USER MOD reduce.3.24.130724 H: found=0, std=0, add=644, rem=0, adj=12 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 Single : A 63 GLN : amide:sc= -0.168 X(o=-0.17,f=-0.044) USER MOD Single : A 66 HIS : no HD1:sc= -0.589 X(o=-0.59,f=-0.54) USER MOD Single : A 67 HIS : no HE2:sc= -1.2 K(o=-1.2,f=-2) USER MOD Single : A 69 SER OG : rot 15:sc= 0.586 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 71:sc= -0.671 USER MOD Single : A 92 SER OG : rot 180:sc= 0 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) USER MOD Single : B 66 HIS : no HD1:sc= 0 X(o=0,f=-0.0012) USER MOD Single : B 67 HIS : no HD1:sc= -0.25 X(o=-0.25,f=-0.059) USER MOD Single : B 69 SER OG : rot 180:sc= 0.405 USER MOD Single : B 74 THR OG1 : rot 180:sc= 0 USER MOD Single : B 81 MET CE :methyl 165:sc=-0.00312 (180deg=-0.231) USER MOD Single : B 87 THR OG1 : rot -70:sc= 0.0106 USER MOD Single : B 92 SER OG : rot 180:sc= 0 USER MOD Single : B 93 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 61 3.008 -17.740 -14.558 1.00 0.00 N ATOM 2 CA ARG A 61 4.222 -18.248 -13.932 1.00 0.00 C ATOM 3 C ARG A 61 5.363 -17.244 -14.065 1.00 0.00 C ATOM 4 O ARG A 61 6.358 -17.505 -14.742 1.00 0.00 O ATOM 5 CB ARG A 61 4.627 -19.582 -14.562 1.00 0.00 C ATOM 6 CG ARG A 61 3.520 -20.624 -14.545 1.00 0.00 C ATOM 7 CD ARG A 61 4.083 -22.036 -14.610 1.00 0.00 C ATOM 8 NE ARG A 61 3.609 -22.761 -15.786 1.00 0.00 N ATOM 9 CZ ARG A 61 4.123 -22.606 -17.001 1.00 0.00 C ATOM 10 NH1 ARG A 61 5.122 -21.758 -17.198 1.00 0.00 N ATOM 11 NH2 ARG A 61 3.638 -23.302 -18.021 1.00 0.00 N ATOM 0 HA ARG A 61 4.017 -18.402 -12.873 1.00 0.00 H new ATOM 0 HB2 ARG A 61 4.936 -19.409 -15.593 1.00 0.00 H new ATOM 0 HB3 ARG A 61 5.494 -19.976 -14.032 1.00 0.00 H new ATOM 0 HG2 ARG A 61 2.925 -20.510 -13.639 1.00 0.00 H new ATOM 0 HG3 ARG A 61 2.850 -20.459 -15.389 1.00 0.00 H new ATOM 0 HD2 ARG A 61 5.172 -21.992 -14.626 1.00 0.00 H new ATOM 0 HD3 ARG A 61 3.800 -22.581 -13.710 1.00 0.00 H new ATOM 0 HE ARG A 61 2.841 -23.422 -15.668 1.00 0.00 H new ATOM 0 HH11 ARG A 61 5.498 -21.222 -16.416 1.00 0.00 H new ATOM 0 HH12 ARG A 61 5.515 -21.641 -18.132 1.00 0.00 H new ATOM 0 HH21 ARG A 61 2.870 -23.957 -17.872 1.00 0.00 H new ATOM 0 HH22 ARG A 61 4.033 -23.183 -18.954 1.00 0.00 H new ATOM 25 N VAL A 62 5.212 -16.095 -13.414 1.00 0.00 N ATOM 26 CA VAL A 62 6.230 -15.051 -13.459 1.00 0.00 C ATOM 27 C VAL A 62 6.065 -14.073 -12.301 1.00 0.00 C ATOM 28 O VAL A 62 5.002 -13.481 -12.124 1.00 0.00 O ATOM 29 CB VAL A 62 6.176 -14.272 -14.787 1.00 0.00 C ATOM 30 CG1 VAL A 62 4.786 -13.697 -15.013 1.00 0.00 C ATOM 31 CG2 VAL A 62 7.226 -13.171 -14.801 1.00 0.00 C ATOM 0 H VAL A 62 4.395 -15.863 -12.849 1.00 0.00 H new ATOM 0 HA VAL A 62 7.197 -15.547 -13.377 1.00 0.00 H new ATOM 0 HB VAL A 62 6.394 -14.962 -15.602 1.00 0.00 H new ATOM 0 HG11 VAL A 62 4.767 -13.150 -15.956 1.00 0.00 H new ATOM 0 HG12 VAL A 62 4.058 -14.508 -15.049 1.00 0.00 H new ATOM 0 HG13 VAL A 62 4.535 -13.020 -14.196 1.00 0.00 H new ATOM 0 HG21 VAL A 62 7.174 -12.631 -15.746 1.00 0.00 H new ATOM 0 HG22 VAL A 62 7.041 -12.481 -13.978 1.00 0.00 H new ATOM 0 HG23 VAL A 62 8.217 -13.612 -14.689 1.00 0.00 H new ATOM 41 N GLN A 63 7.126 -13.910 -11.517 1.00 0.00 N ATOM 42 CA GLN A 63 7.099 -13.003 -10.376 1.00 0.00 C ATOM 43 C GLN A 63 7.353 -11.565 -10.817 1.00 0.00 C ATOM 44 O GLN A 63 7.605 -11.301 -11.993 1.00 0.00 O ATOM 45 CB GLN A 63 8.141 -13.423 -9.339 1.00 0.00 C ATOM 46 CG GLN A 63 7.555 -13.696 -7.963 1.00 0.00 C ATOM 47 CD GLN A 63 6.628 -14.895 -7.950 1.00 0.00 C ATOM 48 OE1 GLN A 63 5.480 -14.802 -7.515 1.00 0.00 O ATOM 49 NE2 GLN A 63 7.122 -16.030 -8.430 1.00 0.00 N ATOM 0 H GLN A 63 8.014 -14.394 -11.651 1.00 0.00 H new ATOM 0 HA GLN A 63 6.108 -13.055 -9.926 1.00 0.00 H new ATOM 0 HB2 GLN A 63 8.651 -14.319 -9.692 1.00 0.00 H new ATOM 0 HB3 GLN A 63 8.894 -12.639 -9.255 1.00 0.00 H new ATOM 0 HG2 GLN A 63 8.366 -13.861 -7.253 1.00 0.00 H new ATOM 0 HG3 GLN A 63 7.009 -12.816 -7.624 1.00 0.00 H new ATOM 0 HE21 GLN A 63 8.079 -16.062 -8.781 1.00 0.00 H new ATOM 0 HE22 GLN A 63 6.544 -16.870 -8.448 1.00 0.00 H new ATOM 58 N LEU A 64 7.285 -10.640 -9.866 1.00 0.00 N ATOM 59 CA LEU A 64 7.508 -9.227 -10.156 1.00 0.00 C ATOM 60 C LEU A 64 7.809 -8.450 -8.879 1.00 0.00 C ATOM 61 O LEU A 64 7.647 -8.966 -7.774 1.00 0.00 O ATOM 62 CB LEU A 64 6.285 -8.631 -10.855 1.00 0.00 C ATOM 63 CG LEU A 64 4.930 -8.944 -10.219 1.00 0.00 C ATOM 64 CD1 LEU A 64 4.719 -8.102 -8.970 1.00 0.00 C ATOM 65 CD2 LEU A 64 3.806 -8.710 -11.218 1.00 0.00 C ATOM 0 H LEU A 64 7.077 -10.842 -8.888 1.00 0.00 H new ATOM 0 HA LEU A 64 8.371 -9.148 -10.818 1.00 0.00 H new ATOM 0 HB2 LEU A 64 6.405 -7.548 -10.893 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.271 -8.986 -11.885 1.00 0.00 H new ATOM 0 HG LEU A 64 4.920 -9.995 -9.930 1.00 0.00 H new ATOM 0 HD11 LEU A 64 3.750 -8.338 -8.531 1.00 0.00 H new ATOM 0 HD12 LEU A 64 5.507 -8.318 -8.248 1.00 0.00 H new ATOM 0 HD13 LEU A 64 4.749 -7.045 -9.234 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.849 -8.938 -10.749 1.00 0.00 H new ATOM 0 HD22 LEU A 64 3.815 -7.668 -11.538 1.00 0.00 H new ATOM 0 HD23 LEU A 64 3.948 -9.357 -12.084 1.00 0.00 H new ATOM 77 N ALA A 65 8.245 -7.205 -9.039 1.00 0.00 N ATOM 78 CA ALA A 65 8.563 -6.355 -7.898 1.00 0.00 C ATOM 79 C ALA A 65 9.415 -7.102 -6.878 1.00 0.00 C ATOM 80 O ALA A 65 9.131 -7.076 -5.680 1.00 0.00 O ATOM 81 CB ALA A 65 7.286 -5.842 -7.249 1.00 0.00 C ATOM 0 H ALA A 65 8.386 -6.763 -9.947 1.00 0.00 H new ATOM 0 HA ALA A 65 9.140 -5.504 -8.260 1.00 0.00 H new ATOM 0 HB1 ALA A 65 7.539 -5.209 -6.399 1.00 0.00 H new ATOM 0 HB2 ALA A 65 6.716 -5.263 -7.976 1.00 0.00 H new ATOM 0 HB3 ALA A 65 6.687 -6.686 -6.907 1.00 0.00 H new ATOM 87 N HIS A 66 10.460 -7.767 -7.359 1.00 0.00 N ATOM 88 CA HIS A 66 11.353 -8.522 -6.488 1.00 0.00 C ATOM 89 C HIS A 66 12.706 -8.745 -7.158 1.00 0.00 C ATOM 90 O HIS A 66 12.945 -9.788 -7.766 1.00 0.00 O ATOM 91 CB HIS A 66 10.726 -9.867 -6.120 1.00 0.00 C ATOM 92 CG HIS A 66 11.140 -10.374 -4.773 1.00 0.00 C ATOM 93 ND1 HIS A 66 10.244 -10.626 -3.756 1.00 0.00 N ATOM 94 CD2 HIS A 66 12.363 -10.677 -4.280 1.00 0.00 C ATOM 95 CE1 HIS A 66 10.899 -11.061 -2.694 1.00 0.00 C ATOM 96 NE2 HIS A 66 12.186 -11.101 -2.986 1.00 0.00 N ATOM 0 H HIS A 66 10.709 -7.798 -8.348 1.00 0.00 H new ATOM 0 HA HIS A 66 11.508 -7.941 -5.579 1.00 0.00 H new ATOM 0 HB2 HIS A 66 9.641 -9.771 -6.145 1.00 0.00 H new ATOM 0 HB3 HIS A 66 10.998 -10.604 -6.876 1.00 0.00 H new ATOM 0 HD2 HIS A 66 13.303 -10.600 -4.806 1.00 0.00 H new ATOM 0 HE1 HIS A 66 10.457 -11.337 -1.748 1.00 0.00 H new ATOM 0 HE2 HIS A 66 12.928 -11.399 -2.353 1.00 0.00 H new ATOM 104 N HIS A 67 13.588 -7.756 -7.042 1.00 0.00 N ATOM 105 CA HIS A 67 14.917 -7.844 -7.637 1.00 0.00 C ATOM 106 C HIS A 67 15.725 -6.582 -7.351 1.00 0.00 C ATOM 107 O HIS A 67 15.166 -5.538 -7.016 1.00 0.00 O ATOM 108 CB HIS A 67 14.809 -8.064 -9.146 1.00 0.00 C ATOM 109 CG HIS A 67 15.700 -9.153 -9.658 1.00 0.00 C ATOM 110 ND1 HIS A 67 15.850 -10.366 -9.019 1.00 0.00 N ATOM 111 CD2 HIS A 67 16.490 -9.209 -10.756 1.00 0.00 C ATOM 112 CE1 HIS A 67 16.695 -11.119 -9.700 1.00 0.00 C ATOM 113 NE2 HIS A 67 17.097 -10.441 -10.759 1.00 0.00 N ATOM 0 H HIS A 67 13.406 -6.886 -6.542 1.00 0.00 H new ATOM 0 HA HIS A 67 15.433 -8.693 -7.190 1.00 0.00 H new ATOM 0 HB2 HIS A 67 13.776 -8.303 -9.397 1.00 0.00 H new ATOM 0 HB3 HIS A 67 15.054 -7.134 -9.659 1.00 0.00 H new ATOM 0 HD1 HIS A 67 15.381 -10.639 -8.155 1.00 0.00 H new ATOM 0 HD2 HIS A 67 16.619 -8.430 -11.493 1.00 0.00 H new ATOM 0 HE1 HIS A 67 17.004 -12.119 -9.435 1.00 0.00 H new ATOM 121 N PHE A 68 17.043 -6.687 -7.484 1.00 0.00 N ATOM 122 CA PHE A 68 17.928 -5.554 -7.237 1.00 0.00 C ATOM 123 C PHE A 68 17.581 -4.383 -8.152 1.00 0.00 C ATOM 124 O PHE A 68 17.856 -3.228 -7.830 1.00 0.00 O ATOM 125 CB PHE A 68 19.387 -5.965 -7.448 1.00 0.00 C ATOM 126 CG PHE A 68 20.307 -5.489 -6.360 1.00 0.00 C ATOM 127 CD1 PHE A 68 20.176 -5.966 -5.066 1.00 0.00 C ATOM 128 CD2 PHE A 68 21.301 -4.563 -6.632 1.00 0.00 C ATOM 129 CE1 PHE A 68 21.021 -5.530 -4.063 1.00 0.00 C ATOM 130 CE2 PHE A 68 22.149 -4.123 -5.633 1.00 0.00 C ATOM 131 CZ PHE A 68 22.008 -4.606 -4.347 1.00 0.00 C ATOM 0 H PHE A 68 17.522 -7.544 -7.761 1.00 0.00 H new ATOM 0 HA PHE A 68 17.792 -5.237 -6.203 1.00 0.00 H new ATOM 0 HB2 PHE A 68 19.444 -7.052 -7.512 1.00 0.00 H new ATOM 0 HB3 PHE A 68 19.733 -5.571 -8.404 1.00 0.00 H new ATOM 0 HD1 PHE A 68 19.405 -6.687 -4.838 1.00 0.00 H new ATOM 0 HD2 PHE A 68 21.415 -4.181 -7.636 1.00 0.00 H new ATOM 0 HE1 PHE A 68 20.910 -5.911 -3.059 1.00 0.00 H new ATOM 0 HE2 PHE A 68 22.921 -3.402 -5.858 1.00 0.00 H new ATOM 0 HZ PHE A 68 22.668 -4.262 -3.565 1.00 0.00 H new ATOM 141 N SER A 69 16.975 -4.692 -9.295 1.00 0.00 N ATOM 142 CA SER A 69 16.594 -3.667 -10.259 1.00 0.00 C ATOM 143 C SER A 69 15.434 -4.143 -11.128 1.00 0.00 C ATOM 144 O SER A 69 14.908 -5.238 -10.933 1.00 0.00 O ATOM 145 CB SER A 69 17.788 -3.296 -11.140 1.00 0.00 C ATOM 146 