.849 -20.001 1.00 0.00 C ATOM 1063 CG LEU B 89 -9.734 8.561 -19.485 1.00 0.00 C ATOM 1064 CD1 LEU B 89 -8.776 7.817 -18.568 1.00 0.00 C ATOM 1065 CD2 LEU B 89 -11.037 8.868 -18.761 1.00 0.00 C ATOM 0 H LEU B 89 -8.397 8.767 -22.102 1.00 0.00 H new ATOM 0 HA LEU B 89 -10.659 10.241 -21.418 1.00 0.00 H new ATOM 0 HB2 LEU B 89 -8.013 9.698 -20.052 1.00 0.00 H new ATOM 0 HB3 LEU B 89 -9.268 10.638 -19.270 1.00 0.00 H new ATOM 0 HG LEU B 89 -9.958 7.922 -20.339 1.00 0.00 H new ATOM 0 HD11 LEU B 89 -9.250 6.903 -18.210 1.00 0.00 H new ATOM 0 HD12 LEU B 89 -7.869 7.564 -19.117 1.00 0.00 H new ATOM 0 HD13 LEU B 89 -8.521 8.450 -17.718 1.00 0.00 H new ATOM 0 HD21 LEU B 89 -11.480 7.940 -18.401 1.00 0.00 H new ATOM 0 HD22 LEU B 89 -10.837 9.527 -17.916 1.00 0.00 H new ATOM 0 HD23 LEU B 89 -11.728 9.358 -19.447 1.00 0.00 H new ATOM 1077 N LEU B 90 -7.920 12.084 -21.680 1.00 0.00 N ATOM 1078 CA LEU B 90 -7.442 13.450 -21.863 1.00 0.00 C ATOM 1079 C LEU B 90 -8.078 14.089 -23.093 1.00 0.00 C ATOM 1080 O LEU B 90 -8.615 15.195 -23.022 1.00 0.00 O ATOM 1081 CB LEU B 90 -5.918 13.464 -21.997 1.00 0.00 C ATOM 1082 CG LEU B 90 -5.139 12.792 -20.866 1.00 0.00 C ATOM 1083 CD1 LEU B 90 -3.783 12.315 -21.362 1.00 0.00 C ATOM 1084 CD2 LEU B 90 -4.973 13.746 -19.692 1.00 0.00 C ATOM 0 H LEU B 90 -7.183 11.379 -21.662 1.00 0.00 H new ATOM 0 HA LEU B 90 -7.729 14.030 -20.986 1.00 0.00 H new ATOM 0 HB2 LEU B 90 -5.651 12.977 -22.935 1.00 0.00 H new ATOM 0 HB3 LEU B 90 -5.589 14.501 -22.072 1.00 0.00 H new ATOM 0 HG LEU B 90 -5.705 11.925 -20.527 1.00 0.00 H new ATOM 0 HD11 LEU B 90 -3.243 11.839 -20.543 1.00 0.00 H new ATOM 0 HD12 LEU B 90 -3.923 11.597 -22.170 1.00 0.00 H new ATOM 0 HD13 LEU B 90 -3.210 13.166 -21.729 1.00 0.00 H new ATOM 0 HD21 LEU B 90 -4.416 13.251 -18.897 1.00 0.00 H new ATOM 0 HD22 LEU B 90 -4.429 14.633 -20.018 1.00 0.00 H new ATOM 0 HD23 LEU B 90 -5.955 14.039 -19.320 1.00 0.00 H new ATOM 1096 N ILE B 91 -8.014 13.385 -24.219 1.00 0.00 N ATOM 1097 CA ILE B 91 -8.587 13.883 -25.463 1.00 0.00 C ATOM 1098 C ILE B 91 -10.070 14.200 -25.298 1.00 0.00 C ATOM 1099 O ILE B 91 -10.530 15.279 -25.673 1.00 0.00 O ATOM 1100 CB ILE B 91 -8.416 12.867 -26.608 1.00 0.00 C ATOM 1101 CG1 ILE B 91 -6.935 12.707 -26.959 1.00 0.00 C ATOM 1102 CG2 ILE B 91 -9.211 13.305 -27.828 1.00 0.00 C ATOM 1103 CD1 ILE B 91 -6.634 11.455 -27.754 1.00 0.00 C ATOM 0 H ILE B 91 -7.571 12.469 -24.295 1.00 0.00 H new ATOM 0 HA ILE B 91 -8.048 14.797 -25.714 1.00 0.00 H new ATOM 0 HB ILE B 91 -8.798 11.901 -26.278 1.00 0.00 H new ATOM 0 HG12 ILE B 91 -6.609 