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=-0.34) USER MOD Single : A 66 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 67 HIS : no HD1:sc= -0.35 X(o=-0.35,f=-0.0087) USER MOD Single : A 69 SER OG : rot 180:sc= 0.0777 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 MET CE :methyl -120:sc= -0.859 (180deg=-2.85!) USER MOD Single : A 87 THR OG1 : rot -38:sc= -1.47 USER MOD Single : A 92 SER OG : rot -49:sc= 1.22 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : B 63 GLN : amide:sc= 1.02 K(o=1,f=-8!) USER MOD Single : B 66 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD Single : B 67 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 69 SER OG : rot 180:sc= 0 USER MOD Single : B 74 THR OG1 : rot -110:sc= -0.244 USER MOD Single : B 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 87 THR OG1 : rot -30:sc= -1.05 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 6.653 -18.411 -22.096 1.00 0.00 N ATOM 2 CA ARG A 61 5.224 -18.167 -21.943 1.00 0.00 C ATOM 3 C ARG A 61 4.663 -18.951 -20.761 1.00 0.00 C ATOM 4 O ARG A 61 3.518 -19.402 -20.789 1.00 0.00 O ATOM 5 CB ARG A 61 4.480 -18.551 -23.223 1.00 0.00 C ATOM 6 CG ARG A 61 4.711 -19.990 -23.654 1.00 0.00 C ATOM 7 CD ARG A 61 4.687 -20.129 -25.168 1.00 0.00 C ATOM 8 NE ARG A 61 5.944 -19.701 -25.776 1.00 0.00 N ATOM 9 CZ ARG A 61 7.041 -20.450 -25.803 1.00 0.00 C ATOM 10 NH1 ARG A 61 7.035 -21.659 -25.258 1.00 0.00 N ATOM 11 NH2 ARG A 61 8.146 -19.990 -26.375 1.00 0.00 N ATOM 0 HA ARG A 61 5.080 -17.103 -21.753 1.00 0.00 H new ATOM 0 HB2 ARG A 61 3.412 -18.392 -23.074 1.00 0.00 H new ATOM 0 HB3 ARG A 61 4.792 -17.885 -24.028 1.00 0.00 H new ATOM 0 HG2 ARG A 61 5.671 -20.336 -23.271 1.00 0.00 H new ATOM 0 HG3 ARG A 61 3.944 -20.629 -23.217 1.00 0.00 H new ATOM 0 HD2 ARG A 61 4.491 -21.168 -25.434 1.00 0.00 H new ATOM 0 HD3 ARG A 61 3.867 -19.536 -25.574 1.00 0.00 H new ATOM 0 HE ARG A 61 5.982 -18.776 -26.204 1.00 0.00 H new ATOM 0 HH11 ARG A 61 6.187 -22.015 -24.817 1.00 0.00 H new ATOM 0 HH12 ARG A 61 7.878 -22.232 -25.280 1.00 0.00 H new ATOM 0 HH21 ARG A 61 8.154 -19.060 -26.795 1.00 0.00 H new ATOM 0 HH22 ARG A 61 8.988 -20.566 -26.395 1.00 0.00 H new ATOM 25 N VAL A 62 5.477 -19.109 -19.722 1.00 0.00 N ATOM 26 CA VAL A 62 5.062 -19.838 -18.529 1.00 0.00 C ATOM 27 C VAL A 62 5.187 -18.969 -17.283 1.00 0.00 C ATOM 28 O VAL A 62 6.222 -18.970 -16.616 1.00 0.00 O ATOM 29 CB VAL A 62 5.896 -21.118 -18.335 1.00 0.00 C ATOM 30 CG1 VAL A 62 5.359 -21.933 -17.168 1.00 0.00 C ATOM 31 CG2 VAL A 62 5.908 -21.944 -19.612 1.00 0.00 C ATOM 0 H VAL A 62 6.428 -18.742 -19.682 1.00 0.00 H new ATOM 0 HA VAL A 62 4.017 -20.113 -18.673 1.00 0.00 H new ATOM 0 HB VAL A 62 6.922 -20.831 -18.105 1.00 0.00 H new ATOM 0 HG11 VAL A 62 5.961 -22.834 -17.046 1.00 0.00 H new ATOM 0 HG12 VAL A 62 5.407 -21.338 -16.256 1.00 0.00 H new ATOM 0 HG13 VAL A 62 4.324 -22.212 -17.365 1.00 0.00 H new ATOM 0 HG21 VAL A 62 6.502 -22.845 -19.457 1.00 0.00 H new ATOM 0 HG22 VAL A 62 4.888 -22.223 -19.875 1.00 0.00 H new ATOM 0 HG23 VAL A 62 6.343 -21.357 -20.421 1.00 0.00 H new ATOM 41 N GLN A 63 4.127 -18.229 -16.975 1.00 0.00 N ATOM 42 CA GLN A 63 4.119 -17.354 -15.808 1.00 0.00 C ATOM 43 C GLN A 63 5.182 -16.267 -15.935 1.00 0.00 C ATOM 44 O GLN A 63 6.229 -16.477 -16.549 1.00 0.00 O ATOM 45 CB GLN A 63 4.354 -18.168 -14.534 1.00 0.00 C ATOM 46 CG GLN A 63 4.708 -17.316 -13.325 1.00 0.00 C ATOM 47 CD GLN A 63 4.858 -18.135 -12.058 1.00 0.00 C ATOM 48 OE1 GLN A 63 4.066 -19.039 -11.792 1.00 0.00 O ATOM 49 NE2 GLN A 63 5.879 -17.822 -11.268 1.00 0.00 N ATOM 0 H GLN A 63 3.263 -18.218 -17.517 1.00 0.00 H new ATOM 0 HA GLN A 63 3.142 -16.875 -15.750 1.00 0.00 H new ATOM 0 HB2 GLN A 63 3.457 -18.746 -14.311 1.00 0.00 H new ATOM 0 HB3 GLN A 63 5.157 -18.883 -14.712 1.00 0.00 H new ATOM 0 HG2 GLN A 63 5.638 -16.783 -13.521 1.00 0.00 H new ATOM 0 HG3 GLN A 63 3.934 -16.563 -13.177 1.00 0.00 H new ATOM 0 HE21 GLN A 63 6.511 -17.065 -11.528 1.00 0.00 H new ATOM 0 HE22 GLN A 63 6.031 -18.339 -10.402 1.00 0.00 H new ATOM 58 N LEU A 64 4.905 -15.107 -15.351 1.00 0.00 N ATOM 59 CA LEU A 64 5.838 -13.985 -15.399 1.00 0.00 C ATOM 60 C LEU A 64 5.473 -12.930 -14.360 1.00 0.00 C ATOM 61 O LEU A 64 4.480 -13.065 -13.645 1.00 0.00 O ATOM 62 CB LEU A 64 5.845 -13.362 -16.795 1.00 0.00 C ATOM 63 CG LEU A 64 4.485 -13.246 -17.486 1.00 0.00 C ATOM 64 CD1 LEU A 64 3.587 -12.275 -16.735 1.00 0.00 C ATOM 65 CD2 LEU A 64 4.657 -12.806 -18.932 1.00 0.00 C ATOM 0 H LEU A 64 4.043 -14.918 -14.839 1.00 0.00 H new ATOM 0 HA LEU A 64 6.835 -14.362 -15.172 1.00 0.00 H new ATOM 0 HB2 LEU A 64 6.280 -12.365 -16.724 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.504 -13.953 -17.431 1.00 0.00 H new ATOM 0 HG LEU A 64 4.011 -14.227 -17.480 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.624 -12.205 -17.241 1.00 0.00 H new ATOM 0 HD12 LEU A 64 3.437 -12.632 -15.716 1.00 0.00 H new ATOM 0 HD13 LEU A 64 4.056 -11.291 -16.709 1.00 0.00 H new ATOM 0 HD21 LEU A 64 3.679 -12.729 -19.408 1.00 0.00 H new ATOM 0 HD22 LEU A 64 5.152 -11.835 -18.961 1.00 0.00 H new ATOM 0 HD23 LEU A 64 5.263 -13.538 -19.465 1.00 0.00 H new ATOM 77 N ALA A 65 6.282 -11.878 -14.283 1.00 0.00 N ATOM 78 CA ALA A 65 6.043 -10.797 -13.335 1.00 0.00 C ATOM 79 C ALA A 65 6.342 -11.243 -11.908 1.00 0.00 C ATOM 80 O ALA A 65 5.468 -11.212 -11.041 1.00 0.00 O ATOM 81 CB ALA A 65 4.607 -10.306 -13.446 1.00 0.00 C ATOM 0 H ALA A 65 7.109 -11.752 -14.866 1.00 0.00 H new ATOM 0 HA ALA A 65 6.717 -9.976 -13.580 1.00 0.00 H new ATOM 0 HB1 ALA A 65 4.442 -9.499 -12.732 1.00 0.00 H new ATOM 0 HB2 ALA A 65 4.425 -9.940 -14.456 1.00 0.00 H new ATOM 0 HB3 ALA A 65 3.924 -11.127 -13.229 1.00 0.00 H new ATOM 87 N HIS A 66 7.582 -11.658 -11.670 1.00 0.00 N ATOM 88 CA HIS A 66 7.997 -12.111 -10.347 1.00 0.00 C ATOM 89 C HIS A 66 9.502 -11.946 -10.163 1.00 0.00 C ATOM 90 O HIS A 66 10.137 -12.713 -9.438 1.00 0.00 O ATOM 91 CB HIS A 66 7.603 -13.573 -10.138 1.00 0.00 C ATOM 92 CG HIS A 66 6.933 -13.831 -8.824 1.00 0.00 C ATOM 93 ND1 HIS A 66 7.628 -14.130 -7.671 1.00 0.00 N ATOM 94 CD2 HIS A 66 5.623 -13.832 -8.482 1.00 0.00 C ATOM 95 CE1 HIS A 66 6.775 -14.306 -6.678 1.00 0.00 C ATOM 96 NE2 HIS A 66 5.551 -14.130 -7.144 1.00 0.00 N ATOM 0 H HIS A 66 8.317 -11.690 -12.376 1.00 0.00 H new ATOM 0 HA HIS A 66 7.489 -11.496 -9.604 1.00 0.00 H new ATOM 0 HB2 HIS A 66 6.935 -13.879 -10.943 1.00 0.00 H new ATOM 0 HB3 HIS A 66 8.495 -14.195 -10.210 1.00 0.00 H new ATOM 0 HD2 HIS A 66 4.789 -13.635 -9.140 1.00 0.00 H new ATOM 0 HE1 HIS A 66 7.034 -14.552 -5.659 1.00 0.00 H new ATOM 0 HE2 HIS A 66 4.692 -14.204 -6.598 1.00 0.00 H new ATOM 104 N HIS A 67 10.068 -10.941 -10.824 1.00 0.00 N ATOM 105 CA HIS A 67 11.499 -10.676 -10.734 1.00 0.00 C ATOM 106 C HIS A 67 11.867 -9.408 -11.499 1.00 0.00 C ATOM 107 O HIS A 67 11.736 -9.349 -12.722 1.00 0.00 O ATOM 108 CB HIS A 67 12.295 -11.863 -11.278 1.00 0.00 C ATOM 109 CG HIS A 67 13.778 -11.662 -11.231 1.00 0.00 C ATOM 110 ND1 HIS A 67 14.657 -12.347 -12.043 1.00 0.00 N ATOM 111 CD2 HIS A 67 14.537 -10.845 -10.463 1.00 0.00 C ATOM 112 CE1 HIS A 67 15.892 -11.962 -11.776 1.00 0.00 C ATOM 113 NE2 HIS A 67 15.847 -11.051 -10.821 1.00 0.00 N ATOM 0 H HIS A 67 9.557 -10.297 -11.428 1.00 0.00 H new ATOM 0 HA HIS A 67 11.750 -10.531 -9.683 1.00 0.00 H new ATOM 0 HB2 HIS A 67 12.039 -12.754 -10.705 1.00 0.00 H new ATOM 0 HB3 HIS A 67 11.994 -12.049 -12.309 1.00 0.00 H new ATOM 0 HD2 HIS A 67 14.179 -10.159 -9.709 1.00 0.00 H new ATOM 0 HE1 HIS A 67 16.786 -12.330 -12.257 1.00 0.00 H new ATOM 0 HE2 HIS A 67 16.654 -10.577 -10.415 1.00 0.00 H new ATOM 121 N PHE A 68 12.326 -8.396 -10.771 1.00 0.00 N ATOM 122 CA PHE A 68 12.710 -7.128 -11.382 1.00 0.00 C ATOM 123 C PHE A 68 14.107 -7.218 -11.990 1.00 0.00 C ATOM 124 O PHE A 68 14.849 -8.165 -11.729 1.00 0.00 O ATOM 125 CB PHE A 68 12.665 -6.004 -10.345 1.00 0.00 C ATOM 126 CG PHE A 68 11.765 -4.866 -10.733 1.00 0.00 C ATOM 127 CD1 PHE A 68 10.466 -5.104 -11.152 1.00 0.00 C ATOM 128 CD2 PHE A 68 12.218 -3.558 -10.681 1.00 0.00 C ATOM 129 CE1 PHE A 68 9.635 -4.059 -11.510 1.00 0.00 C ATOM 130 CE2 PHE A 68 11.392 -2.509 -11.037 1.00 0.00 C ATOM 131 CZ PHE A 68 10.099 -2.760 -11.453 1.00 0.00 C ATOM 0 H PHE A 68 12.441 -8.428 -9.758 1.00 0.00 H new ATOM 0 HA PHE A 68 12.000 -6.907 -12.179 1.00 0.00 H new ATOM 0 HB2 PHE A 68 12.330 -6.413 -9.392 1.00 0.00 H new ATOM 0 HB3 PHE A 68 13.674 -5.622 -10.191 1.00 0.00 H new ATOM 0 HD1 PHE A 68 10.098 -6.118 -11.199 1.00 0.00 H new ATOM 0 HD2 PHE A 68 13.229 -3.356 -10.358 1.00 0.00 H new ATOM 0 HE1 PHE A 68 8.624 -4.258 -11.834 1.00 0.00 H new ATOM 0 HE2 PHE A 68 11.757 -1.494 -10.990 1.00 0.00 H new ATOM 0 HZ PHE A 68 9.452 -1.942 -11.733 1.00 0.00 H new ATOM 141 N SER A 69 14.457 -6.226 -12.802 1.00 0.00 N ATOM 142 CA SER A 69 15.763 -6.195 -13.451 1.00 0.00 C ATOM 143 C SER A 69 16.023 -4.830 -14.081 1.00 0.00 C ATOM 144 O SER A 69 15.286 -3.875 -13.844 1.00 0.00 O ATOM 145 CB SER A 69 15.851 -7.288 -14.519 1.00 0.00 C ATOM 146 OG