USER MOD reduce.3.24.130724 H: found=0, std=0, add=644, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 642 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 63 GLN : amide:sc= -0.574 X(o=-1.3,f=-1.5) USER MOD Set 1.2: A 66 HIS : no HD1:sc= -0.707 X(o=-1.3,f=-1.2) USER MOD Single : A 67 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 69 SER OG : rot 21:sc= 1.21 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 -49:sc= -2.49! USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : B 63 GLN : amide:sc= -0.494 X(o=-0.49,f=-0.56) USER MOD Single : B 66 HIS : no HD1:sc= -0.147 X(o=-0.15,f=-0.34) USER MOD Single : B 67 HIS : no HD1:sc= -0.202 K(o=-0.2,f=-0.77) USER MOD Single : B 69 SER OG : rot 180:sc= 0.257 USER MOD Single : B 74 THR OG1 : rot 180:sc= 0 USER MOD Single : B 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 87 THR OG1 : rot -39:sc= -2.48! 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 0.899 -15.739 -10.552 1.00 0.00 N ATOM 2 CA ARG A 61 0.711 -17.161 -10.814 1.00 0.00 C ATOM 3 C ARG A 61 1.740 -17.994 -10.056 1.00 0.00 C ATOM 4 O ARG A 61 1.501 -19.159 -9.741 1.00 0.00 O ATOM 5 CB ARG A 61 0.814 -17.444 -12.313 1.00 0.00 C ATOM 6 CG ARG A 61 -0.334 -16.865 -13.123 1.00 0.00 C ATOM 7 CD ARG A 61 -0.342 -17.406 -14.544 1.00 0.00 C ATOM 8 NE ARG A 61 0.920 -17.153 -15.233 1.00 0.00 N ATOM 9 CZ ARG A 61 1.249 -15.978 -15.759 1.00 0.00 C ATOM 10 NH1 ARG A 61 0.412 -14.953 -15.674 1.00 0.00 N ATOM 11 NH2 ARG A 61 2.416 -15.827 -16.370 1.00 0.00 N ATOM 0 HA ARG A 61 -0.284 -17.440 -10.467 1.00 0.00 H new ATOM 0 HB2 ARG A 61 1.753 -17.037 -12.687 1.00 0.00 H new ATOM 0 HB3 ARG A 61 0.850 -18.522 -12.469 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -1.280 -17.103 -12.637 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -0.252 -15.778 -13.147 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -0.534 -18.479 -14.522 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -1.158 -16.947 -15.102 1.00 0.00 H new ATOM 0 HE ARG A 61 1.586 -17.921 -15.315 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -0.486 -15.066 -15.204 1.00 0.00 H new ATOM 0 HH12 ARG A 61 0.667 -14.052 -16.078 1.00 0.00 H new ATOM 0 HH21 ARG A 61 3.062 -16.613 -16.437 1.00 0.00 H new ATOM 0 HH22 ARG A 61 2.667 -14.925 -16.773 1.00 0.00 H new ATOM 25 N VAL A 62 2.888 -17.387 -9.767 1.00 0.00 N ATOM 26 CA VAL A 62 3.954 -18.072 -9.046 1.00 0.00 C ATOM 27 C VAL A 62 4.986 -17.081 -8.519 1.00 0.00 C ATOM 28 O VAL A 62 5.196 -16.020 -9.105 1.00 0.00 O ATOM 29 CB VAL A 62 4.662 -19.107 -9.941 1.00 0.00 C ATOM 30 CG1 VAL A 62 5.403 -18.414 -11.074 1.00 0.00 C ATOM 31 CG2 VAL A 62 5.612 -19.962 -9.116 1.00 0.00 C ATOM 0 H VAL A 62 3.103 -16.423 -10.021 1.00 0.00 H new ATOM 0 HA VAL A 62 3.488 -18.587 -8.206 1.00 0.00 H new ATOM 0 HB VAL A 62 3.908 -19.761 -10.379 1.00 0.00 H new ATOM 0 HG11 VAL A 62 5.897 -19.161 -11.696 1.00 0.00 H new ATOM 0 HG12 VAL A 62 4.695 -17.848 -11.680 1.00 0.00 H new ATOM 0 HG13 VAL A 62 6.149 -17.736 -10.660 1.00 0.00 H new ATOM 0 HG21 VAL A 62 6.104 -20.688 -9.764 1.00 0.00 H new ATOM 0 HG22 VAL A 62 6.363 -19.325 -8.649 1.00 0.00 H new ATOM 0 HG23 VAL A 62 5.051 -20.487 -8.343 1.00 0.00 H new ATOM 41 N GLN A 63 5.626 -17.436 -7.410 1.00 0.00 N ATOM 42 CA GLN A 63 6.637 -16.577 -6.804 1.00 0.00 C ATOM 43 C GLN A 63 6.028 -15.251 -6.357 1.00 0.00 C ATOM 44 O GLN A 63 5.076 -14.758 -6.964 1.00 0.00 O ATOM 45 CB GLN A 63 7.777 -16.321 -7.791 1.00 0.00 C ATOM 46 CG GLN A 63 8.679 -15.164 -7.391 1.00 0.00 C ATOM 47 CD GLN A 63 9.860 -14.995 -8.327 1.00 0.00 C ATOM 48 OE1 GLN A 63 10.784 -15.808 -8.332 1.00 0.00 O ATOM 49 NE2 GLN A 63 9.835 -13.935 -9.126 1.00 0.00 N ATOM 0 H GLN A 63 5.463 -18.312 -6.913 1.00 0.00 H new ATOM 0 HA GLN A 63 7.033 -17.088 -5.927 1.00 0.00 H new ATOM 0 HB2 GLN A 63 8.378 -17.226 -7.881 1.00 0.00 H new ATOM 0 HB3 GLN A 63 7.356 -16.119 -8.776 1.00 0.00 H new ATOM 0 HG2 GLN A 63 8.097 -14.243 -7.376 1.00 0.00 H new ATOM 0 HG3 GLN A 63 9.044 -15.327 -6.377 1.00 0.00 H new ATOM 0 HE21 GLN A 63 9.049 -13.286 -9.088 1.00 0.00 H new ATOM 0 HE22 GLN A 63 10.602 -13.769 -9.777 1.00 0.00 H new ATOM 58 N LEU A 64 6.582 -14.680 -5.294 1.00 0.00 N ATOM 59 CA LEU A 64 6.094 -13.411 -4.765 1.00 0.00 C ATOM 60 C LEU A 64 7.103 -12.799 -3.799 1.00 0.00 C ATOM 61 O LEU A 64 7.876 -13.512 -3.159 1.00 0.00 O ATOM 62 CB LEU A 64 4.752 -13.613 -4.059 1.00 0.00 C ATOM 63 CG LEU A 64 4.775 -14.506 -2.817 1.00 0.00 C ATOM 64 CD1 LEU A 64 3.808 -13.983 -1.766 1.00 0.00 C ATOM 65 CD2 LEU A 64 4.438 -15.943 -3.188 1.00 0.00 C ATOM 0 H LEU A 64 7.370 -15.075 -4.781 1.00 0.00 H new ATOM 0 HA LEU A 64 5.958 -12.725 -5.601 1.00 0.00 H new ATOM 0 HB2 LEU A 64 4.364 -12.636 -3.772 1.00 0.00 H new ATOM 0 HB3 LEU A 64 4.048 -14.038 -4.775 1.00 0.00 H new ATOM 0 HG LEU A 64 5.781 -14.487 -2.397 1.00 0.00 H new ATOM 0 HD11 LEU A 64 3.838 -14.631 -0.890 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.095 -12.971 -1.479 1.00 0.00 H new ATOM 0 HD13 LEU A 64 2.798 -13.972 -2.175 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.459 -16.564 -2.293 1.00 0.00 H new ATOM 0 HD22 LEU A 64 3.443 -15.980 -3.632 1.00 0.00 H new ATOM 0 HD23 LEU A 64 5.170 -16.315 -3.905 1.00 0.00 H new ATOM 77 N ALA A 65 7.089 -11.474 -3.698 1.00 0.00 N ATOM 78 CA ALA A 65 8.000 -10.766 -2.807 1.00 0.00 C ATOM 79 C ALA A 65 9.426 -10.793 -3.346 1.00 0.00 C ATOM 80 O ALA A 65 10.390 -10.758 -2.581 1.00 0.00 O ATOM 81 CB ALA A 65 7.949 -11.370 -1.412 1.00 0.00 C ATOM 0 H ALA A 65 6.457 -10.869 -4.222 1.00 0.00 H new ATOM 0 HA ALA A 65 7.680 -9.725 -2.752 1.00 0.00 H new ATOM 0 HB1 ALA A 65 8.634 -10.832 -0.757 1.00 0.00 H new ATOM 0 HB2 ALA A 65 6.935 -11.293 -1.019 1.00 0.00 H new ATOM 0 HB3 ALA A 65 8.241 -12.419 -1.459 1.00 0.00 H new ATOM 87 N HIS A 66 9.553 -10.856 -4.668 1.00 0.00 N ATOM 88 CA HIS A 66 10.863 -10.888 -5.309 1.00 0.00 C ATOM 89 C HIS A 66 11.512 -9.507 -5.289 1.00 0.00 C ATOM 90 O HIS A 66 10.842 -8.498 -5.064 1.00 0.00 O ATOM 91 CB HIS A 66 10.737 -11.384 -6.750 1.00 0.00 C ATOM 92 CG HIS A 66 11.716 -12.461 -7.100 1.00 0.00 C ATOM 93 ND1 HIS A 66 11.951 -13.556 -6.295 1.00 0.00 N ATOM 94 CD2 HIS A 66 12.521 -12.610 -8.178 1.00 0.00 C ATOM 95 CE1 HIS A 66 12.860 -14.329 -6.861 1.00 0.00 C ATOM 96 NE2 HIS A 66 13.222 -13.778 -8.005 1.00 0.00 N ATOM 0 H HIS A 66 8.765 -10.886 -5.316 1.00 0.00 H new ATOM 0 HA HIS A 66 11.497 -11.576 -4.750 1.00 0.00 H new ATOM 0 HB2 HIS A 66 9.726 -11.758 -6.910 1.00 0.00 H new ATOM 0 HB3 HIS A 66 10.877 -10.543 -7.429 1.00 0.00 H new ATOM 0 HD2 HIS A 66 12.598 -11.936 -9.018 1.00 0.00 H new ATOM 0 HE1 HIS A 66 13.242 -15.255 -6.457 1.00 0.00 H new ATOM 0 HE2 HIS A 66 13.910 -14.158 -8.655 1.00 0.00 H new ATOM 104 N HIS A 67 12.819 -9.469 -5.525 1.00 0.00 N ATOM 105 CA HIS A 67 13.558 -8.212 -5.534 1.00 0.00 C ATOM 106 C HIS A 67 12.881 -7.189 -6.442 1.00 0.00 C ATOM 107 O HIS A 67 12.982 -7.268 -7.666 1.00 0.00 O ATOM 108 CB HIS A 67 14.998 -8.445 -5.994 1.00 0.00 C ATOM 109 CG HIS A 67 15.920 -8.861 -4.889 1.00 0.00 C ATOM 110 ND1 HIS A 67 16.533 -7.962 -4.043 1.00 0.00 N ATOM 111 CD2 HIS A 67 16.330 -10.088 -4.494 1.00 0.00 C ATOM 112 CE1 HIS A 67 17.283 -8.618 -3.175 1.00 0.00 C ATOM 113 NE2 HIS A 67 17.176 -9.911 -3.427 1.00 0.00 N ATOM 0 H HIS A 67 13.388 -10.294 -5.713 1.00 0.00 H new ATOM 0 HA HIS A 67 13.568 -7.819 -4.517 1.00 0.00 H new ATOM 0 HB2 HIS A 67 15.004 -9.212 -6.769 1.00 0.00 H new ATOM 0 HB3 HIS A 67 15.378 -7.530 -6.448 1.00 0.00 H new ATOM 0 HD2 HIS A 67 16.045 -11.031 -4.936 1.00 0.00 H new ATOM 0 HE1 HIS A 67 17.881 -8.174 -2.393 1.00 0.00 H new ATOM 0 HE2 HIS A 67 17.645 -10.656 -2.913 1.00 0.00 H new ATOM 121 N PHE A 68 12.189 -6.231 -5.833 1.00 0.00 N ATOM 122 CA PHE A 68 11.493 -5.195 -6.586 1.00 0.00 C ATOM 123 C PHE A 68 12.447 -4.484 -7.542 1.00 0.00 C ATOM 124 O PHE A 68 13.556 -4.107 -7.163 1.00 0.00 O ATOM 125 CB PHE A 68 10.859 -4.181 -5.633 1.00 0.00 C ATOM 126 CG PHE A 68 11.755 -3.787 -4.493 1.00 0.00 C ATOM 127 CD1 PHE A 