OG SER A 69 18.689 -2.449 -10.449 1.00 0.00 O ATOM 0 H SER A 69 16.738 -5.644 -9.575 1.00 0.00 H new ATOM 0 HA SER A 69 16.272 -2.785 -9.706 1.00 0.00 H new ATOM 0 HB2 SER A 69 18.306 -4.202 -11.456 1.00 0.00 H new ATOM 0 HB3 SER A 69 17.436 -2.798 -12.043 1.00 0.00 H new ATOM 0 HG SER A 69 18.482 -2.463 -9.491 1.00 0.00 H new ATOM 152 N GLU A 70 15.040 -3.310 -12.087 1.00 0.00 N ATOM 153 CA GLU A 70 13.942 -3.646 -12.985 1.00 0.00 C ATOM 154 C GLU A 70 14.219 -3.136 -14.397 1.00 0.00 C ATOM 155 O GLU A 70 13.622 -2.164 -14.861 1.00 0.00 O ATOM 156 CB GLU A 70 12.630 -3.054 -12.466 1.00 0.00 C ATOM 157 CG GLU A 70 12.747 -1.604 -12.028 1.00 0.00 C ATOM 158 CD GLU A 70 11.397 -0.953 -11.797 1.00 0.00 C ATOM 159 OE1 GLU A 70 10.415 -1.689 -11.565 1.00 0.00 O ATOM 160 OE2 GLU A 70 11.323 0.292 -11.847 1.00 0.00 O ATOM 0 H GLU A 70 15.465 -2.399 -12.261 1.00 0.00 H new ATOM 0 HA GLU A 70 13.854 -4.732 -13.020 1.00 0.00 H new ATOM 0 HB2 GLU A 70 11.874 -3.129 -13.247 1.00 0.00 H new ATOM 0 HB3 GLU A 70 12.279 -3.652 -11.625 1.00 0.00 H new ATOM 0 HG2 GLU A 70 13.333 -1.552 -11.110 1.00 0.00 H new ATOM 0 HG3 GLU A 70 13.292 -1.042 -12.787 1.00 0.00 H new ATOM 167 N PRO A 71 15.146 -3.807 -15.096 1.00 0.00 N ATOM 168 CA PRO A 71 15.524 -3.440 -16.464 1.00 0.00 C ATOM 169 C PRO A 71 14.414 -3.731 -17.469 1.00 0.00 C ATOM 170 O PRO A 71 14.472 -4.718 -18.202 1.00 0.00 O ATOM 171 CB PRO A 71 16.743 -4.322 -16.744 1.00 0.00 C ATOM 172 CG PRO A 71 16.577 -5.496 -15.841 1.00 0.00 C ATOM 173 CD PRO A 71 15.897 -4.974 -14.605 1.00 0.00 C ATOM 0 HA PRO A 71 15.722 -2.372 -16.560 1.00 0.00 H new ATOM 0 HB2 PRO A 71 16.778 -4.629 -17.789 1.00 0.00 H new ATOM 0 HB3 PRO A 71 17.672 -3.791 -16.536 1.00 0.00 H new ATOM 0 HG2 PRO A 71 15.979 -6.273 -16.317 1.00 0.00 H new ATOM 0 HG3 PRO A 71 17.542 -5.941 -15.597 1.00 0.00 H new ATOM 0 HD2 PRO A 71 15.236 -5.721 -14.164 1.00 0.00 H new ATOM 0 HD3 PRO A 71 16.618 -4.694 -13.837 1.00 0.00 H new ATOM 181 N GLU A 72 13.406 -2.864 -17.498 1.00 0.00 N ATOM 182 CA GLU A 72 12.284 -3.029 -18.414 1.00 0.00 C ATOM 183 C GLU A 72 11.592 -1.694 -18.673 1.00 0.00 C ATOM 184 O GLU A 72 10.425 -1.654 -19.064 1.00 0.00 O ATOM 185 CB GLU A 72 11.280 -4.036 -17.849 1.00 0.00 C ATOM 186 CG GLU A 72 11.794 -5.466 -17.834 1.00 0.00 C ATOM 187 CD GLU A 72 12.201 -5.955 -19.211 1.00 0.00 C ATOM 188 OE1 GLU A 72 11.511 -5.604 -20.191 1.00 0.00 O ATOM 189 OE2 GLU A 72 13.207 -6.688 -19.308 1.00 0.00 O ATOM 0 H GLU A 72 13.344 -2.041 -16.898 1.00 0.00 H new ATOM 0 HA GLU A 72 12.673 -3.406 -19.360 1.00 0.00 H new ATOM 0 HB2 GLU A 72 11.017 -3.743 -16.833 1.00 0.00 H new ATOM 0 HB3 GLU A 72 10.365 -3.994 -18.440 1.00 0.00 H new ATOM 0 HG2 GLU A 72 12.649 -5.534 -17.161 1.00 0.00 H new ATOM 0 HG3 GLU A 72 11.021 -6.122 -17.434 1.00 0.00 H new ATOM 196 N ILE A 73 12.319 -0.605 -18.451 1.00 0.00 N ATOM 197 CA ILE A 73 11.775 0.731 -18.660 1.00 0.00 C ATOM 198 C ILE A 73 11.438 0.964 -20.128 1.00 0.00 C ATOM 199 O ILE A 73 10.318 1.349 -20.467 1.00 0.00 O ATOM 200 CB ILE A 73 12.760 1.819 -18.192 1.00 0.00 C ATOM 201 CG1 ILE A 73 13.219 1.541 -16.759 1.00 0.00 C ATOM 202 CG2 ILE A 73 12.116 3.194 -18.290 1.00 0.00 C ATOM 203 CD1 ILE A 73 14.202 2.562 -16.230 1.00 0.00 C ATOM 0 H ILE A 73 13.286 -0.621 -18.127 1.00 0.00 H new ATOM 0 HA ILE A 73 10.864 0.797 -18.066 1.00 0.00 H new ATOM 0 HB ILE A 73 13.634 1.801 -18.843 1.00 0.00 H new ATOM 0 HG12 ILE A 73 12.347 1.516 -16.105 1.00 0.00 H new ATOM 0 HG13 ILE A 73 13.677 0.553 -16.718 1.00 0.00 H new ATOM 0 HG21 ILE A 73 12.824 3.952 -17.956 1.00 0.00 H new ATOM 0 HG22 ILE A 73 11.835 3.391 -19.324 1.00 0.00 H new ATOM 0 HG23 ILE A 73 11.227 3.225 -17.660 1.00 0.00 H new ATOM 0 HD11 ILE A 73 14.483 2.301 -15.210 1.00 0.00 H new ATOM 0 HD12 ILE A 73 15.091 2.572 -16.860 1.00 0.00 H new ATOM 0 HD13 ILE A 73 13.741 3.550 -16.238 1.00 0.00 H new ATOM 215 N THR A 74 12.414 0.726 -20.999 1.00 0.00 N ATOM 216 CA THR A 74 12.222 0.909 -22.432 1.00 0.00 C ATOM 217 C THR A 74 10.939 0.234 -22.905 1.00 0.00 C ATOM 218 O THR A 74 10.142 0.831 -23.630 1.00 0.00 O ATOM 219 CB THR A 74 13.410 0.347 -23.235 1.00 0.00 C ATOM 220 OG1 THR A 74 14.624 0.986 -22.824 1.00 0.00 O ATOM 221 CG2 THR A 74 13.202 0.554 -24.727 1.00 0.00 C ATOM 0 H THR A 74 13.346 0.406 -20.736 1.00 0.00 H new ATOM 0 HA THR A 74 12.151 1.983 -22.607 1.00 0.00 H new ATOM 0 HB THR A 74 13.478 -0.723 -23.040 1.00 0.00 H new ATOM 0 HG1 THR A 74 15.375 0.622 -23.338 1.00 0.00 H new ATOM 0 HG21 THR A 74 14.054 0.149 -25.273 1.00 0.00 H new ATOM 0 HG22 THR A 74 12.293 0.042 -25.042 1.00 0.00 H new ATOM 0 HG23 THR A 74 13.110 1.620 -24.937 1.00 0.00 H new ATOM 229 N LEU A 75 10.745 -1.013 -22.491 1.00 0.00 N ATOM 230 CA LEU A 75 9.558 -1.770 -22.872 1.00 0.00 C ATOM 231 C LEU A 75 8.288 -1.045 -22.437 1.00 0.00 C ATOM 232 O LEU A 75 7.407 -0.772 -23.253 1.00 0.00 O ATOM 233 CB LEU A 75 9.599 -3.167 -22.251 1.00 0.00 C ATOM 234 CG LEU A 75 10.485 -4.191 -22.962 1.00 0.00 C ATOM 235 CD1 LEU A 75 11.940 -4.009 -22.558 1.00 0.00 C ATOM 236 CD2 LEU A 75 10.017 -5.606 -22.654 1.00 0.00 C ATOM 0 H LEU A 75 11.395 -1.522 -21.891 1.00 0.00 H new ATOM 0 HA LEU A 75 9.549 -1.862 -23.958 1.00 0.00 H new ATOM 0 HB2 LEU A 75 9.940 -3.075 -21.220 1.00 0.00 H new ATOM 0 HB3 LEU A 75 8.582 -3.558 -22.217 1.00 0.00 H new ATOM 0 HG LEU A 75 10.405 -4.029 -24.037 1.00 0.00 H new ATOM 0 HD11 LEU A 75 12.556 -4.746 -23.074 1.00 0.00 H new ATOM 0 HD12 LEU A 75 12.270 -3.006 -22.830 1.00 0.00 H new ATOM 0 HD13 LEU A 75 12.038 -4.144 -21.481 1.00 0.00 H new ATOM 0 HD21 LEU A 75 10.659 -6.321 -23.168 1.00 0.00 H new ATOM 0 HD22 LEU A 75 10.068 -5.780 -21.579 1.00 0.00 H new ATOM 0 HD23 LEU A 75 8.989 -5.731 -22.994 1.00 0.00 H new ATOM 248 N ILE A 76 8.201 -0.735 -21.148 1.00 0.00 N ATOM 249 CA ILE A 76 7.041 -0.039 -20.606 1.00 0.00 C ATOM 250 C ILE A 76 6.804 1.282 -21.330 1.00 0.00 C ATOM 251 O ILE A 76 5.668 1.629 -21.655 1.00 0.00 O ATOM 252 CB ILE A 76 7.202 0.236 -19.100 1.00 0.00 C ATOM 253 CG1 ILE A 76 7.386 -1.077 -18.336 1.00 0.00 C ATOM 254 CG2 ILE A 76 5.998 0.999 -18.569 1.00 0.00 C ATOM 255 CD1 ILE A 76 6.171 -1.977 -18.380 1.00 0.00 C ATOM 0 H ILE A 76 8.920 -0.955 -20.459 1.00 0.00 H new ATOM 0 HA ILE A 76 6.182 -0.693 -20.758 1.00 0.00 H new ATOM 0 HB ILE A 76 8.091 0.849 -18.951 1.00 0.00 H new ATOM 0 HG12 ILE A 76 8.240 -1.613 -18.751 1.00 0.00 H new ATOM 0 HG13 ILE A 76 7.625 -0.853 -17.296 1.00 0.00 H new ATOM 0 HG21 ILE A 76 6.127 1.186 -17.503 1.00 0.00 H new ATOM 0 HG22 ILE A 76 5.908 1.949 -19.096 1.00 0.00 H new ATOM 0 HG23 ILE A 76 5.095 0.410 -18.727 1.00 0.00 H new ATOM 0 HD11 ILE A 76 6.373 -2.889 -17.818 1.00 0.00 H new ATOM 0 HD12 ILE A 76 5.319 -1.460 -17.939 1.00 0.00 H new ATOM 0 HD13 ILE A 76 5.944 -2.232 -19.415 1.00 0.00 H new ATOM 267 N ILE A 77 7.884 2.014 -21.582 1.00 0.00 N ATOM 268 CA ILE A 77 7.795 3.295 -22.271 1.00 0.00 C ATOM 269 C ILE A 77 7.307 3.116 -23.705 1.00 0.00 C ATOM 270 O ILE A 77 6.392 3.806 -24.152 1.00 0.00 O ATOM 271 CB ILE A 77 9.153 4.021 -22.290 1.00 0.00 C ATOM 272 CG1 ILE A 77 9.587 4.373 -20.865 1.00 0.00 C ATOM 273 CG2 ILE A 77 9.073 5.273 -23.150 1.00 0.00 C ATOM 274 CD1 ILE A 77 8.752 5.463 -20.231 1.00 0.00 C ATOM 0 H ILE A 77 8.831 1.741 -21.319 1.00 0.00 H new ATOM 0 HA ILE A 77 7.077 3.900 -21.718 1.00 0.00 H new ATOM 0 HB ILE A 77 9.899 3.354 -22.723 1.00 0.00 H new ATOM 0 HG12 ILE A 77 9.532 3.478 -20.246 1.00 0.00 H new ATOM 0 HG13 ILE A 77 10.631 4.688 -20.879 1.00 0.00 H new ATOM 0 HG21 ILE A 77 10.041 5.775 -23.153 1.00 0.00 H new ATOM 0 HG22 ILE A 77 8.804 4.997 -24.170 1.00 0.00 H new ATOM 0 HG23 ILE A 77 8.317 5.945 -22.744 1.00 0.00 H new ATOM 0 HD11 ILE A 77 9.116 5.660 -19.223 1.00 0.00 H new ATOM 0 HD12 ILE A 77 8.826 6.372 -20.828 1.00 0.00 H new ATOM 0 HD13 ILE A 77 7.711 5.143 -20.185 1.00 0.00 H new ATOM 286 N PHE A 78 7.925 2.182 -24.421 1.00 0.00 N ATOM 287 CA PHE A 78 7.554 1.910 -25.805 1.00 0.00 C ATOM 288 C PHE A 78 6.071 1.564 -25.913 1.00 0.00 C ATOM 289 O PHE A 78 5.362 2.083 -26.773 1.00 0.00 O ATOM 290 CB PHE A 78 8.399 0.765 -26.367 1.00 0.00 C ATOM 291 CG PHE A 78 7.994 0.344 -27.750 1.00 0.00 C ATOM 292 CD1 PHE A 78 8.286 1.142 -28.845 1.00 0.00 C ATOM 293 CD2 PHE A 78 7.322 -0.850 -27.957 1.00 0.00 C ATOM 294 CE1 PHE A 78 7.914 0.757 -30.119 1.00 0.00 C ATOM 295 CE2 PHE A 78 6.948 -1.241 -29.229 1.00 0.00 C ATOM 296 CZ PHE A 78 7.245 -0.436 -30.312 1.00 0.00 C ATOM 0 H PHE A 78 8.685 1.601 -24.066 1.00 0.00 H new ATOM 0 HA PHE A 78 7.742 2.811 -26.389 1.00 0.00 H new ATOM 0 HB2 PHE A 78 9.446 1.069 -26.380 1.00 0.00 H new ATOM 0 HB3 PHE A 78 8.325 -0.093 -25.698 1.00 0.00 H new ATOM 0 HD1 PHE A 78 8.810 2.075 -28.701 1.00 0.00 H new ATOM 0 HD2 PHE A 78 7.088 -1.483 -27.114 1.00 0.00 H new ATOM 0 HE1 PHE A 78 8.146 1.389 -30.964 1.00 0.00 H new ATOM 0 HE2 PHE A 78 6.425 -2.174 -29.376 1.00 0.00 H new ATOM 0 HZ PHE A 78 6.955 -0.739 -31.307 1.00 0.00 H new ATOM 306 N GLY A 79 5.611 0.680 -25.032 1.00 0.00 N ATOM 307 CA GLY A 