SER A 69 17.190 -7.477 -14.945 1.00 0.00 O ATOM 0 H SER A 69 13.855 -5.434 -13.026 1.00 0.00 H new ATOM 0 HA SER A 69 16.524 -6.377 -12.692 1.00 0.00 H new ATOM 0 HB2 SER A 69 15.457 -8.223 -14.121 1.00 0.00 H new ATOM 0 HB3 SER A 69 15.229 -7.018 -15.372 1.00 0.00 H new ATOM 0 HG SER A 69 17.220 -8.181 -15.626 1.00 0.00 H new ATOM 152 N GLU A 70 17.079 -4.749 -14.886 1.00 0.00 N ATOM 153 CA GLU A 70 17.438 -3.501 -15.550 1.00 0.00 C ATOM 154 C GLU A 70 16.512 -3.228 -16.732 1.00 0.00 C ATOM 155 O GLU A 70 15.792 -2.230 -16.771 1.00 0.00 O ATOM 156 CB GLU A 70 18.891 -3.551 -16.026 1.00 0.00 C ATOM 157 CG GLU A 70 19.835 -2.704 -15.189 1.00 0.00 C ATOM 158 CD GLU A 70 21.242 -3.268 -15.148 1.00 0.00 C ATOM 159 OE1 GLU A 70 21.503 -4.154 -14.308 1.00 0.00 O ATOM 160 OE2 GLU A 70 22.083 -2.822 -15.958 1.00 0.00 O ATOM 0 H GLU A 70 17.699 -5.532 -15.094 1.00 0.00 H new ATOM 0 HA GLU A 70 17.327 -2.690 -14.830 1.00 0.00 H new ATOM 0 HB2 GLU A 70 19.234 -4.585 -16.011 1.00 0.00 H new ATOM 0 HB3 GLU A 70 18.937 -3.215 -17.062 1.00 0.00 H new ATOM 0 HG2 GLU A 70 19.865 -1.692 -15.593 1.00 0.00 H new ATOM 0 HG3 GLU A 70 19.447 -2.630 -14.173 1.00 0.00 H new ATOM 167 N PRO A 71 16.532 -4.135 -17.720 1.00 0.00 N ATOM 168 CA PRO A 71 15.701 -4.014 -18.922 1.00 0.00 C ATOM 169 C PRO A 71 14.220 -4.224 -18.626 1.00 0.00 C ATOM 170 O PRO A 71 13.755 -5.358 -18.513 1.00 0.00 O ATOM 171 CB PRO A 71 16.228 -5.128 -19.830 1.00 0.00 C ATOM 172 CG PRO A 71 16.814 -6.132 -18.898 1.00 0.00 C ATOM 173 CD PRO A 71 17.366 -5.348 -17.740 1.00 0.00 C ATOM 0 HA PRO A 71 15.764 -3.019 -19.363 1.00 0.00 H new ATOM 0 HB2 PRO A 71 15.427 -5.563 -20.428 1.00 0.00 H new ATOM 0 HB3 PRO A 71 16.977 -4.750 -20.526 1.00 0.00 H new ATOM 0 HG2 PRO A 71 16.058 -6.842 -18.564 1.00 0.00 H new ATOM 0 HG3 PRO A 71 17.598 -6.709 -19.388 1.00 0.00 H new ATOM 0 HD2 PRO A 71 17.289 -5.904 -16.806 1.00 0.00 H new ATOM 0 HD3 PRO A 71 18.420 -5.109 -17.883 1.00 0.00 H new ATOM 181 N GLU A 72 13.484 -3.124 -18.502 1.00 0.00 N ATOM 182 CA GLU A 72 12.055 -3.190 -18.218 1.00 0.00 C ATOM 183 C GLU A 72 11.384 -1.847 -18.493 1.00 0.00 C ATOM 184 O GLU A 72 10.364 -1.780 -19.181 1.00 0.00 O ATOM 185 CB GLU A 72 11.819 -3.602 -16.764 1.00 0.00 C ATOM 186 CG GLU A 72 12.690 -2.853 -15.770 1.00 0.00 C ATOM 187 CD GLU A 72 12.580 -3.409 -14.363 1.00 0.00 C ATOM 188 OE1 GLU A 72 12.070 -4.538 -14.209 1.00 0.00 O ATOM 189 OE2 GLU A 72 13.006 -2.714 -13.417 1.00 0.00 O ATOM 0 H GLU A 72 13.853 -2.178 -18.594 1.00 0.00 H new ATOM 0 HA GLU A 72 11.614 -3.939 -18.876 1.00 0.00 H new ATOM 0 HB2 GLU A 72 10.771 -3.436 -16.514 1.00 0.00 H new ATOM 0 HB3 GLU A 72 12.005 -4.671 -16.663 1.00 0.00 H new ATOM 0 HG2 GLU A 72 13.729 -2.901 -16.095 1.00 0.00 H new ATOM 0 HG3 GLU A 72 12.406 -1.801 -15.764 1.00 0.00 H new ATOM 196 N ILE A 73 11.962 -0.781 -17.950 1.00 0.00 N ATOM 197 CA ILE A 73 11.421 0.559 -18.137 1.00 0.00 C ATOM 198 C ILE A 73 11.213 0.867 -19.616 1.00 0.00 C ATOM 199 O ILE A 73 10.141 1.316 -20.023 1.00 0.00 O ATOM 200 CB ILE A 73 12.346 1.629 -17.527 1.00 0.00 C ATOM 201 CG1 ILE A 73 12.549 1.368 -16.033 1.00 0.00 C ATOM 202 CG2 ILE A 73 11.768 3.019 -17.753 1.00 0.00 C ATOM 203 CD1 ILE A 73 13.522 2.323 -15.379 1.00 0.00 C ATOM 0 H ILE A 73 12.805 -0.820 -17.377 1.00 0.00 H new ATOM 0 HA ILE A 73 10.459 0.585 -17.624 1.00 0.00 H new ATOM 0 HB ILE A 73 13.316 1.574 -18.021 1.00 0.00 H new ATOM 0 HG12 ILE A 73 11.587 1.439 -15.526 1.00 0.00 H new ATOM 0 HG13 ILE A 73 12.907 0.348 -15.896 1.00 0.00 H new ATOM 0 HG21 ILE A 73 12.432 3.765 -17.317 1.00 0.00 H new ATOM 0 HG22 ILE A 73 11.670 3.203 -18.823 1.00 0.00 H new ATOM 0 HG23 ILE A 73 10.788 3.086 -17.282 1.00 0.00 H new ATOM 0 HD11 ILE A 73 13.616 2.078 -14.321 1.00 0.00 H new ATOM 0 HD12 ILE A 73 14.496 2.236 -15.860 1.00 0.00 H new ATOM 0 HD13 ILE A 73 13.156 3.344 -15.484 1.00 0.00 H new ATOM 215 N THR A 74 12.244 0.620 -20.417 1.00 0.00 N ATOM 216 CA THR A 74 12.175 0.870 -21.851 1.00 0.00 C ATOM 217 C THR A 74 10.924 0.245 -22.458 1.00 0.00 C ATOM 218 O THR A 74 10.168 0.908 -23.169 1.00 0.00 O ATOM 219 CB THR A 74 13.415 0.318 -22.579 1.00 0.00 C ATOM 220 OG1 THR A 74 14.607 0.845 -21.984 1.00 0.00 O ATOM 221 CG2 THR A 74 13.380 0.676 -24.057 1.00 0.00 C ATOM 0 H THR A 74 13.138 0.247 -20.097 1.00 0.00 H new ATOM 0 HA THR A 74 12.138 1.952 -21.981 1.00 0.00 H new ATOM 0 HB THR A 74 13.411 -0.768 -22.485 1.00 0.00 H new ATOM 0 HG1 THR A 74 15.391 0.488 -22.451 1.00 0.00 H new ATOM 0 HG21 THR A 74 14.266 0.275 -24.550 1.00 0.00 H new ATOM 0 HG22 THR A 74 12.487 0.250 -24.514 1.00 0.00 H new ATOM 0 HG23 THR A 74 13.362 1.760 -24.168 1.00 0.00 H new ATOM 229 N LEU A 75 10.710 -1.035 -22.174 1.00 0.00 N ATOM 230 CA LEU A 75 9.549 -1.751 -22.691 1.00 0.00 C ATOM 231 C LEU A 75 8.256 -1.036 -22.312 1.00 0.00 C ATOM 232 O LEU A 75 7.401 -0.787 -23.163 1.00 0.00 O ATOM 233 CB LEU A 75 9.529 -3.184 -22.158 1.00 0.00 C ATOM 234 CG LEU A 75 10.734 -4.052 -22.521 1.00 0.00 C ATOM 235 CD1 LEU A 75 10.641 -5.408 -21.837 1.00 0.00 C ATOM 236 CD2 LEU A 75 10.835 -4.220 -24.030 1.00 0.00 C ATOM 0 H LEU A 75 11.326 -1.599 -21.588 1.00 0.00 H new ATOM 0 HA LEU A 75 9.623 -1.777 -23.778 1.00 0.00 H new ATOM 0 HB2 LEU A 75 9.449 -3.145 -21.072 1.00 0.00 H new ATOM 0 HB3 LEU A 75 8.629 -3.675 -22.527 1.00 0.00 H new ATOM 0 HG LEU A 75 11.637 -3.552 -22.170 1.00 0.00 H new ATOM 0 HD11 LEU A 75 11.507 -6.012 -22.107 1.00 0.00 H new ATOM 0 HD12 LEU A 75 10.618 -5.269 -20.756 1.00 0.00 H new ATOM 0 HD13 LEU A 75 9.731 -5.915 -22.157 1.00 0.00 H new ATOM 0 HD21 LEU A 75 11.698 -4.841 -24.270 1.00 0.00 H new ATOM 0 HD22 LEU A 75 9.930 -4.698 -24.404 1.00 0.00 H new ATOM 0 HD23 LEU A 75 10.950 -3.242 -24.498 1.00 0.00 H new ATOM 248 N ILE A 76 8.121 -0.709 -21.032 1.00 0.00 N ATOM 249 CA ILE A 76 6.933 -0.020 -20.541 1.00 0.00 C ATOM 250 C ILE A 76 6.705 1.286 -21.294 1.00 0.00 C ATOM 251 O ILE A 76 5.584 1.591 -21.703 1.00 0.00 O ATOM 252 CB ILE A 76 7.039 0.280 -19.034 1.00 0.00 C ATOM 253 CG1 ILE A 76 7.301 -1.009 -18.252 1.00 0.00 C ATOM 254 CG2 ILE A 76 5.771 0.958 -18.539 1.00 0.00 C ATOM 255 CD1 ILE A 76 6.135 -1.972 -18.267 1.00 0.00 C ATOM 0 H ILE A 76 8.819 -0.910 -20.316 1.00 0.00 H new ATOM 0 HA ILE A 76 6.088 -0.687 -20.711 1.00 0.00 H new ATOM 0 HB ILE A 76 7.877 0.958 -18.871 1.00 0.00 H new ATOM 0 HG12 ILE A 76 8.177 -1.506 -18.669 1.00 0.00 H new ATOM 0 HG13 ILE A 76 7.539 -0.756 -17.219 1.00 0.00 H new ATOM 0 HG21 ILE A 76 5.861 1.164 -17.472 1.00 0.00 H new ATOM 0 HG22 ILE A 76 5.625 1.894 -19.078 1.00 0.00 H new ATOM 0 HG23 ILE A 76 4.917 0.303 -18.711 1.00 0.00 H new ATOM 0 HD11 ILE A 76 6.391 -2.863 -17.693 1.00 0.00 H new ATOM 0 HD12 ILE A 76 5.262 -1.493 -17.823 1.00 0.00 H new ATOM 0 HD13 ILE A 76 5.910 -2.255 -19.295 1.00 0.00 H new ATOM 267 N ILE A 77 7.775 2.053 -21.475 1.00 0.00 N ATOM 268 CA ILE A 77 7.692 3.325 -22.181 1.00 0.00 C ATOM 269 C ILE A 77 7.278 3.121 -23.635 1.00 0.00 C ATOM 270 O ILE A 77 6.358 3.774 -24.127 1.00 0.00 O ATOM 271 CB ILE A 77 9.034 4.080 -22.142 1.00 0.00 C ATOM 272 CG1 ILE A 77 9.389 4.459 -20.703 1.00 0.00 C ATOM 273 CG2 ILE A 77 8.970 5.319 -23.023 1.00 0.00 C ATOM 274 CD1 ILE A 77 8.484 5.521 -20.118 1.00 0.00 C ATOM 0 H ILE A 77 8.709 1.815 -21.142 1.00 0.00 H new ATOM 0 HA ILE A 77 6.935 3.920 -21.670 1.00 0.00 H new ATOM 0 HB ILE A 77 9.815 3.425 -22.528 1.00 0.00 H new ATOM 0 HG12 ILE A 77 9.340 3.567 -20.078 1.00 0.00 H new ATOM 0 HG13 ILE A 77 10.419 4.814 -20.673 1.00 0.00 H new ATOM 0 HG21 ILE A 77 9.926 5.842 -22.985 1.00 0.00 H new ATOM 0 HG22 ILE A 77 8.758 5.024 -24.051 1.00 0.00 H new ATOM 0 HG23 ILE A 77 8.180 5.980 -22.665 1.00 0.00 H new ATOM 0 HD11 ILE A 77 8.794 5.740 -19.096 1.00 0.00 H new ATOM 0 HD12 ILE A 77 8.550 6.427 -20.720 1.00 0.00 H new ATOM 0 HD13 ILE A 77 7.455 5.161 -20.116 1.00 0.00 H new ATOM 286 N PHE A 78 7.963 2.208 -24.316 1.00 0.00 N ATOM 287 CA PHE A 78 7.666 1.916 -25.714 1.00 0.00 C ATOM 288 C PHE A 78 6.193 1.564 -25.895 1.00 0.00 C ATOM 289 O PHE A 78 5.525 2.084 -26.789 1.00 0.00 O ATOM 290 CB PHE A 78 8.542 0.765 -26.213 1.00 0.00 C ATOM 291 CG PHE A 78 8.236 0.347 -27.623 1.00 0.00 C ATOM 292 CD1 PHE A 78 8.795 1.020 -28.697 1.00 0.00 C ATOM 293 CD2 PHE A 78 7.389 -0.721 -27.874 1.00 0.00 C ATOM 294 CE1 PHE A 78 8.513 0.637 -29.995 1.00 0.00 C ATOM 295 CE2 PHE A 78 7.104 -1.108 -29.169 1.00 0.00 C ATOM 296 CZ PHE A 78 7.668 -0.429 -30.231 1.00 0.00 C ATOM 0 H PHE A 78 8.727 1.658 -23.923 1.00 0.00 H new ATOM 0 HA PHE A 78 7.882 2.809 -26.300 1.00 0.00 H new ATOM 0 HB2 PHE A 78 9.589 1.062 -26.150 1.00 0.00 H new ATOM 0 HB3 PHE A 78 8.413 -0.092 -25.552 1.00 0.00 H new ATOM 0 HD1 PHE A 78 9.459 1.853 -28.518 1.00 0.00 H new ATOM 0 HD2 PHE A 78 6.947 -1.257 -27.047 1.00 0.00 H new ATOM 0 HE1 PHE A 78 8.953 1.171 -30.824 1.00 0.00 H new ATOM 0 HE2 PHE A 78 6.441 -1.941 -29.351 1.00 0.00 H new ATOM 0 HZ PHE A 78 7.448 -0.731 -31.244 1.00 0.00 H new ATOM 306 N GLY A 79 5.692 0.677 -25.040 1.00 0.00 N ATOM 307 CA GLY A 79 4.302 0.270 -25.123 