68 12.768 -2.860 -4.680 1.00 0.00 C ATOM 128 CD2 PHE A 68 11.584 -4.343 -3.236 1.00 0.00 C ATOM 129 CE1 PHE A 68 13.594 -2.496 -3.633 1.00 0.00 C ATOM 130 CE2 PHE A 68 12.407 -3.983 -2.186 1.00 0.00 C ATOM 131 CZ PHE A 68 13.413 -3.058 -2.384 1.00 0.00 C ATOM 0 H PHE A 68 12.096 -6.151 -4.820 1.00 0.00 H new ATOM 0 HA PHE A 68 10.708 -5.672 -7.172 1.00 0.00 H new ATOM 0 HB2 PHE A 68 10.586 -3.288 -6.195 1.00 0.00 H new ATOM 0 HB3 PHE A 68 9.936 -4.600 -5.231 1.00 0.00 H new ATOM 0 HD1 PHE A 68 12.914 -2.417 -5.654 1.00 0.00 H new ATOM 0 HD2 PHE A 68 10.798 -5.066 -3.075 1.00 0.00 H new ATOM 0 HE1 PHE A 68 14.380 -1.773 -3.791 1.00 0.00 H new ATOM 0 HE2 PHE A 68 12.264 -4.425 -1.211 1.00 0.00 H new ATOM 0 HZ PHE A 68 14.057 -2.775 -1.564 1.00 0.00 H new ATOM 141 N SER A 69 12.007 -4.304 -8.783 1.00 0.00 N ATOM 142 CA SER A 69 12.823 -3.643 -9.795 1.00 0.00 C ATOM 143 C SER A 69 11.991 -3.310 -11.030 1.00 0.00 C ATOM 144 O SER A 69 10.783 -3.541 -11.058 1.00 0.00 O ATOM 145 CB SER A 69 14.006 -4.529 -10.187 1.00 0.00 C ATOM 146 OG SER A 69 15.063 -4.412 -9.251 1.00 0.00 O ATOM 0 H SER A 69 11.090 -4.607 -9.112 1.00 0.00 H new ATOM 0 HA SER A 69 13.201 -2.713 -9.370 1.00 0.00 H new ATOM 0 HB2 SER A 69 13.682 -5.568 -10.246 1.00 0.00 H new ATOM 0 HB3 SER A 69 14.361 -4.249 -11.179 1.00 0.00 H new ATOM 0 HG SER A 69 14.713 -4.064 -8.404 1.00 0.00 H new ATOM 152 N GLU A 70 12.649 -2.765 -12.049 1.00 0.00 N ATOM 153 CA GLU A 70 11.970 -2.400 -13.287 1.00 0.00 C ATOM 154 C GLU A 70 12.957 -2.333 -14.449 1.00 0.00 C ATOM 155 O GLU A 70 13.226 -1.270 -15.008 1.00 0.00 O ATOM 156 CB GLU A 70 11.262 -1.053 -13.128 1.00 0.00 C ATOM 157 CG GLU A 70 9.904 -1.155 -12.454 1.00 0.00 C ATOM 158 CD GLU A 70 9.105 0.130 -12.553 1.00 0.00 C ATOM 159 OE1 GLU A 70 8.498 0.370 -13.618 1.00 0.00 O ATOM 160 OE2 GLU A 70 9.086 0.895 -11.566 1.00 0.00 O ATOM 0 H GLU A 70 13.650 -2.567 -12.042 1.00 0.00 H new ATOM 0 HA GLU A 70 11.229 -3.169 -13.505 1.00 0.00 H new ATOM 0 HB2 GLU A 70 11.897 -0.385 -12.547 1.00 0.00 H new ATOM 0 HB3 GLU A 70 11.137 -0.599 -14.111 1.00 0.00 H new ATOM 0 HG2 GLU A 70 9.337 -1.967 -12.909 1.00 0.00 H new ATOM 0 HG3 GLU A 70 10.042 -1.412 -11.404 1.00 0.00 H new ATOM 167 N PRO A 71 13.511 -3.496 -14.822 1.00 0.00 N ATOM 168 CA PRO A 71 14.476 -3.598 -15.920 1.00 0.00 C ATOM 169 C PRO A 71 13.833 -3.355 -17.282 1.00 0.00 C ATOM 170 O PRO A 71 14.475 -2.845 -18.199 1.00 0.00 O ATOM 171 CB PRO A 71 14.981 -5.039 -15.817 1.00 0.00 C ATOM 172 CG PRO A 71 13.877 -5.780 -15.146 1.00 0.00 C ATOM 173 CD PRO A 71 13.236 -4.803 -14.200 1.00 0.00 C ATOM 0 HA PRO A 71 15.264 -2.849 -15.840 1.00 0.00 H new ATOM 0 HB2 PRO A 71 15.196 -5.455 -16.802 1.00 0.00 H new ATOM 0 HB3 PRO A 71 15.904 -5.095 -15.239 1.00 0.00 H new ATOM 0 HG2 PRO A 71 13.155 -6.148 -15.875 1.00 0.00 H new ATOM 0 HG3 PRO A 71 14.260 -6.648 -14.610 1.00 0.00 H new ATOM 0 HD2 PRO A 71 12.166 -4.983 -14.100 1.00 0.00 H new ATOM 0 HD3 PRO A 71 13.665 -4.871 -13.200 1.00 0.00 H new ATOM 181 N GLU A 72 12.562 -3.724 -17.405 1.00 0.00 N ATOM 182 CA GLU A 72 11.833 -3.546 -18.655 1.00 0.00 C ATOM 183 C GLU A 72 11.332 -2.111 -18.793 1.00 0.00 C ATOM 184 O GLU A 72 10.370 -1.845 -19.515 1.00 0.00 O ATOM 185 CB GLU A 72 10.654 -4.519 -18.727 1.00 0.00 C ATOM 186 CG GLU A 72 11.067 -5.980 -18.682 1.00 0.00 C ATOM 187 CD GLU A 72 12.325 -6.256 -19.483 1.00 0.00 C ATOM 188 OE1 GLU A 72 13.427 -5.946 -18.985 1.00 0.00 O ATOM 189 OE2 GLU A 72 12.206 -6.783 -20.610 1.00 0.00 O ATOM 0 H GLU A 72 12.016 -4.148 -16.655 1.00 0.00 H new ATOM 0 HA GLU A 72 12.517 -3.754 -19.478 1.00 0.00 H new ATOM 0 HB2 GLU A 72 9.975 -4.316 -17.898 1.00 0.00 H new ATOM 0 HB3 GLU A 72 10.098 -4.336 -19.646 1.00 0.00 H new ATOM 0 HG2 GLU A 72 11.229 -6.276 -17.646 1.00 0.00 H new ATOM 0 HG3 GLU A 72 10.254 -6.596 -19.066 1.00 0.00 H new ATOM 196 N ILE A 73 11.991 -1.191 -18.097 1.00 0.00 N ATOM 197 CA ILE A 73 11.613 0.216 -18.142 1.00 0.00 C ATOM 198 C ILE A 73 11.355 0.670 -19.574 1.00 0.00 C ATOM 199 O ILE A 73 10.303 1.234 -19.879 1.00 0.00 O ATOM 200 CB ILE A 73 12.701 1.111 -17.520 1.00 0.00 C ATOM 201 CG1 ILE A 73 14.071 0.437 -17.629 1.00 0.00 C ATOM 202 CG2 ILE A 73 12.370 1.416 -16.067 1.00 0.00 C ATOM 203 CD1 ILE A 73 15.229 1.379 -17.384 1.00 0.00 C ATOM 0 H ILE A 73 12.789 -1.395 -17.495 1.00 0.00 H new ATOM 0 HA ILE A 73 10.696 0.315 -17.561 1.00 0.00 H new ATOM 0 HB ILE A 73 12.734 2.051 -18.070 1.00 0.00 H new ATOM 0 HG12 ILE A 73 14.122 -0.382 -16.912 1.00 0.00 H new ATOM 0 HG13 ILE A 73 14.173 -0.001 -18.622 1.00 0.00 H new ATOM 0 HG21 ILE A 73 13.148 2.049 -15.642 1.00 0.00 H new ATOM 0 HG22 ILE A 73 11.412 1.933 -16.013 1.00 0.00 H new ATOM 0 HG23 ILE A 73 12.312 0.485 -15.504 1.00 0.00 H new ATOM 0 HD11 ILE A 73 16.168 0.833 -17.477 1.00 0.00 H new ATOM 0 HD12 ILE A 73 15.203 2.185 -18.117 1.00 0.00 H new ATOM 0 HD13 ILE A 73 15.151 1.798 -16.381 1.00 0.00 H new ATOM 215 N THR A 74 12.320 0.418 -20.453 1.00 0.00 N ATOM 216 CA THR A 74 12.198 0.801 -21.854 1.00 0.00 C ATOM 217 C THR A 74 10.933 0.218 -22.474 1.00 0.00 C ATOM 218 O THR A 74 10.194 0.914 -23.171 1.00 0.00 O ATOM 219 CB THR A 74 13.418 0.337 -22.671 1.00 0.00 C ATOM 220 OG1 THR A 74 14.623 0.830 -22.076 1.00 0.00 O ATOM 221 CG2 THR A 74 13.322 0.822 -24.110 1.00 0.00 C ATOM 0 H THR A 74 13.195 -0.050 -20.219 1.00 0.00 H new ATOM 0 HA THR A 74 12.145 1.889 -21.882 1.00 0.00 H new ATOM 0 HB THR A 74 13.433 -0.753 -22.672 1.00 0.00 H new ATOM 0 HG1 THR A 74 15.394 0.529 -22.601 1.00 0.00 H new ATOM 0 HG21 THR A 74 14.195 0.482 -24.668 1.00 0.00 H new ATOM 0 HG22 THR A 74 12.419 0.421 -24.570 1.00 0.00 H new ATOM 0 HG23 THR A 74 13.284 1.911 -24.125 1.00 0.00 H new ATOM 229 N LEU A 75 10.690 -1.062 -22.216 1.00 0.00 N ATOM 230 CA LEU A 75 9.513 -1.739 -22.749 1.00 0.00 C ATOM 231 C LEU A 75 8.235 -1.014 -22.339 1.00 0.00 C ATOM 232 O LEU A 75 7.361 -0.759 -23.169 1.00 0.00 O ATOM 233 CB LEU A 75 9.469 -3.189 -22.262 1.00 0.00 C ATOM 234 CG LEU A 75 10.417 -4.162 -22.963 1.00 0.00 C ATOM 235 CD1 LEU A 75 10.269 -5.561 -22.385 1.00 0.00 C ATOM 236 CD2 LEU A 75 10.157 -4.172 -24.462 1.00 0.00 C ATOM 0 H LEU A 75 11.292 -1.652 -21.641 1.00 0.00 H new ATOM 0 HA LEU A 75 9.581 -1.730 -23.837 1.00 0.00 H new ATOM 0 HB2 LEU A 75 9.693 -3.200 -21.195 1.00 0.00 H new ATOM 0 HB3 LEU A 75 8.450 -3.559 -22.377 1.00 0.00 H new ATOM 0 HG LEU A 75 11.441 -3.828 -22.794 1.00 0.00 H new ATOM 0 HD11 LEU A 75 10.951 -6.240 -22.896 1.00 0.00 H new ATOM 0 HD12 LEU A 75 10.505 -5.542 -21.321 1.00 0.00 H new ATOM 0 HD13 LEU A 75 9.244 -5.905 -22.523 1.00 0.00 H new ATOM 0 HD21 LEU A 75 10.841 -4.870 -24.945 1.00 0.00 H new ATOM 0 HD22 LEU A 75 9.129 -4.481 -24.651 1.00 0.00 H new ATOM 0 HD23 LEU A 75 10.315 -3.172 -24.865 1.00 0.00 H new ATOM 248 N ILE A 76 8.134 -0.683 -21.057 1.00 0.00 N ATOM 249 CA ILE A 76 6.965 0.016 -20.538 1.00 0.00 C ATOM 250 C ILE A 76 6.730 1.324 -21.286 1.00 0.00 C ATOM 251 O ILE A 76 5.607 1.626 -21.691 1.00 0.00 O ATOM 252 CB ILE A 76 7.110 0.317 -19.035 1.00 0.00 C ATOM 253 CG1 ILE A 76 7.405 -0.970 -18.261 1.00 0.00 C ATOM 254 CG2 ILE A 76 5.849 0.983 -18.504 1.00 0.00 C ATOM 255 CD1 ILE A 76 6.295 -1.995 -18.347 1.00 0.00 C ATOM 0 H ILE A 76 8.848 -0.888 -20.358 1.00 0.00 H new ATOM 0 HA ILE A 76 6.111 -0.644 -20.687 1.00 0.00 H new ATOM 0 HB ILE A 76 7.946 1.003 -18.896 1.00 0.00 H new ATOM 0 HG12 ILE A 76 8.326 -1.411 -18.643 1.00 0.00 H new ATOM 0 HG13 ILE A 76 7.580 -0.723 -17.214 1.00 0.00 H new ATOM 0 HG21 ILE A 76 5.967 1.189 -17.440 1.00 0.00 H new ATOM 0 HG22 ILE A 76 5.679 1.918 -19.038 1.00 0.00 H new ATOM 0 HG23 ILE A 76 4.997 0.320 -18.653 1.00 0.00 H new ATOM 0 HD11 ILE A 76 6.573 -2.881 -17.775 1.00 0.00 H new ATOM 0 HD12 ILE A 76 5.377 -1.572 -17.938 1.00 0.00 H new ATOM 0 HD13 ILE A 76 6.135 -2.271 -19.389 1.00 0.00 H new ATOM 267 N ILE A 77 7.797 2.096 -21.467 1.00 0.00 N ATOM 268 CA ILE A 77 7.707 3.370 -22.169 1.00 0.00 C ATOM 269 C ILE A 77 7.294 3.168 -23.623 1.00 0.00 C ATOM 270 O