13.577 -27.529 1.00 0.00 H new ATOM 0 HG13 ILE B 91 -6.351 12.692 -26.039 1.00 0.00 H new ATOM 0 HG21 ILE B 91 -9.080 12.577 -28.628 1.00 0.00 H new ATOM 0 HG22 ILE B 91 -10.268 13.373 -27.569 1.00 0.00 H new ATOM 0 HG23 ILE B 91 -8.856 14.280 -28.163 1.00 0.00 H new ATOM 0 HD11 ILE B 91 -5.566 11.407 -27.967 1.00 0.00 H new ATOM 0 HD12 ILE B 91 -6.929 10.578 -27.177 1.00 0.00 H new ATOM 0 HD13 ILE B 91 -7.190 11.477 -28.691 1.00 0.00 H new ATOM 1115 N SER B 92 -10.812 13.254 -24.733 1.00 0.00 N ATOM 1116 CA SER B 92 -12.244 13.431 -24.519 1.00 0.00 C ATOM 1117 C SER B 92 -12.521 14.700 -23.719 1.00 0.00 C ATOM 1118 O SER B 92 -13.577 15.317 -23.858 1.00 0.00 O ATOM 1119 CB SER B 92 -12.826 12.218 -23.792 1.00 0.00 C ATOM 1120 OG SER B 92 -13.986 12.572 -23.058 1.00 0.00 O ATOM 0 H SER B 92 -10.446 12.357 -24.415 1.00 0.00 H new ATOM 0 HA SER B 92 -12.723 13.525 -25.493 1.00 0.00 H new ATOM 0 HB2 SER B 92 -13.072 11.440 -24.515 1.00 0.00 H new ATOM 0 HB3 SER B 92 -12.078 11.801 -23.118 1.00 0.00 H new ATOM 0 HG SER B 92 -14.340 11.779 -22.604 1.00 0.00 H new ATOM 1126 N TYR B 93 -11.564 15.083 -22.880 1.00 0.00 N ATOM 1127 CA TYR B 93 -11.705 16.276 -22.054 1.00 0.00 C ATOM 1128 C TYR B 93 -11.566 17.541 -22.897 1.00 0.00 C ATOM 1129 O TYR B 93 -12.252 18.535 -22.663 1.00 0.00 O ATOM 1130 CB TYR B 93 -10.659 16.276 -20.939 1.00 0.00 C ATOM 1131 CG TYR B 93 -11.039 17.132 -19.752 1.00 0.00 C ATOM 1132 CD1 TYR B 93 -12.222 16.907 -19.059 1.00 0.00 C ATOM 1133 CD2 TYR B 93 -10.215 18.164 -19.322 1.00 0.00 C ATOM 1134 CE1 TYR B 93 -12.574 17.687 -17.974 1.00 0.00 C ATOM 1135 CE2 TYR B 93 -10.558 18.949 -18.238 1.00 0.00 C ATOM 1136 CZ TYR B 93 -11.739 18.706 -17.568 1.00 0.00 C ATOM 1137 OH TYR B 93 -12.085 19.485 -16.487 1.00 0.00 O ATOM 0 H TYR B 93 -10.683 14.585 -22.754 1.00 0.00 H new ATOM 0 HA TYR B 93 -12.700 16.264 -21.609 1.00 0.00 H new ATOM 0 HB2 TYR B 93 -10.500 15.252 -20.602 1.00 0.00 H new ATOM 0 HB3 TYR B 93 -9.710 16.630 -21.342 1.00 0.00 H new ATOM 0 HD1 TYR B 93 -12.878 16.109 -19.374 1.00 0.00 H new ATOM 0 HD2 TYR B 93 -9.289 18.356 -19.844 1.00 0.00 H new ATOM 0 HE1 TYR B 93 -13.498 17.499 -17.447 1.00 0.00 H new ATOM 0 HE2 TYR B 93 -9.906 19.748 -17.917 1.00 0.00 H new ATOM 0 HH TYR B 93 -11.389 20.157 -16.332 1.00 0.00 H new ATOM 1147 N GLY B 94 -10.671 17.494 -23.880 1.00 0.00 N ATOM 1148 CA GLY B 94 -10.458 18.641 -24.743 1.00 0.00 C ATOM 1149 C GLY B 94 -11.679 18.975 -25.576 1.00 0.00 C ATOM 1150 O GLY B 94 -11.980 20.147 -25.805 1.00 0.00 O ATOM 0 H GLY B 94 -10.091 16.683 -24.093 1.00 0.00 H new ATOM 