USER MOD reduce.3.24.130724 H: found=0, std=0, add=644, rem=0, adj=11 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 X(o=0,f=0) USER MOD Single : A 66 HIS : no HD1:sc= 0 X(o=0,f=-0.0011) USER MOD Single : A 67 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 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 -60:sc= 0.0128 USER MOD Single : A 92 SER OG : rot -66:sc= 1.19 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : B 63 GLN : amide:sc= -1.62 K(o=-1.6,f=-2.2) USER MOD Single : B 66 HIS : no HD1:sc= 0 X(o=0,f=-0.022) USER MOD Single : B 67 HIS : no HD1:sc= 0 X(o=0,f=-0.32) USER MOD Single : B 69 SER OG : rot 180:sc= 0.192 USER MOD Single : B 74 THR OG1 : rot 180:sc= 0 USER MOD Single : B 81 MET CE :methyl -154:sc= -0.0164 (180deg=-0.0512) USER MOD Single : B 87 THR OG1 : rot -50:sc= -0.197 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 -3.669 6.457 -0.024 1.00 0.00 N ATOM 2 CA ARG A 61 -3.154 7.574 -0.806 1.00 0.00 C ATOM 3 C ARG A 61 -1.628 7.589 -0.793 1.00 0.00 C ATOM 4 O ARG A 61 -0.991 7.844 -1.815 1.00 0.00 O ATOM 5 CB ARG A 61 -3.693 8.898 -0.261 1.00 0.00 C ATOM 6 CG ARG A 61 -3.386 9.120 1.211 1.00 0.00 C ATOM 7 CD ARG A 61 -4.494 9.902 1.899 1.00 0.00 C ATOM 8 NE ARG A 61 -4.104 10.344 3.235 1.00 0.00 N ATOM 9 CZ ARG A 61 -4.924 10.972 4.070 1.00 0.00 C ATOM 10 NH1 ARG A 61 -6.174 11.230 3.709 1.00 0.00 N ATOM 11 NH2 ARG A 61 -4.495 11.343 5.270 1.00 0.00 N ATOM 0 HA ARG A 61 -3.490 7.450 -1.835 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.269 9.719 -0.840 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -4.773 8.929 -0.407 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -3.257 8.158 1.706 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -2.443 9.658 1.310 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -4.756 10.769 1.293 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -5.387 9.280 1.969 1.00 0.00 H new ATOM 0 HE ARG A 61 -3.149 10.160 3.544 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -6.508 10.946 2.788 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -6.801 11.712 4.352 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -3.535 11.146 5.552 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -5.126 11.825 5.910 1.00 0.00 H new ATOM 25 N VAL A 62 -1.049 7.315 0.372 1.00 0.00 N ATOM 26 CA VAL A 62 0.401 7.297 0.519 1.00 0.00 C ATOM 27 C VAL A 62 0.977 5.944 0.117 1.00 0.00 C ATOM 28 O VAL A 62 1.522 5.219 0.949 1.00 0.00 O ATOM 29 CB VAL A 62 0.823 7.612 1.966 1.00 0.00 C ATOM 30 CG1 VAL A 62 2.333 7.772 2.060 1.00 0.00 C ATOM 31 CG2 VAL A 62 0.114 8.862 2.467 1.00 0.00 C ATOM 0 H VAL A 62 -1.562 7.103 1.227 1.00 0.00 H new ATOM 0 HA VAL A 62 0.795 8.068 -0.143 1.00 0.00 H new ATOM 0 HB VAL A 62 0.530 6.776 2.601 1.00 0.00 H new ATOM 0 HG11 VAL A 62 2.612 7.994 3.090 1.00 0.00 H new ATOM 0 HG12 VAL A 62 2.817 6.848 1.744 1.00 0.00 H new ATOM 0 HG13 VAL A 62 2.653 8.589 1.413 1.00 0.00 H new ATOM 0 HG21 VAL A 62 0.424 9.070 3.491 1.00 0.00 H new ATOM 0 HG22 VAL A 62 0.374 9.708 1.830 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -0.964 8.705 2.439 1.00 0.00 H new ATOM 41 N GLN A 63 0.853 5.611 -1.164 1.00 0.00 N ATOM 42 CA GLN A 63 1.361 4.344 -1.676 1.00 0.00 C ATOM 43 C GLN A 63 2.881 4.377 -1.800 1.00 0.00 C ATOM 44 O GLN A 63 3.480 5.445 -1.933 1.00 0.00 O ATOM 45 CB GLN A 63 0.734 4.031 -3.036 1.00 0.00 C ATOM 46 CG GLN A 63 0.850 5.169 -4.036 1.00 0.00 C ATOM 47 CD GLN A 63 1.123 4.682 -5.446 1.00 0.00 C ATOM 48 OE1 GLN A 63 2.169 4.977 -6.025 1.00 0.00 O ATOM 49 NE2 GLN A 63 0.182 3.930 -6.005 1.00 0.00 N ATOM 0 H GLN A 63 0.405 6.201 -1.866 1.00 0.00 H new ATOM 0 HA GLN A 63 1.089 3.560 -0.969 1.00 0.00 H new ATOM 0 HB2 GLN A 63 1.212 3.144 -3.451 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -0.319 3.789 -2.894 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -0.073 5.750 -4.029 1.00 0.00 H new ATOM 0 HG3 GLN A 63 1.651 5.840 -3.726 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -0.669 3.710 -5.488 1.00 0.00 H new ATOM 0 HE22 GLN A 63 0.311 3.572 -6.951 1.00 0.00 H new ATOM 58 N LEU A 64 3.499 3.202 -1.754 1.00 0.00 N ATOM 59 CA LEU A 64 4.950 3.096 -1.860 1.00 0.00 C ATOM 60 C LEU A 64 5.359 1.722 -2.381 1.00 0.00 C ATOM 61 O LEU A 64 6.355 1.151 -1.938 1.00 0.00 O ATOM 62 CB LEU A 64 5.601 3.353 -0.500 1.00 0.00 C ATOM 63 CG LEU A 64 4.892 2.743 0.710 1.00 0.00 C ATOM 64 CD1 LEU A 64 4.983 1.226 0.673 1.00 0.00 C ATOM 65 CD2 LEU A 64 5.483 3.285 2.003 1.00 0.00 C ATOM 0 H LEU A 64 3.018 2.309 -1.644 1.00 0.00 H new ATOM 0 HA LEU A 64 5.294 3.850 -2.568 1.00 0.00 H new ATOM 0 HB2 LEU A 64 6.621 2.970 -0.530 1.00 0.00 H new ATOM 0 HB3 LEU A 64 5.670 4.430 -0.350 1.00 0.00 H new ATOM 0 HG LEU A 64 3.839 3.023 0.670 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.473 0.810 1.542 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.511 0.855 -0.237 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.030 0.924 0.688 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.967 2.840 2.854 1.00 0.00 H new ATOM 0 HD22 LEU A 64 6.543 3.036 2.051 1.00 0.00 H new ATOM 0 HD23 LEU A 64 5.363 4.368 2.032 1.00 0.00 H new ATOM 77 N ALA A 65 4.584 1.199 -3.326 1.00 0.00 N ATOM 78 CA ALA A 65 4.868 -0.106 -3.910 1.00 0.00 C ATOM 79 C ALA A 65 6.013 -0.021 -4.913 1.00 0.00 C ATOM 80 O ALA A 65 5.856 -0.376 -6.082 1.00 0.00 O ATOM 81 CB ALA A 65 3.621 -0.669 -4.576 1.00 0.00 C ATOM 0 H ALA A 65 3.755 1.659 -3.703 1.00 0.00 H new ATOM 0 HA ALA A 65 5.172 -0.777 -3.107 1.00 0.00 H new ATOM 0 HB1 ALA A 65 3.848 -1.644 -5.008 1.00 0.00 H new ATOM 0 HB2 ALA A 65 2.829 -0.776 -3.835 1.00 0.00 H new ATOM 0 HB3 ALA A 65 3.292 0.009 -5.363 1.00 0.00 H new ATOM 87 N HIS A 66 7.166 0.453 -4.450 1.00 0.00 N ATOM 88 CA HIS A 66 8.338 0.584 -5.308 1.00 0.00 C ATOM 89 C HIS A 66 8.823 -0.783 -5.780 1.00 0.00 C ATOM 90 O HIS A 66 9.593 -1.452 -5.090 1.00 0.00 O ATOM 91 CB HIS A 66 9.461 1.308 -4.565 1.00 0.00 C ATOM 92 CG HIS A 66 10.052 2.448 -5.336 1.00 0.00 C ATOM 93 ND1 HIS A 66 11.318 2.412 -5.881 1.00 0.00 N ATOM 94 CD2 HIS A 66 9.542 3.661 -5.653 1.00 0.00 C ATOM 95 CE1 HIS A 66 11.562 3.554 -6.499 1.00 0.00 C ATOM 96 NE2 HIS A 66 10.500 4.329 -6.375 1.00 0.00 N ATOM 0 H HIS A 66 7.313 0.752 -3.486 1.00 0.00 H new ATOM 0 HA HIS A 66 8.054 1.170 -6.182 1.00 0.00 H new ATOM 0 HB2 HIS A 66 9.075 1.683 -3.617 1.00 0.00 H new ATOM 0 HB3 HIS A 66 10.249 0.593 -4.329 1.00 0.00 H new ATOM 0 HD2 HIS A 66 8.564 4.034 -5.388 1.00 0.00 H new ATOM 0 HE1 HIS A 66 12.474 3.810 -7.017 1.00 0.00 H new ATOM 0 HE2 HIS A 66 10.407 5.271 -6.754 1.00 0.00 H new ATOM 104 N HIS A 67 8.366 -1.193 -6.959 1.00 0.00 N ATOM 105 CA HIS A 67 8.753 -2.482 -7.523 1.00 0.00 C ATOM 106 C HIS A 67 10.272 -2.611 -7.591 1.00 0.00 C ATOM 107 O HIS A 67 11.000 -1.668 -7.279 1.00 0.00 O ATOM 108 CB HIS A 67 8.152 -2.653 -8.918 1.00 0.00 C ATOM 109 CG HIS A 67 6.902 -3.478 -8.934 1.00 0.00 C ATOM 110 ND1 HIS A 67 5.668 -2.983 -8.568 1.00 0.00 N ATOM 111 CD2 HIS A 67 6.700 -4.772 -9.278 1.00 0.00 C ATOM 112 CE1 HIS A 67 4.761 -3.937 -8.684 1.00 0.00 C ATOM 113 NE2 HIS A 67 5.361 -5.032 -9.114 1.00 0.00 N ATOM 0 H HIS A 67 7.728 -0.652 -7.542 1.00 0.00 H new ATOM 0 HA HIS A 67 8.368 -3.266 -6.871 1.00 0.00 H new ATOM 0 HB2 HIS A 67 7.934 -1.669 -9.334 1.00 0.00 H new ATOM 0 HB3 HIS A 67 8.892 -3.117 -9.569 1.00 0.00 H new ATOM 0 HD2 HIS A 67 7.451 -5.469 -9.618 1.00 0.00 H new ATOM 0 HE1 HIS A 67 3.708 -3.838 -8.464 1.00 0.00 H new ATOM 0 HE2 HIS A 67 4.904 -5.926 -9.295 1.00 0.00 H new ATOM 121 N PHE A 68 10.743 -3.784 -7.999 1.00 0.00 N ATOM 122 CA PHE A 68 12.175 -4.037 -8.106 1.00 0.00 C ATOM 123 C PHE A 68 12.819 -3.100 -9.124 1.00 0.00 C ATOM 124 O PHE A 68 12.195 -2.143 -9.584 1.00 0.00 O ATOM 125 CB PHE A 68 12.429 -5.492 -8.504 1.00 0.00 C ATOM 126 CG PHE A 68 13.482 -6.167 -7.671 1.00 0.00 C ATOM 127 CD1 PHE A 68 13.284 -6.371 -6.315 1.00 0.00 C ATOM 128 CD2 PHE A 68 14.668 -6.595 -8.244 1.00 0.00 C ATOM 129 CE1 PHE A 68 14.250 -6.992 -5.545 1.00 0.00 C ATOM 130 CE2 PHE A 68 15.638 -7.217 -7.479 1.00 0.00 C ATOM 131 CZ PHE A 68 15.429 -7.414 -6.128 1.00 0.00 C ATOM 0 H PHE A 68 10.154 -4.575 -8.261 1.00 0.00 H new ATOM 0 HA PHE A 68 12.625 -3.850 -7.131 1.00 0.00 H new ATOM 0 HB2 PHE A 68 11.497 -6.051 -8.420 1.00 0.00 H new ATOM 0 HB3 PHE A 68 12.728 -5.527 -9.552 1.00 0.00 H new ATOM 0 HD1 PHE A 68 12.365 -6.041 -5.854 1.00 0.00 H new ATOM 0 HD2 PHE A 68 14.837 -6.441 -9.300 1.00 0.00 H new ATOM 0 HE1 PHE A 68 14.083 -7.147 -4.489 1.00 0.00 H new ATOM 0 HE2 PHE A 68 16.558 -7.548 -7.938 1.00 0.00 H new ATOM 0 HZ PHE A 68 16.186 -7.897 -5.528 1.00 0.00 H new ATOM 141 N SER A 69 14.070 -3.382 -9.472 1.00 0.00 N ATOM 142 CA SER A 69 14.800 -2.563 -10.432 1.00 0.00 C ATOM 143 C SER A 69 13.992 -2.375 -11.712 1.00 0.00 C ATOM 144 O SER A 69 13.928 -1.276 -12.262 1.00 0.00 O ATOM 145 CB SER A 69 16.151 -3.204 -10.758 1.00 0.00 C ATOM 146 OG SER A 69 17.208 -2.531 -10.095 1.00 0.00 O ATOM 0 H SER A 69 14.600 -4.172 -9.103 1.00 0.00 H new ATOM 0 HA SER A 69 14.969 -1.584 -9.983 1.00 0.00 H new ATOM 0 HB2 SER A 69 16.141 -4.253 -10.461 1.00 0.00 H new ATOM 0 HB3 SER A 69 16.319 -3.179 -11.835 1.00 0.00 H new ATOM 0 HG SER A 69 18.060 -2.961 -10.318 1.00 0.00 H new ATOM 152 N GLU A 70 13.376 -3.457 -12.179 1.00 0.00 N ATOM 153 CA GLU A 70 12.572 -3.411 -13.395 1.00 0.00 C ATOM 154 C GLU A 70 13.350 -2.767 -14.538 1.00 0.00 C ATOM 155 O GLU A 70 13.111 -1.620 -14.917 1.00 0.00 O ATOM 156 CB GLU A 70 11.275 -2.638 -13.147 1.00 0.00 C ATOM 157 CG GLU A 70 10.557 -3.047 -11.871 1.00 0.00 C ATOM 158 CD GLU A 70 9.123 -3.473 -12.119 1.00 0.00 C ATOM 159 OE1 GLU A 70 8.359 -2.674 -12.700 1.00 0.00 O ATOM 160 OE2 GLU A 70 8.767 -4.605 -11.733 1.00 0.00 O ATOM 0 H GLU A 70 13.418 -4.374 -11.735 1.00 0.00 H new ATOM 0 HA GLU A 70 12.328 -4.435 -13.677 1.00 0.00 H new ATOM 0 HB2 GLU A 70 11.500 -1.572 -13.102 1.00 0.00 H new ATOM 0 HB3 GLU A 70 10.606 -2.787 -13.994 1.00 0.00 H new ATOM 0 HG2 GLU A 70 11.099 -3.867 -11.400 1.00 0.00 H new ATOM 0 HG3 GLU A 70 10.568 -2.213 -11.169 1.00 0.00 H new ATOM 167 N PRO A 71 14.305 -3.521 -15.103 1.00 0.00 N ATOM 168 CA PRO A 71 15.138 -3.045 -16.211 1.00 0.00 C ATOM 169 C PRO A 71 14.350 -2.900 -17.508 1.00 0.00 C ATOM 170 O PRO A 71 14.863 -2.388 -18.502 1.00 0.00 O ATOM 171 CB PRO A 71 16.201 -4.138 -16.351 1.00 0.00 C ATOM 172 CG PRO A 71 15.557 -5.365 -15.802 1.00 0.00 C ATOM 173 CD PRO A 71 14.644 -4.897 -14.702 1.00 0.00 C ATOM 0 HA PRO A 71 15.548 -2.054 -16.015 1.00 0.00 H new ATOM 0 HB2 PRO A 71 16.492 -4.276 -17.392 1.00 0.00 H new ATOM 0 HB3 PRO A 71 17.105 -3.884 -15.798 1.00 0.00 H new ATOM 0 HG2 PRO A 71 14.998 -5.892 -16.575 1.00 0.00 H new ATOM 0 HG3 PRO A 71 16.304 -6.060 -15.420 1.00 0.00 H new ATOM 0 HD2 PRO A 71 13.755 -5.523 -14.624 1.00 0.00 H new ATOM 0 HD3 PRO A 71 15.139 -4.922 -13.731 1.00 0.00 H new ATOM 181 N GLU A 72 13.100 -3.352 -17.489 1.00 0.00 N ATOM 182 CA GLU A 72 12.242 -3.271 -18.665 1.00 0.00 C ATOM 183 C GLU A 72 11.643 -1.875 -18.807 1.00 0.00 C ATOM 184 O GLU A 72 10.592 -1.699 -19.424 1.00 0.00 O ATOM 185 CB GLU A 72 11.123 -4.312 -18.580 1.00 0.00 C ATOM 186 CG GLU A 72 11.562 -5.712 -18.975 1.00 0.00 C ATOM 187 CD GLU A 72 11.858 -6.591 -17.776 1.00 0.00 C ATOM 188 OE1 GLU A 72 12.744 -6.225 -16.976 1.00 0.00 O ATOM 189 OE2 GLU A 72 11.202 -7.645 -17.637 1.00 0.00 O ATOM 0 H GLU A 72 12.660 -3.777 -16.673 1.00 0.00 H new ATOM 0 HA GLU A 72 12.853 -3.476 -19.544 1.00 0.00 H new ATOM 0 HB2 GLU A 72 10.737 -4.336 -17.561 1.00 0.00 H new ATOM 0 HB3 GLU A 72 10.301 -4.003 -19.225 1.00 0.00 H new ATOM 0 HG2 GLU A 72 10.782 -6.177 -19.578 1.00 0.00 H new ATOM 0 HG3 GLU A 72 12.452 -5.646 -19.601 1.00 0.00 H new ATOM 196 N ILE A 73 12.319 -0.887 -18.231 1.00 0.00 N ATOM 197 CA ILE A 73 11.854 0.494 -18.294 1.00 0.00 C ATOM 198 C ILE A 73 11.525 0.899 -19.727 1.00 0.00 C ATOM 199 O ILE A 73 10.406 1.320 -20.024 1.00 0.00 O ATOM 200 CB ILE A 73 12.904 1.467 -17.726 1.00 0.00 C ATOM 201 CG1 ILE A 73 13.269 1.077 -16.292 1.00 0.00 C ATOM 202 CG2 ILE A 73 12.383 2.896 -17.776 1.00 0.00 C ATOM 203 CD1 ILE A 73 12.085 1.052 -15.352 1.00 0.00 C ATOM 0 H ILE A 73 13.190 -1.016 -17.716 1.00 0.00 H new ATOM 0 HA ILE A 73 10.951 0.551 -17.687 1.00 0.00 H new ATOM 0 HB ILE A 73 13.803 1.407 -18.339 1.00 0.00 H new ATOM 0 HG12 ILE A 73 13.737 0.093 -16.300 1.00 0.00 H new ATOM 0 HG13 ILE A 73 14.010 1.779 -15.911 1.00 0.00 H new ATOM 0 HG21 ILE A 73 13.136 3.572 -17.371 1.00 0.00 H new ATOM 0 HG22 ILE A 73 12.168 3.169 -18.809 1.00 0.00 H new ATOM 0 HG23 ILE A 73 11.471 2.972 -17.183 1.00 0.00 H new ATOM 0 HD11 ILE A 73 12.419 0.768 -14.354 1.00 0.00 H new ATOM 0 HD12 ILE A 73 11.630 2.042 -15.314 1.00 0.00 H new ATOM 0 HD13 ILE A 73 11.352 0.329 -15.709 1.00 0.00 H new ATOM 215 N THR A 74 12.506 0.767 -20.614 1.00 0.00 N ATOM 216 CA THR A 74 12.321 1.118 -22.016 1.00 0.00 C ATOM 217 C THR A 74 11.075 0.454 -22.590 1.00 0.00 C ATOM 218 O THR A 74 10.284 1.091 -23.286 1.00 0.00 O ATOM 219 CB THR A 74 13.542 0.711 -22.863 1.00 0.00 C ATOM 220 OG1 THR A 74 14.728 1.316 -22.335 1.00 0.00 O ATOM 221 CG2 THR A 74 13.357 1.128 -24.314 1.00 0.00 C ATOM 0 H THR A 74 13.437 0.419 -20.386 1.00 0.00 H new ATOM 0 HA THR A 74 12.204 2.201 -22.057 1.00 0.00 H new ATOM 0 HB THR A 74 13.639 -0.374 -22.823 1.00 0.00 H new ATOM 0 HG1 THR A 74 15.500 1.051 -22.878 1.00 0.00 H new ATOM 0 HG21 THR A 74 14.232 0.830 -24.892 1.00 0.00 H new ATOM 0 HG22 THR A 74 12.470 0.643 -24.722 1.00 0.00 H new ATOM 0 HG23 THR A 74 13.237 2.210 -24.369 1.00 0.00 H new ATOM 229 N LEU A 75 10.905 -0.830 -22.293 1.00 0.00 N ATOM 230 CA LEU A 75 9.753 -1.581 -22.778 1.00 0.00 C ATOM 231 C LEU A 75 8.449 -0.909 -22.362 1.00 0.00 C ATOM 232 O LEU A 75 7.558 -0.695 -23.185 1.00 0.00 O ATOM 233 CB LEU A 75 9.793 -3.015 -22.247 1.00 0.00 C ATOM 234 CG LEU A 75 10.777 -3.960 -22.938 1.00 0.00 C ATOM 235 CD1 LEU A 75 10.723 -5.342 -22.306 1.00 0.00 C ATOM 236 CD2 LEU A 75 10.481 -4.041 -24.428 1.00 0.00 C ATOM 0 H LEU A 75 11.550 -1.372 -21.719 1.00 0.00 H new ATOM 0 HA LEU A 75 9.798 -1.602 -23.867 1.00 0.00 H new ATOM 0 HB2 LEU A 75 10.037 -2.981 -21.185 1.00 0.00 H new ATOM 0 HB3 LEU A 75 8.793 -3.440 -22.330 1.00 0.00 H new ATOM 0 HG LEU A 75 11.784 -3.563 -22.809 1.00 0.00 H new ATOM 0 HD11 LEU A 75 11.430 -6.001 -22.811 1.00 0.00 H new ATOM 0 HD12 LEU A 75 10.984 -5.270 -21.250 1.00 0.00 H new ATOM 0 HD13 LEU A 75 9.716 -5.748 -22.403 1.00 0.00 H new ATOM 0 HD21 LEU A 75 11.191 -4.718 -24.904 1.00 0.00 H new ATOM 0 HD22 LEU A 75 9.468 -4.414 -24.578 1.00 0.00 H new ATOM 0 HD23 LEU A 75 10.572 -3.049 -24.871 1.00 0.00 H new ATOM 248 N ILE A 76 8.344 -0.576 -21.079 1.00 0.00 N ATOM 249 CA ILE A 76 7.150 0.076 -20.555 1.00 0.00 C ATOM 250 C ILE A 76 6.847 1.362 -21.315 1.00 0.00 C ATOM 251 O ILE A 76 5.705 1.609 -21.706 1.00 0.00 O ATOM 252 CB ILE A 76 7.299 0.401 -19.057 1.00 0.00 C ATOM 253 CG1 ILE A 76 7.593 -0.873 -18.262 1.00 0.00 C ATOM 254 CG2 ILE A 76 6.041 1.080 -18.535 1.00 0.00 C ATOM 255 CD1 ILE A 76 6.540 -1.946 -18.430 1.00 0.00 C ATOM 0 H ILE A 76 9.071 -0.747 -20.384 1.00 0.00 H new ATOM 0 HA ILE A 76 6.325 -0.623 -20.687 1.00 0.00 H new ATOM 0 HB ILE A 76 8.137 1.086 -18.931 1.00 0.00 H new ATOM 0 HG12 ILE A 76 8.559 -1.271 -18.573 1.00 0.00 H new ATOM 0 HG13 ILE A 76 7.678 -0.621 -17.205 1.00 0.00 H new ATOM 0 HG21 ILE A 76 6.161 1.304 -17.475 1.00 0.00 H new ATOM 0 HG22 ILE A 76 5.873 2.006 -19.084 1.00 0.00 H new ATOM 0 HG23 ILE A 76 5.187 0.417 -18.671 1.00 0.00 H new ATOM 0 HD11 ILE A 76 6.813 -2.820 -17.839 1.00 0.00 H new ATOM 0 HD12 ILE A 76 5.576 -1.566 -18.092 1.00 0.00 H new ATOM 0 HD13 ILE A 76 6.471 -2.226 -19.481 1.00 0.00 H new ATOM 267 N ILE A 77 7.876 2.176 -21.524 1.00 0.00 N ATOM 268 CA ILE A 77 7.719 3.436 -22.241 1.00 0.00 C ATOM 269 C ILE A 77 7.293 3.197 -23.685 1.00 0.00 C ATOM 270 O ILE A 77 6.333 3.798 -24.168 1.00 0.00 O ATOM 271 CB ILE A 77 9.024 4.255 -22.231 1.00 0.00 C ATOM 272 CG1 ILE A 77 9.472 4.524 -20.793 1.00 0.00 C ATOM 273 CG2 ILE A 77 8.834 5.562 -22.986 1.00 0.00 C ATOM 274 CD1 ILE A 77 10.645 5.473 -20.694 1.00 0.00 C ATOM 0 H ILE A 77 8.827 1.986 -21.207 1.00 0.00 H new ATOM 0 HA ILE A 77 6.942 3.999 -21.724 1.00 0.00 H new ATOM 0 HB ILE A 77 9.802 3.678 -22.732 1.00 0.00 H new ATOM 0 HG12 ILE A 77 8.634 4.935 -20.231 1.00 0.00 H new ATOM 0 HG13 ILE A 77 9.739 3.578 -20.321 1.00 0.00 H new ATOM 0 HG21 ILE A 77 9.764 6.130 -22.970 1.00 0.00 H new ATOM 0 HG22 ILE A 77 8.556 5.349 -24.018 1.00 0.00 H new ATOM 0 HG23 ILE A 77 8.045 6.145 -22.511 1.00 0.00 H new ATOM 0 HD11 ILE A 77 10.908 5.618 -19.646 1.00 0.00 H new ATOM 0 HD12 ILE A 77 11.498 5.054 -21.228 1.00 0.00 H new ATOM 0 HD13 ILE A 77 10.375 6.432 -21.136 1.00 0.00 H new ATOM 286 N PHE A 78 8.012 2.314 -24.371 1.00 0.00 N ATOM 287 CA PHE A 78 7.708 1.995 -25.760 1.00 0.00 C ATOM 288 C PHE A 78 6.253 1.562 -25.913 1.00 0.00 C ATOM 289 O PHE A 78 5.542 2.039 -26.797 1.00 0.00 O ATOM 290 CB PHE A 78 8.637 0.888 -26.266 1.00 0.00 C ATOM 291 CG PHE A 78 8.235 0.333 -27.603 1.00 0.00 C ATOM 292 CD1 PHE A 78 8.700 0.907 -28.775 1.00 0.00 C ATOM 293 CD2 PHE A 78 7.391 -0.763 -27.686 1.00 0.00 C ATOM 294 CE1 PHE A 78 8.332 0.398 -30.006 1.00 0.00 C ATOM 295 CE2 PHE A 78 7.021 -1.277 -28.915 1.00 0.00 C ATOM 296 CZ PHE A 78 7.490 -0.695 -30.076 1.00 0.00 C ATOM 0 H PHE A 78 8.809 1.807 -23.987 1.00 0.00 H new ATOM 0 HA PHE A 78 7.866 2.894 -26.356 1.00 0.00 H new ATOM 0 HB2 PHE A 78 9.652 1.279 -26.334 1.00 0.00 H new ATOM 0 HB3 PHE A 78 8.656 0.079 -25.536 1.00 0.00 H new ATOM 0 HD1 PHE A 78 9.358 1.762 -28.726 1.00 0.00 H new ATOM 0 HD2 PHE A 78 7.018 -1.220 -26.781 1.00 0.00 H new ATOM 0 HE1 PHE A 78 8.702 0.854 -30.912 1.00 0.00 H new ATOM 0 HE2 PHE A 78 6.365 -2.134 -28.967 1.00 0.00 H new ATOM 0 HZ PHE A 78 7.199 -1.093 -31.037 1.00 0.00 H new ATOM 306 N GLY A 79 5.817 0.654 -25.045 1.00 0.00 N ATOM 307 CA GLY A 79 4.450 0.171 -25.100 1.00 0.00 C ATOM 308 C GLY A 79 3.435 