ILE A 77 6.370 3.817 -24.113 1.00 0.00 O ATOM 271 CB ILE A 77 9.045 4.131 -22.128 1.00 0.00 C ATOM 272 CG1 ILE A 77 9.471 4.379 -20.680 1.00 0.00 C ATOM 273 CG2 ILE A 77 8.930 5.445 -22.885 1.00 0.00 C ATOM 274 CD1 ILE A 77 10.694 5.261 -20.552 1.00 0.00 C ATOM 0 H ILE A 77 8.733 1.861 -21.137 1.00 0.00 H new ATOM 0 HA ILE A 77 6.947 3.960 -21.656 1.00 0.00 H new ATOM 0 HB ILE A 77 9.808 3.521 -22.612 1.00 0.00 H new ATOM 0 HG12 ILE A 77 8.643 4.839 -20.140 1.00 0.00 H new ATOM 0 HG13 ILE A 77 9.672 3.421 -20.200 1.00 0.00 H new ATOM 0 HG21 ILE A 77 9.884 5.971 -22.847 1.00 0.00 H new ATOM 0 HG22 ILE A 77 8.667 5.245 -23.924 1.00 0.00 H new ATOM 0 HG23 ILE A 77 8.157 6.062 -22.428 1.00 0.00 H new ATOM 0 HD11 ILE A 77 10.938 5.394 -19.498 1.00 0.00 H new ATOM 0 HD12 ILE A 77 11.535 4.793 -21.063 1.00 0.00 H new ATOM 0 HD13 ILE A 77 10.491 6.233 -21.002 1.00 0.00 H new ATOM 286 N PHE A 78 7.984 2.262 -24.308 1.00 0.00 N ATOM 287 CA PHE A 78 7.689 1.974 -25.707 1.00 0.00 C ATOM 288 C PHE A 78 6.219 1.606 -25.888 1.00 0.00 C ATOM 289 O PHE A 78 5.541 2.129 -26.771 1.00 0.00 O ATOM 290 CB PHE A 78 8.577 0.835 -26.213 1.00 0.00 C ATOM 291 CG PHE A 78 8.167 0.308 -27.559 1.00 0.00 C ATOM 292 CD1 PHE A 78 8.657 0.882 -28.721 1.00 0.00 C ATOM 293 CD2 PHE A 78 7.292 -0.762 -27.661 1.00 0.00 C ATOM 294 CE1 PHE A 78 8.281 0.399 -29.960 1.00 0.00 C ATOM 295 CE2 PHE A 78 6.913 -1.249 -28.897 1.00 0.00 C ATOM 296 CZ PHE A 78 7.409 -0.669 -30.048 1.00 0.00 C ATOM 0 H PHE A 78 8.751 1.715 -23.917 1.00 0.00 H new ATOM 0 HA PHE A 78 7.895 2.873 -26.289 1.00 0.00 H new ATOM 0 HB2 PHE A 78 9.608 1.185 -26.267 1.00 0.00 H new ATOM 0 HB3 PHE A 78 8.555 0.019 -25.490 1.00 0.00 H new ATOM 0 HD1 PHE A 78 9.340 1.716 -28.658 1.00 0.00 H new ATOM 0 HD2 PHE A 78 6.902 -1.220 -26.764 1.00 0.00 H new ATOM 0 HE1 PHE A 78 8.668 0.856 -30.859 1.00 0.00 H new ATOM 0 HE2 PHE A 78 6.229 -2.083 -28.963 1.00 0.00 H new ATOM 0 HZ PHE A 78 7.116 -1.050 -31.015 1.00 0.00 H new ATOM 306 N GLY A 79 5.733 0.700 -25.044 1.00 0.00 N ATOM 307 CA GLY A 79 4.348 0.277 -25.127 1.00 0.00 C ATOM 308 C GLY A 79 3.379 1.439 -25.031 1.00 0.00 C ATOM 309 O GLY A 79 2.532 1.625 -25.904 1.00 0.00 O ATOM 0 H GLY A 79 6.274 0.252 -24.305 1.00 0.00 H new ATOM 0 HA2 GLY A 79 4.188 -0.249 -26.068 1.00 0.00 H new ATOM 0 HA3 GLY A 79 4.140 -0.433 -24.326 1.00 0.00 H new ATOM 313 N VAL A 80 3.504 2.224 -23.965 1.00 0.00 N ATOM 314 CA VAL A 80 2.632 3.374 -23.757 1.00 0.00 C ATOM 315 C VAL A 80 2.785 4.390 -24.882 1.00 0.00 C ATOM 316 O VAL A 80 1.821 5.049 -25.273 1.00 0.00 O ATOM 317 CB VAL A 80 2.926 4.065 -22.412 1.00 0.00 C ATOM 318 CG1 VAL A 80 1.950 5.207 -22.173 1.00 0.00 C ATOM 319 CG2 VAL A 80 2.871 3.059 -21.273 1.00 0.00 C ATOM 0 H VAL A 80 4.200 2.084 -23.233 1.00 0.00 H new ATOM 0 HA VAL A 80 1.609 2.998 -23.748 1.00 0.00 H new ATOM 0 HB VAL A 80 3.933 4.481 -22.450 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.174 5.683 -21.218 1.00 0.00 H new ATOM 0 HG12 VAL A 80 2.044 5.940 -22.974 1.00 0.00 H new ATOM 0 HG13 VAL A 80 0.932 4.818 -22.155 1.00 0.00 H new ATOM 0 HG21 VAL A 80 3.081 3.565 -20.331 1.00 0.00 H new ATOM 0 HG22 VAL A 80 1.878 2.611 -21.231 1.00 0.00 H new ATOM 0 HG23 VAL A 80 3.614 2.279 -21.440 1.00 0.00 H new ATOM 329 N MET A 81 4.003 4.513 -25.401 1.00 0.00 N ATOM 330 CA MET A 81 4.281 5.448 -26.484 1.00 0.00 C ATOM 331 C MET A 81 3.544 5.043 -27.756 1.00 0.00 C ATOM 332 O MET A 81 2.923 5.875 -28.416 1.00 0.00 O ATOM 333 CB MET A 81 5.786 5.517 -26.752 1.00 0.00 C ATOM 334 CG MET A 81 6.548 6.349 -25.733 1.00 0.00 C ATOM 335 SD MET A 81 6.485 8.115 -26.092 1.00 0.00 S ATOM 336 CE MET A 81 8.002 8.325 -27.022 1.00 0.00 C ATOM 0 H MET A 81 4.812 3.977 -25.089 1.00 0.00 H new ATOM 0 HA MET A 81 3.927 6.433 -26.180 1.00 0.00 H new ATOM 0 HB2 MET A 81 6.192 4.505 -26.759 1.00 0.00 H new ATOM 0 HB3 MET A 81 5.951 5.934 -27.745 1.00 0.00 H new ATOM 0 HG2 MET A 81 6.135 6.169 -24.741 1.00 0.00 H new ATOM 0 HG3 MET A 81 7.588 6.024 -25.709 1.00 0.00 H new ATOM 0 HE1 MET A 81 8.106 9.369 -27.317 1.00 0.00 H new ATOM 0 HE2 MET A 81 8.851 8.036 -26.403 1.00 0.00 H new ATOM 0 HE3 MET A 81 7.972 7.698 -27.913 1.00 0.00 H new ATOM 346 N ALA A 82 3.618 3.760 -28.094 1.00 0.00 N ATOM 347 CA ALA A 82 2.957 3.244 -29.286 1.00 0.00 C ATOM 348 C ALA A 82 1.440 3.334 -29.154 1.00 0.00 C ATOM 349 O ALA A 82 0.751 3.759 -30.080 1.00 0.00 O ATOM 350 CB ALA A 82 3.382 1.806 -29.545 1.00 0.00 C ATOM 0 H ALA A 82 4.130 3.059 -27.559 1.00 0.00 H new ATOM 0 HA ALA A 82 3.259 3.858 -30.134 1.00 0.00 H new ATOM 0 HB1 ALA A 82 2.880 1.434 -30.438 1.00 0.00 H new ATOM 0 HB2 ALA A 82 4.461 1.766 -29.692 1.00 0.00 H new ATOM 0 HB3 ALA A 82 3.109 1.186 -28.691 1.00 0.00 H new ATOM 356 N GLY A 83 0.926 2.929 -27.996 1.00 0.00 N ATOM 357 CA GLY A 83 -0.506 2.972 -27.766 1.00 0.00 C ATOM 358 C GLY A 83 -1.060 4.382 -27.814 1.00 0.00 C ATOM 359 O GLY A 83 -2.018 4.656 -28.537 1.00 0.00 O ATOM 0 H GLY A 83 1.475 2.572 -27.214 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -1.010 2.362 -28.516 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -0.728 2.531 -26.794 1.00 0.00 H new ATOM 363 N VAL A 84 -0.457 5.280 -27.042 1.00 0.00 N ATOM 364 CA VAL A 84 -0.895 6.670 -26.999 1.00 0.00 C ATOM 365 C VAL A 84 -0.958 7.269 -28.400 1.00 0.00 C ATOM 366 O VAL A 84 -2.011 7.732 -28.841 1.00 0.00 O ATOM 367 CB VAL A 84 0.040 7.527 -26.127 1.00 0.00 C ATOM 368 CG1 VAL A 84 -0.271 9.006 -26.303 1.00 0.00 C ATOM 369 CG2 VAL A 84 -0.073 7.121 -24.665 1.00 0.00 C ATOM 0 H VAL A 84 0.337 5.070 -26.437 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.893 6.674 -26.560 1.00 0.00 H new ATOM 0 HB VAL A 84 1.067 7.355 -26.450 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.400 9.596 -25.679 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.134 9.285 -27.348 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -1.303 9.198 -26.009 1.00 0.00 H new ATOM 0 HG21 VAL A 84 0.595 7.737 -24.064 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.100 7.262 -24.327 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.204 6.073 -24.556 1.00 0.00 H new ATOM 379 N ILE A 85 0.175 7.258 -29.093 1.00 0.00 N ATOM 380 CA ILE A 85 0.248 7.799 -30.445 1.00 0.00 C ATOM 381 C ILE A 85 -0.784 7.144 -31.356 1.00 0.00 C ATOM 382 O ILE A 85 -1.424 7.811 -32.168 1.00 0.00 O ATOM 383 CB ILE A 85 1.650 7.606 -31.053 1.00 0.00 C ATOM 384 CG1 ILE A 85 2.698 8.345 -30.219 1.00 0.00 C ATOM 385 CG2 ILE A 85 1.673 8.092 -32.495 1.00 0.00 C ATOM 386 CD1 ILE A 85 2.527 9.848 -30.228 1.00 0.00 C ATOM 0 H ILE A 85 1.055 6.881 -28.741 1.00 0.00 H new ATOM 0 HA ILE A 85 0.037 8.866 -30.370 1.00 0.00 H new ATOM 0 HB ILE A 85 1.891 6.543 -31.044 1.00 0.00 H new ATOM 0 HG12 ILE A 85 2.650 7.988 -29.190 1.00 0.00 H new ATOM 0 HG13 ILE A 85 3.691 8.098 -30.596 1.00 0.00 H new ATOM 0 HG21 ILE A 85 2.670 7.949 -32.911 1.00 0.00 H new ATOM 0 HG22 ILE A 85 0.950 7.525 -33.082 1.00 0.00 H new ATOM 0 HG23 ILE A 85 1.415 9.151 -32.526 1.00 0.00 H new ATOM 0 HD11 ILE A 85 3.304 10.306 -29.616 1.00 0.00 H new ATOM 0 HD12 ILE A 85 2.605 10.217 -31.251 1.00 0.00 H new ATOM 0 HD13 ILE A 85 1.548 10.105 -29.823 1.00 0.00 H new ATOM 398 N GLY A 86 -0.943 5.831 -31.214 1.00 0.00 N ATOM 399 CA GLY A 86 -1.900 5.108 -32.030 1.00 0.00 C ATOM 400 C GLY A 86 -3.318 5.610 -31.843 1.00 0.00 C ATOM 401 O GLY A 86 -4.000 5.945 -32.812 1.00 0.00 O ATOM 0 H GLY A 86 -0.426 5.256 -30.549 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -1.621 5.200 -33.080 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -1.857 4.048 -31.781 1.00 0.00 H new ATOM 405 N THR A 87 -3.766 5.662 -30.592 1.00 0.00 N ATOM 406 CA THR A 87 -5.113 6.124 -30.281 1.00 0.00 C ATOM 407 C THR A 87 -5.364 7.514 -30.855 1.00 0.00 C ATOM 408 O THR A 87 -6.431 7.784 -31.406 1.00 0.00 O ATOM 409 CB THR A 87 -5.358 6.157 -28.760 1.00 0.00 C ATOM 410 OG1 THR A 87 -4.685 5.060 -28.132 1.00 0.00 O ATOM 411 CG2 THR A 87 -6.846 6.091 -28.451 1.00 0.00 C ATOM 0 H THR A 87 -3.215 5.390 -29.778 1.00 0.00 H new ATOM 0 HA THR A 87 -5.804 5.415 -30.738 1.00 0.00 H new ATOM 0 HB THR A 87 -4.964 7.095 -28.370 1.00 0.00 H new ATOM 0 HG1 THR A 87 -4.894 4.231 -28.610 1.00 0.00 H new ATOM 0 HG21 THR A 87 -6.995 6.116 -27.371 1.00 0.00 H new ATOM 0 HG22 THR A 87 -7.350 6.943 -28.906 1.00 0.00 H new ATOM 0 HG23 THR A 87 -7.261 5.167 -28.853 1.00 0.00 H new ATOM 419 N ILE A 88 -4.374 8.390 -30.723 1.00 0.00 N ATOM 420 CA ILE A 88 -4.488 9.752 -31.231 1.00 0.00 C ATOM 421 C ILE A 88 -4.781 9.758 -32.728 1.00 0.00 C ATOM 422 O ILE A 88 -5.690 10.449 -33.191 1.00 0.00 O ATOM 423 CB ILE A 88 -3.204 10.560 -30.968 1.00 0.00 C ATOM 424 CG1 ILE A 88 -2.913 10.622 -29.467 1.00 0.00 C ATOM 425 CG2 ILE A 88 -3.332 11.962 -31.546 1.00 0.00 C ATOM 426 CD1 ILE A 88 -1.454 10.856 -29.144 1.00 0.00 C ATOM 0 H ILE A 88 -3.485 8.182 -30.269 1.00 0.00 H new ATOM 0 HA ILE A 88 -5.317 10.219 -30.699 1.00 0.00 H new ATOM 0 HB ILE A 88 -2.370 10.060 -31.461 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -3.508 11.420 -29.022 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -3.234 9.689 -29.004 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -2.416 12.521 -31.352 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -3.497 11.898 -32.622 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -4.174 12.473 -31.079 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -1.321 10.889 -28.063 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -0.855 10.045 -29.559 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -1.133 11.803 -29.578 1.00 0.00 H new ATOM 438 N LEU A 89 -4.008 8.982 -33.479 1.00 0.00 N ATOM 439 CA LEU A 89 -4.185 8.896 -34.925 1.00 0.00 C ATOM 440 C LEU A 89 -5.600 8.444 -35.274 1.00 0.00 C ATOM 441 O LEU A 89 -6.311 9.117 -36.021 1.00 0.00 O ATOM 442 CB LEU A 89 -3.165 7.927 -35.526 1.00 0.00 C ATOM 443 CG LEU A 89 -1.733 8.449 -35.646 1.00 0.00 C ATOM 444 CD1 LEU A 89 -0.766 7.303 -35.898 1.00 0.00 C ATOM 445 CD2 LEU A 89 -1.634 9.486 -36.755 1.00 0.00 C ATOM 0 H LEU A 89 -3.253 8.403 -33.111 1.00 0.00 H new ATOM 0 HA LEU A 89 -4.026 9.889 -35.346 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -3.151 7.023 -34.918 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -3.509 7.638 -36.519 1.00 0.00 H new ATOM 0 HG LEU A 89 -1.461 8.926 -34.704 1.00 0.00 H new ATOM 0 HD11 LEU A 89 0.248 7.694 -35.981 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -0.816 6.596 -35.070 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -1.036 6.796 -36.824 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -0.608 9.846 -36.826 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -1.926 9.034 -37.703 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -2.297 10.322 -36.532 1.00 0.00 H new ATOM 457 N LEU A 90 -6.003 7.303 -34.726 1.00 0.00 N ATOM 458 CA LEU A 90 -7.334 6.762 -34.978 1.00 0.00 C ATOM 459 C LEU A 90 -8.413 7.758 -34.566 1.00 0.00 C ATOM 460 O LEU A 90 -9.325 8.054 -35.338 1.00 0.00 O ATOM 461 CB LEU A 90 -7.523 5.447 -34.220 1.00 0.00 C ATOM 462 CG LEU A 90 -6.931 4.201 -34.880 1.00 0.00 C ATOM 463 CD1 LEU A 90 -5.490 4.451 -35.298 1.00 0.00 C ATOM 464 CD2 LEU A 90 -7.016 3.007 -33.940 1.00 0.00 C ATOM 0 H LEU A 90 -5.427 6.735 -34.105 1.00 0.00 H new ATOM 0 HA LEU A 90 -7.427 6.575 -36.048 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -7.080 5.555 -33.230 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -8.591 5.284 -34.075 1.00 0.00 H new ATOM 0 HG LEU A 90 -7.513 3.976 -35.774 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -5.086 3.553 -35.766 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -5.455 5.277 -36.008 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -4.895 4.702 -34.420 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -6.590 2.130 -34.427 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -6.460 3.222 -33.028 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -8.059 2.813 -33.691 1.00 0.00 H new ATOM 476 N ILE A 91 -8.301 8.274 -33.347 1.00 0.00 N ATOM 477 CA ILE A 91 -9.265 9.240 -32.834 1.00 0.00 C ATOM 478 C ILE A 91 -9.365 10.455 -33.749 1.00 0.00 C ATOM 479 O ILE A 91 -10.460 10.890 -34.105 1.00 0.00 O ATOM 480 CB ILE A 91 -8.893 9.708 -31.415 1.00 0.00 C ATOM 481 CG1 ILE A 91 -9.063 8.562 -30.415 1.00 0.00 C ATOM 482 CG2 ILE A 91 -9.746 10.902 -31.011 1.00 0.00 C ATOM 483 CD1 ILE A 91 -8.386 8.814 -29.087 1.00 0.00 C ATOM 0 H ILE A 91 -7.552 8.039 -32.696 1.00 0.00 H new ATOM 0 HA ILE A 91 -10.230 8.735 -32.799 1.00 0.00 H new ATOM 0 HB ILE A 91 -7.847 10.015 -31.412 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -10.126 8.393 -30.245 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -8.661 7.647 -30.851 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -9.472 11.222 -30.006 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -9.580 11.721 -31.710 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -10.799 10.619 -31.027 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -8.548 7.961 -28.428 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -7.316 8.953 -29.244 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -8.805 9.710 -28.629 1.00 0.00 H new ATOM 495 N SER A 92 -8.213 11.000 -34.128 1.00 0.00 N ATOM 496 CA SER A 92 -8.169 12.167 -35.001 1.00 0.00 C ATOM 497 C SER A 92 -8.943 11.911 -36.290 1.00 0.00 C ATOM 498 O SER A 92 -9.493 12.834 -36.891 1.00 0.00 O ATOM 499 CB SER A 92 -6.720 12.533 -35.326 1.00 0.00 C ATOM 500 OG SER A 92 -6.643 13.801 -35.955 1.00 0.00 O ATOM 0 H SER A 92 -7.297 10.652 -33.844 1.00 0.00 H new ATOM 0 HA SER A 92 -8.637 13.000 -34.477 1.00 0.00 H new ATOM 0 HB2 SER A 92 -6.130 12.542 -34.410 1.00 0.00 H new ATOM 0 HB3 SER A 92 -6.287 11.774 -35.977 1.00 0.00 H new ATOM 0 HG SER A 92 -5.706 14.013 -36.151 1.00 0.00 H new ATOM 506 N TYR A 93 -8.981 10.651 -36.709 1.00 0.00 N ATOM 507 CA TYR A 93 -9.685 10.272 -37.929 1.00 0.00 C ATOM 508 C TYR A 93 -11.196 10.336 -37.728 1.00 0.00 C ATOM 509 O TYR A 93 -11.938 10.721 -38.631 1.00 0.00 O ATOM 510 CB TYR A 93 -9.276 8.863 -38.361 1.00 0.00 C ATOM 511 CG TYR A 93 -9.707 8.512 -39.767 1.00 0.00 C ATOM 512 CD1 TYR A 93 -8.912 8.835 -40.860 1.00 0.00 C ATOM 513 CD2 TYR A 93 -10.910 7.858 -40.003 1.00 0.00 C ATOM 514 CE1 TYR A 93 -9.302 8.517 -42.146 1.00 0.00 C ATOM 515 CE2 TYR A 93 -11.308 7.534 -41.286 1.00 0.00 C ATOM 516 CZ TYR A 93 -10.501 7.867 -42.354 1.00 0.00 C ATOM 517 OH TYR A 93 -10.893 7.547 -43.634 1.00 0.00 O ATOM 0 H TYR A 93 -8.533 9.875 -36.222 1.00 0.00 H new ATOM 0 HA TYR A 93 -9.411 10.979 -38.712 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -8.192 8.770 -38.288 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -9.705 8.140 -37.667 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -7.973 9.344 -40.701 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -11.545 7.598 -39.169 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -8.672 8.776 -42.984 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -12.245 7.023 -41.452 1.00 0.00 H new ATOM 0 HH TYR A 93 -11.760 7.091 -43.606 1.00 0.00 H new ATOM 527 N GLY A 94 -11.645 9.956 -36.535 1.00 0.00 N ATOM 528 CA GLY A 94 -13.064 9.978 -36.235 1.00 0.00 C ATOM 529 C GLY A 94 -13.638 11.381 -36.248 1.00 0.00 C ATOM 530 O GLY A 94 -14.765 11.594 -36.695 1.00 0.00 O ATOM 0 H GLY A 94 -11.051 9.633 -35.771 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -13.596 9.365 -36.963 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -13.232 9.529 -35.256 1.00 0.00 H new ATOM 534 N ILE A 95 -12.862 12.340 -35.754 1.00 0.00 N ATOM 535 CA ILE A 95 -13.301 13.730 -35.710 1.00 0.00 C ATOM 536 C ILE A 95 -13.475 14.296 -37.115 1.00 0.00 C ATOM 537 O ILE A 95 -14.331 15.149 -37.349 1.00 0.00 O ATOM 538 CB ILE A 95 -12.303 14.610 -34.934 1.00 0.00 C ATOM 539 CG1 ILE A 95 -12.144 14.098 -33.502 1.00 0.00 C ATOM 540 CG2 ILE A 95 -12.764 16.060 -34.936 1.00 0.00 C ATOM 541 CD1 ILE A 95 -13.427 14.134 -32.701 1.00 0.00 C ATOM 0 H ILE A 95 -11.927 12.180 -35.379 1.00 0.00 H new ATOM 0 HA ILE