0 HA2 GLY B 94 -10.190 19.505 -24.134 1.00 0.00 H new ATOM 0 HA3 GLY B 94 -9.614 18.443 -25.404 1.00 0.00 H new ATOM 1154 N ILE B 95 -12.384 17.945 -26.031 1.00 0.00 N ATOM 1155 CA ILE B 95 -13.579 18.136 -26.843 1.00 0.00 C ATOM 1156 C ILE B 95 -14.685 18.814 -26.042 1.00 0.00 C ATOM 1157 O ILE B 95 -15.493 19.562 -26.592 1.00 0.00 O ATOM 1158 CB ILE B 95 -14.106 16.797 -27.393 1.00 0.00 C ATOM 1159 CG1 ILE B 95 -13.036 16.115 -28.248 1.00 0.00 C ATOM 1160 CG2 ILE B 95 -15.375 17.019 -28.201 1.00 0.00 C ATOM 1161 CD1 ILE B 95 -13.290 14.641 -28.472 1.00 0.00 C ATOM 0 H ILE B 95 -12.148 16.969 -25.851 1.00 0.00 H new ATOM 0 HA ILE B 95 -13.294 18.776 -27.678 1.00 0.00 H new ATOM 0 HB ILE B 95 -14.343 16.144 -26.553 1.00 0.00 H new ATOM 0 HG12 ILE B 95 -12.980 16.617 -29.214 1.00 0.00 H new ATOM 0 HG13 ILE B 95 -12.065 16.239 -27.768 1.00 0.00 H new ATOM 0 HG21 ILE B 95 -15.735 16.064 -28.583 1.00 0.00 H new ATOM 0 HG22 ILE B 95 -16.138 17.466 -27.564 1.00 0.00 H new ATOM 0 HG23 ILE B 95 -15.163 17.687 -29.036 1.00 0.00 H new ATOM 0 HD11 ILE B 95 -12.492 14.223 -29.086 1.00 0.00 H new ATOM 0 HD12 ILE B 95 -13.316 14.126 -27.512 1.00 0.00 H new ATOM 0 HD13 ILE B 95 -14.245 14.510 -28.980 1.00 0.00 H new ATOM 1173 N ARG B 96 -14.713 18.549 -24.740 1.00 0.00 N ATOM 1174 CA ARG B 96 -15.720 19.135 -23.863 1.00 0.00 C ATOM 1175 C ARG B 96 -15.416 20.606 -23.593 1.00 0.00 C ATOM 1176 O ARG B 96 -16.320 21.398 -23.330 1.00 0.00 O ATOM 1177 CB ARG B 96 -15.786 18.366 -22.542 1.00 0.00 C ATOM 1178 CG ARG B 96 -16.938 17.377 -22.470 1.00 0.00 C ATOM 1179 CD ARG B 96 -16.707 16.332 -21.390 1.00 0.00 C ATOM 1180 NE ARG B 96 -17.957 15.724 -20.941 1.00 0.00 N ATOM 1181 CZ ARG B 96 -18.855 16.357 -20.194 1.00 0.00 C ATOM 1182 NH1 ARG B 96 -18.642 17.609 -19.814 1.00 0.00 N ATOM 1183 NH2 ARG B 96 -19.969 15.737 -19.825 1.00 0.00 N ATOM 0 H ARG B 96 -14.050 17.933 -24.269 1.00 0.00 H new ATOM 0 HA ARG B 96 -16.686 19.067 -24.364 1.00 0.00 H new ATOM 0 HB2 ARG B 96 -14.848 17.830 -22.396 1.00 0.00 H new ATOM 0 HB3 ARG B 96 -15.877 19.077 -21.721 1.00 0.00 H new ATOM 0 HG2 ARG B 96 -17.866 17.912 -22.268 1.00 0.00 H new ATOM 0 HG3 ARG B 96 -17.057 16.885 -23.435 1.00 0.00 H new ATOM 0 HD2 ARG B 96 -16.043 15.556 -21.772 1.00 0.00 H new ATOM 0 HD3 ARG B 96 -16.203 16.793 -20.541 1.00 0.00 H new ATOM 0 HE ARG B 96 -18.151 14.761 -21.216 1.00 0.00 H new ATOM 0 HH11 ARG B 96 -17.787 18.089 -20.095 1.00 0.00 H new ATOM 0 HH12 ARG B 96 -19.333 18.093 -19.241 1.00 0.00 H new ATOM 0 HH21 ARG B 96 -20.136 14.774 -20.115 1.00 0.00 H new ATOM 0 HH22 