1.292 -25.004 1.00 0.00 C ATOM 309 O GLY A 79 2.583 1.445 -25.879 1.00 0.00 O ATOM 0 H GLY A 79 6.387 0.244 -24.305 1.00 0.00 H new ATOM 0 HA2 GLY A 79 4.298 -0.374 -26.032 1.00 0.00 H new ATOM 0 HA3 GLY A 79 4.285 -0.535 -24.287 1.00 0.00 H new ATOM 313 N VAL A 80 3.524 2.079 -23.936 1.00 0.00 N ATOM 314 CA VAL A 80 2.605 3.192 -23.728 1.00 0.00 C ATOM 315 C VAL A 80 2.702 4.204 -24.865 1.00 0.00 C ATOM 316 O VAL A 80 1.710 4.829 -25.238 1.00 0.00 O ATOM 317 CB VAL A 80 2.884 3.908 -22.393 1.00 0.00 C ATOM 318 CG1 VAL A 80 1.871 5.019 -22.161 1.00 0.00 C ATOM 319 CG2 VAL A 80 2.870 2.913 -21.243 1.00 0.00 C ATOM 0 H VAL A 80 4.223 1.966 -23.202 1.00 0.00 H new ATOM 0 HA VAL A 80 1.599 2.772 -23.703 1.00 0.00 H new ATOM 0 HB VAL A 80 3.875 4.358 -22.442 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.084 5.513 -21.213 1.00 0.00 H new ATOM 0 HG12 VAL A 80 1.935 5.745 -22.972 1.00 0.00 H new ATOM 0 HG13 VAL A 80 0.867 4.596 -22.132 1.00 0.00 H new ATOM 0 HG21 VAL A 80 3.069 3.436 -20.307 1.00 0.00 H new ATOM 0 HG22 VAL A 80 1.893 2.432 -21.190 1.00 0.00 H new ATOM 0 HG23 VAL A 80 3.638 2.157 -21.407 1.00 0.00 H new ATOM 329 N MET A 81 3.904 4.360 -25.410 1.00 0.00 N ATOM 330 CA MET A 81 4.129 5.295 -26.506 1.00 0.00 C ATOM 331 C MET A 81 3.380 4.855 -27.760 1.00 0.00 C ATOM 332 O MET A 81 2.754 5.669 -28.438 1.00 0.00 O ATOM 333 CB MET A 81 5.625 5.412 -26.806 1.00 0.00 C ATOM 334 CG MET A 81 6.380 6.273 -25.806 1.00 0.00 C ATOM 335 SD MET A 81 6.248 8.035 -26.169 1.00 0.00 S ATOM 336 CE MET A 81 7.730 8.655 -25.378 1.00 0.00 C ATOM 0 H MET A 81 4.736 3.852 -25.111 1.00 0.00 H new ATOM 0 HA MET A 81 3.749 6.270 -26.201 1.00 0.00 H new ATOM 0 HB2 MET A 81 6.064 4.414 -26.818 1.00 0.00 H new ATOM 0 HB3 MET A 81 5.755 5.830 -27.804 1.00 0.00 H new ATOM 0 HG2 MET A 81 5.995 6.082 -24.804 1.00 0.00 H new ATOM 0 HG3 MET A 81 7.431 5.984 -25.804 1.00 0.00 H new ATOM 0 HE1 MET A 81 7.791 9.735 -25.515 1.00 0.00 H new ATOM 0 HE2 MET A 81 7.697 8.426 -24.313 1.00 0.00 H new ATOM 0 HE3 MET A 81 8.605 8.183 -25.824 1.00 0.00 H new ATOM 346 N ALA A 82 3.450 3.563 -28.062 1.00 0.00 N ATOM 347 CA ALA A 82 2.777 3.015 -29.233 1.00 0.00 C ATOM 348 C ALA A 82 1.262 3.104 -29.088 1.00 0.00 C ATOM 349 O ALA A 82 0.563 3.518 -30.012 1.00 0.00 O ATOM 350 CB ALA A 82 3.203 1.572 -29.460 1.00 0.00 C ATOM 0 H ALA A 82 3.966 2.876 -27.512 1.00 0.00 H new ATOM 0 HA ALA A 82 3.068 3.609 -30.099 1.00 0.00 H new ATOM 0 HB1 ALA A 82 2.692 1.176 -30.338 1.00 0.00 H new ATOM 0 HB2 ALA A 82 4.281 1.531 -29.618 1.00 0.00 H new ATOM 0 HB3 ALA A 82 2.941 0.974 -28.587 1.00 0.00 H new ATOM 356 N GLY A 83 0.760 2.712 -27.920 1.00 0.00 N ATOM 357 CA GLY A 83 -0.670 2.756 -27.676 1.00 0.00 C ATOM 358 C GLY A 83 -1.221 4.168 -27.704 1.00 0.00 C ATOM 359 O GLY A 83 -2.174 4.456 -28.428 1.00 0.00 O ATOM 0 H GLY A 83 1.318 2.365 -27.140 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -1.182 2.155 -28.427 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -0.884 2.305 -26.707 1.00 0.00 H new ATOM 363 N VAL A 84 -0.620 5.051 -26.912 1.00 0.00 N ATOM 364 CA VAL A 84 -1.057 6.441 -26.849 1.00 0.00 C ATOM 365 C VAL A 84 -1.092 7.070 -28.237 1.00 0.00 C ATOM 366 O VAL A 84 -2.137 7.539 -28.690 1.00 0.00 O ATOM 367 CB VAL A 84 -0.135 7.277 -25.941 1.00 0.00 C ATOM 368 CG1 VAL A 84 -0.473 8.756 -26.054 1.00 0.00 C ATOM 369 CG2 VAL A 84 -0.239 6.807 -24.498 1.00 0.00 C ATOM 0 H VAL A 84 0.170 4.829 -26.306 1.00 0.00 H new ATOM 0 HA VAL A 84 -2.063 6.438 -26.430 1.00 0.00 H new ATOM 0 HB VAL A 84 0.894 7.137 -26.271 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.188 9.331 -25.406 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.342 9.081 -27.086 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -1.508 8.917 -25.751 1.00 0.00 H new ATOM 0 HG21 VAL A 84 0.419 7.409 -23.871 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.267 6.915 -24.153 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.057 5.760 -24.434 1.00 0.00 H new ATOM 379 N ILE A 85 0.055 7.076 -28.907 1.00 0.00 N ATOM 380 CA ILE A 85 0.154 7.646 -30.245 1.00 0.00 C ATOM 381 C ILE A 85 -0.866 7.016 -31.188 1.00 0.00 C ATOM 382 O ILE A 85 -1.475 7.703 -32.007 1.00 0.00 O ATOM 383 CB ILE A 85 1.565 7.457 -30.834 1.00 0.00 C ATOM 384 CG1 ILE A 85 2.598 8.205 -29.988 1.00 0.00 C ATOM 385 CG2 ILE A 85 1.605 7.938 -32.277 1.00 0.00 C ATOM 386 CD1 ILE A 85 2.429 9.708 -30.018 1.00 0.00 C ATOM 0 H ILE A 85 0.929 6.693 -28.546 1.00 0.00 H new ATOM 0 HA ILE A 85 -0.052 8.712 -30.150 1.00 0.00 H new ATOM 0 HB ILE A 85 1.811 6.395 -30.819 1.00 0.00 H new ATOM 0 HG12 ILE A 85 2.529 7.860 -28.956 1.00 0.00 H new ATOM 0 HG13 ILE A 85 3.597 7.953 -30.342 1.00 0.00 H new ATOM 0 HG21 ILE A 85 2.608 7.798 -32.679 1.00 0.00 H new ATOM 0 HG22 ILE A 85 0.893 7.366 -32.871 1.00 0.00 H new ATOM 0 HG23 ILE A 85 1.343 8.995 -32.315 1.00 0.00 H new ATOM 0 HD11 ILE A 85 3.195 10.173 -29.397 1.00 0.00 H new ATOM 0 HD12 ILE A 85 2.528 10.065 -31.043 1.00 0.00 H new ATOM 0 HD13 ILE A 85 1.443 9.971 -29.636 1.00 0.00 H new ATOM 398 N GLY A 86 -1.048 5.705 -31.064 1.00 0.00 N ATOM 399 CA GLY A 86 -1.997 5.005 -31.911 1.00 0.00 C ATOM 400 C GLY A 86 -3.408 5.539 -31.765 1.00 0.00 C ATOM 401 O GLY A 86 -4.061 5.870 -32.755 1.00 0.00 O ATOM 0 H GLY A 86 -0.556 5.115 -30.393 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -1.684 5.093 -32.951 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -1.986 3.944 -31.664 1.00 0.00 H new ATOM 405 N THR A 87 -3.883 5.622 -30.525 1.00 0.00 N ATOM 406 CA THR A 87 -5.226 6.116 -30.253 1.00 0.00 C ATOM 407 C THR A 87 -5.419 7.521 -30.812 1.00 0.00 C ATOM 408 O THR A 87 -6.443 7.820 -31.427 1.00 0.00 O ATOM 409 CB THR A 87 -5.524 6.132 -28.742 1.00 0.00 C ATOM 410 OG1 THR A 87 -4.968 4.967 -28.121 1.00 0.00 O ATOM 411 CG2 THR A 87 -7.022 6.183 -28.486 1.00 0.00 C ATOM 0 H THR A 87 -3.356 5.353 -29.694 1.00 0.00 H new ATOM 0 HA THR A 87 -5.919 5.434 -30.745 1.00 0.00 H new ATOM 0 HB THR A 87 -5.068 7.025 -28.314 1.00 0.00 H new ATOM 0 HG1 THR A 87 -5.365 4.164 -28.518 1.00 0.00 H new ATOM 0 HG21 THR A 87 -7.207 6.193 -27.412 1.00 0.00 H new ATOM 0 HG22 THR A 87 -7.437 7.085 -28.935 1.00 0.00 H new ATOM 0 HG23 THR A 87 -7.497 5.307 -28.928 1.00 0.00 H new ATOM 419 N ILE A 88 -4.429 8.380 -30.594 1.00 0.00 N ATOM 420 CA ILE A 88 -4.490 9.754 -31.078 1.00 0.00 C ATOM 421 C ILE A 88 -4.755 9.797 -32.579 1.00 0.00 C ATOM 422 O ILE A 88 -5.664 10.488 -33.041 1.00 0.00 O ATOM 423 CB ILE A 88 -3.185 10.515 -30.777 1.00 0.00 C ATOM 424 CG1 ILE A 88 -2.976 10.635 -29.266 1.00 0.00 C ATOM 425 CG2 ILE A 88 -3.214 11.892 -31.423 1.00 0.00 C ATOM 426 CD1 ILE A 88 -4.020 11.486 -28.577 1.00 0.00 C ATOM 0 H ILE A 88 -3.575 8.149 -30.086 1.00 0.00 H new ATOM 0 HA ILE A 88 -5.313 10.238 -30.552 1.00 0.00 H new ATOM 0 HB ILE A 88 -2.350 9.955 -31.198 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -2.984 9.638 -28.826 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -1.990 11.059 -29.076 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -2.285 12.418 -31.201 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -3.322 11.785 -32.502 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -4.056 12.461 -31.029 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -3.809 11.527 -27.508 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -3.998 12.495 -28.990 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -5.007 11.051 -28.736 1.00 0.00 H new ATOM 438 N LEU A 89 -3.957 9.053 -33.337 1.00 0.00 N ATOM 439 CA LEU A 89 -4.106 9.003 -34.787 1.00 0.00 C ATOM 440 C LEU A 89 -5.516 8.568 -35.175 1.00 0.00 C ATOM 441 O LEU A 89 -6.196 9.246 -35.946 1.00 0.00 O ATOM 442 CB LEU A 89 -3.080 8.044 -35.393 1.00 0.00 C ATOM 443 CG LEU A 89 -1.643 8.562 -35.472 1.00 0.00 C ATOM 444 CD1 LEU A 89 -0.710 7.471 -35.974 1.00 0.00 C ATOM 445 CD2 LEU A 89 -1.567 9.787 -36.372 1.00 0.00 C ATOM 0 H LEU A 89 -3.200 8.476 -32.971 1.00 0.00 H new ATOM 0 HA LEU A 89 -3.933 10.005 -35.179 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -3.082 7.124 -34.808 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -3.407 7.782 -36.399 1.00 0.00 H new ATOM 0 HG LEU A 89 -1.325 8.851 -34.470 1.00 0.00 H new ATOM 0 HD11 LEU A 89 0.308 7.857 -36.024 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -0.743 6.622 -35.292 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -1.026 7.151 -36.967 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -0.538 10.142 -36.417 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -1.904 9.523 -37.375 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -2.205 10.574 -35.970 1.00 0.00 H new ATOM 457 N LEU A 90 -5.949 7.435 -34.634 1.00 0.00 N ATOM 458 CA LEU A 90 -7.280 6.910 -34.922 1.00 0.00 C ATOM 459 C LEU A 90 -8.357 7.928 -34.559 1.00 0.00 C ATOM 460 O LEU A 90 -9.244 8.219 -35.362 1.00 0.00 O ATOM 461 CB LEU A 90 -7.513 5.608 -34.153 1.00 0.00 C ATOM 462 CG LEU A 90 -6.664 4.412 -34.585 1.00 0.00 C ATOM 463 CD1 LEU A 90 -6.596 