A 95 -14.261 13.742 -35.195 1.00 0.00 H new ATOM 0 HB ILE A 95 -11.333 14.556 -35.428 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -11.772 13.074 -33.530 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -11.390 14.698 -32.992 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -12.049 16.670 -34.384 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -12.831 16.419 -35.963 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -13.743 16.131 -34.463 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -13.239 13.757 -31.696 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -13.790 15.160 -32.641 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -14.177 13.511 -33.188 1.00 0.00 H new ATOM 553 N ARG A 96 -12.660 13.814 -38.047 1.00 0.00 N ATOM 554 CA ARG A 96 -12.725 14.271 -39.430 1.00 0.00 C ATOM 555 C ARG A 96 -13.951 13.698 -40.135 1.00 0.00 C ATOM 556 O ARG A 96 -14.473 14.296 -41.076 1.00 0.00 O ATOM 557 CB ARG A 96 -11.456 13.868 -40.183 1.00 0.00 C ATOM 558 CG ARG A 96 -10.493 15.021 -40.414 1.00 0.00 C ATOM 559 CD ARG A 96 -9.093 14.521 -40.738 1.00 0.00 C ATOM 560 NE ARG A 96 -8.866 14.426 -42.178 1.00 0.00 N ATOM 561 CZ ARG A 96 -7.759 13.925 -42.715 1.00 0.00 C ATOM 562 NH1 ARG A 96 -6.784 13.477 -41.936 1.00 0.00 N ATOM 563 NH2 ARG A 96 -7.626 13.872 -44.034 1.00 0.00 N ATOM 0 H ARG A 96 -11.947 13.107 -37.870 1.00 0.00 H new ATOM 0 HA ARG A 96 -12.806 15.358 -39.423 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -10.945 13.085 -39.623 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -11.735 13.440 -41.146 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -10.857 15.642 -41.232 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -10.459 15.652 -39.526 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -8.357 15.194 -40.298 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -8.943 13.543 -40.282 1.00 0.00 H new ATOM 0 HE ARG A 96 -9.597 14.762 -42.805 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -6.883 13.516 -40.922 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -5.935 13.093 -42.351 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -8.374 14.216 -44.636 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -6.776 13.487 -44.446 1.00 0.00 H new ATOM 577 N ARG A 97 -14.404 12.538 -39.673 1.00 0.00 N ATOM 578 CA ARG A 97 -15.568 11.884 -40.260 1.00 0.00 C ATOM 579 C ARG A 97 -15.312 11.530 -41.723 1.00 0.00 C ATOM 580 O ARG A 97 -16.246 11.416 -42.517 1.00 0.00 O ATOM 581 CB ARG A 97 -16.797 12.788 -40.151 1.00 0.00 C ATOM 582 CG ARG A 97 -18.042 12.066 -39.662 1.00 0.00 C ATOM 583 CD ARG A 97 -18.397 10.894 -40.565 1.00 0.00 C ATOM 584 NE ARG A 97 -19.658 10.267 -40.177 1.00 0.00 N ATOM 585 CZ ARG A 97 -19.786 9.463 -39.127 1.00 0.00 C ATOM 586 NH1 ARG A 97 -18.737 9.191 -38.364 1.00 0.00 N ATOM 587 NH2 ARG A 97 -20.967 8.930 -38.839 1.00 0.00 N ATOM 0 H ARG A 97 -13.983 12.031 -38.894 1.00 0.00 H new ATOM 0 HA ARG A 97 -15.753 10.963 -39.707 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -16.574 13.610 -39.471 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -17.002 13.228 -41.127 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -17.880 11.708 -38.645 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -18.878 12.764 -39.625 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -18.466 11.239 -41.597 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -17.598 10.154 -40.529 1.00 0.00 H new ATOM 0 HE ARG A 97 -20.485 10.457 -40.743 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -17.828 9.599 -38.582 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -18.839 8.573 -37.559 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -21.776 9.138 -39.424 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -21.065 8.313 -38.033 1.00 0.00 H new ATOM 601 N LEU A 98 -14.042 11.359 -42.071 1.00 0.00 N ATOM 602 CA LEU A 98 -13.662 11.018 -43.438 1.00 0.00 C ATOM 603 C LEU A 98 -13.783 9.517 -43.679 1.00 0.00 C ATOM 604 O LEU A 98 -14.292 9.114 -44.723 1.00 0.00 O ATOM 605 CB LEU A 98 -12.231 11.479 -43.721 1.00 0.00 C ATOM 606 CG LEU A 98 -11.792 11.443 -45.185 1.00 0.00 C ATOM 607 CD1 LEU A 98 -12.393 12.611 -45.951 1.00 0.00 C ATOM 608 CD2 LEU A 98 -10.274 11.462 -45.287 1.00 0.00 C ATOM 0 H LEU A 98 -13.257 11.451 -41.426 1.00 0.00 H new ATOM 0 HA LEU A 98 -14.343 11.532 -44.117 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -12.120 12.499 -43.354 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -11.549 10.856 -43.142 1.00 0.00 H new ATOM 0 HG LEU A 98 -12.155 10.517 -45.630 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -12.070 12.569 -46.991 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -13.481 12.554 -45.907 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -12.060 13.548 -45.505 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -9.979 11.436 -46.336 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -9.890 12.371 -44.825 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -9.864 10.592 -44.773 1.00 0.00 H new TER 620 LEU A 98 ATOM 621 N ARG B 61 9.911 -24.185 6.031 1.00 0.00 N ATOM 622 CA ARG B 61 9.543 -25.596 6.012 1.00 0.00 C ATOM 623 C ARG B 61 8.508 -25.873 4.925 1.00 0.00 C ATOM 624 O ARG B 61 8.426 -26.984 4.399 1.00 0.00 O ATOM 625 CB ARG B 61 8.992 -26.020 7.375 1.00 0.00 C ATOM 626 CG ARG B 61 9.832 -25.538 8.547 1.00 0.00 C ATOM 627 CD ARG B 61 11.202 -26.198 8.559 1.00 0.00 C ATOM 628 NE ARG B 61 11.719 -26.360 9.915 1.00 0.00 N ATOM 629 CZ ARG B 61 12.809 -27.061 10.208 1.00 0.00 C ATOM 630 NH1 ARG B 61 13.492 -27.663 9.244 1.00 0.00 N ATOM 631 NH2 ARG B 61 13.217 -27.162 11.466 1.00 0.00 N ATOM 0 HA ARG B 61 10.439 -26.176 5.793 1.00 0.00 H new ATOM 0 HB2 ARG B 61 7.978 -25.636 7.483 1.00 0.00 H new ATOM 0 HB3 ARG B 61 8.926 -27.107 7.409 1.00 0.00 H new ATOM 0 HG2 ARG B 61 9.949 -24.456 8.492 1.00 0.00 H new ATOM 0 HG3 ARG B 61 9.314 -25.755 9.481 1.00 0.00 H new ATOM 0 HD2 ARG B 61 11.139 -27.173 8.076 1.00 0.00 H new ATOM 0 HD3 ARG B 61 11.899 -25.597 7.975 1.00 0.00 H new ATOM 0 HE ARG B 61 11.216 -25.910 10.680 1.00 0.00 H new ATOM 0 HH11 ARG B 61 13.181 -27.588 8.275 1.00 0.00 H new ATOM 0 HH12 ARG B 61 14.329 -28.201 9.471 1.00 0.00 H new ATOM 0 HH21 ARG B 61 12.694 -26.701 12.210 1.00 0.00 H new ATOM 0 HH22 ARG B 61 14.054 -27.701 11.689 1.00 0.00 H new ATOM 645 N VAL B 62 7.718 -24.857 4.593 1.00 0.00 N ATOM 646 CA VAL B 62 6.689 -24.990 3.569 1.00 0.00 C ATOM 647 C VAL B 62 6.562 -23.712 2.748 1.00 0.00 C ATOM 648 O VAL B 62 5.590 -22.970 2.885 1.00 0.00 O ATOM 649 CB VAL B 62 5.320 -25.327 4.190 1.00 0.00 C ATOM 650 CG1 VAL B 62 5.283 -26.779 4.644 1.00 0.00 C ATOM 651 CG2 VAL B 62 5.015 -24.390 5.348 1.00 0.00 C ATOM 0 H VAL B 62 7.771 -23.932 5.019 1.00 0.00 H new ATOM 0 HA VAL B 62 6.995 -25.808 2.917 1.00 0.00 H new ATOM 0 HB VAL B 62 4.551 -25.189 3.429 1.00 0.00 H new ATOM 0 HG11 VAL B 62 4.309 -26.999 5.080 1.00 0.00 H new ATOM 0 HG12 VAL B 62 5.454 -27.432 3.788 1.00 0.00 H new ATOM 0 HG13 VAL B 62 6.060 -26.947 5.389 1.00 0.00 H new ATOM 0 HG21 VAL B 62 4.044 -24.643 5.775 1.00 0.00 H new ATOM 0 HG22 VAL B 62 5.785 -24.493 6.112 1.00 0.00 H new ATOM 0 HG23 VAL B 62 4.997 -23.361 4.988 1.00 0.00 H new ATOM 661 N GLN B 63 7.550 -23.462 1.895 1.00 0.00 N ATOM 662 CA GLN B 63 7.548 -22.273 1.052 1.00 0.00 C ATOM 663 C GLN B 63 6.554 -22.421 -0.096 1.00 0.00 C ATOM 664 O GLN B 63 5.928 -23.469 -0.257 1.00 0.00 O ATOM 665 CB GLN B 63 8.950 -22.012 0.498 1.00 0.00 C ATOM 666 CG GLN B 63 9.598 -20.753 1.050 1.00 0.00 C ATOM 667 CD GLN B 63 8.935 -19.486 0.547 1.00 0.00 C ATOM 668 OE1 GLN B 63 7.945 -19.023 1.113 1.00 0.00 O ATOM 669 NE2 GLN B 63 9.479 -18.918 -0.523 1.00 0.00 N ATOM 0 H GLN B 63 8.362 -24.067 1.770 1.00 0.00 H new ATOM 0 HA GLN B 63 7.244 -21.425 1.665 1.00 0.00 H new ATOM 0 HB2 GLN B 63 9.586 -22.867 0.725 1.00 0.00 H new ATOM 0 HB3 GLN B 63 8.894 -21.936 -0.588 1.00 0.00 H new ATOM 0 HG2 GLN B 63 9.554 -20.774 2.139 1.00 0.00 H new ATOM 0 HG3 GLN B 63 10.652 -20.741 0.774 1.00 0.00 H new ATOM 0 HE21 GLN B 63 10.300 -19.336 -0.961 1.00 0.00 H new ATOM 0 HE22 GLN B 63 9.076 -18.063 -0.907 1.00 0.00 H new ATOM 678 N LEU B 64 6.414 -21.365 -0.890 1.00 0.00 N ATOM 679 CA LEU B 64 5.495 -21.377 -2.023 1.00 0.00 C ATOM 680 C LEU B 64 5.805 -20.236 -2.987 1.00 0.00 C ATOM 681 O LEU B 64 4.900 -19.565 -3.481 1.00 0.00 O ATOM 682 CB LEU B 64 4.050 -21.268 -1.534 1.00 0.00 C ATOM 683 CG LEU B 64 3.805 -20.307 -0.370 1.00 0.00 C ATOM 684 CD1 LEU B 64 3.995 -18.866 -0.819 1.00 0.00 C ATOM 685 CD2 LEU B 64 2.411 -20.509 0.205 1.00 0.00 C ATOM 0 H LEU B 64 6.925 -20.490 -0.770 1.00 0.00 H new ATOM 0 HA LEU B 64 5.622 -22.321 -2.553 1.00 0.00 H new ATOM 0 HB2 LEU B 64 3.426 -20.958 -2.372 1.00 0.00 H new ATOM 0 HB3 LEU B 64 3.713 -22.261 -1.236 1.00 0.00 H new ATOM 0 HG LEU B 64 4.533 -20.522 0.412 1.00 0.00 H new ATOM 0 HD11 LEU B 64 3.817 -18.196 0.022 1.00 0.00 H new ATOM 0 HD12 LEU B 64 5.014 -18.729 -1.182 1.00 0.00 H new ATOM 0 HD13 LEU B 64 3.291 -18.638 -1.619 1.00 0.00 H new ATOM 0 HD21 LEU B 64 2.255 -19.817 1.032 1.00 0.00 H new ATOM 0 HD22 LEU B 64 1.667 -20.322 -0.570 1.00 0.00 H new ATOM 0 HD23 LEU B 64 2.311 -21.533 0.565 1.00 0.00 H new ATOM 697 N ALA B 65 7.090 -20.025 -3.251 1.00 0.00 N ATOM 698 CA ALA B 65 7.519 -18.968 -4.160 1.00 0.00 C ATOM 699 C ALA B 65 8.901 -19.265 -4.733 1.00 0.00 C ATOM 700 O ALA B 65 9.919 -18.877 -4.159 1.00 0.00 O ATOM 701 CB ALA B 65 7.520 -17.625 -3.445 1.00 0.00 C ATOM 0 H ALA B 65 7.852 -20.571 -2.849 1.00 0.00 H new ATOM 0 HA ALA B 65 6.812 -18.926 -4.988 1.00 0.00 H new ATOM 0 HB1 ALA B 65 7.842 -16.845 -4.135 1.00 0.00 H new ATOM 0 HB2 ALA B 65 6.514 -17.402 -3.089 1.00 0.00 H new ATOM 0 HB3 ALA B 65 8.204 -17.665 -2.597 1.00 0.00 H new ATOM 707 N HIS B 66 8.930 -19.957 -5.868 1.00 0.00 N ATOM 708 CA HIS B 66 10.187 -20.306 -6.519 1.00 0.00 C ATOM 709 C HIS B 66 9.984 -20.517 -8.016 1.00 0.00 C ATOM 710 O HIS B 66 9.589 -21.598 -8.453 1.00 0.00 O ATOM 711 CB HIS B 66 10.778 -21.568 -5.890 1.00 0.00 C ATOM 712 CG HIS B 66 12.231 -21.443 -5.547 1.00 0.00 C ATOM 713 ND1 HIS B 66 13.104 -20.643 -6.253 1.00 0.00 N ATOM 714 CD2 HIS B 66 12.962 -22.021 -4.566 1.00 0.00 C ATOM 715 CE1 HIS B 66 14.310 -20.735 -5.722 1.00 0.00 C ATOM 716 NE2 HIS B 66 14.251 -21.565 -4.696 1.00 0.00 N ATOM 0 H HIS B 66 8.097 -20.287 -6.355 1.00 0.00 H new ATOM 0 HA HIS B 66 10.882 -19.479 -6.378 1.00 0.00 H new ATOM 0 HB2 HIS B 66 10.219 -21.809 -4.986 1.00 0.00 H new ATOM 0 HB3 HIS B 66 10.646 -22.403 -6.578 1.00 0.00 H new ATOM 0 HD2 HIS B 66 12.599 -22.712 -3.820 1.00 0.00 H new ATOM 0 HE1 HIS B 66 15.194 -20.219 -6.068 1.00 0.00 H new ATOM 0 HE2 HIS B 66 15.035 -21.825 -4.098 1.00 0.00 H new ATOM 724 N HIS B 67 10.256 -19.477 -8.798 1.00 0.00 N ATOM 725 CA HIS B 67 10.102 -19.548 -10.247 1.00 0.00 C ATOM 726 C HIS B 67 10.490 -18.225 -10.900 1.00 0.00 C ATOM 727 O HIS B 67 9.740 -17.251 -10.846 1.00 0.00 O ATOM 728 CB HIS B 67 8.661 -19.907 -10.611 1.00 0.00 C ATOM 729 CG HIS B 67 8.555 -20.977 -11.653 1.00 0.00 C ATOM 730 ND1 HIS B 67 7.672 -20.914 -12.710 1.00 0.00 N ATOM 731 CD2 HIS B 67 9.230 -22.141 -11.798 1.00 0.00 C ATOM 732 CE1 HIS B 67 7.806 -21.994 -13.459 1.00 0.00 C ATOM 733 NE2 HIS B 67 8.746 -22.755 -12.928 1.00 0.00 N ATOM 0 H HIS B 67 10.584 -18.575 -8.453 1.00 0.00 H new ATOM 0 HA HIS B 67 10.768 -20.326 -10.621 1.00 0.00 H new ATOM 0 HB2 HIS B 67 8.139 -20.234 -9.712 1.00 0.00 H new ATOM 0 HB3 HIS B 67 8.151 -19.012 -10.968 1.00 0.00 H new ATOM 0 HD2 HIS B 67 10.005 -22.517 -11.147 1.00 0.00 H new ATOM 0 HE1 HIS B 67 7.243 -22.217 -14.353 1.00 0.00 H new ATOM 0 HE2 HIS B 67 9.061 -23.652 -13.297 1.00 0.00 H new ATOM 741 N PHE B 68 11.667 -18.198 -11.517 1.00 0.00 N ATOM 742 CA PHE B 68 12.156 -16.995 -12.179 1.00 0.00 C ATOM 743 C PHE B 68 11.179 -16.531 -13.256 1.00 0.00 C ATOM 744 O PHE B 68 10.743 -15.380 -13.260 1.00 0.00 O ATOM 745 CB PHE B 68 13.531 -17.251 -12.799 1.00 0.00 C ATOM 746 CG PHE B 68 14.523 -16.155 -12.531 1.00 0.00 C ATOM 747 CD1 PHE B 68 14.959 -15.897 -11.241 1.00 0.00 C ATOM 748 CD2 PHE B 68 15.019 -15.383 -13.569 1.00 0.00 C ATOM 749 CE1 PHE B 68 15.871 -14.889 -10.991 1.00 0.00 C ATOM 750 CE2 PHE B 68 15.932 -14.374 -13.325 1.00 0.00 C ATOM 751 CZ PHE B 68 16.358 -14.126 -12.035 1.00 0.00 C ATOM 0 H PHE B 68 12.300 -18.996 -11.572 1.00 0.00 H new ATOM 0 HA PHE B 68 12.244 -16.209 -11.429 1.00 0.00 H new ATOM 0 HB2 PHE B 68 13.926 -18.190 -12.412 1.00 0.00 H new ATOM 0 HB3 PHE B 68 13.418 -17.372 -13.876 1.00 0.00 H new ATOM 0 HD1 PHE B 68 14.582 -16.491 -10.421 1.00 0.00 H new ATOM 0 HD2 PHE B 68 14.689 -15.572 -14.580 1.00 0.00 H new ATOM 0 HE1 PHE B 68 16.203 -14.698 -9.981 1.00 0.00 H new ATOM 0 HE2 PHE B 68 16.312 -13.780 -14.143 1.00 0.00 H new ATOM 0 HZ PHE B 68 17.070 -13.337 -11.843 1.00 0.00 H new ATOM 761 N SER B 69 10.839 -17.437 -14.167 1.00 0.00 N ATOM 762 CA SER B 69 9.917 -17.121 -15.252 1.00 0.00 C ATOM 763 C SER B 69 10.574 -16.196 -16.272 1.00 0.00 C ATOM 764 O SER B 69 11.791 -16.012 -16.264 1.00 0.00 O ATOM 765 CB SER B 69 8.649 -16.468 -14.698 1.00 0.00 C ATOM 766 OG SER B 69 7.575 -16.580 -15.616 1.00 0.00 O ATOM 0 H SER B 69 11.188 -18.395 -14.176 1.00 0.00 H new ATOM 0 HA SER B 69 9.650 -18.052 -15.751 1.00 0.00 H new ATOM 0 HB2 SER B 69 8.376 -16.940 -13.754 1.00 0.00 H new ATOM 0 HB3 SER B 69 8.841 -15.416 -14.485 1.00 0.00 H new ATOM 0 HG SER B 69 6.776 -16.157 -15.238 1.00 0.00 H new ATOM 772 N GLU B 70 9.759 -15.617 -17.148 1.00 0.00 N ATOM 773 CA GLU B 70 10.262 -14.712 -18.175 1.00 0.00 C ATOM 774 C GLU B 70 9.171 -13.746 -18.630 1.00 0.00 C ATOM 775 O GLU B 70 8.688 -13.804 -19.761 1.00 0.00 O ATOM 776 CB GLU B 70 10.788 -15.505 -19.373 1.00 0.00 C ATOM 777 CG GLU B 70 12.160 -16.117 -19.142 1.00 0.00 C ATOM 778 CD GLU B 70 13.189 -15.092 -18.708 1.00 0.00 C ATOM 779 OE1 GLU B 70 13.195 -13.979 -19.273 1.00 0.00 O ATOM 780 OE2 GLU B 70 13.990 -15.404 -17.802 1.00 0.00 O ATOM 0 H GLU B 70 8.749 -15.758 -17.167 1.00 0.00 H new ATOM 0 HA GLU B 70 11.080 -14.134 -17.745 1.00 0.00 H new ATOM 0 HB2 GLU B 70 10.081 -16.299 -19.611 1.00 0.00 H new ATOM 0 HB3 GLU B 70 10.834 -14.848 -20.241 1.00 0.00 H new ATOM 0 HG2 GLU B 70 12.084 -16.894 -18.382 1.00 0.00 H new ATOM 0 HG3 GLU B 70 12.498 -16.600 -20.059 1.00 0.00 H new ATOM 787 N PRO B 71 8.772 -12.838 -17.728 1.00 0.00 N ATOM 788 CA PRO B 71 7.734 -11.842 -18.013 1.00 0.00 C ATOM 789 C PRO B 71 8.199 -10.789 -19.013 1.00 0.00 C ATOM 790 O PRO B 71 9.359 -10.379 -19.000 1.00 0.00 O ATOM 791 CB PRO B 71 7.470 -11.203 -16.647 1.00 0.00 C ATOM 792 CG PRO B 71 8.735 -11.402 -15.885 1.00 0.00 C ATOM 793 CD PRO B 71 9.303 -12.711 -16.360 1.00 0.00 C ATOM 0 HA PRO B 71 6.851 -12.293 -18.466 1.00 0.00 H new ATOM 0 HB2 PRO B 71 7.229 -10.144 -16.745 1.00 0.00 H new ATOM 0 HB3 PRO B 71 6.627 -11.677 -16.145 1.00 0.00 H new ATOM 0 HG2 PRO B 71 9.433 -10.585 -16.067 1.00 0.00 H new ATOM 0 HG3 PRO B 71 8.545 -11.426 -14.812 1.00 0.00 H new ATOM 0 HD2 PRO B 71 10.393 -12.703 -16.351 1.00 0.00 H new ATOM 0 HD3 PRO B 71 8.986 -13.540 -15.727 1.00 0.00 H new ATOM 801 N GLU B 72 7.287 -10.355 -19.876 1.00 0.00 N ATOM 802 CA GLU B 72 7.606 -9.350 -20.883 1.00 0.00 C ATOM 803 C GLU B 72 6.352 -8.919 -21.639 1.00 0.00 C ATOM 804 O GLU B 72 5.989 -7.743 -21.641 1.00 0.00 O ATOM 805 CB GLU B 72 8.646 -9.892 -21.866 1.00 0.00 C ATOM 806 CG GLU B 72 9.087 -8.876 -22.906 1.00 0.00 C ATOM 807 CD GLU B 72 9.653 -9.528 -24.154 1.00 0.00 C ATOM 808 OE1 GLU B 72 9.914 -10.748 -24.118 1.00 0.00 O ATOM 809 OE2 GLU B 72 9.835 -8.817 -25.164 1.00 0.00 O ATOM 0 H GLU B 72 6.322 -10.683 -19.898 1.00 0.00 H new ATOM 0 HA GLU B 72 8.018 -8.480 -20.372 1.00 0.00 H new ATOM 0 HB2 GLU B 72 9.519 -10.231 -21.308 1.00 0.00 H new ATOM 0 HB3 GLU B 72 8.234 -10.764 -22.374 1.00 0.00 H new ATOM 0 HG2 GLU B 72 8.238 -8.250 -23.181 1.00 0.00 H new ATOM 0 HG3 GLU B 72 9.840 -8.219 -22.470 1.00 0.00 H new ATOM 816 N ILE B 73 5.695 -9.881 -22.279 1.00 0.00 N ATOM 817 CA ILE B 73 4.482 -9.602 -23.037 1.00 0.00 C ATOM 818 C ILE B 73 3.491 -8.789 -22.210 1.00 0.00 C ATOM 819 O ILE B 73 3.020 -7.737 -22.643 1.00 0.00 O ATOM 820 CB ILE B 73 3.799 -10.901 -23.505 1.00 0.00 C ATOM 821 CG1 ILE B 73 4.762 -11.730 -24.358 1.00 0.00 C ATOM 822 CG2 ILE B 73 2.532 -10.582 -24.285 1.00 0.00 C ATOM 823 CD1 ILE B 73 5.174 -11.045 -25.642 1.00 0.00 C ATOM 0 H ILE B 73 5.982 -10.860 -22.287 1.00 0.00 H new ATOM 0 HA ILE B 73 4.782 -9.024 -23.911 1.00 0.00 H new ATOM 0 HB ILE B 73 3.524 -11.486 -22.628 1.00 0.00 H new ATOM 0 HG12 ILE B 73 5.654 -11.953 -23.772 1.00 0.00 H new ATOM 0 HG13 ILE B 73 4.292 -12.684 -24.599 1.00 0.00 H new ATOM 0 HG21 ILE B 73 2.061 -11.510 -24.609 1.00 0.00 H new ATOM 0 HG22 ILE B 73 1.842 -10.028 -23.648 1.00 0.00 H new ATOM 0 HG23 ILE B 73 2.784 -9.979 -25.158 1.00 0.00 H new ATOM 0 HD11 ILE B 73 5.856 -11.690 -26.196 1.00 0.00 H new ATOM 0 HD12 ILE B 73 4.290 -10.846 -26.248 1.00 0.00 H new ATOM 0 HD13 ILE B 73 5.673 -10.104 -25.409 1.00 0.00 H new ATOM 835 N THR B 74 3.179 -9.284 -21.016 1.00 0.00 N ATOM 836 CA THR B 74 2.245 -8.604 -20.128 1.00 0.00 C ATOM 837 C THR B 74 2.599 -7.129 -19.982 1.00 0.00 C ATOM 838 O THR B 74 1.736 -6.258 -20.097 1.00 0.00 O ATOM 839 CB THR B 74 2.223 -9.255 -18.732 1.00 0.00 C ATOM 840 OG1 THR B 74 1.861 -10.636 -18.841 1.00 0.00 O ATOM 841 CG2 THR B 74 1.241 -8.539 -17.817 1.00 0.00 C ATOM 0 H THR B 74 3.560 -10.153 -20.642 1.00 0.00 H new ATOM 0 HA THR B 74 1.257 -8.694 -20.580 1.00 0.00 H new ATOM 0 HB THR B 74 3.221 -9.175 -18.302 1.00 0.00 H new ATOM 0 HG1 THR B 74 1.851 -11.043 -17.950 1.00 0.00 H new ATOM 0 HG21 THR B 74 1.243 -9.016 -16.837 1.00 0.00 H new ATOM 0 HG22 THR B 74 1.536 -7.495 -17.713 1.00 0.00 H new ATOM 0 HG23 THR B 74 0.240 -8.592 -18.245 1.00 0.00 H new ATOM 849 N LEU B 75 3.874 -6.853 -19.730 1.00 0.00 N ATOM 850 CA LEU B 75 4.343 -5.481 -19.570 1.00 0.00 C ATOM 851 C LEU B 75 4.000 -4.641 -20.796 1.00 0.00 C ATOM 852 O LEU B 75 3.455 -3.544 -20.675 1.00 0.00 O ATOM 853 CB LEU B 75 5.854 -5.463 -19.331 1.00 0.00 C ATOM 854 CG LEU B 75 6.351 -6.239 -18.111 1.00 0.00 C ATOM 855 CD1 LEU B 75 7.857 -6.436 -18.181 1.00 0.00 C ATOM 856 CD2 LEU B 75 5.964 -5.519 -16.827 1.00 0.00 C ATOM 0 H LEU B 75 4.601 -7.561 -19.632 1.00 0.00 H new ATOM 0 HA LEU B 75 3.839 -5.049 -18.705 1.00 0.00 H new ATOM 0 HB2 LEU B 75 6.346 -5.864 -20.217 1.00 0.00 H new ATOM 0 HB3 LEU B 75 6.173 -4.426 -19.231 1.00 0.00 H new ATOM 0 HG LEU B 75 5.877 -7.220 -18.111 1.00 0.00 H new ATOM 0 HD11 LEU B 75 8.193 -6.990 -17.304 1.00 0.00 H new ATOM 0 HD12 LEU B 75 8.109 -6.995 -19.082 1.00 0.00 H new ATOM 0 HD13 LEU B 75 8.350 -5.464 -18.207 1.00 0.00 H new ATOM 0 HD21 LEU B 75 6.326 -6.086 -15.969 1.00 0.00 H new ATOM 0 HD22 LEU B 75 6.410 -4.524 -16.819 1.00 0.00 H new ATOM 0 HD23 LEU B 75 4.879 -5.431 -16.772 1.00 0.00 H new ATOM 868 N ILE B 76 4.320 -5.166 -21.974 1.00 0.00 N ATOM 869 CA ILE B 76 4.042 -4.466 -23.222 1.00 0.00 C ATOM 870 C ILE B 76 2.561 -4.124 -23.343 1.00 0.00 C ATOM 871 O ILE B 76 2.199 -3.004 -23.704 1.00 0.00 O ATOM 872 CB ILE B 76 4.466 -5.303 -24.443 1.00 0.00 C ATOM 873 CG1 ILE B 76 5.926 -5.737 -24.309 1.00 0.00 C ATOM 874 CG2 ILE B 76 4.258 -4.511 -25.726 1.00 0.00 C ATOM 875 CD1 ILE B 76 6.905 -4.585 -24.346 1.00 0.00 C ATOM 0 H ILE B 76 4.772 -6.073 -22.090 1.00 0.00 H new ATOM 0 HA ILE B 76 4.624 -3.545 -23.203 1.00 0.00 H new ATOM 0 HB ILE B 76 3.844 -6.197 -24.486 1.00 0.00 H new ATOM 0 HG12 ILE B 76 6.051 -6.279 -23.372 1.00 0.00 H new ATOM 0 HG13 ILE B 76 6.165 -6.432 -25.114 1.00 0.00 H new ATOM 0 HG21 ILE B 76 4.562 -5.116 -26.580 1.00 0.00 H new ATOM 0 HG22 ILE B 76 3.205 -4.248 -25.824 1.00 0.00 H new ATOM 0 HG23 ILE B 76 4.858 -3.601 -25.693 1.00 0.00 H new ATOM 0 HD11 ILE B 76 7.921 -4.967 -24.246 1.00 0.00 H new ATOM 0 HD12 ILE B 76 6.808 -4.056 -25.294 1.00 0.00 H new ATOM 0 HD13 ILE B 76 6.692 -3.900 -23.525 1.00 0.00 H new ATOM 887 N ILE B 77 1.708 -5.096 -23.037 1.00 0.00 N ATOM 888 CA ILE B 77 0.266 -4.898 -23.108 1.00 0.00 C ATOM 889 C ILE B 77 -0.195 -3.849 -22.102 1.00 0.00 C ATOM 890 O ILE B 77 -0.917 -2.914 -22.450 1.00 0.00 O ATOM 891 CB ILE B 77 -0.497 -6.210 -22.850 1.00 0.00 C ATOM 892 CG1 ILE B 77 -0.182 -7.232 -23.945 1.00 0.00 C ATOM 893 CG2 ILE B 77 -1.993 -5.948 -22.777 1.00 0.00 C ATOM 894 CD1 ILE B 77 -0.777 -6.879 -25.290 1.00 0.00 C ATOM 0 H ILE B 77 1.991 -6.029 -22.737 1.00 0.00 H new ATOM 0 HA ILE B 77 0.045 -4.552 -24.118 1.00 0.00 H new ATOM 0 HB ILE B 77 -0.173 -6.619 -21.893 1.00 0.00 H new ATOM 0 HG12 ILE B 77 0.900 -7.321 -24.047 1.00 0.00 H new ATOM 0 HG13 ILE B 77 -0.555 -8.209 -23.637 1.00 0.00 H new ATOM 0 HG21 ILE B 77 -2.518 -6.886 -22.594 1.00 0.00 H new ATOM 0 HG22 ILE B 77 -2.201 -5.251 -21.965 1.00 0.00 H new ATOM 0 HG23 ILE B 77 -2.334 -5.519 -23.719 1.00 0.00 H new ATOM 0 HD11 ILE B 77 -0.513 -7.647 -26.017 1.00 0.00 H new ATOM 0 HD12 ILE B 77 -1.862 -6.818 -25.203 1.00 0.00 H new ATOM 0 HD13 ILE B 77 -0.385 -5.917 -25.620 1.00 0.00 H new ATOM 906 N PHE B 78 0.229 -4.009 -20.853 1.00 0.00 N ATOM 907 CA PHE B 78 -0.140 -3.075 -19.795 1.00 0.00 C ATOM 908 C PHE B 78 0.221 -1.644 -20.182 1.00 0.00 C ATOM 909 O PHE B 78 -0.597 -0.733 -20.066 1.00 0.00 O ATOM 910 CB PHE B 78 0.558 -3.452 -18.486 1.00 0.00 C ATOM 911 CG PHE B 78 0.438 -2.403 -17.419 1.00 0.00 C ATOM 912 CD1 PHE B 78 -0.646 -2.394 -16.556 1.00 0.00 C ATOM 913 CD2 PHE B 78 1.410 -1.425 -17.278 1.00 0.00 C ATOM 914 CE1 PHE B 78 -0.759 -1.429 -15.573 1.00 0.00 C ATOM 915 CE2 PHE B 78 1.302 -0.457 -16.297 1.00 0.00 C ATOM 916 CZ PHE B 78 0.217 -0.460 -15.442 1.00 0.00 C ATOM 0 H PHE B 78 0.828 -4.776 -20.548 1.00 0.00 H new ATOM 0 HA PHE B 78 -1.219 -3.134 -19.654 1.00 0.00 H new ATOM 0 HB2 PHE B 78 0.136 -4.386 -18.115 1.00 0.00 H new ATOM 0 HB3 PHE B 78 1.614 -3.636 -18.686 1.00 0.00 H new ATOM 0 HD1 PHE B 78 -1.411 -3.150 -16.653 1.00 0.00 H new ATOM 0 HD2 PHE B 78 2.262 -1.419 -17.942 1.00 0.00 H new ATOM 0 HE1 PHE B 78 -1.610 -1.432 -14.908 1.00 0.00 H new ATOM 0 HE2 PHE B 78 2.065 0.301 -16.199 1.00 0.00 H new ATOM 0 HZ PHE B 78 0.132 0.293 -14.673 1.00 0.00 H new ATOM 926 N GLY B 79 1.454 -1.455 -20.643 1.00 0.00 N ATOM 927 CA GLY B 79 1.903 -0.133 -21.040 1.00 0.00 C ATOM 928 C GLY B 79 1.003 0.495 -22.087 1.00 0.00 C ATOM 929 O GLY B 79 0.501 1.603 -21.900 1.00 0.00 O ATOM 0 H GLY B 79 2.150 -2.194 -20.749 1.00 0.00 H new ATOM 0 HA2 GLY B 79 1.941 0.513 -20.163 1.00 0.00 H new ATOM 0 HA3 GLY B 79 2.918 -0.200 -21.431 1.00 0.00 H new ATOM 933 N VAL B 80 0.799 -0.215 -23.192 1.00 0.00 N ATOM 934 CA VAL B 80 -0.045 0.280 -24.273 1.00 0.00 C ATOM 935 C VAL B 80 -1.479 0.489 -23.798 1.00 0.00 C ATOM 936 O VAL B 80 -2.164 1.407 -24.248 1.00 0.00 O ATOM 937 CB VAL B 80 -0.049 -0.689 -25.470 1.00 0.00 C ATOM 938 CG1 VAL B 80 -0.865 -0.115 -26.619 1.00 0.00 C ATOM 939 CG2 VAL B 80 1.374 -0.991 -25.915 1.00 0.00 C ATOM 0 H VAL B 80 1.206 -1.134 -23.362 1.00 0.00 H new ATOM 0 HA VAL B 80 0.373 1.235 -24.590 1.00 0.00 H new ATOM 0 HB VAL B 80 -0.514 -1.624 -25.157 1.00 0.00 H new ATOM 0 HG11 VAL B 80 -0.856 -0.813 -27.456 1.00 0.00 H new ATOM 0 HG12 VAL B 80 -1.892 0.046 -26.291 1.00 0.00 H new ATOM 0 HG13 VAL B 80 -0.432 0.834 -26.934 1.00 0.00 H new ATOM 0 HG21 VAL B 80 1.353 -1.677 -26.762 1.00 0.00 H new ATOM 0 HG22 VAL B 80 1.867 -0.065 -26.211 1.00 0.00 H new ATOM 0 HG23 VAL B 80 1.923 -1.448 -25.092 1.00 0.00 H new ATOM 949 N MET B 81 -1.925 -0.368 -22.886 1.00 0.00 N ATOM 950 CA MET B 81 -3.278 -0.276 -22.349 1.00 0.00 C ATOM 951 C MET B 81 -3.456 1.008 -21.543 1.00 0.00 C ATOM 952 O MET B 81 -4.448 1.719 -21.703 1.00 0.00 O ATOM 953 CB MET B 81 -3.584 -1.490 -21.470 1.00 0.00 C ATOM 954 CG MET B 81 -3.900 -2.749 -22.261 1.00 0.00 C ATOM 955 SD MET B 81 -5.648 -2.884 -22.683 1.00 0.00 S ATOM 956 CE MET B 81 -5.552 -3.731 -24.258 1.00 0.00 C ATOM 0 H MET B 81 -1.370 -1.134 -22.503 1.00 0.00 H new ATOM 0 HA MET B 81 -3.975 -0.258 -23.187 1.00 0.00 H new ATOM 0 HB2 MET B 81 -2.730 -1.683 -20.821 1.00 0.00 H new