1.00 0.00 C ATOM 308 C GLY A 79 3.348 1.444 -25.030 1.00 0.00 C ATOM 309 O GLY A 79 2.487 1.624 -25.892 1.00 0.00 O ATOM 0 H GLY A 79 6.224 0.233 -24.292 1.00 0.00 H new ATOM 0 HA2 GLY A 79 4.136 -0.256 -26.063 1.00 0.00 H new ATOM 0 HA3 GLY A 79 4.085 -0.435 -24.321 1.00 0.00 H new ATOM 313 N VAL A 80 3.497 2.244 -23.979 1.00 0.00 N ATOM 314 CA VAL A 80 2.641 3.407 -23.775 1.00 0.00 C ATOM 315 C VAL A 80 2.806 4.416 -24.906 1.00 0.00 C ATOM 316 O VAL A 80 1.852 5.090 -25.294 1.00 0.00 O ATOM 317 CB VAL A 80 2.947 4.101 -22.434 1.00 0.00 C ATOM 318 CG1 VAL A 80 1.984 5.255 -22.199 1.00 0.00 C ATOM 319 CG2 VAL A 80 2.882 3.100 -21.290 1.00 0.00 C ATOM 0 H VAL A 80 4.203 2.108 -23.255 1.00 0.00 H new ATOM 0 HA VAL A 80 1.613 3.045 -23.762 1.00 0.00 H new ATOM 0 HB VAL A 80 3.958 4.506 -22.476 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.215 5.734 -21.247 1.00 0.00 H new ATOM 0 HG12 VAL A 80 2.084 5.982 -23.005 1.00 0.00 H new ATOM 0 HG13 VAL A 80 0.962 4.877 -22.176 1.00 0.00 H new ATOM 0 HG21 VAL A 80 3.101 3.607 -20.350 1.00 0.00 H new ATOM 0 HG22 VAL A 80 1.884 2.665 -21.244 1.00 0.00 H new ATOM 0 HG23 VAL A 80 3.615 2.310 -21.455 1.00 0.00 H new ATOM 329 N MET A 81 4.023 4.514 -25.432 1.00 0.00 N ATOM 330 CA MET A 81 4.312 5.440 -26.520 1.00 0.00 C ATOM 331 C MET A 81 3.568 5.036 -27.790 1.00 0.00 C ATOM 332 O MET A 81 2.941 5.869 -28.444 1.00 0.00 O ATOM 333 CB MET A 81 5.817 5.488 -26.791 1.00 0.00 C ATOM 334 CG MET A 81 6.590 6.316 -25.777 1.00 0.00 C ATOM 335 SD MET A 81 6.384 8.089 -26.026 1.00 0.00 S ATOM 336 CE MET A 81 5.009 8.428 -24.930 1.00 0.00 C ATOM 0 H MET A 81 4.824 3.964 -25.122 1.00 0.00 H new ATOM 0 HA MET A 81 3.972 6.431 -26.220 1.00 0.00 H new ATOM 0 HB2 MET A 81 6.210 4.471 -26.793 1.00 0.00 H new ATOM 0 HB3 MET A 81 5.986 5.897 -27.787 1.00 0.00 H new ATOM 0 HG2 MET A 81 6.260 6.053 -24.772 1.00 0.00 H new ATOM 0 HG3 MET A 81 7.649 6.065 -25.840 1.00 0.00 H new ATOM 0 HE1 MET A 81 4.177 8.833 -25.505 1.00 0.00 H new ATOM 0 HE2 MET A 81 4.697 7.505 -24.441 1.00 0.00 H new ATOM 0 HE3 MET A 81 5.315 9.152 -24.175 1.00 0.00 H new ATOM 346 N ALA A 82 3.643 3.754 -28.132 1.00 0.00 N ATOM 347 CA ALA A 82 2.976 3.241 -29.321 1.00 0.00 C ATOM 348 C ALA A 82 1.460 3.328 -29.181 1.00 0.00 C ATOM 349 O ALA A 82 0.764 3.741 -30.107 1.00 0.00 O ATOM 350 CB ALA A 82 3.401 1.804 -29.587 1.00 0.00 C ATOM 0 H ALA A 82 4.159 3.052 -27.602 1.00 0.00 H new ATOM 0 HA ALA A 82 3.273 3.859 -30.168 1.00 0.00 H new ATOM 0 HB1 ALA A 82 2.895 1.434 -30.478 1.00 0.00 H new ATOM 0 HB2 ALA A 82 4.480 1.766 -29.740 1.00 0.00 H new ATOM 0 HB3 ALA A 82 3.134 1.182 -28.733 1.00 0.00 H new ATOM 356 N GLY A 83 0.954 2.935 -28.016 1.00 0.00 N ATOM 357 CA GLY A 83 -0.477 2.977 -27.776 1.00 0.00 C ATOM 358 C GLY A 83 -1.032 4.386 -27.826 1.00 0.00 C ATOM 359 O GLY A 83 -1.999 4.655 -28.539 1.00 0.00 O ATOM 0 H GLY A 83 1.509 2.588 -27.234 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -0.985 2.363 -28.520 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -0.692 2.540 -26.801 1.00 0.00 H new ATOM 363 N VAL A 84 -0.421 5.289 -27.065 1.00 0.00 N ATOM 364 CA VAL A 84 -0.861 6.678 -27.025 1.00 0.00 C ATOM 365 C VAL A 84 -0.935 7.272 -28.427 1.00 0.00 C ATOM 366 O VAL A 84 -1.988 7.741 -28.860 1.00 0.00 O ATOM 367 CB VAL A 84 0.080 7.540 -26.163 1.00 0.00 C ATOM 368 CG1 VAL A 84 -0.214 9.019 -26.366 1.00 0.00 C ATOM 369 CG2 VAL A 84 -0.044 7.160 -24.696 1.00 0.00 C ATOM 0 H VAL A 84 0.380 5.083 -26.468 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.856 6.682 -26.579 1.00 0.00 H new ATOM 0 HB VAL A 84 1.106 7.352 -26.478 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.461 9.612 -25.749 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.069 9.278 -27.415 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -1.245 9.228 -26.080 1.00 0.00 H new ATOM 0 HG21 VAL A 84 0.628 7.779 -24.102 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.070 7.317 -24.365 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.221 6.111 -24.568 1.00 0.00 H new ATOM 379 N ILE A 85 0.191 7.249 -29.134 1.00 0.00 N ATOM 380 CA ILE A 85 0.253 7.783 -30.488 1.00 0.00 C ATOM 381 C ILE A 85 -0.793 7.131 -31.386 1.00 0.00 C ATOM 382 O ILE A 85 -1.441 7.800 -32.189 1.00 0.00 O ATOM 383 CB ILE A 85 1.647 7.578 -31.110 1.00 0.00 C ATOM 384 CG1 ILE A 85 2.708 8.317 -30.293 1.00 0.00 C ATOM 385 CG2 ILE A 85 1.657 8.055 -32.555 1.00 0.00 C ATOM 386 CD1 ILE A 85 2.543 9.821 -30.307 1.00 0.00 C ATOM 0 H ILE A 85 1.072 6.866 -28.791 1.00 0.00 H new ATOM 0 HA ILE A 85 0.049 8.851 -30.415 1.00 0.00 H new ATOM 0 HB ILE A 85 1.881 6.514 -31.097 1.00 0.00 H new ATOM 0 HG12 ILE A 85 2.671 7.965 -29.262 1.00 0.00 H new ATOM 0 HG13 ILE A 85 3.695 8.064 -30.681 1.00 0.00 H new ATOM 0 HG21 ILE A 85 2.649 7.904 -32.981 1.00 0.00 H new ATOM 0 HG22 ILE A 85 0.925 7.489 -33.130 1.00 0.00 H new ATOM 0 HG23 ILE A 85 1.405 9.115 -32.590 1.00 0.00 H new ATOM 0 HD11 ILE A 85 3.330 10.279 -29.707 1.00 0.00 H new ATOM 0 HD12 ILE A 85 2.610 10.185 -31.332 1.00 0.00 H new ATOM 0 HD13 ILE A 85 1.570 10.084 -29.891 1.00 0.00 H new ATOM 398 N GLY A 86 -0.954 5.819 -31.241 1.00 0.00 N ATOM 399 CA GLY A 86 -1.924 5.097 -32.044 1.00 0.00 C ATOM 400 C GLY A 86 -3.336 5.613 -31.849 1.00 0.00 C ATOM 401 O GLY A 86 -4.022 5.949 -32.815 1.00 0.00 O ATOM 0 H GLY A 86 -0.430 5.243 -30.582 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -1.653 5.179 -33.097 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -1.888 4.038 -31.787 1.00 0.00 H new ATOM 405 N THR A 87 -3.774 5.673 -30.595 1.00 0.00 N ATOM 406 CA THR A 87 -5.114 6.148 -30.276 1.00 0.00 C ATOM 407 C THR A 87 -5.359 7.536 -30.858 1.00 0.00 C ATOM 408 O THR A 87 -6.424 7.806 -31.415 1.00 0.00 O ATOM 409 CB THR A 87 -5.347 6.194 -28.754 1.00 0.00 C ATOM 410 OG1 THR A 87 -4.754 5.048 -28.133 1.00 0.00 O ATOM 411 CG2 THR A 87 -6.833 6.239 -28.434 1.00 0.00 C ATOM 0 H THR A 87 -3.220 5.398 -29.784 1.00 0.00 H new ATOM 0 HA THR A 87 -5.814 5.441 -30.722 1.00 0.00 H new ATOM 0 HB THR A 87 -4.881 7.099 -28.365 1.00 0.00 H new ATOM 0 HG1 THR A 87 -4.880 4.263 -28.707 1.00 0.00 H new ATOM 0 HG21 THR A 87 -6.972 6.271 -27.353 1.00 0.00 H new ATOM 0 HG22 THR A 87 -7.275 7.128 -28.883 1.00 0.00 H new ATOM 0 HG23 THR A 87 -7.319 5.350 -28.836 1.00 0.00 H new ATOM 419 N ILE A 88 -4.368 8.411 -30.727 1.00 0.00 N ATOM 420 CA ILE A 88 -4.477 9.770 -31.242 1.00 0.00 C ATOM 421 C ILE A 88 -4.779 9.769 -32.737 1.00 0.00 C ATOM 422 O ILE A 88 -5.677 10.473 -33.200 1.00 0.00 O ATOM 423 CB ILE A 88 -3.186 10.572 -30.991 1.00 0.00 C ATOM 424 CG1 ILE A 88 -2.882 10.636 -29.493 1.00 0.00 C ATOM 425 CG2 ILE A 88 -3.311 11.972 -31.573 1.00 0.00 C ATOM 426 CD1 ILE A 88 -1.420 10.863 -29.182 1.00 0.00 C ATOM 0 H ILE A 88 -3.481 8.203 -30.269 1.00 0.00 H new ATOM 0 HA ILE A 88 -5.300 10.245 -30.708 1.00 0.00 H new ATOM 0 HB ILE A 88 -2.359 10.066 -31.488 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -3.469 11.438 -29.045 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -3.204 9.706 -29.025 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -2.391 12.527 -31.388 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -3.484 11.905 -32.647 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -4.147 12.489 -31.102 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -1.279 10.897 -28.102 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -0.828 10.048 -29.600 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -1.097 11.807 -29.620 1.00 0.00 H new ATOM 438 N LEU A 89 -4.025 8.973 -33.486 1.00 0.00 N ATOM 439 CA LEU A 89 -4.213 8.877 -34.930 1.00 0.00 C ATOM 440 C LEU A 89 -5.636 8.441 -35.266 1.00 0.00 C ATOM 441 O LEU A 89 -6.345 9.119 -36.010 1.00 0.00 O ATOM 442 CB LEU A 89 -3.209 7.892 -35.531 1.00 0.00 C ATOM 443 CG LEU A 89 -1.772 8.395 -35.663 1.00 0.00 C ATOM 444 CD1 LEU A 89 -0.852 7.270 -36.112 1.00 0.00 C ATOM 445 CD2 LEU A 89 -1.703 9.564 -36.635 1.00 0.00 C ATOM 0 H LEU A 89 -3.278 8.384 -33.118 1.00 0.00 H new ATOM 0 HA LEU A 89 -4.045 9.864 -35.360 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -3.202 6.991 -34.917 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -3.563 7.601 -36.520 1.00 0.00 H new ATOM 0 HG LEU A 89 -1.437 8.742 -34.685 1.00 0.00 H new ATOM 0 HD11 LEU A 89 0.167 7.647 -36.201 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -0.878 6.464 -35.379 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -1.184 6.892 -37.079 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -0.672 9.909 -36.716 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -2.057 9.244 -37.615 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -2.330 10.378 -36.271 1.00 0.00 H new ATOM 457 N LEU A 90 -6.047 7.306 -34.712 1.00 0.00 N ATOM 458 CA LEU A 90 -7.386 6.779 -34.950 1.00 0.00 C ATOM 459 C LEU A 90 -8.451 7.788 -34.532 1.00 0.00 C ATOM 460 O LEU A 90 -9.361 8.099 -35.301 1.00 0.00 O ATOM 461 CB LEU A 90 -7.583 5.467 -34.189 1.00 0.00 C ATOM 462 CG LEU A 90 -7.013 4.213 -34.853 1.00 0.00 C ATOM 463 CD1 LEU A 