3.377 -33.473 1.00 0.00 C ATOM 464 CD2 LEU A 90 -7.223 3.794 -35.858 1.00 0.00 C ATOM 0 H LEU A 90 -5.399 6.862 -33.994 1.00 0.00 H new ATOM 0 HA LEU A 90 -7.341 6.709 -35.992 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -7.328 5.796 -33.095 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -8.564 5.336 -34.249 1.00 0.00 H new ATOM 0 HG LEU A 90 -5.652 4.763 -34.789 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -5.988 2.533 -33.798 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -6.150 3.825 -32.585 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -7.602 3.030 -33.237 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -6.606 2.944 -36.151 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -8.244 3.457 -35.681 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -7.219 4.537 -36.655 1.00 0.00 H new ATOM 476 N ILE A 91 -8.271 8.467 -33.348 1.00 0.00 N ATOM 477 CA ILE A 91 -9.236 9.455 -32.882 1.00 0.00 C ATOM 478 C ILE A 91 -9.333 10.628 -33.851 1.00 0.00 C ATOM 479 O ILE A 91 -10.428 11.045 -34.229 1.00 0.00 O ATOM 480 CB ILE A 91 -8.866 9.987 -31.484 1.00 0.00 C ATOM 481 CG1 ILE A 91 -8.970 8.869 -30.445 1.00 0.00 C ATOM 482 CG2 ILE A 91 -9.766 11.154 -31.107 1.00 0.00 C ATOM 483 CD1 ILE A 91 -8.104 9.095 -29.226 1.00 0.00 C ATOM 0 H ILE A 91 -7.543 8.236 -32.672 1.00 0.00 H new ATOM 0 HA ILE A 91 -10.201 8.952 -32.827 1.00 0.00 H new ATOM 0 HB ILE A 91 -7.835 10.341 -31.507 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -10.009 8.772 -30.130 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -8.689 7.924 -30.910 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -9.493 11.519 -30.117 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -9.646 11.956 -31.835 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -10.805 10.824 -31.098 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -8.228 8.263 -28.532 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -7.059 9.162 -29.529 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -8.400 10.023 -28.737 1.00 0.00 H new ATOM 495 N SER A 92 -8.181 11.155 -34.251 1.00 0.00 N ATOM 496 CA SER A 92 -8.136 12.283 -35.175 1.00 0.00 C ATOM 497 C SER A 92 -8.905 11.967 -36.455 1.00 0.00 C ATOM 498 O SER A 92 -9.436 12.863 -37.111 1.00 0.00 O ATOM 499 CB SER A 92 -6.686 12.636 -35.512 1.00 0.00 C ATOM 500 OG SER A 92 -6.241 11.929 -36.656 1.00 0.00 O ATOM 0 H SER A 92 -7.266 10.819 -33.950 1.00 0.00 H new ATOM 0 HA SER A 92 -8.607 13.138 -34.690 1.00 0.00 H new ATOM 0 HB2 SER A 92 -6.601 13.708 -35.688 1.00 0.00 H new ATOM 0 HB3 SER A 92 -6.044 12.400 -34.663 1.00 0.00 H new ATOM 0 HG SER A 92 -6.206 10.970 -36.455 1.00 0.00 H new ATOM 506 N TYR A 93 -8.959 10.686 -36.803 1.00 0.00 N ATOM 507 CA TYR A 93 -9.660 10.251 -38.005 1.00 0.00 C ATOM 508 C TYR A 93 -11.172 10.341 -37.818 1.00 0.00 C ATOM 509 O TYR A 93 -11.904 10.689 -38.742 1.00 0.00 O ATOM 510 CB TYR A 93 -9.264 8.817 -38.361 1.00 0.00 C ATOM 511 CG TYR A 93 -9.401 8.498 -39.833 1.00 0.00 C ATOM 512 CD1 TYR A 93 -8.392 8.824 -40.731 1.00 0.00 C ATOM 513 CD2 TYR A 93 -10.539 7.872 -40.325 1.00 0.00 C ATOM 514 CE1 TYR A 93 -8.513 8.535 -42.076 1.00 0.00 C ATOM 515 CE2 TYR A 93 -10.668 7.578 -41.669 1.00 0.00 C ATOM 516 CZ TYR A 93 -9.652 7.912 -42.540 1.00 0.00 C ATOM 517 OH TYR A 93 -9.777 7.622 -43.880 1.00 0.00 O ATOM 0 H TYR A 93 -8.526 9.932 -36.270 1.00 0.00 H new ATOM 0 HA TYR A 93 -9.373 10.914 -38.821 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -8.231 8.648 -38.056 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -9.883 8.126 -37.789 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -7.498 9.312 -40.371 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -11.337 7.611 -39.646 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -7.720 8.796 -42.761 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -11.559 7.090 -42.035 1.00 0.00 H new ATOM 0 HH TYR A 93 -10.638 7.182 -44.041 1.00 0.00 H new ATOM 527 N GLY A 94 -11.631 10.023 -36.611 1.00 0.00 N ATOM 528 CA GLY A 94 -13.053 10.075 -36.321 1.00 0.00 C ATOM 529 C GLY A 94 -13.612 11.481 -36.410 1.00 0.00 C ATOM 530 O GLY A 94 -14.734 11.682 -36.874 1.00 0.00 O ATOM 0 H GLY A 94 -11.044 9.731 -35.829 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -13.587 9.430 -37.019 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -13.231 9.679 -35.321 1.00 0.00 H new ATOM 534 N ILE A 95 -12.828 12.457 -35.962 1.00 0.00 N ATOM 535 CA ILE A 95 -13.252 13.851 -35.993 1.00 0.00 C ATOM 536 C ILE A 95 -13.414 14.345 -37.426 1.00 0.00 C ATOM 537 O ILE A 95 -14.256 15.197 -37.709 1.00 0.00 O ATOM 538 CB ILE A 95 -12.250 14.760 -35.258 1.00 0.00 C ATOM 539 CG1 ILE A 95 -12.105 14.322 -33.799 1.00 0.00 C ATOM 540 CG2 ILE A 95 -12.695 16.213 -35.338 1.00 0.00 C ATOM 541 CD1 ILE A 95 -13.406 14.344 -33.029 1.00 0.00 C ATOM 0 H ILE A 95 -11.897 12.308 -35.574 1.00 0.00 H new ATOM 0 HA ILE A 95 -14.215 13.899 -35.484 1.00 0.00 H new ATOM 0 HB ILE A 95 -11.278 14.670 -35.743 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -11.692 13.314 -33.770 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -11.387 14.974 -33.302 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -11.976 16.843 -34.814 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -12.752 16.519 -36.383 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -13.676 16.319 -34.875 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -13.227 14.022 -32.003 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -13.810 15.356 -33.026 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -14.120 13.670 -33.502 1.00 0.00 H new ATOM 553 N ARG A 96 -12.601 13.804 -38.328 1.00 0.00 N ATOM 554 CA ARG A 96 -12.654 14.189 -39.733 1.00 0.00 C ATOM 555 C ARG A 96 -13.877 13.584 -40.417 1.00 0.00 C ATOM 556 O ARG A 96 -14.393 14.136 -41.390 1.00 0.00 O ATOM 557 CB ARG A 96 -11.381 13.743 -40.455 1.00 0.00 C ATOM 558 CG ARG A 96 -10.369 14.860 -40.649 1.00 0.00 C ATOM 559 CD ARG A 96 -9.005 14.313 -41.041 1.00 0.00 C ATOM 560 NE ARG A 96 -8.098 15.369 -41.483 1.00 0.00 N ATOM 561 CZ ARG A 96 -6.983 15.142 -42.169 1.00 0.00 C ATOM 562 NH1 ARG A 96 -6.640 13.902 -42.490 1.00 0.00 N ATOM 563 NH2 ARG A 96 -6.210 16.156 -42.535 1.00 0.00 N ATOM 0 H ARG A 96 -11.898 13.098 -38.110 1.00 0.00 H new ATOM 0 HA ARG A 96 -12.731 15.275 -39.783 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -10.915 12.937 -39.888 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -11.650 13.334 -41.429 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -10.723 15.544 -41.420 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -10.280 15.436 -39.728 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -8.566 13.791 -40.191 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -9.124 13.580 -41.839 1.00 0.00 H new ATOM 0 HE ARG A 96 -8.334 16.334 -41.252 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -7.233 13.120 -42.210 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -5.784 13.730 -43.017 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -6.471 17.111 -42.290 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -5.354 15.981 -43.062 1.00 0.00 H new ATOM 577 N ARG A 97 -14.336 12.449 -39.902 1.00 0.00 N ATOM 578 CA ARG A 97 -15.497 11.769 -40.463 1.00 0.00 C ATOM 579 C ARG A 97 -15.250 11.383 -41.919 1.00 0.00 C ATOM 580 O ARG A 97 -16.184 11.299 -42.717 1.00 0.00 O ATOM 581 CB ARG A 97 -16.735 12.662 -40.364 1.00 0.00 C ATOM 582 CG ARG A 97 -18.039 11.887 -40.267 1.00 0.00 C ATOM 583 CD ARG A 97 -19.178 12.772 -39.786 1.00 0.00 C ATOM 584 NE ARG A 97 -19.137 12.982 -38.342 1.00 0.00 N ATOM 585 CZ ARG A 97 -20.099 13.593 -37.660 1.00 0.00 C ATOM 586 NH1 ARG A 97 -21.173 14.052 -38.289 1.00 0.00 N ATOM 587 NH2 ARG A 97 -19.989 13.746 -36.347 1.00 0.00 N ATOM 0 H ARG A 97 -13.921 11.980 -39.096 1.00 0.00 H new ATOM 0 HA ARG A 97 -15.667 10.859 -39.887 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -16.639 13.306 -39.490 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -16.773 13.313 -41.237 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -18.288 11.469 -41.242 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -17.915 11.048 -39.583 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -19.128 13.735 -40.294 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -20.130 12.317 -40.059 1.00 0.00 H new ATOM 0 HE ARG A 97 -18.325 12.641 -37.828 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -21.261 13.936 -39.299 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -21.911 14.521 -37.763 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -19.165 13.394 -35.860 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -20.729 14.215 -35.825 1.00 0.00 H new ATOM 601 N LEU A 98 -13.986 11.150 -42.257 1.00 0.00 N ATOM 602 CA LEU A 98 -13.615 10.773 -43.617 1.00 0.00 C ATOM 603 C LEU A 98 -12.259 10.076 -43.638 1.00 0.00 C ATOM 604 O LEU A 98 -11.234 10.750 -43.547 1.00 0.00 O ATOM 605 CB LEU A 98 -13.580 12.009 -44.517 1.00 0.00 C