79 4.216 0.278 -25.045 1.00 0.00 C ATOM 308 C GLY A 79 3.272 1.455 -24.906 1.00 0.00 C ATOM 309 O GLY A 79 2.391 1.656 -25.742 1.00 0.00 O ATOM 0 H GLY A 79 6.179 0.236 -24.310 1.00 0.00 H new ATOM 0 HA2 GLY A 79 4.001 -0.248 -25.975 1.00 0.00 H new ATOM 0 HA3 GLY A 79 4.036 -0.426 -24.232 1.00 0.00 H new ATOM 313 N VAL A 80 3.454 2.236 -23.845 1.00 0.00 N ATOM 314 CA VAL A 80 2.611 3.399 -23.598 1.00 0.00 C ATOM 315 C VAL A 80 2.755 4.429 -24.714 1.00 0.00 C ATOM 316 O VAL A 80 1.794 5.108 -25.073 1.00 0.00 O ATOM 317 CB VAL A 80 2.954 4.065 -22.253 1.00 0.00 C ATOM 318 CG1 VAL A 80 2.033 5.248 -21.992 1.00 0.00 C ATOM 319 CG2 VAL A 80 2.867 3.053 -21.120 1.00 0.00 C ATOM 0 H VAL A 80 4.178 2.084 -23.143 1.00 0.00 H new ATOM 0 HA VAL A 80 1.581 3.043 -23.566 1.00 0.00 H new ATOM 0 HB VAL A 80 3.978 4.435 -22.302 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.291 5.706 -21.037 1.00 0.00 H new ATOM 0 HG12 VAL A 80 2.149 5.982 -22.789 1.00 0.00 H new ATOM 0 HG13 VAL A 80 0.999 4.904 -21.962 1.00 0.00 H new ATOM 0 HG21 VAL A 80 3.113 3.541 -20.177 1.00 0.00 H new ATOM 0 HG22 VAL A 80 1.855 2.651 -21.068 1.00 0.00 H new ATOM 0 HG23 VAL A 80 3.571 2.241 -21.303 1.00 0.00 H new ATOM 329 N MET A 81 3.963 4.539 -25.258 1.00 0.00 N ATOM 330 CA MET A 81 4.232 5.485 -26.334 1.00 0.00 C ATOM 331 C MET A 81 3.493 5.085 -27.607 1.00 0.00 C ATOM 332 O MET A 81 2.843 5.913 -28.245 1.00 0.00 O ATOM 333 CB MET A 81 5.736 5.565 -26.607 1.00 0.00 C ATOM 334 CG MET A 81 6.496 6.390 -25.582 1.00 0.00 C ATOM 335 SD MET A 81 6.486 8.153 -25.963 1.00 0.00 S ATOM 336 CE MET A 81 7.771 8.744 -24.865 1.00 0.00 C ATOM 0 H MET A 81 4.770 3.985 -24.971 1.00 0.00 H new ATOM 0 HA MET A 81 3.874 6.466 -26.020 1.00 0.00 H new ATOM 0 HB2 MET A 81 6.148 4.556 -26.627 1.00 0.00 H new ATOM 0 HB3 MET A 81 5.895 5.993 -27.597 1.00 0.00 H new ATOM 0 HG2 MET A 81 6.057 6.233 -24.597 1.00 0.00 H new ATOM 0 HG3 MET A 81 7.527 6.039 -25.531 1.00 0.00 H new ATOM 0 HE1 MET A 81 7.884 9.822 -24.984 1.00 0.00 H new ATOM 0 HE2 MET A 81 7.500 8.520 -23.833 1.00 0.00 H new ATOM 0 HE3 MET A 81 8.712 8.251 -25.108 1.00 0.00 H new ATOM 346 N ALA A 82 3.598 3.811 -27.971 1.00 0.00 N ATOM 347 CA ALA A 82 2.938 3.302 -29.167 1.00 0.00 C ATOM 348 C ALA A 82 1.421 3.354 -29.021 1.00 0.00 C ATOM 349 O ALA A 82 0.713 3.766 -29.939 1.00 0.00 O ATOM 350 CB ALA A 82 3.394 1.879 -29.456 1.00 0.00 C ATOM 0 H ALA A 82 4.134 3.113 -27.455 1.00 0.00 H new ATOM 0 HA ALA A 82 3.218 3.939 -30.006 1.00 0.00 H new ATOM 0 HB1 ALA A 82 2.893 1.511 -30.352 1.00 0.00 H new ATOM 0 HB2 ALA A 82 4.473 1.867 -29.613 1.00 0.00 H new ATOM 0 HB3 ALA A 82 3.143 1.238 -28.611 1.00 0.00 H new ATOM 356 N GLY A 83 0.927 2.932 -27.861 1.00 0.00 N ATOM 357 CA GLY A 83 -0.503 2.939 -27.617 1.00 0.00 C ATOM 358 C GLY A 83 -1.090 4.336 -27.648 1.00 0.00 C ATOM 359 O GLY A 83 -2.071 4.590 -28.348 1.00 0.00 O ATOM 0 H GLY A 83 1.492 2.585 -27.086 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -0.999 2.323 -28.367 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -0.705 2.485 -26.647 1.00 0.00 H new ATOM 363 N VAL A 84 -0.491 5.245 -26.886 1.00 0.00 N ATOM 364 CA VAL A 84 -0.961 6.624 -26.829 1.00 0.00 C ATOM 365 C VAL A 84 -1.038 7.237 -28.222 1.00 0.00 C ATOM 366 O VAL A 84 -2.109 7.642 -28.675 1.00 0.00 O ATOM 367 CB VAL A 84 -0.044 7.493 -25.947 1.00 0.00 C ATOM 368 CG1 VAL A 84 -0.358 8.969 -26.143 1.00 0.00 C ATOM 369 CG2 VAL A 84 -0.182 7.100 -24.485 1.00 0.00 C ATOM 0 H VAL A 84 0.321 5.051 -26.300 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.959 6.600 -26.391 1.00 0.00 H new ATOM 0 HB VAL A 84 0.989 7.322 -26.249 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.299 9.568 -25.512 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.203 9.238 -27.188 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -1.396 9.160 -25.870 1.00 0.00 H new ATOM 0 HG21 VAL A 84 0.473 7.724 -23.877 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.215 7.240 -24.167 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.097 6.054 -24.362 1.00 0.00 H new ATOM 379 N ILE A 85 0.104 7.301 -28.898 1.00 0.00 N ATOM 380 CA ILE A 85 0.165 7.862 -30.242 1.00 0.00 C ATOM 381 C ILE A 85 -0.822 7.168 -31.174 1.00 0.00 C ATOM 382 O ILE A 85 -1.445 7.806 -32.021 1.00 0.00 O ATOM 383 CB ILE A 85 1.582 7.748 -30.836 1.00 0.00 C ATOM 384 CG1 ILE A 85 2.459 8.901 -30.344 1.00 0.00 C ATOM 385 CG2 ILE A 85 1.519 7.733 -32.356 1.00 0.00 C ATOM 386 CD1 ILE A 85 2.997 8.698 -28.945 1.00 0.00 C ATOM 0 H ILE A 85 0.999 6.971 -28.537 1.00 0.00 H new ATOM 0 HA ILE A 85 -0.101 8.916 -30.156 1.00 0.00 H new ATOM 0 HB ILE A 85 2.027 6.811 -30.501 1.00 0.00 H new ATOM 0 HG12 ILE A 85 3.296 9.029 -31.031 1.00 0.00 H new ATOM 0 HG13 ILE A 85 1.880 9.824 -30.371 1.00 0.00 H new ATOM 0 HG21 ILE A 85 2.528 7.652 -32.761 1.00 0.00 H new ATOM 0 HG22 ILE A 85 0.925 6.881 -32.687 1.00 0.00 H new ATOM 0 HG23 ILE A 85 1.059 8.655 -32.710 1.00 0.00 H new ATOM 0 HD11 ILE A 85 3.610 9.554 -28.663 1.00 0.00 H new ATOM 0 HD12 ILE A 85 2.166 8.600 -28.246 1.00 0.00 H new ATOM 0 HD13 ILE A 85 3.604 7.793 -28.916 1.00 0.00 H new ATOM 398 N GLY A 86 -0.960 5.856 -31.009 1.00 0.00 N ATOM 399 CA GLY A 86 -1.874 5.096 -31.842 1.00 0.00 C ATOM 400 C GLY A 86 -3.308 5.571 -31.711 1.00 0.00 C ATOM 401 O GLY A 86 -3.969 5.860 -32.709 1.00 0.00 O ATOM 0 H GLY A 86 -0.455 5.306 -30.314 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -1.562 5.174 -32.884 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -1.817 4.042 -31.571 1.00 0.00 H new ATOM 405 N THR A 87 -3.793 5.649 -30.475 1.00 0.00 N ATOM 406 CA THR A 87 -5.158 6.089 -30.217 1.00 0.00 C ATOM 407 C THR A 87 -5.405 7.481 -30.787 1.00 0.00 C ATOM 408 O THR A 87 -6.442 7.736 -31.400 1.00 0.00 O ATOM 409 CB THR A 87 -5.468 6.102 -28.708 1.00 0.00 C ATOM 410 OG1 THR A 87 -4.966 4.910 -28.094 1.00 0.00 O ATOM 411 CG2 THR A 87 -6.966 6.212 -28.464 1.00 0.00 C ATOM 0 H THR A 87 -3.260 5.413 -29.638 1.00 0.00 H new ATOM 0 HA THR A 87 -5.818 5.376 -30.710 1.00 0.00 H new ATOM 0 HB THR A 87 -4.979 6.971 -28.267 1.00 0.00 H new ATOM 0 HG1 THR A 87 -3.987 4.939 -28.075 1.00 0.00 H new ATOM 0 HG21 THR A 87 -7.160 6.219 -27.391 1.00 0.00 H new ATOM 0 HG22 THR A 87 -7.340 7.135 -28.907 1.00 0.00 H new ATOM 0 HG23 THR A 87 -7.472 5.360 -28.919 1.00 0.00 H new ATOM 419 N ILE A 88 -4.446 8.378 -30.582 1.00 0.00 N ATOM 420 CA ILE A 88 -4.559 9.744 -31.077 1.00 0.00 C ATOM 421 C ILE A 88 -4.831 9.763 -32.578 1.00 0.00 C ATOM 422 O ILE A 88 -5.774 10.406 -33.041 1.00 0.00 O ATOM 423 CB ILE A 88 -3.283 10.555 -30.787 1.00 0.00 C ATOM 424 CG1 ILE A 88 -3.075 10.699 -29.278 1.00 0.00 C ATOM 425 CG2 ILE A 88 -3.363 11.923 -31.449 1.00 0.00 C ATOM 426 CD1 ILE A 88 -4.144 11.526 -28.597 1.00 0.00 C ATOM 0 H ILE A 88 -3.582 8.183 -30.076 1.00 0.00 H new ATOM 0 HA ILE A 88 -5.397 10.202 -30.552 1.00 0.00 H new ATOM 0 HB ILE A 88 -2.429 10.021 -31.203 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -3.051 9.707 -28.826 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -2.102 11.156 -29.095 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -2.454 12.485 -31.235 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -3.468 11.800 -32.527 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -4.225 12.466 -31.060 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -3.933 11.586 -27.529 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -4.153 12.530 -29.022 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -5.117 11.059 -28.749 1.00 0.00 H new ATOM 438 N LEU A 89 -4.000 9.054 -33.333 1.00 0.00 N ATOM 439 CA LEU A 89 -4.151 8.987 -34.782 1.00 0.00 C ATOM 440 C LEU A 89 -5.540 8.485 -35.163 1.00 0.00 C ATOM 441 O LEU A 89 -6.247 9.117 -35.948 1.00 0.00 O ATOM 442 CB LEU A 89 -3.083 8.073 -35.385 1.00 0.00 C ATOM 443 CG LEU A 89 -1.672 8.655 -35.471 1.00 0.00 C ATOM 444 CD1 LEU A 89 -0.633 7.544 -35.439 1.00 0.00 C ATOM 445 CD2 LEU A 89 -1.517 9.496 -36.729 1.00 0.00 C ATOM 0 H LEU A 89 -3.214 8.517 -32.966 1.00 0.00 H new ATOM 0 HA LEU A 89 -4.027 9.994 -35.181 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -3.041 7.158 -34.795 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -3.400 7.791 -36.389 1.00 0.00 H new ATOM 0 HG LEU A 89 -1.513 9.299 -34.606 1.00 0.00 H new ATOM 0 HD11 LEU A 89 0.365 7.977 -35.501 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -0.728 6.984 -34.509 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -0.791 6.874 -36.284 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -0.506 9.902 -36.773 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -1.697 8.875 -37.606 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -2.236 10.315 -36.710 1.00 0.00 H new ATOM 457 N LEU A 90 -5.926 7.346 -34.599 1.00 0.00 N ATOM 458 CA LEU A 90 -7.233 6.759 -34.876 1.00 0.00 C ATOM 459 C LEU A 90 -8.353 7.737 -34.534 1.00 0.00 C ATOM 460 O LEU A 90 -9.233 7.999 -35.355 1.00 0.00 O ATOM 461 CB LEU A 90 -7.411 5.464 -34.083 1.00 0.00 C ATOM 462 CG LEU A 90 -6.555 4.279 -34.531 1.00 0.00 C ATOM 463 CD1 LEU A 90 -6.474 3.232 -33.431 1.00 0.00 C ATOM 464 CD2 LEU A 90 -7.115 3.670 -35.809 1.00 0.00 C ATOM 0 H LEU A 90 -5.353 6.810 -33.947 1.00 0.00 H new ATOM 0 HA LEU A 90 -7.285 6.535 -35.941 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -7.191 5.670 -33.036 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -8.459 5.170 -34.137 1.00 0.00 H new ATOM 0 HG LEU A 90 -5.547 4.640 -34.735 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -5.861 2.396 -33.768 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -6.027 3.674 -32.540 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -7.476 2.874 -33.195 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -6.493 2.828 -36.114 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -8.133 3.324 -35.631 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -7.120 4.422 -36.598 1.00 0.00 H new ATOM 476 N ILE A 91 -8.311 8.274 -33.320 1.00 0.00 N ATOM 477 CA ILE A 91 -9.321 9.225 -32.871 1.00 0.00 C ATOM 478 C ILE A 91 -9.402 10.424 -33.810 1.00 0.00 C ATOM 479 O ILE A 91 -10.487 10.817 -34.239 1.00 0.00 O ATOM 480 CB ILE A 91 -9.029 9.725 -31.444 1.00 0.00 C ATOM 481 CG1 ILE A 91 -9.786 8.878 -30.419 1.00 0.00 C ATOM 482 CG2 ILE A 91 -9.406 11.192 -31.308 1.00 0.00 C ATOM 483 CD1 ILE A 91 -9.528 7.393 -30.553 1.00 0.00 C ATOM 0 H ILE A 91 -7.589 8.067 -32.630 1.00 0.00 H new ATOM 0 HA ILE A 91 -10.275 8.697 -32.874 1.00 0.00 H new ATOM 0 HB ILE A 91 -7.961 9.626 -31.252 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -9.504 9.198 -29.416 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -10.855 9.064 -30.525 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -9.193 11.530 -30.294 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -8.826 11.784 -32.016 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -10.469 11.315 -31.516 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -10.097 6.855 -29.795 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -9.836 7.058 -31.543 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -8.465 7.195 -30.418 1.00 0.00 H new ATOM 495 N SER A 92 -8.247 11.000 -34.128 1.00 0.00 N ATOM 496 CA SER A 92 -8.187 12.156 -35.015 1.00 0.00 C ATOM 497 C SER A 92 -8.882 11.859 -36.340 1.00 0.00 C ATOM 498 O SER A 92 -9.386 12.765 -37.006 1.00 0.00 O ATOM 499 CB SER A 92 -6.733 12.557 -35.267 1.00 0.00 C ATOM 500 OG SER A 92 -6.649 13.873 -35.786 1.00 0.00 O ATOM 0 H SER A 92 -7.340 10.685 -33.784 1.00 0.00 H new ATOM 0 HA SER A 92 -8.705 12.983 -34.530 1.00 0.00 H new ATOM 0 HB2 SER A 92 -6.168 12.493 -34.337 1.00 0.00 H new ATOM 0 HB3 SER A 92 -6.276 11.857 -35.966 1.00 0.00 H new ATOM 0 HG SER A 92 -5.709 14.106 -35.937 1.00 0.00 H new ATOM 506 N TYR A 93 -8.905 10.586 -36.717 1.00 0.00 N ATOM 507 CA TYR A 93 -9.536 10.169 -37.964 1.00 0.00 C ATOM 508 C TYR A 93 -11.055 10.262 -37.864 1.00 0.00 C ATOM 509 O TYR A 93 -11.732 10.609 -38.831 1.00 0.00 O ATOM 510 CB TYR A 93 -9.123 8.739 -38.315 1.00 0.00 C ATOM 511 CG TYR A 93 -8.345 8.633 -39.607 1.00 0.00 C ATOM 512 CD1 TYR A 93 -8.859 9.140 -40.794 1.00 0.00 C ATOM 513 CD2 TYR A 93 -7.096 8.024 -39.642 1.00 0.00 C ATOM 514 CE1 TYR A 93 -8.153 9.045 -41.977 1.00 0.00 C ATOM 515 CE2 TYR A 93 -6.382 7.926 -40.820 1.00 0.00 C ATOM 516 CZ TYR A 93 -6.914 8.438 -41.985 1.00 0.00 C ATOM 517 OH TYR A 93 -6.206 8.341 -43.161 1.00 0.00 O ATOM 0 H TYR A 93 -8.494 9.824 -36.177 1.00 0.00 H new ATOM 0 HA TYR A 93 -9.201 10.841 -38.754 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -8.519 8.335 -37.503 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -10.017 8.119 -38.387 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -9.828 9.617 -40.791 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -6.677 7.620 -38.732 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -8.568 9.444 -42.891 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -5.412 7.451 -40.829 1.00 0.00 H new ATOM 0 HH TYR A 93 -5.354 7.888 -42.993 1.00 0.00 H new ATOM 527 N GLY A 94 -11.584 9.949 -36.685 1.00 0.00 N ATOM 528 CA GLY A 94 -13.020 10.003 -36.478 1.00 0.00 C ATOM 529 C GLY A 94 -13.572 11.409 -36.610 1.00 0.00 C ATOM 530 O GLY A 94 -14.615 11.617 -37.229 1.00 0.00 O ATOM 0 H GLY A 94 -11.044 9.659 -35.870 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -13.513 9.353 -37.201 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -13.256 9.615 -35.487 1.00 0.00 H new ATOM 534 N ILE A 95 -12.871 12.375 -36.026 1.00 0.00 N ATOM 535 CA ILE A 95 -13.298 13.768 -36.082 1.00 0.00 C ATOM 536 C ILE A 95 -13.247 14.302 -37.509 1.00 0.00 C ATOM 537 O ILE A 95 -14.105 15.082 -37.922 1.00 0.00 O ATOM 538 CB ILE A 95 -12.424 14.660 -35.180 1.00 0.00 C ATOM 539 CG1 ILE A 95 -12.507 14.190 -33.726 1.00 0.00 C ATOM 540 CG2 ILE A 95 -12.856 16.115 -35.298 1.00 0.00 C ATOM 541 CD1 ILE A 95 -11.285 13.426 -33.268 1.00 0.00 C ATOM 0 H ILE A 95 -12.006 12.219 -35.509 1.00 0.00 H new ATOM 0 HA ILE A 95 -14.327 13.798 -35.723 1.00 0.00 H new ATOM 0 HB ILE A 95 -11.388 14.580 -35.509 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -12.647 15.057 -33.080 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -13.387 13.558 -33.607 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -12.230 16.734 -34.655 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -12.750 16.443 -36.332 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -13.898 16.211 -34.991 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -11.413 13.124 -32.229 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -11.155 12.540 -33.890 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -10.404 14.062 -33.355 1.00 0.00 H new ATOM 553 N ARG A 96 -12.236 13.875 -38.259 1.00 0.00 N ATOM 554 CA ARG A 96 -12.073 14.310 -39.641 1.00 0.00 C ATOM 555 C ARG A 96 -13.080 13.615 -40.552 1.00 0.00 C ATOM 556 O ARG A 96 -13.461 14.148 -41.594 1.00 0.00 O ATOM 557 CB ARG A 96 -10.650 14.025 -40.124 1.00 0.00 C ATOM 558 CG ARG A 96 -9.709 15.210 -39.984 1.00 0.00 C ATOM 559 CD ARG A 96 -8.452 15.026 -40.819 1.00 0.00 C ATOM 560 NE ARG A 96 -7.484 16.096 -40.594 1.00 0.00 N ATOM 561 CZ ARG A 96 -6.193 15.994 -40.891 1.00 0.00 C ATOM 562 NH1 ARG A 96 -5.719 14.876 -41.423 1.00 0.00 N ATOM 563 NH2 ARG A 96 -5.374 17.011 -40.657 1.00 0.00 N ATOM 0 H ARG A 96 -11.518 13.228 -37.933 1.00 0.00 H new ATOM 0 HA ARG A 96 -12.254 15.384 -39.681 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -10.246 13.183 -39.561 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -10.685 13.721 -41.170 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -10.222 16.121 -40.292 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -9.436 15.337 -38.936 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -7.994 14.067 -40.578 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -8.720 14.995 -41.875 1.00 0.00 H new ATOM 0 HE ARG A 96 -7.817 16.970 -40.186 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -6.346 14.092 -41.605 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -4.728 14.800 -41.650 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -5.735 17.873 -40.248 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -4.383 16.931 -40.886 1.00 0.00 H new ATOM 577 N ARG A 97 -13.507 12.421 -40.152 1.00 0.00 N ATOM 578 CA ARG A 97 -14.468 11.652 -40.933 1.00 0.00 C ATOM 579 C ARG A 97 -13.958 11.427 -42.353 1.00 0.00 C ATOM 580 O ARG A 97 -14.743 11.237 -43.283 1.00 0.00 O ATOM 581 CB ARG A 97 -15.817 12.371 -40.972 1.00 0.00 C ATOM 582 CG ARG A 97 -16.995 11.443 -41.221 1.00 0.00 C ATOM 583 CD ARG A 97 -18.277 11.997 -40.620 1.00 0.00 C ATOM 584 NE ARG A 97 -19.446 11.211 -41.006 1.00 0.00 N ATOM 585 CZ ARG A 97 -20.698 11.612 -40.813 1.00 0.00 C ATOM 586 NH1 ARG A 97 -20.942 12.784 -40.243 1.00 0.00 N ATOM 587 NH2 ARG A 97 -21.709 10.840 -41.191 1.00 0.00 N ATOM 0 H ARG A 97 -13.202 11.966 -39.292 1.00 0.00 H new ATOM 0 HA ARG A 97 -14.595 10.682 -40.453 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -15.969 12.892 -40.027 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -15.792 13.130 -41.754 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -17.127 11.300 -42.294 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -16.785 10.463 -40.792 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -18.192 12.011 -39.533 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -18.412 13.030 -40.942 1.00 0.00 H new ATOM 0 HE ARG A 97 -19.293 10.305 -41.448 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -20.168 13.380 -39.951 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -21.904 13.089 -40.096 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -21.525 9.938 -41.630 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -22.670 11.149 -41.042 1.00 0.00 H new ATOM 601 N LEU A 98 -12.639 11.449 -42.513 1.00 0.00 N ATOM 602 CA LEU A 98 -12.024 11.248 -43.820 1.00 0.00 C ATOM 603 C LEU A 98 -10.591 10.745 -43.676 1.00 0.00 C ATOM 604 O LEU A 98 -9.733 11.496 -43.214 1.00 0.00 O ATOM 605 CB LEU A 98 -12.041 12.551 -44.620 1.00 0.00 C ATOM 606 CG LEU A 98 -12.549 12.450 -46.059 1.00 0.00 C ATOM 607 CD1 LEU A 98 -13.037 13.804 -46.550 1.00 0.00 C ATOM 608 CD2 LEU A 98 -11.459 11.910 -46.973 1.00 0.00 C ATOM 0 H LEU A 98 -11.975 11.604 -41.754 1.00 0.00 H new ATOM 0 HA LEU A 98 -12.602 10.494 -44.354 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -12.660 13.273 -44.087 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -11.028 12.954 -44.641 1.00 0.00 H new ATOM 0 HG LEU A 98 -13.389 11.756 -46.079 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -13.394 13.712 -47.576 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -13.850 14.151 -45.912 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -12.217 14.521 -46.515 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -11.838 11.845 -47.993 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -10.599 12.579 -46.948 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -11.158 10.919 -46.634 1.00 0.00 H new TER 620 LEU A 98 ATOM 621 N ARG B 61 5.875 -11.633 4.970 1.00 0.00 N ATOM 622 CA ARG B 61 5.706 -13.075 5.093 1.00 0.00 C ATOM 623 C ARG B 61 5.133 -13.667 3.809 1.00 0.00 C ATOM 624 O ARG B 61 4.027 -14.207 3.801 1.00 0.00 O ATOM 625 CB ARG B 61 4.788 -13.404 6.272 1.00 0.00 C ATOM 626 CG ARG B 61 5.365 -13.009 7.622 1.00 0.00 C ATOM 627 CD ARG B 61 4.477 -13.474 8.765 1.00 0.00 C ATOM 628 NE ARG B 61 5.075 -13.200 10.069 1.00 0.00 N ATOM 629 CZ ARG B 61 6.067 -13.916 10.588 1.00 0.00 C ATOM 630 NH1 ARG B 61 6.569 -14.943 9.917 1.00 0.00 N ATOM 631 NH2 ARG B 61 6.558 -13.604 11.781 1.00 0.00 N ATOM 0 HA ARG B 61 6.687 -13.516 5.270 1.00 0.00 H new ATOM 0 HB2 ARG B 61 3.834 -12.896 6.131 1.00 0.00 H new ATOM 0 HB3 ARG B 61 4.582 -14.474 6.274 1.00 0.00 H new ATOM 0 HG2 ARG B 61 6.360 -13.440 7.734 1.00 0.00 H new ATOM 0 HG3 ARG B 61 5.480 -11.926 7.667 1.00 0.00 H new ATOM 0 HD2 ARG B 61 3.510 -12.976 8.698 1.00 0.00 H new ATOM 0 HD3 ARG B 61 4.292 -14.544 8.668 1.00 0.00 H new ATOM 0 HE ARG B 61 4.711 -12.416 10.611 1.00 0.00 H new ATOM 0 HH11 ARG B 61 6.194 -15.185 9.000 1.00 0.00 H new ATOM 0 HH12 ARG B 61 7.330 -15.491 10.318 1.00 0.00 H new ATOM 0 HH21 ARG B 61 6.174 -12.814 12.300 1.00 0.00 H new ATOM 0 HH22 ARG B 61 7.319 -14.154 12.179 1.00 0.00 H new ATOM 645 N VAL B 62 5.893 -13.561 2.724 1.00 0.00 N ATOM 646 CA VAL B 62 5.462 -14.086 1.434 1.00 0.00 C ATOM 647 C VAL B 62 6.490 -15.058 0.864 1.00 0.00 C ATOM 648 O VAL B 62 7.683 -14.759 0.820 1.00 0.00 O ATOM 649 CB VAL B 62 5.226 -12.953 0.417 1.00 0.00 C ATOM 650 CG1 VAL B 62 6.511 -12.176 0.174 1.00 0.00 C ATOM 651 CG2 VAL B 62 4.676 -13.512 -0.886 1.00 0.00 C ATOM 0 H VAL B 62 6.811 -13.116 2.713 1.00 0.00 H new ATOM 0 HA VAL B 62 4.523 -14.613 1.605 1.00 0.00 H new ATOM 0 HB VAL B 62 4.488 -12.266 0.831 1.00 0.00 H new ATOM 0 HG11 VAL B 62 6.324 -11.380 -0.547 1.00 0.00 H new ATOM 0 HG12 VAL B 62 6.857 -11.742 1.112 1.00 0.00 H new ATOM 0 HG13 VAL B 62 7.274 -12.848 -0.218 1.00 0.00 H new ATOM 0 HG21 VAL B 62 4.515 -12.697 -1.592 1.00 0.00 H new ATOM 0 HG22 VAL B 62 5.388 -14.222 -1.307 1.00 0.00 H new ATOM 0 HG23 VAL B 62 3.730 -14.018 -0.694 1.00 0.00 H new ATOM 661 N GLN B 63 6.018 -16.221 0.430 1.00 0.00 N ATOM 662 CA GLN B 63 6.896 -17.238 -0.137 1.00 0.00 C ATOM 663 C GLN B 63 7.341 -16.850 -1.543 1.00 0.00 C ATOM 664 O GLN B 63 6.683 -16.056 -2.217 1.00 0.00 O ATOM 665 CB GLN B 63 6.189 -18.594 -0.168 1.00 0.00 C ATOM 666 CG GLN B 63 5.389 -18.892 1.090 1.00 0.00 C ATOM 667 CD GLN B 63 5.041 -20.361 1.226 1.00 0.00 C ATOM 668 OE1 GLN B 63 5.486 -21.032 2.157 1.00 0.00 O ATOM 669 NE2 GLN B 63 4.241 -20.869 0.295 1.00 0.00 N ATOM 0 H GLN B 63 5.033 -16.483 0.460 1.00 0.00 H new ATOM 0 HA GLN B 63 7.780 -17.313 0.496 1.00 0.00 H new ATOM 0 HB2 GLN B 63 5.522 -18.627 -1.029 1.00 0.00 H new ATOM 0 HB3 GLN B 63 6.932 -19.379 -0.310 1.00 0.00 H new ATOM 0 HG2 GLN B 63 5.960 -18.576 1.963 1.00 0.00 H new ATOM 0 HG3 GLN B 63 4.471 -18.304 1.080 1.00 0.00 H new ATOM 0 HE21 GLN B 63 3.895 -20.276 -0.459 1.00 0.00 H new ATOM 0 HE22 GLN B 63 3.972 -21.852 0.335 1.00 0.00 H new ATOM 678 N LEU B 64 8.460 -17.416 -1.981 1.00 0.00 N ATOM 679 CA LEU B 64 8.994 -17.129 -3.309 1.00 0.00 C ATOM 680 C LEU B 64 10.027 -18.174 -3.717 1.00 0.00 C ATOM 681 O LEU B 64 11.051 -17.847 -4.317 1.00 0.00 O ATOM 682 CB LEU B 64 9.622 -15.735 -3.337 1.00 0.00 C ATOM 683 CG LEU B 64 10.843 -15.531 -2.439 1.00 0.00 C ATOM 684 CD1 LEU B 64 11.820 -14.558 -3.080 1.00 0.00 C ATOM 685 CD2 LEU B 64 10.416 -15.034 -1.065 1.00 0.00 C ATOM 0 H LEU B 64 9.015 -18.076 -1.437 1.00 0.00 H new ATOM 0 HA LEU B 64 8.170 -17.163 -4.021 1.00 0.00 H new ATOM 0 HB2 LEU B 64 9.909 -15.508 -4.364 1.00 0.00 H new ATOM 0 HB3 LEU B 64 8.860 -15.009 -3.051 1.00 0.00 H new ATOM 0 HG LEU B 64 11.346 -16.490 -2.317 1.00 0.00 H new ATOM 0 HD11 LEU B 64 12.682 -14.425 -2.427 1.00 0.00 H new ATOM 0 HD12 LEU B 64 12.150 -14.953 -4.041 1.00 0.00 H new ATOM 0 HD13 LEU B 64 11.329 -13.597 -3.233 1.00 0.00 H new ATOM 0 HD21 LEU B 64 11.297 -14.894 -0.439 1.00 0.00 H new ATOM 0 HD22 LEU B 64 9.890 -14.085 -1.169 1.00 0.00 H new ATOM 0 HD23 LEU B 64 9.755 -15.767 -0.602 1.00 0.00 H new ATOM 697 N ALA B 65 9.750 -19.432 -3.391 1.00 0.00 N ATOM 698 CA ALA B 65 10.653 -20.526 -3.728 1.00 0.00 C ATOM 699 C ALA B 65 10.540 -20.897 -5.203 1.00 0.00 C ATOM 700 O ALA B 65 10.247 -22.043 -5.544 1.00 0.00 O ATOM 701 CB ALA B 65 10.365 -21.737 -2.854 1.00 0.00 C ATOM 0 H ALA B 65 8.907 -19.719 -2.894 1.00 0.00 H new ATOM 0 HA ALA B 65 11.674 -20.192 -3.541 1.00 0.00 H new ATOM 0 HB1 ALA B 65 11.047 -22.546 -3.117 1.00 0.00 H new ATOM 0 HB2 ALA B 65 10.504 -21.471 -1.806 1.00 0.00 H new ATOM 0 HB3 ALA B 65 9.337 -22.063 -3.012 1.00 0.00 H new ATOM 707 N HIS B 66 10.772 -19.920 -6.074 1.00 0.00 N ATOM 708 CA HIS B 66 10.696 -20.144 -7.513 1.00 0.00 C ATOM 709 C HIS B 66 11.479 -19.077 -8.272 1.00 0.00 C ATOM 710 O HIS B 66 11.172 -17.888 -8.185 1.00 0.00 O ATOM 711 CB HIS B 66 9.238 -20.148 -7.973 1.00 0.00 C ATOM 712 CG HIS B 66 8.911 -21.262 -8.919 1.00 0.00 C ATOM 713 ND1 HIS B 66 8.204 -22.385 -8.543 1.00 0.00 N ATOM 714 CD2 HIS B 66 9.197 -21.422 -10.232 1.00 0.00 C ATOM 715 CE1 HIS B 66 8.071 -23.188 -9.583 1.00 0.00 C ATOM 716 NE2 HIS B 66 8.665 -22.626 -10.621 1.00 0.00 N ATOM 0 H HIS B 66 11.014 -18.965 -5.808 1.00 0.00 H new ATOM 0 HA HIS B 66 11.140 -21.116 -7.728 1.00 0.00 H new ATOM 0 HB2 HIS B 66 8.590 -20.222 -7.099 1.00 0.00 H new ATOM 0 HB3 HIS B 66 9.015 -19.196 -8.455 1.00 0.00 H new ATOM 0 HD2 HIS B 66 9.742 -20.731 -10.857 1.00 0.00 H new ATOM 0 HE1 HIS B 66 7.563 -24.141 -9.585 1.00 0.00 H new ATOM 0 HE2 HIS B 66 8.719 -23.023 -11.559 1.00 0.00 H new ATOM 724 N HIS B 67 12.493 -19.509 -9.015 1.00 0.00 N ATOM 725 CA HIS B 67 13.320 -18.591 -9.789 1.00 0.00 C ATOM 726 C HIS B 67 12.456 -17.676 -10.651 1.00 0.00 C ATOM 727 O HIS B 67 11.502 -18.125 -11.288 1.00 0.00 O ATOM 728 CB HIS B 67 14.297 -19.370 -10.670 1.00 0.00 C ATOM 729 CG HIS B 67 13.645 -20.034 -11.844 1.00 0.00 C ATOM 730 ND1 HIS B 67 14.114 -19.911 -13.135 1.00 0.00 N ATOM 731 CD2 HIS B 67 12.554 -20.832 -11.916 1.00 0.00 C ATOM 732 CE1 HIS B 67 13.340 -20.604 -13.950 1.00 0.00 C ATOM 733 NE2 HIS B 67 12.386 -21.173 -13.236 1.00 0.00 N ATOM 0 H HIS B 67 12.762 -20.490 -9.097 1.00 0.00 H new ATOM 0 HA HIS B 67 13.886 -17.974 -9.091 1.00 0.00 H new ATOM 0 HB2 HIS B 67 15.070 -18.691 -11.030 1.00 0.00 H new ATOM 0 HB3 HIS B 67 14.795 -20.127 -10.065 1.00 0.00 H new ATOM 0 HD2 HIS B 67 11.932 -21.143 -11.090 1.00 0.00 H new ATOM 0 HE1 HIS B 67 13.466 -20.691 -15.019 1.00 0.00 H new ATOM 0 HE2 HIS B 67 11.645 -21.769 -13.605 1.00 0.00 H new ATOM 741 N PHE B 68 12.795 -16.391 -10.667 1.00 0.00 N ATOM 742 CA PHE B 68 12.048 -15.414 -11.450 1.00 0.00 C ATOM 743 C PHE B 68 12.015 -15.808 -12.924 1.00 0.00 C ATOM 744 O PHE B 68 13.033 -16.197 -13.497 1.00 0.00 O ATOM 745 CB PHE B 68 12.670 -14.024 -11.296 1.00 0.00 C ATOM 746 CG PHE B 68 13.013 -13.675 -9.876 1.00 0.00 C ATOM 747 CD1 PHE B 68 12.024 -13.593 -8.910 1.00 0.00 C ATOM 748 CD2 PHE B 68 14.326 -13.428 -9.508 1.00 0.00 C ATOM 749 CE1 PHE B 68 12.337 -13.273 -7.602 1.00 0.00 C ATOM 750 CE2 PHE B 68 14.645 -13.108 -8.202 1.00 0.00 C ATOM 751 CZ PHE B 68 13.649 -13.029 -7.248 1.00 0.00 C ATOM 0 H PHE B 68 13.582 -16.002 -10.147 1.00 0.00 H new ATOM 0 HA PHE B 68 11.025 -15.391 -11.076 1.00 0.00 H new ATOM 0 HB2 PHE B 68 13.573 -13.970 -11.903 1.00 0.00 H new ATOM 0 HB3 PHE B 68 11.977 -13.279 -11.688 1.00 0.00 H new ATOM 0 HD1 PHE B 68 10.996 -13.781 -9.182 1.00 0.00 H new ATOM 0 HD2 PHE B 68 15.109 -13.486 -10.250 1.00 0.00 H new ATOM 0 HE1 PHE B 68 11.556 -13.214 -6.858 1.00 0.00 H new ATOM 0 HE2 PHE B 68 15.672 -12.920 -7.927 1.00 0.00 H new ATOM 0 HZ PHE B 68 13.896 -12.777 -6.227 1.00 0.00 H new ATOM 761 N SER B 69 10.838 -15.705 -13.532 1.00 0.00 N ATOM 762 CA SER B 69 10.670 -16.054 -14.938 1.00 0.00 C ATOM 763 C SER B 69 11.266 -14.978 -15.840 1.00 0.00 C ATOM 764 O SER B 69 12.001 -14.105 -15.379 1.00 0.00 O ATOM 765 CB SER