90 -5.552 4.420 -35.219 1.00 0.00 C ATOM 464 CD2 LEU A 90 -7.171 3.007 -33.939 1.00 0.00 C ATOM 0 H LEU A 90 -5.472 6.733 -34.095 1.00 0.00 H new ATOM 0 HA LEU A 90 -7.490 6.590 -36.019 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -7.129 5.570 -33.204 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -8.651 5.318 -34.033 1.00 0.00 H new ATOM 0 HG LEU A 90 -7.572 4.024 -35.770 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -5.164 3.517 -35.690 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -5.466 5.257 -35.912 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -4.978 4.634 -34.318 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -6.760 2.124 -34.428 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -6.638 3.186 -33.005 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -8.228 2.846 -33.728 1.00 0.00 H new ATOM 476 N ILE A 91 -8.329 8.296 -33.310 1.00 0.00 N ATOM 477 CA ILE A 91 -9.279 9.272 -32.792 1.00 0.00 C ATOM 478 C ILE A 91 -9.373 10.488 -33.707 1.00 0.00 C ATOM 479 O ILE A 91 -10.466 10.913 -34.082 1.00 0.00 O ATOM 480 CB ILE A 91 -8.891 9.738 -31.376 1.00 0.00 C ATOM 481 CG1 ILE A 91 -9.110 8.610 -30.366 1.00 0.00 C ATOM 482 CG2 ILE A 91 -9.694 10.970 -30.985 1.00 0.00 C ATOM 483 CD1 ILE A 91 -10.564 8.238 -30.182 1.00 0.00 C ATOM 0 H ILE A 91 -7.582 8.048 -32.661 1.00 0.00 H new ATOM 0 HA ILE A 91 -10.249 8.776 -32.750 1.00 0.00 H new ATOM 0 HB ILE A 91 -7.833 10.002 -31.374 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -8.556 7.729 -30.691 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -8.695 8.909 -29.403 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -9.409 11.287 -29.982 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -9.492 11.775 -31.691 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -10.757 10.731 -31.001 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -10.644 7.432 -29.452 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -11.119 9.106 -29.827 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -10.978 7.907 -31.134 1.00 0.00 H new ATOM 495 N SER A 92 -8.219 11.043 -34.065 1.00 0.00 N ATOM 496 CA SER A 92 -8.171 12.212 -34.936 1.00 0.00 C ATOM 497 C SER A 92 -8.920 11.950 -36.239 1.00 0.00 C ATOM 498 O SER A 92 -9.472 12.869 -36.846 1.00 0.00 O ATOM 499 CB SER A 92 -6.719 12.591 -35.236 1.00 0.00 C ATOM 500 OG SER A 92 -6.195 11.804 -36.291 1.00 0.00 O ATOM 0 H SER A 92 -7.305 10.702 -33.766 1.00 0.00 H new ATOM 0 HA SER A 92 -8.656 13.040 -34.419 1.00 0.00 H new ATOM 0 HB2 SER A 92 -6.663 13.646 -35.503 1.00 0.00 H new ATOM 0 HB3 SER A 92 -6.112 12.456 -34.341 1.00 0.00 H new ATOM 0 HG SER A 92 -6.389 10.859 -36.121 1.00 0.00 H new ATOM 506 N TYR A 93 -8.935 10.692 -36.663 1.00 0.00 N ATOM 507 CA TYR A 93 -9.613 10.308 -37.895 1.00 0.00 C ATOM 508 C TYR A 93 -11.128 10.338 -37.715 1.00 0.00 C ATOM 509 O TYR A 93 -11.865 10.720 -38.623 1.00 0.00 O ATOM 510 CB TYR A 93 -9.169 8.912 -38.333 1.00 0.00 C ATOM 511 CG TYR A 93 -9.392 8.639 -39.804 1.00 0.00 C ATOM 512 CD1 TYR A 93 -8.836 9.462 -40.775 1.00 0.00 C ATOM 513 CD2 TYR A 93 -10.157 7.558 -40.221 1.00 0.00 C ATOM 514 CE1 TYR A 93 -9.037 9.217 -42.120 1.00 0.00 C ATOM 515 CE2 TYR A 93 -10.363 7.304 -41.564 1.00 0.00 C ATOM 516 CZ TYR A 93 -9.802 8.137 -42.509 1.00 0.00 C ATOM 517 OH TYR A 93 -10.004 7.889 -43.847 1.00 0.00 O ATOM 0 H TYR A 93 -8.485 9.920 -36.171 1.00 0.00 H new ATOM 0 HA TYR A 93 -9.342 11.027 -38.668 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -8.110 8.789 -38.106 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -9.709 8.168 -37.748 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -8.236 10.308 -40.474 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -10.599 6.904 -39.483 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -8.598 9.867 -42.862 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -10.960 6.458 -41.871 1.00 0.00 H new ATOM 0 HH TYR A 93 -10.564 7.091 -43.951 1.00 0.00 H new ATOM 527 N GLY A 94 -11.585 9.934 -36.533 1.00 0.00 N ATOM 528 CA GLY A 94 -13.009 9.922 -36.253 1.00 0.00 C ATOM 529 C GLY A 94 -13.612 11.313 -36.256 1.00 0.00 C ATOM 530 O GLY A 94 -14.749 11.503 -36.689 1.00 0.00 O ATOM 0 H GLY A 94 -10.994 9.615 -35.765 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -13.517 9.307 -36.996 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -13.181 9.457 -35.283 1.00 0.00 H new ATOM 534 N ILE A 95 -12.850 12.287 -35.771 1.00 0.00 N ATOM 535 CA ILE A 95 -13.316 13.667 -35.719 1.00 0.00 C ATOM 536 C ILE A 95 -13.521 14.231 -37.121 1.00 0.00 C ATOM 537 O ILE A 95 -14.386 15.080 -37.339 1.00 0.00 O ATOM 538 CB ILE A 95 -12.327 14.567 -34.955 1.00 0.00 C ATOM 539 CG1 ILE A 95 -12.142 14.060 -33.524 1.00 0.00 C ATOM 540 CG2 ILE A 95 -12.815 16.008 -34.954 1.00 0.00 C ATOM 541 CD1 ILE A 95 -13.424 14.040 -32.720 1.00 0.00 C ATOM 0 H ILE A 95 -11.907 12.146 -35.408 1.00 0.00 H new ATOM 0 HA ILE A 95 -14.269 13.658 -35.190 1.00 0.00 H new ATOM 0 HB ILE A 95 -11.362 14.531 -35.460 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -11.726 13.053 -33.555 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -11.413 14.691 -33.015 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -12.106 16.632 -34.410 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -12.899 16.364 -35.981 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -13.790 16.062 -34.470 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -13.218 13.670 -31.716 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -13.830 15.049 -32.658 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -14.148 13.386 -33.206 1.00 0.00 H new ATOM 553 N ARG A 96 -12.721 13.753 -38.068 1.00 0.00 N ATOM 554 CA ARG A 96 -12.815 14.209 -39.450 1.00 0.00 C ATOM 555 C ARG A 96 -14.037 13.608 -40.138 1.00 0.00 C ATOM 556 O ARG A 96 -14.760 14.299 -40.856 1.00 0.00 O ATOM 557 CB ARG A 96 -11.547 13.835 -40.220 1.00 0.00 C ATOM 558 CG ARG A 96 -11.136 14.870 -41.255 1.00 0.00 C ATOM 559 CD ARG A 96 -11.841 14.640 -42.582 1.00 0.00 C ATOM 560 NE ARG A 96 -11.363 15.549 -43.620 1.00 0.00 N ATOM 561 CZ ARG A 96 -10.216 15.384 -44.270 1.00 0.00 C ATOM 562 NH1 ARG A 96 -9.434 14.350 -43.990 1.00 0.00 N ATOM 563 NH2 ARG A 96 -9.849 16.254 -45.202 1.00 0.00 N ATOM 0 H ARG A 96 -12.000 13.050 -37.904 1.00 0.00 H new ATOM 0 HA ARG A 96 -12.920 15.294 -39.443 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -10.730 13.697 -39.512 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -11.703 12.878 -40.718 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -11.370 15.868 -40.886 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -10.057 14.830 -41.403 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -11.684 13.610 -42.902 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -12.915 14.773 -42.450 1.00 0.00 H new ATOM 0 HE ARG A 96 -11.941 16.355 -43.859 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -9.713 13.679 -43.274 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -8.554 14.226 -44.491 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -10.448 17.051 -45.420 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -8.968 16.126 -45.700 1.00 0.00 H new ATOM 577 N ARG A 97 -14.260 12.317 -39.916 1.00 0.00 N ATOM 578 CA ARG A 97 -15.393 11.622 -40.516 1.00 0.00 C ATOM 579 C ARG A 97 -15.406 11.812 -42.030 1.00 0.00 C ATOM 580 O ARG A 97 -16.463 11.775 -42.662 1.00 0.00 O ATOM 581 CB ARG A 97 -16.705 12.130 -39.916 1.00 0.00 C ATOM 582 CG ARG A 97 -17.885 11.203 -40.160 1.00 0.00 C ATOM 583 CD ARG A 97 -18.040 10.191 -39.035 1.00 0.00 C ATOM 584 NE ARG A 97 -18.747 10.753 -37.887 1.00 0.00 N ATOM 585 CZ ARG A 97 -19.182 10.026 -36.864 1.00 0.00 C ATOM 586 NH1 ARG A 97 -18.983 8.715 -36.846 1.00 0.00 N ATOM 587 NH2 ARG A 97 -19.817 10.610 -35.856 1.00 0.00 N ATOM 0 H ARG A 97 -13.671 11.731 -39.325 1.00 0.00 H new ATOM 0 HA ARG A 97 -15.291 10.558 -40.301 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -16.576 12.265 -38.842 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -16.931 13.110 -40.335 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -18.798 11.791 -40.251 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -17.748 10.679 -41.106 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -18.582 9.320 -39.403 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -17.055 9.845 -38.721 1.00 0.00 H new ATOM 0 HE ARG A 97 -18.916 11.759 -37.870 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -18.495 8.263 -37.619 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -19.318 8.159 -36.059 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -19.972 11.618 -35.866 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -20.151 10.051 -35.071 1.00 0.00 H new ATOM 601 N LEU A 98 -14.227 12.015 -42.606 1.00 0.00 N ATOM 602 CA LEU A 98 -14.102 12.210 -44.046 1.00 0.00 C ATOM 603 C LEU A 98 -15.064 13.288 -44.535 1.00 0.00 C ATOM 604 O LEU A 98 -16.102 12.955 -45.106 1.00 0.00 O ATOM 605 CB LEU A 98 -14.371 10.898 -44.784 1.00 0.00 C ATOM 606 CG LEU A 98 -14.225 