ATOM 606 CG LEU A 98 -14.363 11.908 -45.827 1.00 0.00 C ATOM 607 CD1 LEU A 98 -15.852 12.080 -45.574 1.00 0.00 C ATOM 608 CD2 LEU A 98 -13.867 12.943 -46.826 1.00 0.00 C ATOM 0 H LEU A 98 -13.201 11.215 -41.609 1.00 0.00 H new ATOM 0 HA LEU A 98 -14.366 10.078 -43.993 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -13.966 12.857 -43.951 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -12.540 12.231 -44.755 1.00 0.00 H new ATOM 0 HG LEU A 98 -14.200 10.917 -46.250 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -16.392 12.005 -46.518 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -16.198 11.301 -44.895 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -16.035 13.058 -45.128 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -14.435 12.856 -47.752 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -14.000 13.942 -46.411 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -12.810 12.773 -47.032 1.00 0.00 H new TER 620 LEU A 98 ATOM 621 N ARG B 61 3.563 -4.611 -0.118 1.00 0.00 N ATOM 622 CA ARG B 61 4.914 -4.185 -0.464 1.00 0.00 C ATOM 623 C ARG B 61 5.832 -5.389 -0.654 1.00 0.00 C ATOM 624 O ARG B 61 6.809 -5.326 -1.401 1.00 0.00 O ATOM 625 CB ARG B 61 5.476 -3.268 0.624 1.00 0.00 C ATOM 626 CG ARG B 61 6.766 -2.570 0.225 1.00 0.00 C ATOM 627 CD ARG B 61 7.624 -2.249 1.439 1.00 0.00 C ATOM 628 NE ARG B 61 9.041 -2.156 1.097 1.00 0.00 N ATOM 629 CZ ARG B 61 9.964 -1.665 1.918 1.00 0.00 C ATOM 630 NH1 ARG B 61 9.620 -1.226 3.120 1.00 0.00 N ATOM 631 NH2 ARG B 61 11.233 -1.613 1.535 1.00 0.00 N ATOM 0 HA ARG B 61 4.866 -3.635 -1.404 1.00 0.00 H new ATOM 0 HB2 ARG B 61 4.728 -2.516 0.875 1.00 0.00 H new ATOM 0 HB3 ARG B 61 5.654 -3.854 1.526 1.00 0.00 H new ATOM 0 HG2 ARG B 61 7.327 -3.204 -0.461 1.00 0.00 H new ATOM 0 HG3 ARG B 61 6.533 -1.650 -0.311 1.00 0.00 H new ATOM 0 HD2 ARG B 61 7.294 -1.307 1.878 1.00 0.00 H new ATOM 0 HD3 ARG B 61 7.484 -3.020 2.197 1.00 0.00 H new ATOM 0 HE ARG B 61 9.338 -2.486 0.179 1.00 0.00 H new ATOM 0 HH11 ARG B 61 8.645 -1.264 3.417 1.00 0.00 H new ATOM 0 HH12 ARG B 61 10.330 -0.850 3.748 1.00 0.00 H new ATOM 0 HH21 ARG B 61 11.501 -1.950 0.610 1.00 0.00 H new ATOM 0 HH22 ARG B 61 11.941 -1.236 2.165 1.00 0.00 H new ATOM 645 N VAL B 62 5.511 -6.484 0.027 1.00 0.00 N ATOM 646 CA VAL B 62 6.306 -7.703 -0.067 1.00 0.00 C ATOM 647 C VAL B 62 6.473 -8.139 -1.519 1.00 0.00 C ATOM 648 O VAL B 62 5.563 -8.715 -2.112 1.00 0.00 O ATOM 649 CB VAL B 62 5.666 -8.854 0.732 1.00 0.00 C ATOM 650 CG1 VAL B 62 5.892 -8.658 2.224 1.00 0.00 C ATOM 651 CG2 VAL B 62 4.181 -8.959 0.419 1.00 0.00 C ATOM 0 H VAL B 62 4.706 -6.552 0.650 1.00 0.00 H new ATOM 0 HA VAL B 62 7.284 -7.476 0.357 1.00 0.00 H new ATOM 0 HB VAL B 62 6.143 -9.788 0.436 1.00 0.00 H new ATOM 0 HG11 VAL B 62 5.433 -9.480 2.773 1.00 0.00 H new ATOM 0 HG12 VAL B 62 6.962 -8.637 2.430 1.00 0.00 H new ATOM 0 HG13 VAL B 62 5.443 -7.716 2.539 1.00 0.00 H new ATOM 0 HG21 VAL B 62 3.745 -9.777 0.992 1.00 0.00 H new ATOM 0 HG22 VAL B 62 3.686 -8.025 0.686 1.00 0.00 H new ATOM 0 HG23 VAL B 62 4.046 -9.150 -0.646 1.00 0.00 H new ATOM 661 N GLN B 63 7.644 -7.860 -2.083 1.00 0.00 N ATOM 662 CA GLN B 63 7.931 -8.224 -3.466 1.00 0.00 C ATOM 663 C GLN B 63 8.432 -9.661 -3.558 1.00 0.00 C ATOM 664 O GLN B 63 8.854 -10.248 -2.560 1.00 0.00 O ATOM 665 CB GLN B 63 8.968 -7.270 -4.061 1.00 0.00 C ATOM 666 CG GLN B 63 8.444 -6.456 -5.233 1.00 0.00 C ATOM 667 CD GLN B 63 8.687 -4.969 -5.066 1.00 0.00 C ATOM 668 OE1 GLN B 63 9.793 -4.479 -5.297 1.00 0.00 O ATOM 669 NE2 GLN B 63 7.653 -4.241 -4.661 1.00 0.00 N ATOM 0 H GLN B 63 8.408 -7.384 -1.604 1.00 0.00 H new ATOM 0 HA GLN B 63 7.005 -8.145 -4.036 1.00 0.00 H new ATOM 0 HB2 GLN B 63 9.313 -6.590 -3.282 1.00 0.00 H new ATOM 0 HB3 GLN B 63 9.834 -7.846 -4.388 1.00 0.00 H new ATOM 0 HG2 GLN B 63 8.923 -6.798 -6.151 1.00 0.00 H new ATOM 0 HG3 GLN B 63 7.375 -6.635 -5.346 1.00 0.00 H new ATOM 0 HE21 GLN B 63 6.754 -4.688 -4.481 1.00 0.00 H new ATOM 0 HE22 GLN B 63 7.758 -3.235 -4.530 1.00 0.00 H new ATOM 678 N LEU B 64 8.383 -10.223 -4.760 1.00 0.00 N ATOM 679 CA LEU B 64 8.832 -11.593 -4.983 1.00 0.00 C ATOM 680 C LEU B 64 8.109 -12.562 -4.053 1.00 0.00 C ATOM 681 O LEU B 64 7.228 -12.165 -3.291 1.00 0.00 O ATOM 682 CB LEU B 64 10.343 -11.697 -4.771 1.00 0.00 C ATOM 683 CG LEU B 64 11.217 -11.000 -5.815 1.00 0.00 C ATOM 684 CD1 LEU B 64 12.665 -10.950 -5.352 1.00 0.00 C ATOM 685 CD2 LEU B 64 11.109 -11.708 -7.158 1.00 0.00 C ATOM 0 H LEU B 64 8.037 -9.751 -5.596 1.00 0.00 H new ATOM 0 HA LEU B 64 8.596 -11.862 -6.013 1.00 0.00 H new ATOM 0 HB2 LEU B 64 10.582 -11.283 -3.791 1.00 0.00 H new ATOM 0 HB3 LEU B 64 10.614 -12.752 -4.745 1.00 0.00 H new ATOM 0 HG LEU B 64 10.860 -9.977 -5.935 1.00 0.00 H new ATOM 0 HD11 LEU B 64 13.272 -10.451 -6.108 1.00 0.00 H new ATOM 0 HD12 LEU B 64 12.728 -10.399 -4.414 1.00 0.00 H new ATOM 0 HD13 LEU B 64 13.034 -11.965 -5.203 1.00 0.00 H new ATOM 0 HD21 LEU B 64 11.737 -11.199 -7.889 1.00 0.00 H new ATOM 0 HD22 LEU B 64 11.440 -12.741 -7.052 1.00 0.00 H new ATOM 0 HD23 LEU B 64 10.073 -11.691 -7.496 1.00 0.00 H new ATOM 697 N ALA B 65 8.489 -13.833 -4.119 1.00 0.00 N ATOM 698 CA ALA B 65 7.880 -14.858 -3.280 1.00 0.00 C ATOM 699 C ALA B 65 8.830 -16.032 -3.070 1.00 0.00 C ATOM 700 O ALA B 65 9.486 -16.135 -2.032 1.00 0.00 O ATOM 701 CB ALA B 65 6.574 -15.337 -3.896 1.00 0.00 C ATOM 0 H ALA B 65 9.216 -14.178 -4.745 1.00 0.00 H new ATOM 0 HA ALA B 65 7.669 -14.417 -2.306 1.00 0.00 H new ATOM 0 HB1 ALA B 65 6.130 -16.102 -3.259 1.00 0.00 H new ATOM 0 HB2 ALA B 65 5.885 -14.497 -3.988 1.00 0.00 H new ATOM 0 HB3 ALA B 65 6.769 -15.755 -4.883 1.00 0.00 H new ATOM 707 N HIS B 66 8.900 -16.915 -4.060 1.00 0.00 N ATOM 708 CA HIS B 66 9.770 -18.083 -3.983 1.00 0.00 C ATOM 709 C HIS B 66 9.971 -18.703 -5.363 1.00 0.00 C ATOM 710 O HIS B 66 9.962 -19.925 -5.513 1.00 0.00 O ATOM 711 CB HIS B 66 9.184 -19.121 -3.026 1.00 0.00 C ATOM 712 CG HIS B 66 10.209 -19.779 -2.155 1.00 0.00 C ATOM 713 ND1 HIS B 66 10.193 -19.696 -0.779 1.00 0.00 N ATOM 714 CD2 HIS B 66 11.285 -20.537 -2.472 1.00 0.00 C ATOM 715 CE1 HIS B 66 11.215 -20.372 -0.287 1.00 0.00 C ATOM 716 NE2 HIS B 66 11.893 -20.893 -1.294 1.00 0.00 N ATOM 0 H HIS B 66 8.365 -16.844 -4.925 1.00 0.00 H new ATOM 0 HA HIS B 66 10.739 -17.758 -3.605 1.00 0.00 H new ATOM 0 HB2 HIS B 66 8.437 -18.640 -2.394 1.00 0.00 H new ATOM 0 HB3 HIS B 66 8.667 -19.886 -3.605 1.00 0.00 H new ATOM 0 HD2 HIS B 66 11.605 -20.811 -3.466 1.00 0.00 H new ATOM 0 HE1 HIS B 66 11.456 -20.480 0.760 1.00 0.00 H new ATOM 0 HE2 HIS B 66 12.732 -21.467 -1.210 1.00 0.00 H new ATOM 724 N HIS B 67 10.152 -17.852 -6.368 1.00 0.00 N ATOM 725 CA HIS B 67 10.355 -18.316 -7.736 1.00 0.00 C ATOM 726 C HIS B 67 10.630 -17.144 -8.673 1.00 0.00 C ATOM 727 O HIS B 67 9.704 -16.521 -9.193 1.00 0.00 O ATOM 728 CB HIS B 67 9.131 -19.094 -8.220 1.00 0.00 C ATOM 729 CG HIS B 67 9.253 -19.588 -9.628 1.00 0.00 C ATOM 730 ND1 HIS B 67 8.783 -18.884 -10.717 1.00 0.00 N ATOM 731 CD2 HIS B 67 9.798 -20.724 -10.124 1.00 0.00 C ATOM 732 CE1 HIS B 67 9.032 -19.566 -11.820 1.00 0.00 C ATOM 733 NE2 HIS B 67 9.648 -20.686 -11.488 1.00 0.00 N ATOM 0 H HIS B 67 10.162 -16.838 -6.261 1.00 0.00 H new ATOM 0 HA HIS B 67 11.223 -18.976 -7.744 1.00 0.00 H new ATOM 0 HB2 HIS B 67 8.967 -19.944 -7.558 1.00 0.00 H new ATOM 0 HB3 HIS B 67 8.251 -18.455 -8.143 1.00 0.00 H new ATOM 0 HD2 HIS B 67 10.264 -21.513 -9.553 1.00 0.00 H new ATOM 0 HE1 HIS B 67 8.775 -19.260 -12.823 1.00 0.00 H new ATOM 0 HE2 HIS B 67 9.961 -21.406 -12.139 1.00 0.00 H new ATOM 741 N PHE B 68 11.908 -16.847 -8.883 1.00 0.00 N ATOM 742 CA PHE B 68 12.305 -15.748 -9.755 1.00 0.00 C ATOM 743 C PHE B 68 11.821 -15.986 -11.183 1.00 0.00 C ATOM 744 O PHE B 68 11.360 -17.076 -11.520 1.00 0.00 O ATOM 745 CB PHE B 68 13.826 -15.582 -9.741 1.00 0.00 C ATOM 746 CG PHE B 68 14.271 -14.157 -9.569 1.00 0.00 C ATOM 747 CD1 PHE B 68 14.039 -13.484 -8.381 1.00 0.00 C ATOM 748 CD2 PHE B 68 14.921 -13.492 -10.596 1.00 0.00 C ATOM 749 CE1 PHE B 68 14.448 -12.174 -8.219 1.00 0.00 C ATOM 750 CE2 PHE B 68 15.332 -12.182 -10.440 1.00 0.00 C ATOM 751 CZ PHE B 68 15.094 -11.521 -9.250 1.00 0.00 C ATOM 0 H PHE B 68 12.687 -17.352 -8.461 1.00 0.00 H new ATOM 0 HA PHE B 68 11.843 -14.834 -9.381 1.00 0.00 H new ATOM 0 HB2 PHE B 68 14.242 -16.184 -8.933 1.00 0.00 H new ATOM 0 HB3 PHE B 68 14.235 -15.972 -10.673 1.00 0.00 H new ATOM 0 HD1 PHE B 68 13.533 -13.989 -7.572 1.00 0.00 H new ATOM 0 HD2 PHE B 68 15.109 -14.003 -11.529 1.00 0.00 H new ATOM 0 HE1 PHE B 68 14.263 -11.661 -7.287 1.00 0.00 H new ATOM 0 HE2 PHE B 68 15.839 -11.675 -11.248 1.00 0.00 H new ATOM 0 HZ PHE B 68 15.412 -10.496 -9.127 1.00 0.00 H new ATOM 761 N SER B 69 11.930 -14.956 -12.017 1.00 0.00 N ATOM 762 CA SER B 69 11.500 -15.050 -13.407 1.00 0.00 C ATOM 763 C SER B 69 12.013 -13.862 -14.216 1.00 0.00 C ATOM 764 O SER B 69 12.869 -13.109 -13.755 1.00 0.00 O ATOM 765 CB SER B 69 9.973 -15.115 -13.488 1.00 0.00 C ATOM 766 OG SER B 69 9.548 -15.523 -14.776 1.00 0.00 O ATOM 0 H SER B 69 12.312 -14.048 -11.754 1.00 0.00 H new ATOM 0 HA SER B 69 11.918 -15.963 -13.830 1.00 0.00 H new ATOM 0 HB2 SER B 69 9.595 -15.811 -12.739 1.00 0.00 H new ATOM 0 HB3 SER B 69 9.551 -14.137 -13.255 1.00 0.00 H new ATOM 0 HG SER B 69 8.569 -15.558 -14.801 1.00 0.00 H new ATOM 772 N GLU B 70 11.482 -13.704 -15.424 1.00 0.00 N ATOM 773 CA GLU B 70 11.887 -12.608 -16.298 1.00 0.00 C ATOM 774 C GLU B 70 10.887 -12.422 -17.435 1.00 0.00 C ATOM 775 O GLU B 70 11.153 -12.754 -18.590 1.00 0.00 O ATOM 776 CB GLU B 70 13.282 -12.871 -16.868 1.00 0.00 C ATOM 777 CG GLU B 70 13.489 -14.301 -17.336 1.00 0.00 C ATOM 778 CD GLU B 70 14.822 -14.501 -18.031 1.00 0.00 C ATOM 779 OE1 GLU B 70 15.744 -13.695 -17.786 1.00 0.00 O ATOM 780 OE2 GLU B 70 14.943 -15.462 -18.819 1.00 0.00 O ATOM 0 H GLU B 70 10.772 -14.320 -15.820 1.00 0.00 H new ATOM 0 HA GLU B 70 11.911 -11.693 -15.706 1.00 0.00 H new ATOM 0 HB2 GLU B 70 13.457 -12.195 -17.705 1.00 0.00 H new ATOM 0 HB3 GLU B 70 14.026 -12.635 -16.107 1.00 0.00 H new ATOM 0 HG2 GLU B 70 13.426 -14.972 -16.479 1.00 0.00 H new ATOM 0 HG3 GLU B 70 12.684 -14.577 -18.017 1.00 0.00 H new ATOM 787 N PRO B 71 9.707 -11.878 -17.102 1.00 0.00 N ATOM 788 CA PRO B 71 8.643 -11.635 -18.080 1.00 0.00 C ATOM 789 C PRO B 71 8.995 -10.515 -19.053 1.00 0.00 C ATOM 790 O PRO B 71 10.064 -9.913 -18.959 1.00 0.00 O ATOM 791 CB PRO B 71 7.447 -11.234 -17.212 1.00 0.00 C ATOM 792 CG PRO B 71 8.052 -10.683 -15.967 1.00 0.00 C ATOM 793 CD PRO B 71 9.320 -11.459 -15.744 1.00 0.00 C ATOM 0 HA PRO B 71 8.458 -12.508 -18.706 1.00 0.00 H new ATOM 0 HB2 PRO B 71 6.826 -10.492 -17.713 1.00 0.00 H new ATOM 0 HB3 PRO B 71 6.809 -12.091 -16.997 1.00 0.00 H new ATOM 0 HG2 PRO B 71 8.260 -9.618 -16.072 1.00 0.00 H new ATOM 0 HG3 PRO B 71 7.373 -10.793 -15.121 1.00 0.00 H new ATOM 0 HD2 PRO B 71 10.090 -10.845 -15.278 1.00 0.00 H new ATOM 0 HD3 PRO B 71 9.157 -12.316 -15.090 1.00 0.00 H new ATOM 801 N GLU B 72 8.088 -10.241 -19.986 1.00 0.00 N ATOM 802 CA GLU B 72 8.305 -9.192 -20.976 1.00 0.00 C ATOM 803 C GLU B 72 7.004 -8.844 -21.693 1.00 0.00 C ATOM 804 O GLU B 72 6.570 -7.692 -21.689 1.00 0.00 O ATOM 805 CB GLU B 72 9.359 -9.632 -21.994 1.00 0.00 C ATOM 806 CG GLU B 72 9.469 -8.706 -23.194 1.00 0.00 C ATOM 807 CD GLU B 72 8.629 -9.170 -24.368 1.00 0.00 C ATOM 808 OE1 GLU B 72 8.550 -10.397 -24.591 1.00 0.00 O ATOM 809 OE2 GLU B 72 8.053 -8.309 -25.063 1.00 0.00 O ATOM 0 H GLU B 72 7.197 -10.730 -20.077 1.00 0.00 H new ATOM 0 HA GLU B 72 8.662 -8.303 -20.455 1.00 0.00 H new ATOM 0 HB2 GLU B 72 10.329 -9.689 -21.499 1.00 0.00 H new ATOM 0 HB3 GLU B 72 9.119 -10.637 -22.342 1.00 0.00 H new ATOM 0 HG2 GLU B 72 9.158 -7.703 -22.904 1.00 0.00 H new ATOM 0 HG3 GLU B 72 10.512 -8.639 -23.502 1.00 0.00 H new ATOM 816 N ILE B 73 6.387 -9.848 -22.309 1.00 0.00 N ATOM 817 CA ILE B 73 5.136 -9.648 -23.030 1.00 0.00 C ATOM 818 C ILE B 73 4.124 -8.892 -22.176 1.00 0.00 C ATOM 819 O ILE B 73 3.567 -7.880 -22.602 1.00 0.00 O ATOM 820 CB ILE B 73 4.520 -10.989 -23.470 1.00 0.00 C ATOM 821 CG1 ILE B 73 5.494 -11.752 -24.369 1.00 0.00 C ATOM 822 CG2 ILE B 73 3.200 -10.754 -24.189 1.00 0.00 C ATOM 823 CD1 ILE B 73 5.179 -13.227 -24.487 1.00 0.00 C ATOM 0 H ILE B 73 6.733 -10.807 -22.323 1.00 0.00 H new ATOM 0 HA ILE B 73 5.373 -9.058 -23.916 1.00 0.00 H new ATOM 0 HB ILE B 73 4.326 -11.592 -22.583 1.00 0.00 H new ATOM 0 HG12 ILE B 73 5.483 -11.306 -25.363 1.00 0.00 H new ATOM 0 HG13 ILE B 73 6.505 -11.635 -23.978 1.00 0.00 H new ATOM 0 HG21 ILE B 73 2.776 -11.711 -24.494 1.00 0.00 H new ATOM 0 HG22 ILE B 73 2.506 -10.247 -23.519 1.00 0.00 H new ATOM 0 HG23 ILE B 73 3.371 -10.135 -25.070 1.00 0.00 H new ATOM 0 HD11 ILE B 73 5.910 -13.704 -25.139 1.00 0.00 H new ATOM 0 HD12 ILE B 73 5.218 -13.688 -23.500 1.00 0.00 H new ATOM 0 HD13 ILE B 73 4.181 -13.353 -24.907 1.00 0.00 H new ATOM 835 N THR B 74 3.891 -9.389 -20.965 1.00 0.00 N ATOM 836 CA THR B 74 2.947 -8.761 -20.050 1.00 0.00 C ATOM 837 C THR B 74 3.216 -7.265 -19.923 1.00 0.00 C ATOM 838 O THR B 74 2.298 -6.449 -20.014 1.00 0.00 O ATOM 839 CB THR B 74 3.009 -9.402 -18.650 1.00 0.00 C ATOM 840 OG1 THR B 74 2.732 -10.804 -18.741 1.00 0.00 O ATOM 841 CG2 THR B 74 2.014 -8.743 -17.708 1.00 0.00 C ATOM 0 H THR B 74 4.344 -10.225 -20.596 1.00 0.00 H new ATOM 0 HA THR B 74 1.952 -8.915 -20.468 1.00 0.00 H new ATOM 0 HB THR B 74 4.013 -9.255 -18.252 1.00 0.00 H new ATOM 0 HG1 THR B 74 2.775 -11.205 -17.848 1.00 0.00 H new ATOM 0 HG21 THR B 74 2.076 -9.213 -16.726 1.00 0.00 H new ATOM 0 HG22 THR B 74 2.246 -7.682 -17.618 1.00 0.00 H new ATOM 0 HG23 THR B 74 1.005 -8.862 -18.103 1.00 0.00 H new ATOM 849 N LEU B 75 4.479 -6.912 -19.714 1.00 0.00 N ATOM 850 CA LEU B 75 4.869 -5.513 -19.576 1.00 0.00 C ATOM 851 C LEU B 75 4.436 -4.704 -20.794 1.00 0.00 C ATOM 852 O LEU B 75 3.835 -3.637 -20.661 1.00 0.00 O ATOM 853 CB LEU B 75 6.383 -5.401 -19.388 1.00 0.00 C ATOM 854 CG LEU B 75 6.948 -6.021 -18.109 1.00 0.00 C ATOM 855 CD1 LEU B 75 8.469 -6.018 -18.141 1.00 0.00 C ATOM 856 CD2 LEU B 75 6.437 -5.277 -16.884 1.00 0.00 C ATOM 0 H LEU B 75 5.251 -7.575 -19.636 1.00 0.00 H new ATOM 0 HA LEU B 75 4.369 -5.108 -18.697 1.00 0.00 H new ATOM 0 HB2 LEU B 75 6.871 -5.871 -20.242 1.00 0.00 H new ATOM 0 HB3 LEU B 75 6.654 -4.345 -19.407 1.00 0.00 H new ATOM 0 HG LEU B 75 6.608 -7.055 -18.049 1.00 0.00 H new ATOM 0 HD11 LEU B 75 8.853 -6.463 -17.223 1.00 0.00 H new ATOM 0 HD12 LEU B 75 8.816 -6.596 -18.997 1.00 0.00 H new ATOM 0 HD13 LEU B 75 8.829 -4.993 -18.226 1.00 0.00 H new ATOM 0 HD21 LEU B 75 6.849 -5.732 -15.984 1.00 0.00 H new ATOM 0 HD22 LEU B 75 6.746 -4.233 -16.937 1.00 0.00 H new ATOM 0 HD23 LEU B 75 5.349 -5.332 -16.853 1.00 0.00 H new ATOM 868 N ILE B 76 4.742 -5.220 -21.980 1.00 0.00 N ATOM 869 CA ILE B 76 4.382 -4.547 -23.221 1.00 0.00 C ATOM 870 C ILE B 76 2.881 -4.280 -23.286 1.00 0.00 C ATOM 871 O ILE B 76 2.451 -3.179 -23.628 1.00 0.00 O ATOM 872 CB ILE B 76 4.799 -5.373 -24.452 1.00 0.00 C ATOM 873 CG1 ILE B 76 6.285 -5.727 -24.375 1.00 0.00 C ATOM 874 CG2 ILE B 76 4.496 -4.608 -25.731 1.00 0.00 C ATOM 875 CD1 ILE B 76 7.197 -4.521 -24.423 1.00 0.00 C ATOM 0 H ILE B 76 5.238 -6.102 -22.107 1.00 0.00 H new ATOM 0 HA ILE B 76 4.919 -3.598 -23.232 1.00 0.00 H new ATOM 0 HB ILE B 76 4.224 -6.299 -24.462 1.00 0.00 H new ATOM 0 HG12 ILE B 76 6.472 -6.277 -23.453 1.00 0.00 H new ATOM 0 HG13 ILE B 76 6.534 -6.394 -25.200 1.00 0.00 H new ATOM 0 HG21 ILE B 76 4.796 -5.205 -26.592 1.00 0.00 H new ATOM 0 HG22 ILE B 76 3.427 -4.402 -25.787 1.00 0.00 H new ATOM 0 HG23 ILE B 76 5.047 -3.668 -25.732 1.00 0.00 H new ATOM 0 HD11 ILE B 76 8.235 -4.847 -24.364 1.00 0.00 H new ATOM 0 HD12 ILE B 76 7.039 -3.982 -25.357 1.00 0.00 H new ATOM 0 HD13 ILE B 76 6.975 -3.863 -23.583 1.00 0.00 H new ATOM 887 N ILE B 77 2.091 -5.296 -22.955 1.00 0.00 N ATOM 888 CA ILE B 77 0.639 -5.171 -22.973 1.00 0.00 C ATOM 889 C ILE B 77 0.162 -4.153 -21.942 1.00 0.00 C ATOM 890 O ILE B 77 -0.620 -3.255 -22.256 1.00 0.00 O ATOM 891 CB ILE B 77 -0.046 -6.522 -22.698 1.00 0.00 C ATOM 892 CG1 ILE B 77 0.389 -7.559 -23.735 1.00 0.00 C ATOM 893 CG2 ILE B 77 -1.559 -6.360 -22.705 1.00 0.00 C ATOM 894 CD1 ILE B 77 -0.359 -8.870 -23.629 1.00 0.00 C ATOM 0 H ILE B 77 2.432 -6.214 -22.671 1.00 0.00 H new ATOM 0 HA ILE B 77 0.364 -4.830 -23.971 1.00 0.00 H new ATOM 0 HB ILE B 77 0.258 -6.873 -21.712 1.00 0.00 H new ATOM 0 HG12 ILE B 77 0.243 -7.146 -24.733 1.00 0.00 H new ATOM 0 HG13 ILE B 77 1.456 -7.749 -23.622 1.00 0.00 H new ATOM 0 HG21 ILE B 77 -2.029 -7.324 -22.509 1.00 0.00 H new ATOM 0 HG22 ILE B 77 -1.852 -5.649 -21.932 1.00 0.00 H new ATOM 0 HG23 ILE B 77 -1.881 -5.991 -23.679 1.00 0.00 H new ATOM 0 HD11 ILE B 77 0.001 -9.557 -24.395 1.00 0.00 H new ATOM 0 HD12 ILE B 77 -0.193 -9.305 -22.644 1.00 0.00 H new ATOM 0 HD13 ILE B 77 -1.425 -8.693 -23.772 1.00 0.00 H new ATOM 906 N PHE B 78 0.640 -4.298 -20.711 1.00 0.00 N ATOM 907 CA PHE B 78 0.264 -3.391 -19.633 1.00 0.00 C ATOM 908 C PHE B 78 0.542 -1.941 -20.020 1.00 0.00 C ATOM 909 O PHE B 78 -0.305 -1.067 -19.843 1.00 0.00 O ATOM 910 CB PHE B 78 1.024 -3.743 -18.352 1.00 0.00 C ATOM 911 CG PHE B 78 0.898 -2.704 -17.275 1.00 0.00 C ATOM 912 CD1 PHE B 78 1.805 -1.660 -17.193 1.00 0.00 C ATOM 913 CD2 PHE B 78 -0.127 -2.770 -16.346 1.00 0.00 C ATOM 914 CE1 PHE B 78 1.692 -0.702 -16.203 1.00 0.00 C ATOM 915 CE2 PHE B 78 -0.246 -1.816 -15.354 1.00 0.00 C ATOM 916 CZ PHE B 78 0.665 -0.780 -15.283 1.00 0.00 C ATOM 0 H PHE B 78 1.289 -5.035 -20.435 1.00 0.00 H new ATOM 0 HA PHE B 78 -0.806 -3.503 -19.455 1.00 0.00 H new ATOM 0 HB2 PHE B 78 0.656 -4.696 -17.971 1.00 0.00 H new ATOM 0 HB3 PHE B 78 2.078 -3.881 -18.591 1.00 0.00 H new ATOM 0 HD1 PHE B 78 2.609 -1.594 -17.911 1.00 0.00 H new ATOM 0 HD2 PHE B 78 -0.842 -3.577 -16.398 1.00 0.00 H new ATOM 0 HE1 PHE B 78 2.406 0.107 -16.149 1.00 0.00 H new ATOM 0 HE2 PHE B 78 -1.050 -1.880 -14.635 1.00 0.00 H new ATOM 0 HZ PHE B 78 0.574 -0.032 -14.509 1.00 0.00 H new