B 69 9.187 -16.245 -15.264 1.00 0.00 C ATOM 766 OG SER B 69 9.019 -16.884 -16.518 1.00 0.00 O ATOM 0 H SER B 69 9.986 -15.383 -13.073 1.00 0.00 H new ATOM 0 HA SER B 69 11.199 -16.990 -15.120 1.00 0.00 H new ATOM 0 HB2 SER B 69 8.713 -16.840 -14.483 1.00 0.00 H new ATOM 0 HB3 SER B 69 8.686 -15.277 -15.276 1.00 0.00 H new ATOM 0 HG SER B 69 8.063 -16.996 -16.703 1.00 0.00 H new ATOM 772 N GLU B 70 10.942 -15.048 -17.127 1.00 0.00 N ATOM 773 CA GLU B 70 11.446 -14.080 -18.095 1.00 0.00 C ATOM 774 C GLU B 70 10.312 -13.219 -18.645 1.00 0.00 C ATOM 775 O GLU B 70 9.855 -13.398 -19.774 1.00 0.00 O ATOM 776 CB GLU B 70 12.160 -14.797 -19.243 1.00 0.00 C ATOM 777 CG GLU B 70 12.551 -13.876 -20.386 1.00 0.00 C ATOM 778 CD GLU B 70 13.981 -14.091 -20.845 1.00 0.00 C ATOM 779 OE1 GLU B 70 14.872 -14.205 -19.977 1.00 0.00 O ATOM 780 OE2 GLU B 70 14.208 -14.144 -22.072 1.00 0.00 O ATOM 0 H GLU B 70 10.333 -15.764 -17.524 1.00 0.00 H new ATOM 0 HA GLU B 70 12.157 -13.431 -17.584 1.00 0.00 H new ATOM 0 HB2 GLU B 70 13.056 -15.282 -18.856 1.00 0.00 H new ATOM 0 HB3 GLU B 70 11.512 -15.584 -19.627 1.00 0.00 H new ATOM 0 HG2 GLU B 70 11.875 -14.038 -21.226 1.00 0.00 H new ATOM 0 HG3 GLU B 70 12.426 -12.840 -20.072 1.00 0.00 H new ATOM 787 N PRO B 71 9.846 -12.263 -17.828 1.00 0.00 N ATOM 788 CA PRO B 71 8.760 -11.356 -18.210 1.00 0.00 C ATOM 789 C PRO B 71 9.185 -10.364 -19.288 1.00 0.00 C ATOM 790 O PRO B 71 10.340 -9.941 -19.333 1.00 0.00 O ATOM 791 CB PRO B 71 8.436 -10.621 -16.906 1.00 0.00 C ATOM 792 CG PRO B 71 9.696 -10.684 -16.113 1.00 0.00 C ATOM 793 CD PRO B 71 10.344 -11.994 -16.468 1.00 0.00 C ATOM 0 HA PRO B 71 7.912 -11.893 -18.635 1.00 0.00 H new ATOM 0 HB2 PRO B 71 8.139 -9.590 -17.096 1.00 0.00 H new ATOM 0 HB3 PRO B 71 7.611 -11.098 -16.377 1.00 0.00 H new ATOM 0 HG2 PRO B 71 10.351 -9.847 -16.354 1.00 0.00 H new ATOM 0 HG3 PRO B 71 9.488 -10.629 -15.045 1.00 0.00 H new ATOM 0 HD2 PRO B 71 11.431 -11.924 -16.445 1.00 0.00 H new ATOM 0 HD3 PRO B 71 10.061 -12.784 -15.773 1.00 0.00 H new ATOM 801 N GLU B 72 8.245 -9.999 -20.153 1.00 0.00 N ATOM 802 CA GLU B 72 8.524 -9.057 -21.231 1.00 0.00 C ATOM 803 C GLU B 72 7.244 -8.683 -21.972 1.00 0.00 C ATOM 804 O GLU B 72 6.806 -7.533 -21.935 1.00 0.00 O ATOM 805 CB GLU B 72 9.537 -9.654 -22.210 1.00 0.00 C ATOM 806 CG GLU B 72 9.914 -8.715 -23.344 1.00 0.00 C ATOM 807 CD GLU B 72 10.330 -9.455 -24.600 1.00 0.00 C ATOM 808 OE1 GLU B 72 9.672 -10.460 -24.942 1.00 0.00 O ATOM 809 OE2 GLU B 72 11.314 -9.030 -25.242 1.00 0.00 O ATOM 0 H GLU B 72 7.284 -10.341 -20.129 1.00 0.00 H new ATOM 0 HA GLU B 72 8.945 -8.154 -20.790 1.00 0.00 H new ATOM 0 HB2 GLU B 72 10.439 -9.930 -21.663 1.00 0.00 H new ATOM 0 HB3 GLU B 72 9.126 -10.572 -22.631 1.00 0.00 H new ATOM 0 HG2 GLU B 72 9.067 -8.068 -23.572 1.00 0.00 H new ATOM 0 HG3 GLU B 72 10.730 -8.069 -23.020 1.00 0.00 H new ATOM 816 N ILE B 73 6.649 -9.663 -22.645 1.00 0.00 N ATOM 817 CA ILE B 73 5.419 -9.437 -23.394 1.00 0.00 C ATOM 818 C ILE B 73 4.377 -8.725 -22.538 1.00 0.00 C ATOM 819 O ILE B 73 3.809 -7.712 -22.946 1.00 0.00 O ATOM 820 CB ILE B 73 4.825 -10.760 -23.912 1.00 0.00 C ATOM 821 CG1 ILE B 73 5.878 -11.545 -24.696 1.00 0.00 C ATOM 822 CG2 ILE B 73 3.604 -10.489 -24.779 1.00 0.00 C ATOM 823 CD1 ILE B 73 6.359 -12.790 -23.982 1.00 0.00 C ATOM 0 H ILE B 73 6.999 -10.620 -22.687 1.00 0.00 H new ATOM 0 HA ILE B 73 5.678 -8.807 -24.245 1.00 0.00 H new ATOM 0 HB ILE B 73 4.514 -11.360 -23.057 1.00 0.00 H new ATOM 0 HG12 ILE B 73 5.463 -11.828 -25.663 1.00 0.00 H new ATOM 0 HG13 ILE B 73 6.731 -10.896 -24.893 1.00 0.00 H new ATOM 0 HG21 ILE B 73 3.195 -11.434 -25.138 1.00 0.00 H new ATOM 0 HG22 ILE B 73 2.849 -9.967 -24.191 1.00 0.00 H new ATOM 0 HG23 ILE B 73 3.892 -9.872 -25.630 1.00 0.00 H new ATOM 0 HD11 ILE B 73 7.104 -13.297 -24.596 1.00 0.00 H new ATOM 0 HD12 ILE B 73 6.804 -12.512 -23.026 1.00 0.00 H new ATOM 0 HD13 ILE B 73 5.516 -13.459 -23.809 1.00 0.00 H new ATOM 835 N THR B 74 4.130 -9.262 -21.347 1.00 0.00 N ATOM 836 CA THR B 74 3.157 -8.678 -20.432 1.00 0.00 C ATOM 837 C THR B 74 3.398 -7.184 -20.254 1.00 0.00 C ATOM 838 O THR B 74 2.472 -6.378 -20.360 1.00 0.00 O ATOM 839 CB THR B 74 3.202 -9.362 -19.053 1.00 0.00 C ATOM 840 OG1 THR B 74 3.036 -10.777 -19.201 1.00 0.00 O ATOM 841 CG2 THR B 74 2.117 -8.812 -18.140 1.00 0.00 C ATOM 0 H THR B 74 4.591 -10.101 -20.994 1.00 0.00 H new ATOM 0 HA THR B 74 2.173 -8.834 -20.875 1.00 0.00 H new ATOM 0 HB THR B 74 4.173 -9.156 -18.602 1.00 0.00 H new ATOM 0 HG1 THR B 74 3.068 -11.204 -18.320 1.00 0.00 H new ATOM 0 HG21 THR B 74 2.169 -9.310 -17.172 1.00 0.00 H new ATOM 0 HG22 THR B 74 2.264 -7.740 -18.005 1.00 0.00 H new ATOM 0 HG23 THR B 74 1.139 -8.990 -18.588 1.00 0.00 H new ATOM 849 N LEU B 75 4.646 -6.818 -19.983 1.00 0.00 N ATOM 850 CA LEU B 75 5.008 -5.418 -19.791 1.00 0.00 C ATOM 851 C LEU B 75 4.608 -4.581 -21.001 1.00 0.00 C ATOM 852 O LEU B 75 3.987 -3.527 -20.862 1.00 0.00 O ATOM 853 CB LEU B 75 6.512 -5.290 -19.542 1.00 0.00 C ATOM 854 CG LEU B 75 7.042 -5.960 -18.274 1.00 0.00 C ATOM 855 CD1 LEU B 75 8.556 -5.838 -18.199 1.00 0.00 C ATOM 856 CD2 LEU B 75 6.394 -5.351 -17.039 1.00 0.00 C ATOM 0 H LEU B 75 5.424 -7.471 -19.891 1.00 0.00 H new ATOM 0 HA LEU B 75 4.468 -5.045 -18.921 1.00 0.00 H new ATOM 0 HB2 LEU B 75 7.039 -5.711 -20.398 1.00 0.00 H new ATOM 0 HB3 LEU B 75 6.764 -4.230 -19.502 1.00 0.00 H new ATOM 0 HG LEU B 75 6.785 -7.019 -18.310 1.00 0.00 H new ATOM 0 HD11 LEU B 75 8.915 -6.320 -17.290 1.00 0.00 H new ATOM 0 HD12 LEU B 75 9.003 -6.321 -19.068 1.00 0.00 H new ATOM 0 HD13 LEU B 75 8.836 -4.785 -18.186 1.00 0.00 H new ATOM 0 HD21 LEU B 75 6.783 -5.840 -16.146 1.00 0.00 H new ATOM 0 HD22 LEU B 75 6.620 -4.286 -16.997 1.00 0.00 H new ATOM 0 HD23 LEU B 75 5.314 -5.491 -17.088 1.00 0.00 H new ATOM 868 N ILE B 76 4.967 -5.058 -22.189 1.00 0.00 N ATOM 869 CA ILE B 76 4.642 -4.355 -23.424 1.00 0.00 C ATOM 870 C ILE B 76 3.141 -4.110 -23.538 1.00 0.00 C ATOM 871 O ILE B 76 2.705 -3.001 -23.851 1.00 0.00 O ATOM 872 CB ILE B 76 5.119 -5.140 -24.660 1.00 0.00 C ATOM 873 CG1 ILE B 76 6.610 -5.460 -24.544 1.00 0.00 C ATOM 874 CG2 ILE B 76 4.838 -4.349 -25.929 1.00 0.00 C ATOM 875 CD1 ILE B 76 7.495 -4.233 -24.560 1.00 0.00 C ATOM 0 H ILE B 76 5.483 -5.928 -22.322 1.00 0.00 H new ATOM 0 HA ILE B 76 5.162 -3.398 -23.389 1.00 0.00 H new ATOM 0 HB ILE B 76 4.569 -6.080 -24.711 1.00 0.00 H new ATOM 0 HG12 ILE B 76 6.784 -6.011 -23.620 1.00 0.00 H new ATOM 0 HG13 ILE B 76 6.897 -6.116 -25.366 1.00 0.00 H new ATOM 0 HG21 ILE B 76 5.180 -4.916 -26.795 1.00 0.00 H new ATOM 0 HG22 ILE B 76 3.767 -4.167 -26.015 1.00 0.00 H new ATOM 0 HG23 ILE B 76 5.365 -3.396 -25.888 1.00 0.00 H new ATOM 0 HD11 ILE B 76 8.539 -4.536 -24.474 1.00 0.00 H new ATOM 0 HD12 ILE B 76 7.350 -3.692 -25.495 1.00 0.00 H new ATOM 0 HD13 ILE B 76 7.235 -3.586 -23.722 1.00 0.00 H new ATOM 887 N ILE B 77 2.356 -5.151 -23.282 1.00 0.00 N ATOM 888 CA ILE B 77 0.904 -5.047 -23.353 1.00 0.00 C ATOM 889 C ILE B 77 0.373 -4.051 -22.328 1.00 0.00 C ATOM 890 O ILE B 77 -0.414 -3.164 -22.658 1.00 0.00 O ATOM 891 CB ILE B 77 0.230 -6.413 -23.123 1.00 0.00 C ATOM 892 CG1 ILE B 77 0.717 -7.428 -24.160 1.00 0.00 C ATOM 893 CG2 ILE B 77 -1.284 -6.273 -23.180 1.00 0.00 C ATOM 894 CD1 ILE B 77 -0.021 -8.747 -24.107 1.00 0.00 C ATOM 0 H ILE B 77 2.701 -6.076 -23.024 1.00 0.00 H new ATOM 0 HA ILE B 77 0.661 -4.696 -24.356 1.00 0.00 H new ATOM 0 HB ILE B 77 0.504 -6.775 -22.132 1.00 0.00 H new ATOM 0 HG12 ILE B 77 0.607 -6.999 -25.156 1.00 0.00 H new ATOM 0 HG13 ILE B 77 1.781 -7.610 -24.007 1.00 0.00 H new ATOM 0 HG21 ILE B 77 -1.746 -7.247 -23.016 1.00 0.00 H new ATOM 0 HG22 ILE B 77 -1.615 -5.579 -22.407 1.00 0.00 H new ATOM 0 HG23 ILE B 77 -1.578 -5.893 -24.158 1.00 0.00 H new ATOM 0 HD11 ILE B 77 0.376 -9.417 -24.869 1.00 0.00 H new ATOM 0 HD12 ILE B 77 0.110 -9.198 -23.123 1.00 0.00 H new ATOM 0 HD13 ILE B 77 -1.082 -8.578 -24.290 1.00 0.00 H new ATOM 906 N PHE B 78 0.809 -4.204 -21.082 1.00 0.00 N ATOM 907 CA PHE B 78 0.378 -3.318 -20.007 1.00 0.00 C ATOM 908 C PHE B 78 0.637 -1.858 -20.369 1.00 0.00 C ATOM 909 O PHE B 78 -0.218 -0.997 -20.172 1.00 0.00 O ATOM 910 CB PHE B 78 1.102 -3.669 -18.706 1.00 0.00 C ATOM 911 CG PHE B 78 0.863 -2.681 -17.601 1.00 0.00 C ATOM 912 CD1 PHE B 78 -0.233 -2.809 -16.763 1.00 0.00 C ATOM 913 CD2 PHE B 78 1.734 -1.622 -17.400 1.00 0.00 C ATOM 914 CE1 PHE B 78 -0.455 -1.901 -15.745 1.00 0.00 C ATOM 915 CE2 PHE B 78 1.517 -0.711 -16.384 1.00 0.00 C ATOM 916 CZ PHE B 78 0.420 -0.850 -15.556 1.00 0.00 C ATOM 0 H PHE B 78 1.460 -4.933 -20.792 1.00 0.00 H new ATOM 0 HA PHE B 78 -0.694 -3.454 -19.865 1.00 0.00 H new ATOM 0 HB2 PHE B 78 0.780 -4.656 -18.375 1.00 0.00 H new ATOM 0 HB3 PHE B 78 2.173 -3.732 -18.901 1.00 0.00 H new ATOM 0 HD1 PHE B 78 -0.922 -3.628 -16.907 1.00 0.00 H new ATOM 0 HD2 PHE B 78 2.593 -1.507 -18.045 1.00 0.00 H new ATOM 0 HE1 PHE B 78 -1.312 -2.014 -15.098 1.00 0.00 H new ATOM 0 HE2 PHE B 78 2.204 0.109 -16.237 1.00 0.00 H new ATOM 0 HZ PHE