10.941 -46.306 1.00 0.00 C ATOM 607 CD1 LEU A 98 -12.763 10.809 -46.706 1.00 0.00 C ATOM 608 CD2 LEU A 98 -15.058 9.845 -46.953 1.00 0.00 C ATOM 0 H LEU A 98 -13.343 12.049 -42.098 1.00 0.00 H new ATOM 0 HA LEU A 98 -13.083 12.535 -44.256 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -13.691 10.140 -44.395 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -15.383 10.571 -44.545 1.00 0.00 H new ATOM 0 HG LEU A 98 -14.592 11.905 -46.660 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -12.679 10.842 -47.792 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -12.192 11.630 -46.273 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -12.370 9.861 -46.340 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -14.942 9.891 -48.036 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -14.722 8.872 -46.593 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -16.108 9.985 -46.694 1.00 0.00 H new TER 620 LEU A 98 ATOM 621 N ARG B 61 19.296 -24.500 2.171 1.00 0.00 N ATOM 622 CA ARG B 61 19.136 -25.287 0.955 1.00 0.00 C ATOM 623 C ARG B 61 19.665 -24.527 -0.258 1.00 0.00 C ATOM 624 O ARG B 61 20.721 -24.857 -0.799 1.00 0.00 O ATOM 625 CB ARG B 61 17.664 -25.644 0.743 1.00 0.00 C ATOM 626 CG ARG B 61 17.068 -26.468 1.873 1.00 0.00 C ATOM 627 CD ARG B 61 17.766 -27.812 2.010 1.00 0.00 C ATOM 628 NE ARG B 61 18.955 -27.728 2.854 1.00 0.00 N ATOM 629 CZ ARG B 61 19.550 -28.787 3.393 1.00 0.00 C ATOM 630 NH1 ARG B 61 19.069 -30.003 3.177 1.00 0.00 N ATOM 631 NH2 ARG B 61 20.629 -28.629 4.149 1.00 0.00 N ATOM 0 HA ARG B 61 19.713 -26.205 1.068 1.00 0.00 H new ATOM 0 HB2 ARG B 61 17.088 -24.725 0.632 1.00 0.00 H new ATOM 0 HB3 ARG B 61 17.564 -26.197 -0.191 1.00 0.00 H new ATOM 0 HG2 ARG B 61 17.151 -25.917 2.810 1.00 0.00 H new ATOM 0 HG3 ARG B 61 16.005 -26.626 1.689 1.00 0.00 H new ATOM 0 HD2 ARG B 61 17.072 -28.539 2.432 1.00 0.00 H new ATOM 0 HD3 ARG B 61 18.048 -28.176 1.022 1.00 0.00 H new ATOM 0 HE ARG B 61 19.350 -26.806 3.040 1.00 0.00 H new ATOM 0 HH11 ARG B 61 18.240 -30.128 2.596 1.00 0.00 H new ATOM 0 HH12 ARG B 61 19.528 -30.814 3.592 1.00 0.00 H new ATOM 0 HH21 ARG B 61 21.002 -27.695 4.317 1.00 0.00 H new ATOM 0 HH22 ARG B 61 21.085 -29.442 4.563 1.00 0.00 H new ATOM 645 N VAL B 62 18.924 -23.508 -0.681 1.00 0.00 N ATOM 646 CA VAL B 62 19.319 -22.700 -1.829 1.00 0.00 C ATOM 647 C VAL B 62 19.347 -23.535 -3.104 1.00 0.00 C ATOM 648 O VAL B 62 20.249 -24.347 -3.306 1.00 0.00 O ATOM 649 CB VAL B 62 20.704 -22.061 -1.616 1.00 0.00 C ATOM 650 CG1 VAL B 62 21.015 -21.076 -2.733 1.00 0.00 C ATOM 651 CG2 VAL B 62 20.773 -21.380 -0.258 1.00 0.00 C ATOM 0 H VAL B 62 18.047 -23.222 -0.246 1.00 0.00 H new ATOM 0 HA VAL B 62 18.575 -21.910 -1.931 1.00 0.00 H new ATOM 0 HB VAL B 62 21.456 -22.849 -1.640 1.00 0.00 H new ATOM 0 HG11 VAL B 62 21.997 -20.634 -2.566 1.00 0.00 H new ATOM 0 HG12 VAL B 62 21.010 -21.598 -3.690 1.00 0.00 H new ATOM 0 HG13 VAL B 62 20.261 -20.289 -2.745 1.00 0.00 H new ATOM 0 HG21 VAL B 62 21.759 -20.934 -0.124 1.00 0.00 H new ATOM 0 HG22 VAL B 62 20.012 -20.602 -0.202 1.00 0.00 H new ATOM 0 HG23 VAL B 62 20.598 -22.116 0.527 1.00 0.00 H new ATOM 661 N GLN B 63 18.353 -23.328 -3.962 1.00 0.00 N ATOM 662 CA GLN B 63 18.264 -24.062 -5.219 1.00 0.00 C ATOM 663 C GLN B 63 19.160 -23.434 -6.281 1.00 0.00 C ATOM 664 O GLN B 63 19.771 -22.389 -6.054 1.00 0.00 O ATOM 665 CB GLN B 63 16.816 -24.098 -5.712 1.00 0.00 C ATOM 666 CG GLN B 63 16.170 -25.470 -5.603 1.00 0.00 C ATOM 667 CD GLN B 63 16.432 -26.337 -6.819 1.00 0.00 C ATOM 668 OE1 GLN B 63 17.334 -26.061 -7.610 1.00 0.00 O ATOM 669 NE2 GLN B 63 15.641 -27.392 -6.975 1.00 0.00 N ATOM 0 H GLN B 63 17.599 -22.659 -3.810 1.00 0.00 H new ATOM 0 HA GLN B 63 18.605 -25.082 -5.040 1.00 0.00 H new ATOM 0 HB2 GLN B 63 16.228 -23.382 -5.138 1.00 0.00 H new ATOM 0 HB3 GLN B 63 16.787 -23.774 -6.752 1.00 0.00 H new ATOM 0 HG2 GLN B 63 16.547 -25.975 -4.714 1.00 0.00 H new ATOM 0 HG3 GLN B 63 15.095 -25.352 -5.471 1.00 0.00 H new ATOM 0 HE21 GLN B 63 14.906 -27.583 -6.295 1.00 0.00 H new ATOM 0 HE22 GLN B 63 15.769 -28.011 -7.775 1.00 0.00 H new ATOM 678 N LEU B 64 19.233 -24.076 -7.442 1.00 0.00 N ATOM 679 CA LEU B 64 20.055 -23.580 -8.540 1.00 0.00 C ATOM 680 C LEU B 64 19.507 -24.048 -9.885 1.00 0.00 C ATOM 681 O LEU B 64 19.539 -25.237 -10.199 1.00 0.00 O ATOM 682 CB LEU B 64 21.501 -24.051 -8.374 1.00 0.00 C ATOM 683 CG LEU B 64 22.211 -23.601 -7.097 1.00 0.00 C ATOM 684 CD1 LEU B 64 23.529 -24.340 -6.930 1.00 0.00 C ATOM 685 CD2 LEU B 64 22.439 -22.096 -7.115 1.00 0.00 C ATOM 0 H LEU B 64 18.733 -24.941 -7.647 1.00 0.00 H new ATOM 0 HA LEU B 64 20.029 -22.491 -8.517 1.00 0.00 H new ATOM 0 HB2 LEU B 64 21.513 -25.140 -8.408 1.00 0.00 H new ATOM 0 HB3 LEU B 64 22.077 -23.699 -9.230 1.00 0.00 H new ATOM 0 HG LEU B 64 21.574 -23.841 -6.246 1.00 0.00 H new ATOM 0 HD11 LEU B 64 24.020 -24.006 -6.016 1.00 0.00 H new ATOM 0 HD12 LEU B 64 23.340 -25.412 -6.870 1.00 0.00 H new ATOM 0 HD13 LEU B 64 24.173 -24.132 -7.784 1.00 0.00 H new ATOM 0 HD21 LEU B 64 22.945 -21.794 -6.198 1.00 0.00 H new ATOM 0 HD22 LEU B 64 23.055 -21.832 -7.974 1.00 0.00 H new ATOM 0 HD23 LEU B 64 21.480 -21.583 -7.185 1.00 0.00 H new ATOM 697 N ALA B 65 19.007 -23.104 -10.675 1.00 0.00 N ATOM 698 CA ALA B 65 18.456 -23.419 -11.987 1.00 0.00 C ATOM 699 C ALA B 65 18.294 -22.159 -12.831 1.00 0.00 C ATOM 700 O ALA B 65 17.273 -21.474 -12.754 1.00 0.00 O ATOM 701 CB ALA B 65 17.121 -24.134 -11.842 1.00 0.00 C ATOM 0 H ALA B 65 18.972 -22.115 -10.429 1.00 0.00 H new ATOM 0 HA ALA B 65 19.156 -24.080 -12.498 1.00 0.00 H new ATOM 0 HB1 ALA B 65 16.722 -24.363 -12.830 1.00 0.00 H new ATOM 0 HB2 ALA B 65 17.263 -25.060 -11.285 1.00 0.00 H new ATOM 0 HB3 ALA B 65 16.421 -23.492 -11.307 1.00 0.00 H new ATOM 707 N HIS B 66 19.308 -21.858 -13.637 1.00 0.00 N ATOM 708 CA HIS B 66 19.277 -20.679 -14.496 1.00 0.00 C ATOM 709 C HIS B 66 18.286 -20.867 -15.641 1.00 0.00 C ATOM 710 O HIS B 66 18.616 -21.454 -16.672 1.00 0.00 O ATOM 711 CB HIS B 66 20.671 -20.393 -15.055 1.00 0.00 C ATOM 712 CG HIS B 66 21.121 -18.980 -14.846 1.00 0.00 C ATOM 713 ND1 HIS B 66 22.187 -18.641 -14.039 1.00 0.00 N ATOM 714 CD2 HIS B 66 20.645 -17.816 -15.347 1.00 0.00 C ATOM 715 CE1 HIS B 66 22.345 -17.329 -14.051 1.00 0.00 C ATOM 716 NE2 HIS B 66 21.422 -16.805 -14.838 1.00 0.00 N ATOM 0 H HIS B 66 20.160 -22.413 -13.713 1.00 0.00 H new ATOM 0 HA HIS B 66 18.953 -19.830 -13.894 1.00 0.00 H new ATOM 0 HB2 HIS B 66 21.387 -21.067 -14.585 1.00 0.00 H new ATOM 0 HB3 HIS B 66 20.678 -20.614 -16.122 1.00 0.00 H new ATOM 0 HD2 HIS B 66 19.809 -17.704 -16.022 1.00 0.00 H new ATOM 0 HE1 HIS B 66 23.100 -16.779 -13.510 1.00 0.00 H new ATOM 0 HE2 HIS B 66 21.306 -15.811 -15.035 1.00 0.00 H new ATOM 724 N HIS B 67 17.070 -20.365 -15.453 1.00 0.00 N ATOM 725 CA HIS B 67 16.030 -20.477 -16.470 1.00 0.00 C ATOM 726 C HIS B 67 14.740 -19.809 -16.005 1.00 0.00 C ATOM 727 O HIS B 67 13.642 -20.274 -16.311 1.00 0.00 O ATOM 728 CB HIS B 67 15.767 -21.947 -16.799 1.00 0.00 C ATOM 729 CG HIS B 67 15.691 -22.227 -18.269 1.00 0.00 C ATOM 730 ND1 HIS B 67 16.709 -22.835 -18.973 1.00 0.00 N ATOM 731 CD2 HIS B 67 14.709 -21.980 -19.167 1.00 0.00 C ATOM 732 CE1 HIS B 67 16.357 -22.948 -20.241 1.00 0.00 C ATOM 733 NE2 HIS B 67 15.148 -22.438 -20.385 1.00 0.00 N ATOM 0 H HIS B 67 16.780 -19.877 -14.606 1.00 0.00 H new ATOM 0 HA HIS B 67 16.378 -19.967 -17.368 1.00 0.00 H new ATOM 0 HB2 HIS B 67 16.558 -22.556 -16.362 1.00 0.00 H new ATOM 0 HB3 HIS B 67 14.832 -22.254 -16.330 1.00 0.00 H new ATOM 0 HD2 HIS B 67 13.758 -21.510 -18.964 1.00 0.00 H new ATOM 0 HE1 HIS B 67 16.957 -23.384 -21.027 1.00 0.00 H new ATOM 0 HE2 HIS B 67 14.625 -22.392 -21.259 1.00 0.00 H new ATOM 741 N PHE B 68 14.881 -18.715 -15.263 1.00 0.00 N ATOM 742 CA PHE B 68 13.726 -17.983 -14.754 1.00 0.00 C ATOM 743 C PHE B 68 12.779 -17.605 -15.889 1.00 0.00 C ATOM 744 O PHE B 68 13.109 -17.756 -17.065 1.00 0.00 O ATOM 745 CB PHE B 68 14.181 -16.724 -14.013 1.00 0.00 C ATOM 746 CG PHE B 68 13.462 -16.501 -12.713 1.00 0.00 C ATOM 747 CD1 PHE B 68 13.701 -17.324 -11.625 1.00 0.00 C ATOM 748 CD2 PHE B 68 12.547 -15.469 -12.580 1.00 0.00 C ATOM 749 CE1 PHE B 68 13.042 -17.122 -10.427 1.00 0.00 C ATOM 750 CE2 PHE B 68 11.885 -15.262 -11.385 1.00 0.00 C ATOM 751 CZ PHE B 68 12.132 -16.090 -10.307 1.00 0.00 C ATOM 0 H PHE B 68 15.782 -18.316 -15.001 1.00 0.00 H new ATOM 0 HA PHE B 68 13.192 -18.632 -14.060 1.00 0.00 H new ATOM 0 HB2 PHE B 68 15.252 -16.793 -13.820 1.00 0.00 H new ATOM 0 HB3 PHE B 68 14.028 -15.858 -14.657 1.00 0.00 H new ATOM 0 HD1 PHE B 68 14.411 -18.133 -11.714 1.00 0.00 H new ATOM 0 HD2 PHE B 68 12.349 -14.819 -13.420 1.00 0.00 H new ATOM 0 HE1 PHE B 68 13.238 -17.770 -9.586 1.00 0.00 H new ATOM 0 HE2 PHE B 68 11.175 -14.453 -11.294 1.00 0.00 H new ATOM 0 HZ PHE B 68 11.615 -15.931 -9.372 1.00 0.00 H new ATOM 761 N SER B 69 11.598 -17.114 -15.526 1.00 0.00 N ATOM 762 CA SER B 69 10.600 -16.718 -16.513 1.00 0.00 C ATOM 763 C SER B 69 11.167 -15.676 -17.472 1.00 0.00 C ATOM 