ATOM 926 N GLY B 79 1.736 -1.695 -20.549 1.00 0.00 N ATOM 927 CA GLY B 79 2.106 -0.350 -20.952 1.00 0.00 C ATOM 928 C GLY B 79 1.136 0.241 -21.956 1.00 0.00 C ATOM 929 O GLY B 79 0.577 1.314 -21.733 1.00 0.00 O ATOM 0 H GLY B 79 2.454 -2.402 -20.706 1.00 0.00 H new ATOM 0 HA2 GLY B 79 2.149 0.291 -20.072 1.00 0.00 H new ATOM 0 HA3 GLY B 79 3.107 -0.366 -21.384 1.00 0.00 H new ATOM 933 N VAL B 80 0.938 -0.460 -23.068 1.00 0.00 N ATOM 934 CA VAL B 80 0.030 0.002 -24.112 1.00 0.00 C ATOM 935 C VAL B 80 -1.392 0.140 -23.580 1.00 0.00 C ATOM 936 O VAL B 80 -2.140 1.022 -24.001 1.00 0.00 O ATOM 937 CB VAL B 80 0.026 -0.957 -25.317 1.00 0.00 C ATOM 938 CG1 VAL B 80 -0.893 -0.435 -26.411 1.00 0.00 C ATOM 939 CG2 VAL B 80 1.438 -1.155 -25.845 1.00 0.00 C ATOM 0 H VAL B 80 1.394 -1.350 -23.269 1.00 0.00 H new ATOM 0 HA VAL B 80 0.390 0.978 -24.437 1.00 0.00 H new ATOM 0 HB VAL B 80 -0.353 -1.925 -24.988 1.00 0.00 H new ATOM 0 HG11 VAL B 80 -0.883 -1.125 -27.254 1.00 0.00 H new ATOM 0 HG12 VAL B 80 -1.908 -0.350 -26.023 1.00 0.00 H new ATOM 0 HG13 VAL B 80 -0.547 0.545 -26.740 1.00 0.00 H new ATOM 0 HG21 VAL B 80 1.416 -1.835 -26.696 1.00 0.00 H new ATOM 0 HG22 VAL B 80 1.847 -0.195 -26.159 1.00 0.00 H new ATOM 0 HG23 VAL B 80 2.064 -1.577 -25.059 1.00 0.00 H new ATOM 949 N MET B 81 -1.760 -0.739 -22.653 1.00 0.00 N ATOM 950 CA MET B 81 -3.093 -0.713 -22.063 1.00 0.00 C ATOM 951 C MET B 81 -3.303 0.560 -21.249 1.00 0.00 C ATOM 952 O MET B 81 -4.346 1.206 -21.349 1.00 0.00 O ATOM 953 CB MET B 81 -3.304 -1.941 -21.175 1.00 0.00 C ATOM 954 CG MET B 81 -3.586 -3.215 -21.955 1.00 0.00 C ATOM 955 SD MET B 81 -5.337 -3.426 -22.331 1.00 0.00 S ATOM 956 CE MET B 81 -5.348 -3.088 -24.090 1.00 0.00 C ATOM 0 H MET B 81 -1.154 -1.477 -22.295 1.00 0.00 H new ATOM 0 HA MET B 81 -3.822 -0.729 -22.873 1.00 0.00 H new ATOM 0 HB2 MET B 81 -2.417 -2.091 -20.560 1.00 0.00 H new ATOM 0 HB3 MET B 81 -4.135 -1.749 -20.496 1.00 0.00 H new ATOM 0 HG2 MET B 81 -3.018 -3.200 -22.885 1.00 0.00 H new ATOM 0 HG3 MET B 81 -3.236 -4.073 -21.381 1.00 0.00 H new ATOM 0 HE1 MET B 81 -6.333 -2.726 -24.385 1.00 0.00 H new ATOM 0 HE2 MET B 81 -4.599 -2.330 -24.320 1.00 0.00 H new ATOM 0 HE3 MET B 81 -5.119 -4.002 -24.638 1.00 0.00 H new ATOM 966 N ALA B 82 -2.307 0.914 -20.444 1.00 0.00 N ATOM 967 CA ALA B 82 -2.382 2.110 -19.615 1.00 0.00 C ATOM 968 C ALA B 82 -2.412 3.371 -20.473 1.00 0.00 C ATOM 969 O ALA B 82 -3.206 4.279 -20.231 1.00 0.00 O ATOM 970 CB ALA B 82 -1.210 2.156 -18.646 1.00 0.00 C ATOM 0 H ALA B 82 -1.438 0.389 -20.348 1.00 0.00 H new ATOM 0 HA ALA B 82 -3.309 2.068 -19.043 1.00 0.00 H new ATOM 0 HB1 ALA B 82 -1.279 3.055 -18.033 1.00 0.00 H new ATOM 0 HB2 ALA B 82 -1.235 1.276 -18.003 1.00 0.00 H new ATOM 0 HB3 ALA B 82 -0.275 2.170 -19.206 1.00 0.00 H new ATOM 976 N GLY B 83 -1.540 3.420 -21.475 1.00 0.00 N ATOM 977 CA GLY B 83 -1.482 4.575 -22.352 1.00 0.00 C ATOM 978 C GLY B 83 -2.755 4.758 -23.154 1.00 0.00 C ATOM 979 O GLY B 83 -3.354 5.834 -23.145 1.00 0.00 O ATOM 0 H GLY B 83 -0.873 2.681 -21.695 1.00 0.00 H new ATOM 0 HA2 GLY B 83 -1.299 5.470 -21.757 1.00 0.00 H new ATOM 0 HA3 GLY B 83 -0.639 4.467 -23.034 1.00 0.00 H new ATOM 983 N VAL B 84 -3.170 3.705 -23.852 1.00 0.00 N ATOM 984 CA VAL B 84 -4.380 3.755 -24.663 1.00 0.00 C ATOM 985 C VAL B 84 -5.574 4.227 -23.842 1.00 0.00 C ATOM 986 O VAL B 84 -6.194 5.243 -24.157 1.00 0.00 O ATOM 987 CB VAL B 84 -4.703 2.378 -25.274 1.00 0.00 C ATOM 988 CG1 VAL B 84 -6.072 2.395 -25.936 1.00 0.00 C ATOM 989 CG2 VAL B 84 -3.626 1.971 -26.268 1.00 0.00 C ATOM 0 H VAL B 84 -2.686 2.807 -23.872 1.00 0.00 H new ATOM 0 HA VAL B 84 -4.192 4.467 -25.467 1.00 0.00 H new ATOM 0 HB VAL B 84 -4.723 1.640 -24.472 1.00 0.00 H new ATOM 0 HG11 VAL B 84 -6.282 1.414 -26.362 1.00 0.00 H new ATOM 0 HG12 VAL B 84 -6.832 2.639 -25.194 1.00 0.00 H new ATOM 0 HG13 VAL B 84 -6.084 3.144 -26.728 1.00 0.00 H new ATOM 0 HG21 VAL B 84 -3.870 0.996 -26.690 1.00 0.00 H new ATOM 0 HG22 VAL B 84 -3.572 2.709 -27.068 1.00 0.00 H new ATOM 0 HG23 VAL B 84 -2.664 1.916 -25.759 1.00 0.00 H new ATOM 999 N ILE B 85 -5.891 3.483 -22.787 1.00 0.00 N ATOM 1000 CA ILE B 85 -7.010 3.827 -21.919 1.00 0.00 C ATOM 1001 C ILE B 85 -6.874 5.249 -21.384 1.00 0.00 C ATOM 1002 O ILE B 85 -7.858 5.981 -21.281 1.00 0.00 O ATOM 1003 CB ILE B 85 -7.121 2.853 -20.731 1.00 0.00 C ATOM 1004 CG1 ILE B 85 -7.906 1.604 -21.140 1.00 0.00 C ATOM 1005 CG2 ILE B 85 -7.784 3.537 -19.545 1.00 0.00 C ATOM 1006 CD1 ILE B 85 -7.095 0.620 -21.954 1.00 0.00 C ATOM 0 H ILE B 85 -5.389 2.639 -22.513 1.00 0.00 H new ATOM 0 HA ILE B 85 -7.913 3.754 -22.525 1.00 0.00 H new ATOM 0 HB ILE B 85 -6.117 2.548 -20.435 1.00 0.00 H new ATOM 0 HG12 ILE B 85 -8.273 1.105 -20.243 1.00 0.00 H new ATOM 0 HG13 ILE B 85 -8.780 1.907 -21.717 1.00 0.00 H new ATOM 0 HG21 ILE B 85 -7.855 2.836 -18.714 1.00 0.00 H new ATOM 0 HG22 ILE B 85 -7.189 4.399 -19.243 1.00 0.00 H new ATOM 0 HG23 ILE B 85 -8.784 3.867 -19.828 1.00 0.00 H new ATOM 0 HD11 ILE B 85 -7.715 -0.240 -22.208 1.00 0.00 H new ATOM 0 HD12 ILE B 85 -6.750 1.102 -22.869 1.00 0.00 H new ATOM 0 HD13 ILE B 85 -6.235 0.288 -21.372 1.00 0.00 H new ATOM 1018 N GLY B 86 -5.647 5.634 -21.047 1.00 0.00 N ATOM 1019 CA GLY B 86 -5.405 6.968 -20.529 1.00 0.00 C ATOM 1020 C GLY B 86 -5.815 8.052 -21.505 1.00 0.00 C ATOM 1021 O GLY B 86 -6.559 8.968 -21.151 1.00 0.00 O ATOM 0 H GLY B 86 -4.817 5.046 -21.123 1.00 0.00 H new ATOM 0 HA2 GLY B 86 -5.954 7.097 -19.596 1.00 0.00 H new ATOM 0 HA3 GLY B 86 -4.346 7.077 -20.294 1.00 0.00 H new ATOM 1025 N THR B 87 -5.328 7.952 -22.738 1.00 0.00 N ATOM 1026 CA THR B 87 -5.646 8.934 -23.767 1.00 0.00 C ATOM 1027 C THR B 87 -7.151 9.036 -23.983 1.00 0.00 C ATOM 1028 O THR B 87 -7.700 10.134 -24.088 1.00 0.00 O ATOM 1029 CB THR B 87 -4.969 8.583 -25.106 1.00 0.00 C ATOM 1030 OG1 THR B 87 -3.626 8.144 -24.876 1.00 0.00 O ATOM 1031 CG2 THR B 87 -4.962 9.784 -26.039 1.00 0.00 C ATOM 0 H THR B 87 -4.712 7.201 -23.048 1.00 0.00 H new ATOM 0 HA THR B 87 -5.266 9.894 -23.417 1.00 0.00 H new ATOM 0 HB THR B 87 -5.537 7.780 -25.576 1.00 0.00 H new ATOM 0 HG1 THR B 87 -3.165 8.789 -24.300 1.00 0.00 H new ATOM 0 HG21 THR B 87 -4.479 9.513 -26.978 1.00 0.00 H new ATOM 0 HG22 THR B 87 -5.987 10.098 -26.236 1.00 0.00 H new ATOM 0 HG23 THR B 87 -4.415 10.603 -25.573 1.00 0.00 H new ATOM 1039 N ILE B 88 -7.815 7.886 -24.048 1.00 0.00 N ATOM 1040 CA ILE B 88 -9.258 7.848 -24.249 1.00 0.00 C ATOM 1041 C ILE B 88 -9.981 8.689 -23.204 1.00 0.00 C ATOM 1042 O ILE B 88 -10.804 9.543 -23.538 1.00 0.00 O ATOM 1043 CB ILE B 88 -9.795 6.406 -24.193 1.00 0.00 C ATOM 1044 CG1 ILE B 88 -9.213 5.576 -25.340 1.00 0.00 C ATOM 1045 CG2 ILE B 88 -11.316 6.405 -24.251 1.00 0.00 C ATOM 1046 CD1 ILE B 88 -9.665 6.035 -26.708 1.00 0.00 C ATOM 0 H ILE B 88 -7.376 6.969 -23.964 1.00 0.00 H new ATOM 0 HA ILE B 88 -9.450 8.261 -25.239 1.00 0.00 H new ATOM 0 HB ILE B 88 -9.486 5.955 -23.250 1.00 0.00 H new ATOM 0 HG12 ILE B 88 -8.125 5.619 -25.293 1.00 0.00 H new ATOM 0 HG13 ILE B 88 -9.497 4.533 -25.203 1.00 0.00 H new ATOM 0 HG21 ILE B 88 -11.681 5.379 -24.211 1.00 0.00 H new ATOM 0 HG22 ILE B 88 -11.713 6.965 -23.404 1.00 0.00 H new ATOM 0 HG23 ILE B 88 -11.645 6.871 -25.180 1.00 0.00 H new ATOM 0 HD11 ILE B 88 -9.214 5.402 -27.472 1.00 0.00 H new ATOM 0 HD12 ILE B 88 -10.751 5.966 -26.775 1.00 0.00 H new ATOM 0 HD13 ILE B 88 -9.357 7.069 -26.865 1.00 0.00 H new ATOM 1058 N LEU B 89 -9.669 8.444 -21.936 1.00 0.00 N ATOM 1059 CA LEU B 89 -10.288 9.181 -20.839 1.00 0.00 C ATOM 1060 C LEU B 89 -10.077 10.683 -21.004 1.00 0.00 C ATOM 1061 O LEU B 89 -11.030 11.462 -20.972 1.00 0.00 O ATOM 1062 CB LEU B 89 -9.714 8.718 -19.499 1.00 0.00 C ATOM 1063 CG LEU B 89 -10.211 7.365 -18.988 1.00 0.00 C ATOM 1064 CD1 LEU B 89 -9.153 6.701 -18.120 1.00 0.00 C ATOM 1065 CD2 LEU B 89 -11.510 7.532 -18.214 1.00 0.00 C ATOM 0 H LEU B 89 -8.991 7.741 -21.642 1.00 0.00 H new ATOM 0 HA LEU B 89 -11.359 8.979 -20.858 1.00 0.00 H new ATOM 0 HB2 LEU B 89 -8.628 8.674 -19.587 1.00 0.00 H new ATOM 0 HB3 LEU B 89 -9.943 9.474 -18.748 1.00 0.00 H new ATOM 0 HG LEU B 89 -10.403 6.722 -19.847 1.00 0.00 H new ATOM 0 HD11 LEU B 89 -9.524 5.739 -17.765 1.00 0.00 H new ATOM 0 HD12 LEU B 89 -8.247 6.546 -18.705 1.00 0.00 H new ATOM 0 HD13 LEU B 89 -8.929 7.341 -17.266 1.00 0.00 H new ATOM 0 HD21 LEU B 89 -11.849 6.559 -17.858 1.00 0.00 H new ATOM 0 HD22 LEU B 89 -11.344 8.192 -17.363 1.00 0.00 H new ATOM 0 HD23 LEU B 89 -12.269 7.964 -18.866 1.00 0.00 H new ATOM 1077 N LEU B 90 -8.823 11.082 -21.184 1.00 0.00 N ATOM 1078 CA LEU B 90 -8.485 12.491 -21.357 1.00 0.00 C ATOM 1079 C LEU B 90 -9.233 13.088 -22.544 1.00 0.00 C ATOM 1080 O LEU B 90 -9.886 14.125 -22.421 1.00 0.00 O ATOM 1081 CB LEU B 90 -6.977 12.654 -21.555 1.00 0.00 C ATOM 1082 CG LEU B 90 -6.104 12.358 -20.335 1.00 0.00 C ATOM 1083 CD1 LEU B 90 -4.736 11.855 -20.767 1.00 0.00 C ATOM 1084 CD2 LEU B 90 -5.968 13.598 -19.463 1.00 0.00 C ATOM 0 H LEU B 90 -8.023 10.450 -21.214 1.00 0.00 