B 78 0.247 -0.138 -14.763 1.00 0.00 H new ATOM 926 N GLY B 79 1.827 -1.589 -20.899 1.00 0.00 N ATOM 927 CA GLY B 79 2.179 -0.233 -21.279 1.00 0.00 C ATOM 928 C GLY B 79 1.218 0.353 -22.293 1.00 0.00 C ATOM 929 O GLY B 79 0.700 1.454 -22.104 1.00 0.00 O ATOM 0 H GLY B 79 2.552 -2.285 -21.072 1.00 0.00 H new ATOM 0 HA2 GLY B 79 2.194 0.398 -20.390 1.00 0.00 H new ATOM 0 HA3 GLY B 79 3.188 -0.225 -21.692 1.00 0.00 H new ATOM 933 N VAL B 80 0.980 -0.382 -23.375 1.00 0.00 N ATOM 934 CA VAL B 80 0.074 0.072 -24.424 1.00 0.00 C ATOM 935 C VAL B 80 -1.353 0.192 -23.903 1.00 0.00 C ATOM 936 O VAL B 80 -2.097 1.087 -24.304 1.00 0.00 O ATOM 937 CB VAL B 80 0.090 -0.885 -25.631 1.00 0.00 C ATOM 938 CG1 VAL B 80 -0.787 -0.346 -26.751 1.00 0.00 C ATOM 939 CG2 VAL B 80 1.514 -1.105 -26.117 1.00 0.00 C ATOM 0 H VAL B 80 1.402 -1.294 -23.548 1.00 0.00 H new ATOM 0 HA VAL B 80 0.425 1.054 -24.743 1.00 0.00 H new ATOM 0 HB VAL B 80 -0.315 -1.847 -25.316 1.00 0.00 H new ATOM 0 HG11 VAL B 80 -0.763 -1.035 -27.595 1.00 0.00 H new ATOM 0 HG12 VAL B 80 -1.812 -0.245 -26.394 1.00 0.00 H new ATOM 0 HG13 VAL B 80 -0.415 0.628 -27.068 1.00 0.00 H new ATOM 0 HG21 VAL B 80 1.507 -1.784 -26.970 1.00 0.00 H new ATOM 0 HG22 VAL B 80 1.948 -0.151 -26.416 1.00 0.00 H new ATOM 0 HG23 VAL B 80 2.110 -1.539 -25.314 1.00 0.00 H new ATOM 949 N MET B 81 -1.729 -0.714 -23.007 1.00 0.00 N ATOM 950 CA MET B 81 -3.068 -0.708 -22.429 1.00 0.00 C ATOM 951 C MET B 81 -3.281 0.530 -21.564 1.00 0.00 C ATOM 952 O MET B 81 -4.330 1.172 -21.629 1.00 0.00 O ATOM 953 CB MET B 81 -3.294 -1.971 -21.596 1.00 0.00 C ATOM 954 CG MET B 81 -3.585 -3.206 -22.433 1.00 0.00 C ATOM 955 SD MET B 81 -4.069 -4.625 -21.431 1.00 0.00 S ATOM 956 CE MET B 81 -5.730 -4.154 -20.956 1.00 0.00 C ATOM 0 H MET B 81 -1.125 -1.462 -22.665 1.00 0.00 H new ATOM 0 HA MET B 81 -3.789 -0.687 -23.246 1.00 0.00 H new ATOM 0 HB2 MET B 81 -2.411 -2.156 -20.985 1.00 0.00 H new ATOM 0 HB3 MET B 81 -4.125 -1.801 -20.912 1.00 0.00 H new ATOM 0 HG2 MET B 81 -4.380 -2.980 -23.144 1.00 0.00 H new ATOM 0 HG3 MET B 81 -2.700 -3.462 -23.016 1.00 0.00 H new ATOM 0 HE1 MET B 81 -6.257 -5.024 -20.565 1.00 0.00 H new ATOM 0 HE2 MET B 81 -5.684 -3.383 -20.187 1.00 0.00 H new ATOM 0 HE3 MET B 81 -6.262 -3.768 -21.826 1.00 0.00 H new ATOM 966 N ALA B 82 -2.280 0.860 -20.754 1.00 0.00 N ATOM 967 CA ALA B 82 -2.358 2.022 -19.878 1.00 0.00 C ATOM 968 C ALA B 82 -2.401 3.316 -20.684 1.00 0.00 C ATOM 969 O ALA B 82 -3.221 4.195 -20.423 1.00 0.00 O ATOM 970 CB ALA B 82 -1.180 2.037 -18.915 1.00 0.00 C ATOM 0 H ALA B 82 -1.406 0.339 -20.687 1.00 0.00 H new ATOM 0 HA ALA B 82 -3.282 1.952 -19.304 1.00 0.00 H new ATOM 0 HB1 ALA B 82 -1.251 2.910 -18.267 1.00 0.00 H new ATOM 0 HB2 ALA B 82 -1.195 1.132 -18.308 1.00 0.00 H new ATOM 0 HB3 ALA B 82 -0.249 2.079 -19.480 1.00 0.00 H new ATOM 976 N GLY B 83 -1.511 3.426 -21.665 1.00 0.00 N ATOM 977 CA GLY B 83 -1.464 4.617 -22.494 1.00 0.00 C ATOM 978 C GLY B 83 -2.737 4.820 -23.290 1.00 0.00 C ATOM 979 O GLY B 83 -3.348 5.887 -23.237 1.00 0.00 O ATOM 0 H GLY B 83 -0.822 2.712 -21.901 1.00 0.00 H new ATOM 0 HA2 GLY B 83 -1.291 5.489 -21.863 1.00 0.00 H new ATOM 0 HA3 GLY B 83 -0.619 4.546 -23.178 1.00 0.00 H new ATOM 983 N VAL B 84 -3.139 3.793 -24.033 1.00 0.00 N ATOM 984 CA VAL B 84 -4.348 3.863 -24.844 1.00 0.00 C ATOM 985 C VAL B 84 -5.551 4.276 -24.004 1.00 0.00 C ATOM 986 O VAL B 84 -6.200 5.285 -24.283 1.00 0.00 O ATOM 987 CB VAL B 84 -4.648 2.513 -25.523 1.00 0.00 C ATOM 988 CG1 VAL B 84 -6.016 2.542 -26.189 1.00 0.00 C ATOM 989 CG2 VAL B 84 -3.562 2.171 -26.531 1.00 0.00 C ATOM 0 H VAL B 84 -2.644 2.903 -24.090 1.00 0.00 H new ATOM 0 HA VAL B 84 -4.170 4.616 -25.612 1.00 0.00 H new ATOM 0 HB VAL B 84 -4.660 1.736 -24.758 1.00 0.00 H new ATOM 0 HG11 VAL B 84 -6.210 1.580 -26.663 1.00 0.00 H new ATOM 0 HG12 VAL B 84 -6.782 2.738 -25.439 1.00 0.00 H new ATOM 0 HG13 VAL B 84 -6.037 3.329 -26.943 1.00 0.00 H new ATOM 0 HG21 VAL B 84 -3.790 1.214 -27.001 1.00 0.00 H new ATOM 0 HG22 VAL B 84 -3.516 2.948 -27.294 1.00 0.00 H new ATOM 0 HG23 VAL B 84 -2.601 2.105 -26.022 1.00 0.00 H new ATOM 999 N ILE B 85 -5.844 3.489 -22.974 1.00 0.00 N ATOM 1000 CA ILE B 85 -6.969 3.773 -22.091 1.00 0.00 C ATOM 1001 C ILE B 85 -6.872 5.182 -21.515 1.00 0.00 C ATOM 1002 O ILE B 85 -7.874 5.887 -21.401 1.00 0.00 O ATOM 1003 CB ILE B 85 -7.046 2.761 -20.933 1.00 0.00 C ATOM 1004 CG1 ILE B 85 -7.295 1.352 -21.475 1.00 0.00 C ATOM 1005 CG2 ILE B 85 -8.140 3.159 -19.953 1.00 0.00 C ATOM 1006 CD1 ILE B 85 -8.649 1.186 -22.129 1.00 0.00 C ATOM 0 H ILE B 85 -5.318 2.650 -22.730 1.00 0.00 H new ATOM 0 HA ILE B 85 -7.873 3.690 -22.694 1.00 0.00 H new ATOM 0 HB ILE B 85 -6.093 2.763 -20.403 1.00 0.00 H new ATOM 0 HG12 ILE B 85 -6.518 1.108 -22.200 1.00 0.00 H new ATOM 0 HG13 ILE B 85 -7.205 0.636 -20.658 1.00 0.00 H new ATOM 0 HG21 ILE B 85 -8.182 2.434 -19.140 1.00 0.00 H new ATOM 0 HG22 ILE B 85 -7.923 4.147 -19.547 1.00 0.00 H new ATOM 0 HG23 ILE B 85 -9.100 3.182 -20.469 1.00 0.00 H new ATOM 0 HD11 ILE B 85 -8.756 0.163 -22.490 1.00 0.00 H new ATOM 0 HD12 ILE B 85 -9.433 1.398 -21.402 1.00 0.00 H new ATOM 0 HD13 ILE B 85 -8.735 1.877 -22.967 1.00 0.00 H new ATOM 1018 N GLY B 86 -5.658 5.586 -21.153 1.00 0.00 N ATOM 1019 CA GLY B 86 -5.452 6.909 -20.594 1.00 0.00 C ATOM 1020 C GLY B 86 -5.888 8.011 -21.538 1.00 0.00 C ATOM 1021 O GLY B 86 -6.655 8.898 -21.160 1.00 0.00 O ATOM 0 H GLY B 86 -4.813 5.020 -21.237 1.00 0.00 H new ATOM 0 HA2 GLY B 86 -6.006 6.995 -19.659 1.00 0.00 H new ATOM 0 HA3 GLY B 86 -4.397 7.038 -20.353 1.00 0.00 H new ATOM 1025 N THR B 87 -5.397 7.959 -22.773 1.00 0.00 N ATOM 1026 CA THR B 87 -5.737 8.963 -23.774 1.00 0.00 C ATOM 1027 C THR B 87 -7.245 9.039 -23.985 1.00 0.00 C ATOM 1028 O THR B 87 -7.816 10.127 -24.063 1.00 0.00 O ATOM 1029 CB THR B 87 -5.055 8.664 -25.122 1.00 0.00 C ATOM 1030 OG1 THR B 87 -3.724 8.185 -24.903 1.00 0.00 O ATOM 1031 CG2 THR B 87 -5.015 9.909 -25.995 1.00 0.00 C ATOM 0 H THR B 87 -4.763 7.232 -23.104 1.00 0.00 H new ATOM 0 HA THR B 87 -5.377 9.921 -23.398 1.00 0.00 H new ATOM 0 HB THR B 87 -5.635 7.898 -25.636 1.00 0.00 H new ATOM 0 HG1 THR B 87 -3.163 8.917 -24.572 1.00 0.00 H new ATOM 0 HG21 THR B 87 -4.529 9.674 -26.942 1.00 0.00 H new ATOM 0 HG22 THR B 87 -6.032 10.253 -26.185 1.00 0.00 H new ATOM 0 HG23 THR B 87 -4.456 10.693 -25.485 1.00 0.00 H new ATOM 1039 N ILE B 88 -7.884 7.878 -24.076 1.00 0.00 N ATOM 1040 CA ILE B 88 -9.327 7.814 -24.277 1.00 0.00 C ATOM 1041 C ILE B 88 -10.066 8.605 -23.203 1.00 0.00 C ATOM 1042 O ILE B 88 -10.912 9.447 -23.508 1.00 0.00 O ATOM 1043 CB ILE B 88 -9.833 6.360 -24.268 1.00 0.00 C ATOM 1044 CG1 ILE B 88 -9.235 5.582 -25.442 1.00 0.00 C ATOM 1045 CG2 ILE B 88 -11.353 6.327 -24.322 1.00 0.00 C ATOM 1046 CD1 ILE B 88 -9.691 6.085 -26.794 1.00 0.00 C ATOM 0 H ILE B 88 -7.426 6.969 -24.014 1.00 0.00 H new ATOM 0 HA ILE B 88 -9.530 8.254 -25.254 1.00 0.00 H new ATOM 0 HB ILE B 88 -9.512 5.885 -23.341 1.00 0.00 H new ATOM 0 HG12 ILE B 88 -8.148 5.640 -25.390 1.00 0.00 H new ATOM 0 HG13 ILE B 88 -9.504 4.530 -25.345 1.00 0.00 H new ATOM 0 HG21 ILE B 88 -11.695 5.292 -24.315 1.00 0.00 H new ATOM 0 HG22 ILE B 88 -11.759 6.849 -23.456 1.00 0.00 H new ATOM 0 HG23 ILE B 88 -11.695 6.816 -25.234 1.00 0.00 H new ATOM 0 HD11 ILE B 88 -9.228 5.488 -27.580 1.00 0.00 H new ATOM 0 HD12 ILE B 88 -10.775 6.002 -26.866 1.00 0.00 H new ATOM 0 HD13 ILE B 88 -9.399 7.128 -26.912 1.00 0.00 H new ATOM 1058 N LEU B 89 -9.741 8.330 -21.944 1.00 0.00 N ATOM 1059 CA LEU B 89 -10.373 9.016 -20.823 1.00 0.00 C ATOM 1060 C LEU B 89 -10.198 10.527 -20.941 1.00 0.00 C ATOM 1061 O LEU B 89 -11.170 11.281 -20.892 1.00 0.00 O ATOM 1062 CB LEU B 89 -9.783 8.525 -19.500 1.00 0.00 C ATOM 1063 CG LEU B 89 -10.245 7.146 -19.030 1.00 0.00 C ATOM 1064 CD1 LEU B 89 -9.498 6.733 -17.771 1.00 0.00 C ATOM 1065 CD2 LEU B 89 -11.747 7.141 -18.787 1.00 0.00 C ATOM 0 H LEU B 89 -9.043 7.637 -21.674 1.00 0.00 H new ATOM 0 HA LEU B 89 -11.439 8.789 -20.845 1.00 0.00 H new ATOM 0 HB2 LEU B 89 -8.697 8.510 -19.593 1.00 0.00 H new ATOM 0 HB3 LEU B 89 -10.027 9.251 -18.725 1.00 0.00 H new ATOM 0 HG LEU B 89 -10.022 6.422 -19.814 1.00 0.00 H new ATOM 0 HD11 LEU B 89 -9.840 5.749 -17.451 1.00 0.00 H new ATOM 0 HD12 LEU B 89 -8.429 6.696 -17.978 1.00 0.00 H new ATOM 0 HD13 LEU B 89 -9.689 7.458 -16.980 1.00 0.00 H new ATOM 0 HD21 LEU B 89 -12.058 6.151 -18.453 1.00 0.00 H new ATOM 0 HD22 LEU B 89 -11.994 7.877 -18.022 1.00 0.00 H new ATOM 0 HD23 LEU B 89 -12.266 7.392 -19.712 1.00 0.00 H new ATOM 1077 N LEU B 90 -8.953 10.962 -21.100 1.00 0.00 N ATOM 1078 CA LEU B 90 -8.650 12.384 -21.228 1.00 0.00 C ATOM 1079 C LEU B 90 -9.407 12.999 -22.400 1.00 0.00 C ATOM 1080 O LEU B 90 -10.056 14.035 -22.257 1.00 0.00 O ATOM 1081 CB LEU B 90 -7.145 12.590 -21.413 1.00 0.00 C ATOM 1082 CG LEU B 90 -6.260 12.163 -20.241 1.00 0.00 C ATOM 1083 CD1 LEU B 90 -4.816 12.006 -20.692 1.00 0.00 C ATOM 1084 CD2 LEU B 90 -6.359 13.169 -19.104 1.00 0.00 C ATOM 0 H LEU B 90 -8.137 