764 O SER B 69 12.292 -15.208 -17.302 1.00 0.00 O ATOM 765 CB SER B 69 9.356 -16.162 -15.816 1.00 0.00 C ATOM 766 OG SER B 69 8.911 -17.037 -14.794 1.00 0.00 O ATOM 0 H SER B 69 11.309 -16.981 -14.557 1.00 0.00 H new ATOM 0 HA SER B 69 10.323 -17.602 -17.087 1.00 0.00 H new ATOM 0 HB2 SER B 69 9.580 -15.184 -15.390 1.00 0.00 H new ATOM 0 HB3 SER B 69 8.560 -16.016 -16.547 1.00 0.00 H new ATOM 0 HG SER B 69 8.116 -16.659 -14.363 1.00 0.00 H new ATOM 772 N GLU B 70 10.378 -15.318 -18.481 1.00 0.00 N ATOM 773 CA GLU B 70 10.802 -14.332 -19.468 1.00 0.00 C ATOM 774 C GLU B 70 9.811 -13.175 -19.542 1.00 0.00 C ATOM 775 O GLU B 70 9.023 -13.058 -20.481 1.00 0.00 O ATOM 776 CB GLU B 70 10.945 -14.985 -20.845 1.00 0.00 C ATOM 777 CG GLU B 70 12.082 -15.988 -20.928 1.00 0.00 C ATOM 778 CD GLU B 70 11.643 -17.398 -20.580 1.00 0.00 C ATOM 779 OE1 GLU B 70 10.812 -17.961 -21.322 1.00 0.00 O ATOM 780 OE2 GLU B 70 12.132 -17.937 -19.565 1.00 0.00 O ATOM 0 H GLU B 70 9.443 -15.696 -18.636 1.00 0.00 H new ATOM 0 HA GLU B 70 11.770 -13.939 -19.158 1.00 0.00 H new ATOM 0 HB2 GLU B 70 10.011 -15.486 -21.099 1.00 0.00 H new ATOM 0 HB3 GLU B 70 11.103 -14.207 -21.592 1.00 0.00 H new ATOM 0 HG2 GLU B 70 12.497 -15.979 -21.936 1.00 0.00 H new ATOM 0 HG3 GLU B 70 12.881 -15.683 -20.252 1.00 0.00 H new ATOM 787 N PRO B 71 9.849 -12.298 -18.527 1.00 0.00 N ATOM 788 CA PRO B 71 8.961 -11.134 -18.453 1.00 0.00 C ATOM 789 C PRO B 71 9.295 -10.081 -19.504 1.00 0.00 C ATOM 790 O PRO B 71 10.426 -9.601 -19.576 1.00 0.00 O ATOM 791 CB PRO B 71 9.213 -10.584 -17.047 1.00 0.00 C ATOM 792 CG PRO B 71 10.588 -11.041 -16.703 1.00 0.00 C ATOM 793 CD PRO B 71 10.762 -12.375 -17.375 1.00 0.00 C ATOM 0 HA PRO B 71 7.922 -11.403 -18.641 1.00 0.00 H new ATOM 0 HB2 PRO B 71 9.141 -9.497 -17.028 1.00 0.00 H new ATOM 0 HB3 PRO B 71 8.480 -10.964 -16.336 1.00 0.00 H new ATOM 0 HG2 PRO B 71 11.335 -10.328 -17.052 1.00 0.00 H new ATOM 0 HG3 PRO B 71 10.711 -11.129 -15.624 1.00 0.00 H new ATOM 0 HD2 PRO B 71 11.793 -12.535 -17.690 1.00 0.00 H new ATOM 0 HD3 PRO B 71 10.501 -13.198 -16.709 1.00 0.00 H new ATOM 801 N GLU B 72 8.305 -9.728 -20.318 1.00 0.00 N ATOM 802 CA GLU B 72 8.496 -8.732 -21.366 1.00 0.00 C ATOM 803 C GLU B 72 7.177 -8.416 -22.063 1.00 0.00 C ATOM 804 O GLU B 72 6.712 -7.275 -22.048 1.00 0.00 O ATOM 805 CB GLU B 72 9.521 -9.226 -22.389 1.00 0.00 C ATOM 806 CG GLU B 72 9.593 -8.369 -23.641 1.00 0.00 C ATOM 807 CD GLU B 72 11.014 -8.168 -24.130 1.00 0.00 C ATOM 808 OE1 GLU B 72 11.913 -7.987 -23.281 1.00 0.00 O ATOM 809 OE2 GLU B 72 11.228 -8.191 -25.360 1.00 0.00 O ATOM 0 H GLU B 72 7.363 -10.117 -20.272 1.00 0.00 H new ATOM 0 HA GLU B 72 8.869 -7.819 -20.901 1.00 0.00 H new ATOM 0 HB2 GLU B 72 10.505 -9.254 -21.921 1.00 0.00 H new ATOM 0 HB3 GLU B 72 9.274 -10.249 -22.673 1.00 0.00 H new ATOM 0 HG2 GLU B 72 9.004 -8.836 -24.430 1.00 0.00 H new ATOM 0 HG3 GLU B 72 9.142 -7.398 -23.438 1.00 0.00 H new ATOM 816 N ILE B 73 6.578 -9.433 -22.674 1.00 0.00 N ATOM 817 CA ILE B 73 5.313 -9.263 -23.377 1.00 0.00 C ATOM 818 C ILE B 73 4.307 -8.501 -22.521 1.00 0.00 C ATOM 819 O ILE B 73 3.714 -7.517 -22.966 1.00 0.00 O ATOM 820 CB ILE B 73 4.705 -10.621 -23.777 1.00 0.00 C ATOM 821 CG1 ILE B 73 5.717 -11.440 -24.580 1.00 0.00 C ATOM 822 CG2 ILE B 73 3.428 -10.414 -24.577 1.00 0.00 C ATOM 823 CD1 ILE B 73 6.244 -12.647 -23.836 1.00 0.00 C ATOM 0 H ILE B 73 6.949 -10.383 -22.696 1.00 0.00 H new ATOM 0 HA ILE B 73 5.527 -8.690 -24.279 1.00 0.00 H new ATOM 0 HB ILE B 73 4.457 -11.173 -22.871 1.00 0.00 H new ATOM 0 HG12 ILE B 73 5.250 -11.771 -25.508 1.00 0.00 H new ATOM 0 HG13 ILE B 73 6.554 -10.799 -24.855 1.00 0.00 H new ATOM 0 HG21 ILE B 73 3.010 -11.382 -24.852 1.00 0.00 H new ATOM 0 HG22 ILE B 73 2.705 -9.865 -23.973 1.00 0.00 H new ATOM 0 HG23 ILE B 73 3.652 -9.846 -25.480 1.00 0.00 H new ATOM 0 HD11 ILE B 73 6.956 -13.180 -24.466 1.00 0.00 H new ATOM 0 HD12 ILE B 73 6.740 -12.323 -22.921 1.00 0.00 H new ATOM 0 HD13 ILE B 73 5.416 -13.309 -23.584 1.00 0.00 H new ATOM 835 N THR B 74 4.118 -8.961 -21.288 1.00 0.00 N ATOM 836 CA THR B 74 3.185 -8.322 -20.368 1.00 0.00 C ATOM 837 C THR B 74 3.414 -6.816 -20.310 1.00 0.00 C ATOM 838 O THR B 74 2.474 -6.030 -20.435 1.00 0.00 O ATOM 839 CB THR B 74 3.309 -8.904 -18.947 1.00 0.00 C ATOM 840 OG1 THR B 74 3.039 -10.310 -18.968 1.00 0.00 O ATOM 841 CG2 THR B 74 2.348 -8.212 -17.993 1.00 0.00 C ATOM 0 H THR B 74 4.599 -9.774 -20.903 1.00 0.00 H new ATOM 0 HA THR B 74 2.182 -8.520 -20.747 1.00 0.00 H new ATOM 0 HB THR B 74 4.327 -8.735 -18.597 1.00 0.00 H new ATOM 0 HG1 THR B 74 2.185 -10.486 -18.521 1.00 0.00 H new ATOM 0 HG21 THR B 74 2.454 -8.640 -16.996 1.00 0.00 H new ATOM 0 HG22 THR B 74 2.575 -7.147 -17.957 1.00 0.00 H new ATOM 0 HG23 THR B 74 1.325 -8.353 -18.342 1.00 0.00 H new ATOM 849 N LEU B 75 4.667 -6.420 -20.120 1.00 0.00 N ATOM 850 CA LEU B 75 5.020 -5.006 -20.046 1.00 0.00 C ATOM 851 C LEU B 75 4.556 -4.264 -21.295 1.00 0.00 C ATOM 852 O LEU B 75 3.922 -3.212 -21.204 1.00 0.00 O ATOM 853 CB LEU B 75 6.531 -4.846 -19.875 1.00 0.00 C ATOM 854 CG LEU B 75 7.082 -5.127 -18.476 1.00 0.00 C ATOM 855 CD1 LEU B 75 7.290 -6.620 -18.275 1.00 0.00 C ATOM 856 CD2 LEU B 75 8.383 -4.370 -18.253 1.00 0.00 C ATOM 0 H LEU B 75 5.456 -7.058 -20.014 1.00 0.00 H new ATOM 0 HA LEU B 75 4.516 -4.575 -19.181 1.00 0.00 H new ATOM 0 HB2 LEU B 75 7.029 -5.512 -20.580 1.00 0.00 H new ATOM 0 HB3 LEU B 75 6.802 -3.827 -20.153 1.00 0.00 H new ATOM 0 HG LEU B 75 6.354 -4.780 -17.743 1.00 0.00 H new ATOM 0 HD11 LEU B 75 7.682 -6.801 -17.274 1.00 0.00 H new ATOM 0 HD12 LEU B 75 6.338 -7.139 -18.391 1.00 0.00 H new ATOM 0 HD13 LEU B 75 7.999 -6.992 -19.015 1.00 0.00 H new ATOM 0 HD21 LEU B 75 8.760 -4.582 -17.253 1.00 0.00 H new ATOM 0 HD22 LEU B 75 9.119 -4.685 -18.993 1.00 0.00 H new ATOM 0 HD23 LEU B 75 8.203 -3.300 -18.354 1.00 0.00 H new ATOM 868 N ILE B 76 4.876 -4.818 -22.459 1.00 0.00 N ATOM 869 CA ILE B 76 4.489 -4.209 -23.726 1.00 0.00 C ATOM 870 C ILE B 76 2.981 -3.998 -23.797 1.00 0.00 C ATOM 871 O ILE B 76 2.511 -2.930 -24.189 1.00 0.00 O ATOM 872 CB ILE B 76 4.932 -5.071 -24.923 1.00 0.00 C ATOM 873 CG1 ILE B 76 6.421 -5.409 -24.814 1.00 0.00 C ATOM 874 CG2 ILE B 76 4.642 -4.351 -26.231 1.00 0.00 C ATOM 875 CD1 ILE B 76 7.310 -4.190 -24.706 1.00 0.00 C ATOM 0 H ILE B 76 5.402 -5.687 -22.552 1.00 0.00 H new ATOM 0 HA ILE B 76 4.991 -3.243 -23.778 1.00 0.00 H new ATOM 0 HB ILE B 76 4.365 -6.002 -24.910 1.00 0.00 H new ATOM 0 HG12 ILE B 76 6.579 -6.042 -23.941 1.00 0.00 H new ATOM 0 HG13 ILE B 76 6.719 -5.990 -25.687 1.00 0.00 H new ATOM 0 HG21 ILE B 76 4.961 -4.973 -27.067 1.00 0.00 H new ATOM 0 HG22 ILE B 76 3.572 -4.157 -26.310 1.00 0.00 H new ATOM 0 HG23 ILE B 76 5.185 -3.406 -26.254 1.00 0.00 H new ATOM 0 HD11 ILE B 76 8.351 -4.504 -24.632 1.00 0.00 H new ATOM 0 HD12 ILE B 76 7.181 -3.566 -25.591 1.00 0.00 H new ATOM 0 HD13 ILE B 76 7.039 -3.620 -23.817 1.00 0.00 H new ATOM 887 N ILE B 77 2.227 -5.023 -23.413 1.00 0.00 N ATOM 888 CA ILE B 77 0.771 -4.948 -23.430 1.00 0.00 C ATOM 889 C ILE B 77 0.263 -3.912 -22.433 1.00 0.00 C ATOM 890 O ILE B 77 -0.541 -3.045 -22.777 1.00 0.00 O ATOM 891 CB ILE B 77 0.134 -6.312 -23.106 1.00 0.00 C ATOM 892 CG1 ILE B 77 0.486 -7.334 -24.189 1.00 0.00 C ATOM 893 CG2 ILE B 77 -1.375 -6.173 -22.972 1.00 0.00 C ATOM 894 CD1 ILE B 77 -0.185 -7.062 -25.517 1.00 0.00 C ATOM 0 H ILE B 77 2.600 -5.914 -23.087 1.00 0.00 H new ATOM 0 HA ILE B 77 0.481 -4.651 -24.438 1.00 0.00 H new ATOM 0 HB ILE B 77 0.533 -6.666 -22.155 1.00 0.00 H new ATOM 0 HG12 ILE B 77 1.567 -7.342 -24.332 1.00 0.00 H new ATOM 0 HG13 ILE B 77 0.202 -8.329 -23.845 1.00 0.00 H new ATOM 0 HG21 ILE B 77 -1.811 -7.145 -22.743 1.00 0.00 H new ATOM 0 HG22 ILE B 77 -1.606 -5.473 -22.169 1.00 0.00 H new ATOM 0 HG23 ILE B 77 -1.791 -5.800 -23.908 1.00 0.00 H new ATOM 0 HD11 ILE B 77 0.110 -7.826 -26.237 1.00 0.00 H new ATOM 0 HD12 ILE B 77 -1.267 -7.083 -25.389 1.00 0.00 H new ATOM 0 HD13 ILE B 77 0.118 -6.081 -25.884 1.00 0.00 H new ATOM 906 N PHE B 78 0.737 -4.008 -21.195 1.00 0.00 N ATOM 907 CA PHE B 78 0.331 -3.079 -20.147 1.00 0.00 C ATOM 908 C PHE B 78 0.577 -1.635 -20.575 1.00 0.00 C ATOM 909 O PHE B 78 -0.304 -0.784 -20.462 1.00 0.00 O ATOM 910 CB PHE B 78 1.089 -3.375 -18.851 1.00 0.00 C ATOM 911 CG PHE B 78 0.840 -2.366 -17.767 1.00 0.00 C ATOM 912 CD1 PHE B 78 -0.326 -2.408 -17.018 1.00 0.00 C ATOM 913 CD2 PHE B 78 1.771 -1.377 -17.495 1.00 0.00 C ATOM 914 CE1 PHE B 78 -0.558 -1.481 -16.020 1.00 0.00 C ATOM 915 CE2 PHE B 78 1.544 -0.447 -16.498 1.00 0.00 C ATOM 916 CZ PHE B 78 0.378 -0.500 -15.759 1.00 0.00 C ATOM 0 H PHE B 78 1.402 -4.720 -20.893 1.00 0.00 H new ATOM 0 HA PHE B 78 -0.737 -3.211 -19.973 1.00 0.00 H new ATOM 0 HB2 PHE B 78 0.803 -4.363 -18.490 1.00 0.00 H new ATOM 0 HB3 PHE B 78 2.157 -3.411 -19.064 1.00 0.00 H new ATOM 0 HD1 PHE B 78 -1.061 -3.174 -17.217 1.00 0.00 H new ATOM 0 HD2 PHE B 78 2.685 -1.332 -18.069 1.00 0.00 H new ATOM 0 HE1 PHE B 78 -1.471 -1.524 -15.444 1.00 0.00 H new ATOM 0 HE2 PHE B 78 2.277 