H new ATOM 0 HA LEU B 90 -8.786 13.025 -20.456 1.00 0.00 H new ATOM 0 HB2 LEU B 90 -6.665 11.999 -22.368 1.00 0.00 H new ATOM 0 HB3 LEU B 90 -6.782 13.677 -21.877 1.00 0.00 H new ATOM 0 HG LEU B 90 -6.586 11.577 -19.748 1.00 0.00 H new ATOM 0 HD11 LEU B 90 -4.129 11.650 -19.885 1.00 0.00 H new ATOM 0 HD12 LEU B 90 -4.852 10.941 -21.349 1.00 0.00 H new ATOM 0 HD13 LEU B 90 -4.245 12.614 -21.377 1.00 0.00 H new ATOM 0 HD21 LEU B 90 -5.344 13.369 -18.599 1.00 0.00 H new ATOM 0 HD22 LEU B 90 -5.509 14.400 -20.040 1.00 0.00 H new ATOM 0 HD23 LEU B 90 -6.954 13.914 -19.124 1.00 0.00 H new ATOM 1096 N ILE B 91 -9.136 12.425 -23.692 1.00 0.00 N ATOM 1097 CA ILE B 91 -9.806 12.889 -24.900 1.00 0.00 C ATOM 1098 C ILE B 91 -11.305 13.054 -24.669 1.00 0.00 C ATOM 1099 O ILE B 91 -11.887 14.081 -25.017 1.00 0.00 O ATOM 1100 CB ILE B 91 -9.584 11.919 -26.075 1.00 0.00 C ATOM 1101 CG1 ILE B 91 -8.391 12.372 -26.920 1.00 0.00 C ATOM 1102 CG2 ILE B 91 -10.839 11.824 -26.929 1.00 0.00 C ATOM 1103 CD1 ILE B 91 -7.120 12.557 -26.122 1.00 0.00 C ATOM 0 H ILE B 91 -8.600 11.565 -23.810 1.00 0.00 H new ATOM 0 HA ILE B 91 -9.370 13.856 -25.150 1.00 0.00 H new ATOM 0 HB ILE B 91 -9.366 10.929 -25.673 1.00 0.00 H new ATOM 0 HG12 ILE B 91 -8.213 11.638 -27.706 1.00 0.00 H new ATOM 0 HG13 ILE B 91 -8.641 13.312 -27.412 1.00 0.00 H new ATOM 0 HG21 ILE B 91 -10.666 11.135 -27.755 1.00 0.00 H new ATOM 0 HG22 ILE B 91 -11.667 11.460 -26.320 1.00 0.00 H new ATOM 0 HG23 ILE B 91 -11.085 12.809 -27.324 1.00 0.00 H new ATOM 0 HD11 ILE B 91 -6.317 12.878 -26.786 1.00 0.00 H new ATOM 0 HD12 ILE B 91 -7.280 13.313 -25.353 1.00 0.00 H new ATOM 0 HD13 ILE B 91 -6.845 11.613 -25.651 1.00 0.00 H new ATOM 1115 N SER B 92 -11.922 12.037 -24.077 1.00 0.00 N ATOM 1116 CA SER B 92 -13.353 12.068 -23.800 1.00 0.00 C ATOM 1117 C SER B 92 -13.722 13.301 -22.982 1.00 0.00 C ATOM 1118 O SER B 92 -14.837 13.815 -23.079 1.00 0.00 O ATOM 1119 CB SER B 92 -13.778 10.801 -23.054 1.00 0.00 C ATOM 1120 OG SER B 92 -14.913 11.044 -22.242 1.00 0.00 O ATOM 0 H SER B 92 -11.453 11.181 -23.780 1.00 0.00 H new ATOM 0 HA SER B 92 -13.881 12.114 -24.753 1.00 0.00 H new ATOM 0 HB2 SER B 92 -14.002 10.011 -23.771 1.00 0.00 H new ATOM 0 HB3 SER B 92 -12.954 10.446 -22.436 1.00 0.00 H new ATOM 0 HG SER B 92 -15.165 10.219 -21.777 1.00 0.00 H new ATOM 1126 N TYR B 93 -12.777 13.772 -22.175 1.00 0.00 N ATOM 1127 CA TYR B 93 -13.002 14.943 -21.337 1.00 0.00 C ATOM 1128 C TYR B 93 -13.030 16.217 -22.177 1.00 0.00 C ATOM 1129 O TYR B 93 -13.800 17.137 -21.904 1.00 0.00 O ATOM 1130 CB TYR B 93 -11.912 15.048 -20.268 1.00 0.00 C ATOM 1131 CG TYR B 93 -12.235 16.035 -19.169 1.00 0.00 C ATOM 1132 CD1 TYR B 93 -11.950 17.387 -19.316 1.00 0.00 C ATOM 1133 CD2 TYR B 93 -12.825 15.615 -17.983 1.00 0.00 C ATOM 1134 CE1 TYR B 93 -12.242 18.292 -18.314 1.00 0.00 C ATOM 1135 CE2 TYR B 93 -13.123 16.513 -16.976 1.00 0.00 C ATOM 1136 CZ TYR B 93 -12.830 17.850 -17.146 1.00 0.00 C ATOM 1137 OH TYR B 93 -13.123 18.748 -16.146 1.00 0.00 O ATOM 0 H TYR B 93 -11.848 13.360 -22.084 1.00 0.00 H new ATOM 0 HA TYR B 93 -13.970 14.829 -20.850 1.00 0.00 H new ATOM 0 HB2 TYR B 93 -11.752 14.064 -19.826 1.00 0.00 H new ATOM 0 HB3 TYR B 93 -10.976 15.340 -20.743 1.00 0.00 H new ATOM 0 HD1 TYR B 93 -11.492 17.736 -20.230 1.00 0.00 H new ATOM 0 HD2 TYR B 93 -13.055 14.569 -17.846 1.00 0.00 H new ATOM 0 HE1 TYR B 93 -12.012 19.339 -18.444 1.00 0.00 H new ATOM 0 HE2 TYR B 93 -13.583 16.170 -16.061 1.00 0.00 H new ATOM 0 HH TYR B 93 -13.534 18.276 -15.392 1.00 0.00 H new ATOM 1147 N GLY B 94 -12.184 16.261 -23.201 1.00 0.00 N ATOM 1148 CA GLY B 94 -12.128 17.425 -24.067 1.00 0.00 C ATOM 1149 C GLY B 94 -13.414 17.635 -24.840 1.00 0.00 C ATOM 1150 O GLY B 94 -13.848 18.770 -25.038 1.00 0.00 O ATOM 0 H GLY B 94 -11.537 15.512 -23.447 1.00 0.00 H new ATOM 0 HA2 GLY B 94 -11.920 18.311 -23.467 1.00 0.00 H new ATOM 0 HA3 GLY B 94 -11.301 17.313 -24.768 1.00 0.00 H new ATOM 1154 N ILE B 95 -14.024 16.540 -25.280 1.00 0.00 N ATOM 1155 CA ILE B 95 -15.268 16.610 -26.036 1.00 0.00 C ATOM 1156 C ILE B 95 -16.403 17.160 -25.178 1.00 0.00 C ATOM 1157 O ILE B 95 -17.289 17.855 -25.675 1.00 0.00 O ATOM 1158 CB ILE B 95 -15.675 15.228 -26.581 1.00 0.00 C ATOM 1159 CG1 ILE B 95 -14.576 14.670 -27.487 1.00 0.00 C ATOM 1160 CG2 ILE B 95 -16.993 15.323 -27.334 1.00 0.00 C ATOM 1161 CD1 ILE B 95 -14.716 13.190 -27.766 1.00 0.00 C ATOM 0 H ILE B 95 -13.677 15.593 -25.126 1.00 0.00 H new ATOM 0 HA ILE B 95 -15.090 17.284 -26.874 1.00 0.00 H new ATOM 0 HB ILE B 95 -15.808 14.547 -25.741 1.00 0.00 H new ATOM 0 HG12 ILE B 95 -14.586 15.212 -28.433 1.00 0.00 H new ATOM 0 HG13 ILE B 95 -13.607 14.854 -27.024 1.00 0.00 H new ATOM 0 HG21 ILE B 95 -17.267 14.339 -27.713 1.00 0.00 H new ATOM 0 HG22 ILE B 95 -17.771 15.683 -26.661 1.00 0.00 H new ATOM 0 HG23 ILE B 95 -16.886 16.016 -28.168 1.00 0.00 H new ATOM 0 HD11 ILE B 95 -13.903 12.863 -28.414 1.00 0.00 H new ATOM 0 HD12 ILE B 95 -14.676 12.637 -26.827 1.00 0.00 H new ATOM 0 HD13 ILE B 95 -15.670 13.001 -28.258 1.00 0.00 H new ATOM 1173 N ARG B 96 -16.367 16.846 -23.888 1.00 0.00 N ATOM 1174 CA ARG B 96 -17.392 17.309 -22.960 1.00 0.00 C ATOM 1175 C ARG B 96 -17.207 18.789 -22.639 1.00 0.00 C ATOM 1176 O ARG B 96 -18.172 19.499 -22.357 1.00 0.00 O ATOM 1177 CB ARG B 96 -17.352 16.487 -21.670 1.00 0.00 C ATOM 1178 CG ARG B 96 -18.380 15.368 -21.629 1.00 0.00 C ATOM 1179 CD ARG B 96 -18.554 14.824 -20.219 1.00 0.00 C ATOM 1180 NE ARG B 96 -19.702 13.927 -20.117 1.00 0.00 N ATOM 1181 CZ ARG B 96 -20.038 13.287 -19.002 1.00 0.00 C ATOM 1182 NH1 ARG B 96 -19.318 13.446 -17.900 1.00 0.00 N ATOM 1183 NH2 ARG B 96 -21.096 12.487 -18.988 1.00 0.00 N ATOM 0 H ARG B 96 -15.639 16.273 -23.461 1.00 0.00 H new ATOM 0 HA ARG B 96 -18.363 17.177 -23.436 1.00 0.00 H new ATOM 0 HB2 ARG B 96 -16.356 16.059 -21.553 1.00 0.00 H new ATOM 0 HB3 ARG B 96 -17.516 17.151 -20.821 1.00 0.00 H new ATOM 0 HG2 ARG B 96 -19.337 15.737 -21.999 1.00 0.00 H new ATOM 0 HG3 ARG B 96 -18.070 14.563 -22.295 1.00 0.00 H new ATOM 0 HD2 ARG B 96 -17.650 14.292 -19.922 1.00 0.00 H new ATOM 0 HD3 ARG B 96 -18.679 15.654 -19.523 1.00 0.00 H new ATOM 0 HE ARG B 96 -20.277 13.784 -20.947 1.00 0.00 H new ATOM 0 HH11 ARG B 96 -18.504 14.061 -17.907 1.00 0.00 H new ATOM 0 HH12 ARG B 96 -19.578 12.954 -17.045 1.00 0.00 H new ATOM 0 HH21 ARG B 96 -21.653 12.363 -19.834 1.00 0.00 H new ATOM 0 HH22 ARG B 96 -21.353 11.996 -18.132 1.00 0.00 H new ATOM 1197 N ARG B 97 -15.960 19.246 -22.683 1.00 0.00 N ATOM 1198 CA ARG B 97 -15.647 20.641 -22.395 1.00 0.00 C ATOM 1199 C ARG B 97 -16.014 20.995 -20.957 1.00 0.00 C ATOM 1200 O ARG B 97 -16.322 22.147 -20.649 1.00 0.00 O ATOM 1201 CB ARG B 97 -16.390 21.563 -23.364 1.00 0.00 C ATOM 1202 CG ARG B 97 -15.669 22.874 -23.631 1.00 0.00 C ATOM 1203 CD ARG B 97 -14.569 22.704 -24.667 1.00 0.00 C ATOM 1204 NE ARG B 97 -15.100 22.315 -25.970 1.00 0.00 N ATOM 1205 CZ ARG B 97 -15.667 23.167 -26.817 1.00 0.00 C ATOM 1206 NH1 ARG B 97 -15.776 24.449 -26.499 1.00 0.00 N ATOM 1207 NH2 ARG B 97 -16.127 22.736 -27.985 1.00 0.00 N ATOM 0 H ARG B 97 -15.150 18.671 -22.915 1.00 0.00 H new ATOM 0 HA ARG B 97 -14.573 20.780 -22.522 1.00 0.00 H new ATOM 0 HB2 ARG B 97 -16.537 21.040 -24.309 1.00 0.00 H new ATOM 0 HB3 ARG B 97 -17.380 21.778 -22.961 1.00 0.00 H new ATOM 0 HG2 ARG B 97 -16.384 23.620 -23.977 1.00 0.00 H new ATOM 0 HG3 ARG B 97 -15.240 23.251 -22.702 1.00 0.00 H new ATOM 0 HD2 ARG B 97 -14.016 23.638 -24.765 1.00 0.00 H new ATOM 0 HD3 ARG B 97 -13.861 21.949 -24.324 1.00 0.00 H new ATOM 0 HE ARG B 97 -15.032 21.335 -26.245 1.00 0.00 H new ATOM 0 HH11 ARG B 97 -15.424 24.784 -25.602 1.00 0.00 H new ATOM 0 HH12 ARG B 97 -16.212 25.101 -27.151 1.00 0.00 H new ATOM 0 HH21 ARG B 97 -16.045 21.750 -28.233 1.00 0.00 H new ATOM 0 HH22 ARG B 97 -16.562 23.391 -28.635 1.00 0.00 H new ATOM 1221 N LEU B 98 -15.979 19.997 -20.081 1.00 0.00 N ATOM 1222 CA LEU B 98 -16.308 20.202 -18.674 1.00 0.00 C ATOM 1223 C LEU B 98 -15.143 20.847 -17.931 1.00 0.00 C ATOM 1224 O LEU B 98 -15.318 21.841 -17.225 1.00 0.00 O ATOM 1225 CB LEU B 98 -16.672 18.870 -18.016 1.00 0.00 C ATOM 1226 CG LEU B 98 -18.158 18.649 -17.727 1.00 0.00 C ATOM 1227 CD1 LEU B 98 -18.382 17.279 -17.105 1.00 0.00 C ATOM 1228 CD2 LEU B 98 -18.693 19.744 -16.817 1.00 0.00 C ATOM 0 H LEU B 98 -15.726 19.038 -20.320 1.00 0.00 H new ATOM 0 HA LEU B 98 -17.165 20.873 -18.621 1.00 0.00 H new ATOM 0 HB2 LEU B 98 -16.323 18.062 -18.659 1.00 0.00 H new ATOM 0 HB3 LEU B 98 -16.124 18.789 -17.077 1.00 0.00 H new ATOM 0 HG LEU B 98 -18.702 18.691 -18.670 1.00 0.00 H new ATOM 0 HD11 LEU B 98 -19.445 17.139 -16.906 1.00 0.00 H new ATOM 0 HD12 LEU B 98 -18.037 16.507 -17.792 1.00 0.00 H new ATOM 0 HD13 LEU B 98 -17.826 17.208 -16.170 1.00 0.00 H new ATOM 0 HD21 LEU B 98 -19.751 19.570 -16.622 1.00 0.00 H new ATOM 0 HD22 LEU B 98 -18.144 19.735 -15.875 1.00 0.00 H new ATOM 0 HD23 LEU B 98 -18.567 20.713 -17.301 1.00 0.00 H new TER 1240 LEU B 98