10.351 -21.143 1.00 0.00 H new ATOM 0 HA LEU B 90 -8.969 12.882 -20.312 1.00 0.00 H new ATOM 0 HB2 LEU B 90 -6.830 12.040 -22.300 1.00 0.00 H new ATOM 0 HB3 LEU B 90 -6.965 13.646 -21.612 1.00 0.00 H new ATOM 0 HG LEU B 90 -6.612 11.198 -19.877 1.00 0.00 H new ATOM 0 HD11 LEU B 90 -4.201 11.702 -19.845 1.00 0.00 H new ATOM 0 HD12 LEU B 90 -4.759 11.247 -21.473 1.00 0.00 H new ATOM 0 HD13 LEU B 90 -4.451 12.956 -21.082 1.00 0.00 H new ATOM 0 HD21 LEU B 90 -5.723 12.849 -18.279 1.00 0.00 H new ATOM 0 HD22 LEU B 90 -6.033 14.148 -19.455 1.00 0.00 H new ATOM 0 HD23 LEU B 90 -7.392 13.232 -18.762 1.00 0.00 H new ATOM 1096 N ILE B 91 -9.321 12.352 -23.558 1.00 0.00 N ATOM 1097 CA ILE B 91 -10.000 12.834 -24.754 1.00 0.00 C ATOM 1098 C ILE B 91 -11.491 13.027 -24.498 1.00 0.00 C ATOM 1099 O ILE B 91 -12.060 14.064 -24.840 1.00 0.00 O ATOM 1100 CB ILE B 91 -9.815 11.864 -25.936 1.00 0.00 C ATOM 1101 CG1 ILE B 91 -8.346 11.819 -26.362 1.00 0.00 C ATOM 1102 CG2 ILE B 91 -10.698 12.277 -27.104 1.00 0.00 C ATOM 1103 CD1 ILE B 91 -7.959 10.534 -27.060 1.00 0.00 C ATOM 0 H ILE B 91 -8.788 11.493 -23.693 1.00 0.00 H new ATOM 0 HA ILE B 91 -9.549 13.793 -25.008 1.00 0.00 H new ATOM 0 HB ILE B 91 -10.112 10.865 -25.617 1.00 0.00 H new ATOM 0 HG12 ILE B 91 -8.143 12.659 -27.026 1.00 0.00 H new ATOM 0 HG13 ILE B 91 -7.717 11.949 -25.482 1.00 0.00 H new ATOM 0 HG21 ILE B 91 -10.556 11.582 -27.931 1.00 0.00 H new ATOM 0 HG22 ILE B 91 -11.743 12.262 -26.793 1.00 0.00 H new ATOM 0 HG23 ILE B 91 -10.429 13.283 -27.425 1.00 0.00 H new ATOM 0 HD11 ILE B 91 -6.905 10.572 -27.334 1.00 0.00 H new ATOM 0 HD12 ILE B 91 -8.130 9.691 -26.391 1.00 0.00 H new ATOM 0 HD13 ILE B 91 -8.563 10.412 -27.959 1.00 0.00 H new ATOM 1115 N SER B 92 -12.118 12.023 -23.894 1.00 0.00 N ATOM 1116 CA SER B 92 -13.544 12.082 -23.594 1.00 0.00 C ATOM 1117 C SER B 92 -13.875 13.322 -22.770 1.00 0.00 C ATOM 1118 O SER B 92 -14.982 13.855 -22.847 1.00 0.00 O ATOM 1119 CB SER B 92 -13.980 10.823 -22.841 1.00 0.00 C ATOM 1120 OG SER B 92 -15.303 10.955 -22.351 1.00 0.00 O ATOM 0 H SER B 92 -11.661 11.159 -23.603 1.00 0.00 H new ATOM 0 HA SER B 92 -14.087 12.139 -24.537 1.00 0.00 H new ATOM 0 HB2 SER B 92 -13.919 9.960 -23.503 1.00 0.00 H new ATOM 0 HB3 SER B 92 -13.298 10.637 -22.011 1.00 0.00 H new ATOM 0 HG SER B 92 -15.559 10.137 -21.875 1.00 0.00 H new ATOM 1126 N TYR B 93 -12.907 13.776 -21.982 1.00 0.00 N ATOM 1127 CA TYR B 93 -13.096 14.952 -21.141 1.00 0.00 C ATOM 1128 C TYR B 93 -13.111 16.226 -21.980 1.00 0.00 C ATOM 1129 O TYR B 93 -13.865 17.157 -21.703 1.00 0.00 O ATOM 1130 CB TYR B 93 -11.989 15.035 -20.088 1.00 0.00 C ATOM 1131 CG TYR B 93 -12.350 15.890 -18.895 1.00 0.00 C ATOM 1132 CD1 TYR B 93 -13.439 15.571 -18.092 1.00 0.00 C ATOM 1133 CD2 TYR B 93 -11.605 17.017 -18.571 1.00 0.00 C ATOM 1134 CE1 TYR B 93 -13.774 16.350 -17.001 1.00 0.00 C ATOM 1135 CE2 TYR B 93 -11.931 17.800 -17.481 1.00 0.00 C ATOM 1136 CZ TYR B 93 -13.017 17.463 -16.699 1.00 0.00 C ATOM 1137 OH TYR B 93 -13.346 18.241 -15.613 1.00 0.00 O ATOM 0 H TYR B 93 -11.984 13.348 -21.908 1.00 0.00 H new ATOM 0 HA TYR B 93 -14.059 14.857 -20.640 1.00 0.00 H new ATOM 0 HB2 TYR B 93 -11.750 14.029 -19.744 1.00 0.00 H new ATOM 0 HB3 TYR B 93 -11.088 15.435 -20.552 1.00 0.00 H new ATOM 0 HD1 TYR B 93 -14.033 14.700 -18.325 1.00 0.00 H new ATOM 0 HD2 TYR B 93 -10.756 17.286 -19.182 1.00 0.00 H new ATOM 0 HE1 TYR B 93 -14.624 16.089 -16.388 1.00 0.00 H new ATOM 0 HE2 TYR B 93 -11.339 18.671 -17.242 1.00 0.00 H new ATOM 0 HH TYR B 93 -12.712 18.985 -15.539 1.00 0.00 H new ATOM 1147 N GLY B 94 -12.270 16.258 -23.010 1.00 0.00 N ATOM 1148 CA GLY B 94 -12.202 17.421 -23.876 1.00 0.00 C ATOM 1149 C GLY B 94 -13.493 17.655 -24.635 1.00 0.00 C ATOM 1150 O GLY B 94 -13.895 18.799 -24.850 1.00 0.00 O ATOM 0 H GLY B 94 -11.635 15.500 -23.260 1.00 0.00 H new ATOM 0 HA2 GLY B 94 -11.971 18.302 -23.278 1.00 0.00 H new ATOM 0 HA3 GLY B 94 -11.385 17.294 -24.586 1.00 0.00 H new ATOM 1154 N ILE B 95 -14.143 16.570 -25.043 1.00 0.00 N ATOM 1155 CA ILE B 95 -15.395 16.663 -25.782 1.00 0.00 C ATOM 1156 C ILE B 95 -16.500 17.264 -24.920 1.00 0.00 C ATOM 1157 O ILE B 95 -17.388 17.953 -25.422 1.00 0.00 O ATOM 1158 CB ILE B 95 -15.851 15.284 -26.293 1.00 0.00 C ATOM 1159 CG1 ILE B 95 -14.787 14.677 -27.209 1.00 0.00 C ATOM 1160 CG2 ILE B 95 -17.181 15.403 -27.023 1.00 0.00 C ATOM 1161 CD1 ILE B 95 -14.447 15.547 -28.400 1.00 0.00 C ATOM 0 H ILE B 95 -13.823 15.616 -24.874 1.00 0.00 H new ATOM 0 HA ILE B 95 -15.209 17.315 -26.636 1.00 0.00 H new ATOM 0 HB ILE B 95 -15.986 14.623 -25.437 1.00 0.00 H new ATOM 0 HG12 ILE B 95 -13.881 14.497 -26.630 1.00 0.00 H new ATOM 0 HG13 ILE B 95 -15.136 13.708 -27.565 1.00 0.00 H new ATOM 0 HG21 ILE B 95 -17.490 14.420 -27.378 1.00 0.00 H new ATOM 0 HG22 ILE B 95 -17.936 15.797 -26.342 1.00 0.00 H new ATOM 0 HG23 ILE B 95 -17.071 16.078 -27.872 1.00 0.00 H new ATOM 0 HD11 ILE B 95 -13.686 15.054 -29.005 1.00 0.00 H new ATOM 0 HD12 ILE B 95 -15.342 15.706 -29.001 1.00 0.00 H new ATOM 0 HD13 ILE B 95 -14.068 16.508 -28.052 1.00 0.00 H new ATOM 1173 N ARG B 96 -16.436 17.001 -23.619 1.00 0.00 N ATOM 1174 CA ARG B 96 -17.431 17.516 -22.685 1.00 0.00 C ATOM 1175 C ARG B 96 -17.212 19.004 -22.424 1.00 0.00 C ATOM 1176 O ARG B 96 -18.149 19.730 -22.091 1.00 0.00 O ATOM 1177 CB ARG B 96 -17.374 16.742 -21.367 1.00 0.00 C ATOM 1178 CG ARG B 96 -18.382 15.608 -21.283 1.00 0.00 C ATOM 1179 CD ARG B 96 -18.261 14.851 -19.969 1.00 0.00 C ATOM 1180 NE ARG B 96 -17.221 13.827 -20.021 1.00 0.00 N ATOM 1181 CZ ARG B 96 -16.705 13.248 -18.943 1.00 0.00 C ATOM 1182 NH1 ARG B 96 -17.129 13.592 -17.735 1.00 0.00 N ATOM 1183 NH2 ARG B 96 -15.762 12.324 -19.072 1.00 0.00 N ATOM 0 H ARG B 96 -15.706 16.434 -23.187 1.00 0.00 H new ATOM 0 HA ARG B 96 -18.416 17.384 -23.133 1.00 0.00 H new ATOM 0 HB2 ARG B 96 -16.371 16.336 -21.237 1.00 0.00 H new ATOM 0 HB3 ARG B 96 -17.547 17.433 -20.542 1.00 0.00 H new ATOM 0 HG2 ARG B 96 -19.391 16.009 -21.382 1.00 0.00 H new ATOM 0 HG3 ARG B 96 -18.229 14.921 -22.115 1.00 0.00 H new ATOM 0 HD2 ARG B 96 -18.039 15.553 -19.165 1.00 0.00 H new ATOM 0 HD3 ARG B 96 -19.217 14.385 -19.730 1.00 0.00 H new ATOM 0 HE ARG B 96 -16.872 13.541 -20.936 1.00 0.00 H new ATOM 0 HH11 ARG B 96 -17.853 14.303 -17.632 1.00 0.00 H new ATOM 0 HH12 ARG B 96 -16.731 13.146 -16.909 1.00 0.00 H new ATOM 0 HH21 ARG B 96 -15.433 12.058 -20.000 1.00 0.00 H new ATOM 0 HH22 ARG B 96 -15.366 11.880 -18.243 1.00 0.00 H new ATOM 1197 N ARG B 97 -15.969 19.449 -22.577 1.00 0.00 N ATOM 1198 CA ARG B 97 -15.627 20.849 -22.357 1.00 0.00 C ATOM 1199 C ARG B 97 -15.901 21.254 -20.911 1.00 0.00 C ATOM 1200 O ARG B 97 -16.135 22.427 -20.617 1.00 0.00 O ATOM 1201 CB ARG B 97 -16.421 21.747 -23.308 1.00 0.00 C ATOM 1202 CG ARG B 97 -15.572 22.797 -24.005 1.00 0.00 C ATOM 1203 CD ARG B 97 -15.809 24.181 -23.423 1.00 0.00 C ATOM 1204 NE ARG B 97 -15.502 25.239 -24.382 1.00 0.00 N ATOM 1205 CZ ARG B 97 -14.266 25.591 -24.718 1.00 0.00 C ATOM 1206 NH1 ARG B 97 -13.226 24.972 -24.174 1.00 0.00 N ATOM 1207 NH2 ARG B 97 -14.067 26.563 -25.599 1.00 0.00 N ATOM 0 H ARG B 97 -15.183 18.861 -22.852 1.00 0.00 H new ATOM 0 HA ARG B 97 -14.563 20.972 -22.557 1.00 0.00 H new ATOM 0 HB2 ARG B 97 -16.906 21.126 -24.061 1.00 0.00 H new ATOM 0 HB3 ARG B 97 -17.212 22.245 -22.748 1.00 0.00 H new ATOM 0 HG2 ARG B 97 -14.518 22.536 -23.909 1.00 0.00 H new ATOM 0 HG3 ARG B 97 -15.803 22.805 -25.070 1.00 0.00 H new ATOM 0 HD2 ARG B 97 -16.849 24.268 -23.108 1.00 0.00 H new ATOM 0 HD3 ARG B 97 -15.194 24.310 -22.532 1.00 0.00 H new ATOM 0 HE ARG B 97 -16.280 25.735 -24.818 1.00 0.00 H new ATOM 0 HH11 ARG B 97 -13.375 24.224 -23.496 1.00 0.00 H new ATOM 0 HH12 ARG B 97 -12.278 25.244 -24.433 1.00 0.00 H new ATOM 0 HH21 ARG B 97 -14.864 27.041 -26.019 1.00 0.00 H new ATOM 0 HH22 ARG B 97 -13.117 26.832 -25.856 1.00 0.00 H new ATOM 1221 N LEU B 98 -15.871 20.276 -20.012 1.00 0.00 N ATOM 1222 CA LEU B 98 -16.116 20.530 -18.597 1.00 0.00 C ATOM 1223 C LEU B 98 -14.895 21.165 -17.938 1.00 0.00 C ATOM 1224 O LEU B 98 -13.789 21.111 -18.475 1.00 0.00 O ATOM 1225 CB LEU B 98 -16.478 19.228 -17.880 1.00 0.00 C ATOM 1226 CG LEU B 98 -17.319 19.371 -16.612 1.00 0.00 C ATOM 1227 CD1 LEU B 98 -17.859 18.019 -16.174 1.00 0.00 C ATOM 1228 CD2 LEU B 98 -16.500 20.007 -15.498 1.00 0.00 C ATOM 0 H LEU B 98 -15.679 19.300 -20.238 1.00 0.00 H new ATOM 0 HA LEU B 98 -16.951 21.226 -18.517 1.00 0.00 H new ATOM 0 HB2 LEU B 98 -17.018 18.590 -18.580 1.00 0.00 H new ATOM 0 HB3 LEU B 98 -15.554 18.710 -17.623 1.00 0.00 H new ATOM 0 HG LEU B 98 -18.165 20.023 -16.832 1.00 0.00 H new ATOM 0 HD11 LEU B 98 -18.455 18.141 -15.270 1.00 0.00 H new ATOM 0 HD12 LEU B 98 -18.482 17.602 -16.966 1.00 0.00 H new ATOM 0 HD13 LEU B 98 -17.028 17.343 -15.972 1.00 0.00 H new ATOM 0 HD21 LEU B 98 -17.115 20.101 -14.603 1.00 0.00 H new ATOM 0 HD22 LEU B 98 -15.635 19.381 -15.280 1.00 0.00 H new ATOM 0 HD23 LEU B 98 -16.163 20.995 -15.812 1.00 0.00 H new TER 1240 LEU B 98