ARG B 96 -20.658 16.224 -19.251 1.00 0.00 H new ATOM 1197 N ARG B 97 -14.138 20.963 -23.660 1.00 0.00 N ATOM 1198 CA ARG B 97 -13.715 22.337 -23.421 1.00 0.00 C ATOM 1199 C ARG B 97 -14.045 22.768 -21.995 1.00 0.00 C ATOM 1200 O ARG B 97 -14.274 23.948 -21.729 1.00 0.00 O ATOM 1201 CB ARG B 97 -14.388 23.281 -24.419 1.00 0.00 C ATOM 1202 CG ARG B 97 -13.576 24.531 -24.719 1.00 0.00 C ATOM 1203 CD ARG B 97 -13.815 25.023 -26.138 1.00 0.00 C ATOM 1204 NE ARG B 97 -12.854 26.051 -26.530 1.00 0.00 N ATOM 1205 CZ ARG B 97 -13.038 26.876 -27.554 1.00 0.00 C ATOM 1206 NH1 ARG B 97 -14.141 26.795 -28.286 1.00 0.00 N ATOM 1207 NH2 ARG B 97 -12.117 27.785 -27.849 1.00 0.00 N ATOM 0 H ARG B 97 -13.377 20.319 -23.878 1.00 0.00 H new ATOM 0 HA ARG B 97 -12.635 22.386 -23.556 1.00 0.00 H new ATOM 0 HB2 ARG B 97 -14.568 22.743 -25.350 1.00 0.00 H new ATOM 0 HB3 ARG B 97 -15.362 23.576 -24.027 1.00 0.00 H new ATOM 0 HG2 ARG B 97 -13.840 25.317 -24.011 1.00 0.00 H new ATOM 0 HG3 ARG B 97 -12.516 24.320 -24.580 1.00 0.00 H new ATOM 0 HD2 ARG B 97 -13.749 24.183 -26.829 1.00 0.00 H new ATOM 0 HD3 ARG B 97 -14.826 25.423 -26.218 1.00 0.00 H new ATOM 0 HE ARG B 97 -11.995 26.140 -25.988 1.00 0.00 H new ATOM 0 HH11 ARG B 97 -14.851 26.097 -28.063 1.00 0.00 H new ATOM 0 HH12 ARG B 97 -14.279 27.430 -29.072 1.00 0.00 H new ATOM 0 HH21 ARG B 97 -11.267 27.850 -27.289 1.00 0.00 H new ATOM 0 HH22 ARG B 97 -12.259 28.418 -28.636 1.00 0.00 H new ATOM 1221 N LEU B 98 -14.068 21.803 -21.082 1.00 0.00 N ATOM 1222 CA LEU B 98 -14.370 22.082 -19.682 1.00 0.00 C ATOM 1223 C LEU B 98 -13.143 22.625 -18.958 1.00 0.00 C ATOM 1224 O LEU B 98 -12.262 23.226 -19.572 1.00 0.00 O ATOM 1225 CB LEU B 98 -14.868 20.814 -18.986 1.00 0.00 C ATOM 1226 CG LEU B 98 -15.617 21.022 -17.669 1.00 0.00 C ATOM 1227 CD1 LEU B 98 -17.066 21.399 -17.933 1.00 0.00 C ATOM 1228 CD2 LEU B 98 -15.538 19.770 -16.807 1.00 0.00 C ATOM 0 H LEU B 98 -13.881 20.821 -21.286 1.00 0.00 H new ATOM 0 HA LEU B 98 -15.153 22.840 -19.648 1.00 0.00 H new ATOM 0 HB2 LEU B 98 -15.524 20.280 -19.673 1.00 0.00 H new ATOM 0 HB3 LEU B 98 -14.011 20.168 -18.796 1.00 0.00 H new ATOM 0 HG LEU B 98 -15.143 21.841 -17.129 1.00 0.00 H new ATOM 0 HD11 LEU B 98 -17.583 21.543 -16.984 1.00 0.00 H new ATOM 0 HD12 LEU B 98 -17.102 22.323 -18.510 1.00 0.00 H new ATOM 0 HD13 LEU B 98 -17.553 20.602 -18.494 1.00 0.00 H new ATOM 0 HD21 LEU B 98 -16.076 19.936 -15.874 1.00 0.00 H new ATOM 0 HD22 LEU B 98 -15.987 18.932 -17.341 1.00 0.00 H new ATOM 0 HD23 LEU B 98 -14.494 19.544 -16.588 1.00 0.00 H new TER 1240 LEU B 98