0.320 -16.297 1.00 0.00 H new ATOM 0 HZ PHE B 78 0.199 0.225 -14.978 1.00 0.00 H new ATOM 926 N GLY B 79 1.783 -1.367 -21.066 1.00 0.00 N ATOM 927 CA GLY B 79 2.125 -0.025 -21.503 1.00 0.00 C ATOM 928 C GLY B 79 1.150 0.516 -22.530 1.00 0.00 C ATOM 929 O GLY B 79 0.580 1.592 -22.349 1.00 0.00 O ATOM 0 H GLY B 79 2.529 -2.055 -21.169 1.00 0.00 H new ATOM 0 HA2 GLY B 79 2.146 0.641 -20.640 1.00 0.00 H new ATOM 0 HA3 GLY B 79 3.129 -0.029 -21.927 1.00 0.00 H new ATOM 933 N VAL B 80 0.959 -0.231 -23.613 1.00 0.00 N ATOM 934 CA VAL B 80 0.047 0.181 -24.674 1.00 0.00 C ATOM 935 C VAL B 80 -1.380 0.310 -24.152 1.00 0.00 C ATOM 936 O VAL B 80 -2.132 1.184 -24.583 1.00 0.00 O ATOM 937 CB VAL B 80 0.064 -0.817 -25.847 1.00 0.00 C ATOM 938 CG1 VAL B 80 -0.841 -0.336 -26.971 1.00 0.00 C ATOM 939 CG2 VAL B 80 1.486 -1.025 -26.348 1.00 0.00 C ATOM 0 H VAL B 80 1.423 -1.124 -23.779 1.00 0.00 H new ATOM 0 HA VAL B 80 0.391 1.153 -25.028 1.00 0.00 H new ATOM 0 HB VAL B 80 -0.316 -1.775 -25.492 1.00 0.00 H new ATOM 0 HG11 VAL B 80 -0.816 -1.054 -27.791 1.00 0.00 H new ATOM 0 HG12 VAL B 80 -1.862 -0.243 -26.601 1.00 0.00 H new ATOM 0 HG13 VAL B 80 -0.494 0.634 -27.327 1.00 0.00 H new ATOM 0 HG21 VAL B 80 1.480 -1.733 -27.177 1.00 0.00 H new ATOM 0 HG22 VAL B 80 1.895 -0.073 -26.687 1.00 0.00 H new ATOM 0 HG23 VAL B 80 2.103 -1.418 -25.540 1.00 0.00 H new ATOM 949 N MET B 81 -1.746 -0.566 -23.222 1.00 0.00 N ATOM 950 CA MET B 81 -3.083 -0.548 -22.640 1.00 0.00 C ATOM 951 C MET B 81 -3.305 0.723 -21.826 1.00 0.00 C ATOM 952 O MET B 81 -4.321 1.399 -21.979 1.00 0.00 O ATOM 953 CB MET B 81 -3.293 -1.778 -21.754 1.00 0.00 C ATOM 954 CG MET B 81 -3.575 -3.050 -22.538 1.00 0.00 C ATOM 955 SD MET B 81 -5.306 -3.199 -23.021 1.00 0.00 S ATOM 956 CE MET B 81 -5.160 -3.194 -24.806 1.00 0.00 C ATOM 0 H MET B 81 -1.136 -1.297 -22.855 1.00 0.00 H new ATOM 0 HA MET B 81 -3.807 -0.567 -23.455 1.00 0.00 H new ATOM 0 HB2 MET B 81 -2.406 -1.929 -21.139 1.00 0.00 H new ATOM 0 HB3 MET B 81 -4.123 -1.588 -21.074 1.00 0.00 H new ATOM 0 HG2 MET B 81 -2.950 -3.068 -23.431 1.00 0.00 H new ATOM 0 HG3 MET B 81 -3.294 -3.914 -21.935 1.00 0.00 H new ATOM 0 HE1 MET B 81 -6.151 -3.280 -25.252 1.00 0.00 H new ATOM 0 HE2 MET B 81 -4.695 -2.263 -25.130 1.00 0.00 H new ATOM 0 HE3 MET B 81 -4.545 -4.036 -25.123 1.00 0.00 H new ATOM 966 N ALA B 82 -2.347 1.041 -20.962 1.00 0.00 N ATOM 967 CA ALA B 82 -2.437 2.232 -20.126 1.00 0.00 C ATOM 968 C ALA B 82 -2.383 3.501 -20.970 1.00 0.00 C ATOM 969 O ALA B 82 -3.178 4.420 -20.778 1.00 0.00 O ATOM 970 CB ALA B 82 -1.322 2.236 -19.091 1.00 0.00 C ATOM 0 H ALA B 82 -1.500 0.491 -20.823 1.00 0.00 H new ATOM 0 HA ALA B 82 -3.397 2.211 -19.610 1.00 0.00 H new ATOM 0 HB1 ALA B 82 -1.402 3.131 -18.474 1.00 0.00 H new ATOM 0 HB2 ALA B 82 -1.408 1.351 -18.460 1.00 0.00 H new ATOM 0 HB3 ALA B 82 -0.356 2.229 -19.596 1.00 0.00 H new ATOM 976 N GLY B 83 -1.438 3.544 -21.904 1.00 0.00 N ATOM 977 CA GLY B 83 -1.297 4.706 -22.763 1.00 0.00 C ATOM 978 C GLY B 83 -2.539 4.969 -23.590 1.00 0.00 C ATOM 979 O GLY B 83 -3.053 6.088 -23.613 1.00 0.00 O ATOM 0 H GLY B 83 -0.768 2.796 -22.081 1.00 0.00 H new ATOM 0 HA2 GLY B 83 -1.079 5.582 -22.152 1.00 0.00 H new ATOM 0 HA3 GLY B 83 -0.445 4.561 -23.428 1.00 0.00 H new ATOM 983 N VAL B 84 -3.023 3.937 -24.274 1.00 0.00 N ATOM 984 CA VAL B 84 -4.213 4.062 -25.107 1.00 0.00 C ATOM 985 C VAL B 84 -5.388 4.616 -24.309 1.00 0.00 C ATOM 986 O VAL B 84 -5.951 5.655 -24.654 1.00 0.00 O ATOM 987 CB VAL B 84 -4.615 2.707 -25.718 1.00 0.00 C ATOM 988 CG1 VAL B 84 -6.021 2.777 -26.295 1.00 0.00 C ATOM 989 CG2 VAL B 84 -3.614 2.284 -26.783 1.00 0.00 C ATOM 0 H VAL B 84 -2.609 3.005 -24.268 1.00 0.00 H new ATOM 0 HA VAL B 84 -3.965 4.755 -25.911 1.00 0.00 H new ATOM 0 HB VAL B 84 -4.609 1.956 -24.928 1.00 0.00 H new ATOM 0 HG11 VAL B 84 -6.287 1.810 -26.722 1.00 0.00 H new ATOM 0 HG12 VAL B 84 -6.727 3.031 -25.504 1.00 0.00 H new ATOM 0 HG13 VAL B 84 -6.058 3.540 -27.073 1.00 0.00 H new ATOM 0 HG21 VAL B 84 -3.914 1.324 -27.204 1.00 0.00 H new ATOM 0 HG22 VAL B 84 -3.585 3.034 -27.574 1.00 0.00 H new ATOM 0 HG23 VAL B 84 -2.624 2.190 -26.336 1.00 0.00 H new ATOM 999 N ILE B 85 -5.752 3.916 -23.240 1.00 0.00 N ATOM 1000 CA ILE B 85 -6.859 4.339 -22.391 1.00 0.00 C ATOM 1001 C ILE B 85 -6.648 5.760 -21.880 1.00 0.00 C ATOM 1002 O ILE B 85 -7.586 6.554 -21.817 1.00 0.00 O ATOM 1003 CB ILE B 85 -7.038 3.394 -21.188 1.00 0.00 C ATOM 1004 CG1 ILE B 85 -7.279 1.962 -21.668 1.00 0.00 C ATOM 1005 CG2 ILE B 85 -8.188 3.866 -20.311 1.00 0.00 C ATOM 1006 CD1 ILE B 85 -7.093 0.922 -20.584 1.00 0.00 C ATOM 0 H ILE B 85 -5.297 3.054 -22.941 1.00 0.00 H new ATOM 0 HA ILE B 85 -7.759 4.306 -23.006 1.00 0.00 H new ATOM 0 HB ILE B 85 -6.124 3.408 -20.594 1.00 0.00 H new ATOM 0 HG12 ILE B 85 -8.292 1.886 -22.064 1.00 0.00 H new ATOM 0 HG13 ILE B 85 -6.598 1.744 -22.491 1.00 0.00 H new ATOM 0 HG21 ILE B 85 -8.302 3.188 -19.465 1.00 0.00 H new ATOM 0 HG22 ILE B 85 -7.978 4.871 -19.945 1.00 0.00 H new ATOM 0 HG23 ILE B 85 -9.109 3.877 -20.894 1.00 0.00 H new ATOM 0 HD11 ILE B 85 -7.280 -0.070 -20.995 1.00 0.00 H new ATOM 0 HD12 ILE B 85 -6.073 0.971 -20.204 1.00 0.00 H new ATOM 0 HD13 ILE B 85 -7.793 1.115 -19.771 1.00 0.00 H new ATOM 1018 N GLY B 86 -5.408 6.076 -21.518 1.00 0.00 N ATOM 1019 CA GLY B 86 -5.096 7.402 -21.019 1.00 0.00 C ATOM 1020 C GLY B 86 -5.421 8.490 -22.023 1.00 0.00 C ATOM 1021 O GLY B 86 -6.123 9.451 -21.705 1.00 0.00 O ATOM 0 H GLY B 86 -4.614 5.437 -21.562 1.00 0.00 H new ATOM 0 HA2 GLY B 86 -5.654 7.582 -20.100 1.00 0.00 H new ATOM 0 HA3 GLY B 86 -4.037 7.451 -20.764 1.00 0.00 H new ATOM 1025 N THR B 87 -4.908 8.343 -23.241 1.00 0.00 N ATOM 1026 CA THR B 87 -5.145 9.322 -24.294 1.00 0.00 C ATOM 1027 C THR B 87 -6.637 9.512 -24.542 1.00 0.00 C ATOM 1028 O THR B 87 -7.114 10.639 -24.677 1.00 0.00 O ATOM 1029 CB THR B 87 -4.466 8.905 -25.612 1.00 0.00 C ATOM 1030 OG1 THR B 87 -3.172 8.353 -25.344 1.00 0.00 O ATOM 1031 CG2 THR B 87 -4.330 10.094 -26.551 1.00 0.00 C ATOM 0 H THR B 87 -4.325 7.554 -23.522 1.00 0.00 H new ATOM 0 HA THR B 87 -4.713 10.263 -23.954 1.00 0.00 H new ATOM 0 HB THR B 87 -5.090 8.151 -26.093 1.00 0.00 H new ATOM 0 HG1 THR B 87 -2.800 8.767 -24.537 1.00 0.00 H new ATOM 0 HG21 THR B 87 -3.848 9.775 -27.475 1.00 0.00 H new ATOM 0 HG22 THR B 87 -5.318 10.494 -26.777 1.00 0.00 H new ATOM 0 HG23 THR B 87 -3.726 10.867 -26.075 1.00 0.00 H new ATOM 1039 N ILE B 88 -7.368 8.404 -24.601 1.00 0.00 N ATOM 1040 CA ILE B 88 -8.807 8.450 -24.831 1.00 0.00 C ATOM 1041 C ILE B 88 -9.497 9.354 -23.815 1.00 0.00 C ATOM 1042 O ILE B 88 -10.259 10.250 -24.181 1.00 0.00 O ATOM 1043 CB ILE B 88 -9.433 7.045 -24.761 1.00 0.00 C ATOM 1044 CG1 ILE B 88 -8.801 6.129 -25.810 1.00 0.00 C ATOM 1045 CG2 ILE B 88 -10.940 7.127 -24.960 1.00 0.00 C ATOM 1046 CD1 ILE B 88 -8.919 4.658 -25.478 1.00 0.00 C ATOM 0 H ILE B 88 -6.988 7.464 -24.493 1.00 0.00 H new ATOM 0 HA ILE B 88 -8.954 8.855 -25.832 1.00 0.00 H new ATOM 0 HB ILE B 88 -9.238 6.625 -23.774 1.00 0.00 H new ATOM 0 HG12 ILE B 88 -9.274 6.314 -26.775 1.00 0.00 H new ATOM 0 HG13 ILE B 88 -7.747 6.386 -25.917 1.00 0.00 H new ATOM 0 HG21 ILE B 88 -11.369 6.126 -24.908 1.00 0.00 H new ATOM 0 HG22 ILE B 88 -11.377 7.750 -24.179 1.00 0.00 H new ATOM 0 HG23 ILE B 88 -11.155 7.564 -25.935 1.00 0.00 H new ATOM 0 HD11 ILE B 88 -8.449 4.068 -26.265 1.00 0.00 H new ATOM 0 HD12 ILE B 88 -8.421 4.458 -24.529 1.00 0.00 H new ATOM 0 HD13 ILE B 88 -9.972 4.386 -25.400 1.00 0.00 H new ATOM 1058 N LEU B 89 -9.225 9.113 -22.537 1.00 0.00 N ATOM 1059 CA LEU B 89 -9.819 9.907 -21.466 1.00 0.00 C ATOM 1060 C LEU B 89 -9.512 11.389 -21.652 1.00 0.00 C ATOM 1061 O LEU B 89 -10.416 12.225 -21.660 1.00 0.00 O ATOM 1062 CB LEU B 89 -9.300 9.433 -20.107 1.00 0.00 C ATOM 1063 CG LEU B 89 -9.890 8.124 -19.582 1.00 0.00 C ATOM 1064 CD1 LEU B 89 -9.014 7.547 -18.481 1.00 0.00 C ATOM 1065 CD2 LEU B 89 -11.309 8.343 -19.077 1.00 0.00 C ATOM 0 H LEU B 89 -8.598 8.375 -22.217 1.00 0.00 H new ATOM 0 HA LEU B 89 -10.900 9.772 -21.503 1.00 0.00 H new ATOM 0 HB2 LEU B 89 -8.218 9.320 -20.173 1.00 0.00 H new ATOM 0 HB3 LEU B 89 -9.494 10.216 -19.373 1.00 0.00 H new ATOM 0 HG LEU B 89 -9.924 7.408 -20.403 1.00 0.00 H new ATOM 0 HD11 LEU B 89 -9.450 6.616 -18.120 1.00 0.00 H new ATOM 0 HD12 LEU B 89 -8.016 7.352 -18.874 1.00 0.00 H new ATOM 0 HD13 LEU B 89 -8.947 8.259 -17.659 1.00 0.00 H new ATOM 0 HD21 LEU B 89 -11.713 7.401 -18.707 1.00 0.00 H new ATOM 0 HD22 LEU B 89 -11.299 9.075 -18.270 1.00 0.00 H new ATOM 0 HD23 LEU B 89 -11.933 8.710 -19.892 1.00 0.00 H new ATOM 1077 N LEU B 90 -8.231 11.708 -21.803 1.00 0.00 N ATOM 1078 CA LEU B 90 -7.804 13.090 -21.991 1.00 0.00 C ATOM 1079 C LEU B 90 -8.486 13.710 -23.207 1.00 0.00 C ATOM 1080 O LEU B 90 -9.059 14.796 -23.123 1.00 0.00 O ATOM 1081 CB LEU B 90 -6.284 13.157 -22.155 1.00 0.00 C ATOM 1082 CG LEU B 90 -5.461 12.884 -20.896 1.00 0.00 C ATOM 1083 CD1 LEU B 90 -4.067 12.400 -21.265 1.00 0.00 C ATOM 1084 CD2 LEU B 90 -5.382 14.133 -20.030 1.00 0.00 C ATOM 0 H LEU B 90 -7.470 11.028 -21.799 1.00 0.00 H new ATOM 0 HA LEU B 90 -8.093 13.657 -21.106 1.00 0.00 H new ATOM 0 HB2 LEU B 90 -5.989 12.439 -22.920 1.00 0.00 H new ATOM 0 HB3 LEU B 90 -6.022 14.147 -22.529 1.00 0.00 H new ATOM 0 HG LEU B 90 -5.956 12.100 -20.323 1.00 0.00 H new ATOM 0 HD11 LEU B 90 -3.495 12.211 -20.357 1.00 0.00 H new ATOM 0 HD12 LEU B 90 -4.143 11.480 -21.844 1.00 0.00 H new ATOM 0 HD13 LEU B 90 -3.563 13.162 -21.859 1.00 0.00 H new ATOM 0 HD21 LEU B 90 -4.793 13.921 -19.138 1.00 0.00 H new ATOM 0 HD22 LEU B 90 -4.910 14.937 -20.594 1.00 0.00 H new ATOM 0 HD23 LEU B 90 -6.387 14.437 -19.737 1.00 0.00 H new ATOM 1096 N ILE B 91 -8.422 13.011 -24.335 1.00 0.00 N ATOM 1097 CA ILE B 91 -9.036 13.491 -25.567 1.00 0.00 C ATOM 1098 C ILE B 91 -10.514 13.801 -25.359 1.00 0.00 C ATOM 1099 O ILE B 91 -10.998 14.862 -25.754 1.00 0.00 O ATOM 1100 CB ILE B 91 -8.894 12.462 -26.705 1.00 0.00 C ATOM 1101 CG1 ILE B 91 -7.440 12.389 -27.177 1.00 0.00 C ATOM 1102 CG2 ILE B 91 -9.815 12.822 -27.861 1.00 0.00 C ATOM 1103 CD1 ILE B 91 -6.951 13.665 -27.825 1.00 0.00 C ATOM 0 H ILE B 91 -7.951 12.110 -24.421 1.00 0.00 H new ATOM 0 HA ILE B 91 -8.511 14.404 -25.847 1.00 0.00 H new ATOM 0 HB ILE B 91 -9.183 11.481 -26.328 1.00 0.00 H new ATOM 0 HG12 ILE B 91 -6.801 12.156 -26.325 1.00 0.00 H new ATOM 0 HG13 ILE B 91 -7.338 11.568 -27.887 1.00 0.00 H new ATOM 0 HG21 ILE B 91 -9.704 12.086 -28.658 1.00 0.00 H new ATOM 0 HG22 ILE B 91 -10.848 12.828 -27.514 1.00 0.00 H new ATOM 0 HG23 ILE B 91 -9.554 13.810 -28.240 1.00 0.00 H new ATOM 0 HD11 ILE B 91 -5.913 13.541 -28.135 1.00 0.00 H new ATOM 0 HD12 ILE B 91 -7.566 13.889 -28.697 1.00 0.00 H new ATOM 0 HD13 ILE B 91 -7.021 14.486 -27.111 1.00 0.00 H new ATOM 1115 N SER B 92 -11.227 12.869 -24.734 1.00 0.00 N ATOM 1116 CA SER B 92 -12.652 13.043 -24.475 1.00 0.00 C ATOM 1117 C SER B 92 -12.911 14.336 -23.709 1.00 0.00 C ATOM 1118 O SER B 92 -13.964 14.957 -23.855 1.00 0.00 O ATOM 1119 CB SER B 92 -13.197 11.851 -23.686 1.00 0.00 C ATOM 1120 OG SER B 92 -14.605 11.756 -23.812 1.00 0.00 O ATOM 0 H SER B 92 -10.842 11.986 -24.398 1.00 0.00 H new ATOM 0 HA SER B 92 -13.166 13.101 -25.434 1.00 0.00 H new ATOM 0 HB2 SER B 92 -12.734 10.932 -24.044 1.00 0.00 H new ATOM 0 HB3 SER B 92 -12.929 11.954 -22.634 1.00 0.00 H new ATOM 0 HG SER B 92 -14.928 10.985 -23.300 1.00 0.00 H new ATOM 1126 N TYR B 93 -11.943 14.736 -22.891 1.00 0.00 N ATOM 1127 CA TYR B 93 -12.067 15.954 -22.099 1.00 0.00 C ATOM 1128 C TYR B 93 -11.934 17.192 -22.980 1.00 0.00 C ATOM 1129 O TYR B 93 -12.626 18.189 -22.778 1.00 0.00 O ATOM 1130 CB TYR B 93 -11.005 15.980 -20.998 1.00 0.00 C ATOM 1131 CG TYR B 93 -11.311 16.959 -19.886 1.00 0.00 C ATOM 1132 CD1 TYR B 93 -12.476 16.849 -19.138 1.00 0.00 C ATOM 1133 CD2 TYR B 93 -10.433 17.992 -19.584 1.00 0.00 C ATOM 1134 CE1 TYR B 93 -12.759 17.741 -18.122 1.00 0.00 C ATOM 1135 CE2 TYR B 93 -10.707 18.888 -18.568 1.00 0.00 C ATOM 1136 CZ TYR B 93 -11.871 18.759 -17.841 1.00 0.00 C ATOM 1137 OH TYR B 93 -12.149 19.648 -16.828 1.00 0.00 O ATOM 0 H TYR B 93 -11.065 14.235 -22.759 1.00 0.00 H new ATOM 0 HA TYR B 93 -13.056 15.962 -21.641 1.00 0.00 H new ATOM 0 HB2 TYR B 93 -10.908 14.980 -20.574 1.00 0.00 H new ATOM 0 HB3 TYR B 93 -10.041 16.234 -21.440 1.00 0.00 H new ATOM 0 HD1 TYR B 93 -13.173 16.052 -19.354 1.00 0.00 H new ATOM 0 HD2 TYR B 93 -9.521 18.097 -20.153 1.00 0.00 H new ATOM 0 HE1 TYR B 93 -13.670 17.642 -17.551 1.00 0.00 H new ATOM 0 HE2 TYR B 93 -10.013 19.685 -18.345 1.00 0.00 H new ATOM 0 HH TYR B 93 -11.423 20.302 -16.759 1.00 0.00 H new ATOM 1147 N GLY B 94 -11.038 17.121 -23.959 1.00 0.00 N ATOM 1148 CA GLY B 94 -10.829 18.241 -24.857 1.00 0.00 C ATOM 1149 C GLY B 94 -12.057 18.554 -25.690 1.00 0.00 C ATOM 1150 O GLY B 94 -12.330 19.715 -25.994 1.00 0.00 O ATOM 0 H GLY B 94 -10.453 16.307 -24.146 1.00 0.00 H new ATOM 0 HA2 GLY B 94 -10.554 19.122 -24.277 1.00 0.00 H new ATOM 0 HA3 GLY B 94 -9.991 18.021 -25.519 1.00 0.00 H new ATOM 1154 N ILE B 95 -12.798 17.515 -26.061 1.00 0.00 N ATOM 1155 CA ILE B 95 -14.003 17.685 -26.863 1.00 0.00 C ATOM 1156 C ILE B 95 -15.070 18.457 -26.096 1.00 0.00 C ATOM 1157 O ILE B 95 -15.873 19.180 -26.687 1.00 0.00 O ATOM 1158 CB ILE B 95 -14.583 16.327 -27.301 1.00 0.00 C ATOM 1159 CG1 ILE B 95 -13.560 15.556 -28.137 1.00 0.00 C ATOM 1160 CG2 ILE B 95 -15.871 16.530 -28.086 1.00 0.00 C ATOM 1161 CD1 ILE B 95 -13.958 14.122 -28.407 1.00 0.00 C ATOM 0 H ILE B 95 -12.585 16.547 -25.819 1.00 0.00 H new ATOM 0 HA ILE B 95 -13.715 18.251 -27.749 1.00 0.00 H new ATOM 0 HB ILE B 95 -14.811 15.742 -26.410 1.00 0.00 H new ATOM 0 HG12 ILE B 95 -13.418 16.070 -29.088 1.00 0.00 H new ATOM 0 HG13 ILE B 95 -12.599 15.567 -27.622 1.00 0.00 H new ATOM 0 HG21 ILE B 95 -16.269 15.562 -28.389 1.00 0.00 H new ATOM 0 HG22 ILE B 95 -16.601 17.043 -27.460 1.00 0.00 H new ATOM 0 HG23 ILE B 95 -15.666 17.131 -28.972 1.00 0.00 H new ATOM 0 HD11 ILE B 95 -13.186 13.637 -29.005 1.00 0.00 H new ATOM 0 HD12 ILE B 95 -14.072 13.592 -27.461 1.00 0.00 H new ATOM 0 HD13 ILE B 95 -14.903 14.103 -28.950 1.00 0.00 H new ATOM 1173 N ARG B 96 -15.072 18.301 -24.776 1.00 0.00 N ATOM 1174 CA ARG B 96 -16.040 18.985 -23.927 1.00 0.00 C ATOM 1175 C ARG B 96 -15.685 20.462 -23.778 1.00 0.00 C ATOM 1176 O ARG B 96 -16.549 21.332 -23.887 1.00 0.00 O ATOM 1177 CB ARG B 96 -16.100 18.322 -22.550 1.00 0.00 C ATOM 1178 CG ARG B 96 -17.500 18.268 -21.960 1.00 0.00 C ATOM 1179 CD ARG B 96 -17.813 19.516 -21.150 1.00 0.00 C ATOM 1180 NE ARG B 96 -18.961 19.323 -20.268 1.00 0.00 N ATOM 1181 CZ ARG B 96 -18.939 18.543 -19.193 1.00 0.00 C ATOM 1182 NH1 ARG B 96 -17.833 17.887 -18.868 1.00 0.00 N ATOM 1183 NH2 ARG B 96 -20.024 18.419 -18.440 1.00 0.00 N ATOM 0 H ARG B 96 -14.414 17.707 -24.271 1.00 0.00 H new ATOM 0 HA ARG B 96 -17.019 18.911 -24.401 1.00 0.00 H new ATOM 0 HB2 ARG B 96 -15.708 17.308 -22.627 1.00 0.00 H new ATOM 0 HB3 ARG B 96 -15.447 18.865 -21.866 1.00 0.00 H new ATOM 0 HG2 ARG B 96 -18.230 18.161 -22.762 1.00 0.00 H new ATOM 0 HG3 ARG B 96 -17.594 17.388 -21.324 1.00 0.00 H new ATOM 0 HD2 ARG B 96 -16.941 19.790 -20.556 1.00 0.00 H new ATOM 0 HD3 ARG B 96 -18.012 20.347 -21.827 1.00 0.00 H new ATOM 0 HE ARG B 96 -19.827 19.814 -20.490 1.00 0.00 H new ATOM 0 HH11 ARG B 96 -16.996 17.981 -19.444 1.00 0.00 H new ATOM 0 HH12 ARG B 96 -17.819 17.289 -18.042 1.00 0.00 H new ATOM 0 HH21 ARG B 96 -20.876 18.923 -18.686 1.00 0.00 H new ATOM 0 HH22 ARG B 96 -20.006 17.820 -17.615 1.00 0.00 H new ATOM 1197 N ARG B 97 -14.410 20.736 -23.527 1.00 0.00 N ATOM 1198 CA ARG B 97 -13.941 22.107 -23.361 1.00 0.00 C ATOM 1199 C ARG B 97 -14.707 22.811 -22.245 1.00 0.00 C ATOM 1200 O ARG B 97 -14.796 24.040 -22.218 1.00 0.00 O ATOM 1201 CB ARG B 97 -14.096 22.883 -24.670 1.00 0.00 C ATOM 1202 CG ARG B 97 -12.819 23.569 -25.126 1.00 0.00 C ATOM 1203 CD ARG B 97 -12.476 24.755 -24.237 1.00 0.00 C ATOM 1204 NE ARG B 97 -11.362 25.535 -24.771 1.00 0.00 N ATOM 1205 CZ ARG B 97 -11.494 26.440 -25.734 1.00 0.00 C ATOM 1206 NH1 ARG B 97 -12.685 26.678 -26.267 1.00 0.00 N ATOM 1207 NH2 ARG B 97 -10.433 27.109 -26.167 1.00 0.00 N ATOM 0 H ARG B 97 -13.682 20.027 -23.434 1.00 0.00 H new ATOM 0 HA ARG B 97 -12.886 22.074 -23.089 1.00 0.00 H new ATOM 0 HB2 ARG B 97 -14.430 22.199 -25.451 1.00 0.00 H new ATOM 0 HB3 ARG B 97 -14.878 23.633 -24.548 1.00 0.00 H new ATOM 0 HG2 ARG B 97 -11.996 22.854 -25.114 1.00 0.00 H new ATOM 0 HG3 ARG B 97 -12.934 23.906 -26.156 1.00 0.00 H new ATOM 0 HD2 ARG B 97 -13.351 25.396 -24.134 1.00 0.00 H new ATOM 0 HD3 ARG B 97 -12.223 24.399 -23.238 1.00 0.00 H new ATOM 0 HE ARG B 97 -10.432 25.376 -24.383 1.00 0.00 H new ATOM 0 HH11 ARG B 97 -13.503 26.165 -25.937 1.00 0.00 H new ATOM 0 HH12 ARG B 97 -12.783 27.374 -27.006 1.00 0.00 H new ATOM 0 HH21 ARG B 97 -9.515 26.928 -25.760 1.00 0.00 H new ATOM 0 HH22 ARG B 97 -10.535 27.804 -26.907 1.00 0.00 H new ATOM 1221 N LEU B 98 -15.259 22.027 -21.326 1.00 0.00 N ATOM 1222 CA LEU B 98 -16.018 22.575 -20.207 1.00 0.00 C ATOM 1223 C LEU B 98 -17.074 23.561 -20.697 1.00 0.00 C ATOM 1224 O LEU B 98 -17.631 23.401 -21.783 1.00 0.00 O ATOM 1225 CB LEU B 98 -15.078 23.266 -19.218 1.00 0.00 C ATOM 1226 CG LEU B 98 -15.733 23.850 -17.966 1.00 0.00 C ATOM 1227 CD1 LEU B 98 -16.569 22.793 -17.259 1.00 0.00 C ATOM 1228 CD2 LEU B 98 -14.679 24.414 -17.025 1.00 0.00 C ATOM 0 H LEU B 98 -15.195 21.009 -21.333 1.00 0.00 H new ATOM 0 HA LEU B 98 -16.523 21.751 -19.703 1.00 0.00 H new ATOM 0 HB2 LEU B 98 -14.320 22.548 -18.906 1.00 0.00 H new ATOM 0 HB3 LEU B 98 -14.560 24.070 -19.741 1.00 0.00 H new ATOM 0 HG LEU B 98 -16.392 24.663 -18.270 1.00 0.00 H new ATOM 0 HD11 LEU B 98 -17.028 23.226 -16.370 1.00 0.00 H new ATOM 0 HD12 LEU B 98 -17.348 22.436 -17.932 1.00 0.00 H new ATOM 0 HD13 LEU B 98 -15.931 21.959 -16.968 1.00 0.00 H new ATOM 0 HD21 LEU B 98 -15.164 24.825 -16.140 1.00 0.00 H new ATOM 0 HD22 LEU B 98 -13.994 23.620 -16.728 1.00 0.00 H new ATOM 0 HD23 LEU B 98 -14.122 25.202 -17.532 1.00 0.00 H new TER 1240 LEU B 98