ATOM 0 HB3 MET B 81 -4.429 -1.256 -20.823 1.00 0.00 H new ATOM 0 HG2 MET B 81 -3.308 -2.757 -23.176 1.00 0.00 H new ATOM 0 HG3 MET B 81 -3.602 -3.622 -21.681 1.00 0.00 H new ATOM 0 HE1 MET B 81 -6.557 -3.888 -24.649 1.00 0.00 H new ATOM 0 HE2 MET B 81 -4.979 -3.127 -24.962 1.00 0.00 H new ATOM 0 HE3 MET B 81 -5.061 -4.695 -24.124 1.00 0.00 H new ATOM 966 N ALA B 82 -2.490 1.297 -20.678 1.00 0.00 N ATOM 967 CA ALA B 82 -2.540 2.496 -19.850 1.00 0.00 C ATOM 968 C ALA B 82 -2.435 3.756 -20.702 1.00 0.00 C ATOM 969 O ALA B 82 -3.188 4.711 -20.511 1.00 0.00 O ATOM 970 CB ALA B 82 -1.429 2.465 -18.810 1.00 0.00 C ATOM 0 H ALA B 82 -1.663 0.718 -20.532 1.00 0.00 H new ATOM 0 HA ALA B 82 -3.502 2.515 -19.338 1.00 0.00 H new ATOM 0 HB1 ALA B 82 -1.478 3.366 -18.199 1.00 0.00 H new ATOM 0 HB2 ALA B 82 -1.550 1.588 -18.174 1.00 0.00 H new ATOM 0 HB3 ALA B 82 -0.462 2.419 -19.312 1.00 0.00 H new ATOM 976 N GLY B 83 -1.495 3.754 -21.642 1.00 0.00 N ATOM 977 CA GLY B 83 -1.309 4.903 -22.508 1.00 0.00 C ATOM 978 C GLY B 83 -2.530 5.191 -23.360 1.00 0.00 C ATOM 979 O GLY B 83 -3.030 6.316 -23.381 1.00 0.00 O ATOM 0 H GLY B 83 -0.859 2.977 -21.819 1.00 0.00 H new ATOM 0 HA2 GLY B 83 -1.079 5.778 -21.901 1.00 0.00 H new ATOM 0 HA3 GLY B 83 -0.450 4.730 -23.156 1.00 0.00 H new ATOM 983 N VAL B 84 -3.011 4.172 -24.066 1.00 0.00 N ATOM 984 CA VAL B 84 -4.180 4.321 -24.924 1.00 0.00 C ATOM 985 C VAL B 84 -5.356 4.909 -24.152 1.00 0.00 C ATOM 986 O VAL B 84 -5.886 5.961 -24.514 1.00 0.00 O ATOM 987 CB VAL B 84 -4.604 2.972 -25.534 1.00 0.00 C ATOM 988 CG1 VAL B 84 -5.963 3.094 -26.207 1.00 0.00 C ATOM 989 CG2 VAL B 84 -3.554 2.481 -26.519 1.00 0.00 C ATOM 0 H VAL B 84 -2.609 3.235 -24.060 1.00 0.00 H new ATOM 0 HA VAL B 84 -3.899 5.002 -25.727 1.00 0.00 H new ATOM 0 HB VAL B 84 -4.688 2.239 -24.731 1.00 0.00 H new ATOM 0 HG11 VAL B 84 -6.246 2.131 -26.632 1.00 0.00 H new ATOM 0 HG12 VAL B 84 -6.707 3.399 -25.471 1.00 0.00 H new ATOM 0 HG13 VAL B 84 -5.911 3.840 -27.000 1.00 0.00 H new ATOM 0 HG21 VAL B 84 -3.869 1.527 -26.941 1.00 0.00 H new ATOM 0 HG22 VAL B 84 -3.437 3.211 -27.320 1.00 0.00 H new ATOM 0 HG23 VAL B 84 -2.603 2.353 -26.003 1.00 0.00 H new ATOM 999 N ILE B 85 -5.760 4.225 -23.088 1.00 0.00 N ATOM 1000 CA ILE B 85 -6.873 4.680 -22.264 1.00 0.00 C ATOM 1001 C ILE B 85 -6.637 6.099 -21.757 1.00 0.00 C ATOM 1002 O ILE B 85 -7.554 6.918 -21.723 1.00 0.00 O ATOM 1003 CB ILE B 85 -7.101 3.748 -21.060 1.00 0.00 C ATOM 1004 CG1 ILE B 85 -7.446 2.336 -21.538 1.00 0.00 C ATOM 1005 CG2 ILE B 85 -8.205 4.295 -20.167 1.00 0.00 C ATOM 1006 CD1 ILE B 85 -8.760 2.254 -22.282 1.00 0.00 C ATOM 0 H ILE B 85 -5.333 3.353 -22.776 1.00 0.00 H new ATOM 0 HA ILE B 85 -7.760 4.665 -22.897 1.00 0.00 H new ATOM 0 HB ILE B 85 -6.181 3.700 -20.478 1.00 0.00 H new ATOM 0 HG12 ILE B 85 -6.648 1.976 -22.187 1.00 0.00 H new ATOM 0 HG13 ILE B 85 -7.483 1.669 -20.677 1.00 0.00 H new ATOM 0 HG21 ILE B 85 -8.354 3.625 -19.321 1.00 0.00 H new ATOM 0 HG22 ILE B 85 -7.922 5.283 -19.802 1.00 0.00 H new ATOM 0 HG23 ILE B 85 -9.131 4.370 -20.738 1.00 0.00 H new ATOM 0 HD11 ILE B 85 -8.940 1.224 -22.591 1.00 0.00 H new ATOM 0 HD12 ILE B 85 -9.569 2.584 -21.630 1.00 0.00 H new ATOM 0 HD13 ILE B 85 -8.720 2.895 -23.163 1.00 0.00 H new ATOM 1018 N GLY B 86 -5.398 6.383 -21.364 1.00 0.00 N ATOM 1019 CA GLY B 86 -5.063 7.704 -20.865 1.00 0.00 C ATOM 1020 C GLY B 86 -5.332 8.794 -21.884 1.00 0.00 C ATOM 1021 O GLY B 86 -6.013 9.776 -21.588 1.00 0.00 O ATOM 0 H GLY B 86 -4.621 5.722 -21.382 1.00 0.00 H new ATOM 0 HA2 GLY B 86 -5.639 7.905 -19.962 1.00 0.00 H new ATOM 0 HA3 GLY B 86 -4.010 7.726 -20.583 1.00 0.00 H new ATOM 1025 N THR B 87 -4.795 8.622 -23.088 1.00 0.00 N ATOM 1026 CA THR B 87 -4.978 9.600 -24.153 1.00 0.00 C ATOM 1027 C THR B 87 -6.457 9.834 -24.436 1.00 0.00 C ATOM 1028 O THR B 87 -6.894 10.972 -24.608 1.00 0.00 O ATOM 1029 CB THR B 87 -4.282 9.153 -25.452 1.00 0.00 C ATOM 1030 OG1 THR B 87 -3.024 8.541 -25.148 1.00 0.00 O ATOM 1031 CG2 THR B 87 -4.065 10.336 -26.384 1.00 0.00 C ATOM 0 H THR B 87 -4.230 7.814 -23.350 1.00 0.00 H new ATOM 0 HA THR B 87 -4.525 10.530 -23.809 1.00 0.00 H new ATOM 0 HB THR B 87 -4.925 8.430 -25.953 1.00 0.00 H new ATOM 0 HG1 THR B 87 -2.590 9.030 -24.418 1.00 0.00 H new ATOM 0 HG21 THR B 87 -3.572 9.996 -27.295 1.00 0.00 H new ATOM 0 HG22 THR B 87 -5.027 10.781 -26.637 1.00 0.00 H new ATOM 0 HG23 THR B 87 -3.440 11.079 -25.889 1.00 0.00 H new ATOM 1039 N ILE B 88 -7.224 8.750 -24.483 1.00 0.00 N ATOM 1040 CA ILE B 88 -8.656 8.838 -24.744 1.00 0.00 C ATOM 1041 C ILE B 88 -9.340 9.766 -23.747 1.00 0.00 C ATOM 1042 O ILE B 88 -10.069 10.681 -24.132 1.00 0.00 O ATOM 1043 CB ILE B 88 -9.326 7.452 -24.682 1.00 0.00 C ATOM 1044 CG1 ILE B 88 -8.695 6.510 -25.709 1.00 0.00 C ATOM 1045 CG2 ILE B 88 -10.823 7.577 -24.918 1.00 0.00 C ATOM 1046 CD1 ILE B 88 -8.843 5.046 -25.358 1.00 0.00 C ATOM 0 H ILE B 88 -6.878 7.801 -24.344 1.00 0.00 H new ATOM 0 HA ILE B 88 -8.769 9.242 -25.750 1.00 0.00 H new ATOM 0 HB ILE B 88 -9.169 7.032 -23.688 1.00 0.00 H new ATOM 0 HG12 ILE B 88 -9.151 6.690 -26.683 1.00 0.00 H new ATOM 0 HG13 ILE B 88 -7.635 6.747 -25.804 1.00 0.00 H new ATOM 0 HG21 ILE B 88 -11.282 6.590 -24.871 1.00 0.00 H new ATOM 0 HG22 ILE B 88 -11.260 8.217 -24.152 1.00 0.00 H new ATOM 0 HG23 ILE B 88 -11.001 8.014 -25.901 1.00 0.00 H new ATOM 0 HD11 ILE B 88 -8.372 4.437 -26.130 1.00 0.00 H new ATOM 0 HD12 ILE B 88 -8.362 4.851 -24.399 1.00 0.00 H new ATOM 0 HD13 ILE B 88 -9.901 4.793 -25.291 1.00 0.00 H new ATOM 1058 N LEU B 89 -9.100 9.527 -22.462 1.00 0.00 N ATOM 1059 CA LEU B 89 -9.691 10.343 -21.408 1.00 0.00 C ATOM 1060 C LEU B 89 -9.338 11.815 -21.595 1.00 0.00 C ATOM 1061 O LEU B 89 -10.217 12.676 -21.627 1.00 0.00 O ATOM 1062 CB LEU B 89 -9.214 9.863 -20.036 1.00 0.00 C ATOM 1063 CG LEU B 89 -9.849 8.572 -19.518 1.00 0.00 C ATOM 1064 CD1 LEU B 89 -9.231 8.169 -18.188 1.00 0.00 C ATOM 1065 CD2 LEU B 89 -11.355 8.737 -19.380 1.00 0.00 C ATOM 0 H LEU B 89 -8.500 8.774 -22.125 1.00 0.00 H new ATOM 0 HA LEU B 89 -10.774 10.238 -21.467 1.00 0.00 H new ATOM 0 HB2 LEU B 89 -8.134 9.721 -20.078 1.00 0.00 H new ATOM 0 HB3 LEU B 89 -9.404 10.654 -19.310 1.00 0.00 H new ATOM 0 HG LEU B 89 -9.655 7.779 -20.240 1.00 0.00 H new ATOM 0 HD11 LEU B 89 -9.695 7.248 -17.835 1.00 0.00 H new ATOM 0 HD12 LEU B 89 -8.161 8.009 -18.318 1.00 0.00 H new ATOM 0 HD13 LEU B 89 -9.393 8.961 -17.457 1.00 0.00 H new ATOM 0 HD21 LEU B 89 -11.790 7.809 -19.010 1.00 0.00 H new ATOM 0 HD22 LEU B 89 -11.570 9.543 -18.679 1.00 0.00 H new ATOM 0 HD23 LEU B 89 -11.785 8.978 -20.352 1.00 0.00 H new ATOM 1077 N LEU B 90 -8.046 12.096 -21.722 1.00 0.00 N ATOM 1078 CA LEU B 90 -7.575 13.464 -21.910 1.00 0.00 C ATOM 1079 C LEU B 90 -8.209 14.093 -23.146 1.00 0.00 C ATOM 1080 O LEU B 90 -8.755 15.195 -23.084 1.00 0.00 O ATOM 1081 CB LEU B 90 -6.051 13.487 -22.035 1.00 0.00 C ATOM 1082 CG LEU B 90 -5.267 13.213 -20.751 1.00 0.00 C ATOM 1083 CD1 LEU B 90 -3.844 12.788 -21.075 1.00 0.00 C ATOM 1084 CD2 LEU B 90 -5.267 14.442 -19.854 1.00 0.00 C ATOM 0 H LEU B 90 -7.306 11.395 -21.698 1.00 0.00 H new ATOM 0 HA LEU B 90 -7.870 14.047 -21.037 1.00 0.00 H new ATOM 0 HB2 LEU B 90 -5.757 12.749 -22.781 1.00 0.00 H new ATOM 0 HB3 LEU B 90 -5.753 14.463 -22.418 1.00 0.00 H new ATOM 0 HG LEU B 90 -5.755 12.398 -20.217 1.00 0.00 H new ATOM 0 HD11 LEU B 90 -3.301 12.597 -20.149 1.00 0.00 H new ATOM 0 HD12 LEU B 90 -3.864 11.880 -21.678 1.00 0.00 H new ATOM 0 HD13 LEU B 90 -3.345 13.582 -21.631 1.00 0.00 H new ATOM 0 HD21 LEU B 90 -4.705 14.229 -18.945 1.00 0.00 H new ATOM 0 HD22 LEU B 90 -4.804 15.277 -20.380 1.00 0.00 H new ATOM 0 HD23 LEU B 90 -6.293 14.702 -19.593 1.00 0.00 H new ATOM 1096 N ILE B 91 -8.133 13.385 -24.268 1.00 0.00 N ATOM 1097 CA ILE B 91 -8.703 13.873 -25.518 1.00 0.00 C ATOM 1098 C ILE B 91 -10.179 14.218 -25.353 1.00 0.00 C ATOM 1099 O ILE B 91 -10.625 15.291 -25.757 1.00 0.00 O ATOM 1100 CB ILE B 91 -8.553 12.836 -26.647 1.00 0.00 C ATOM 1101 CG1 ILE B 91 -7.077 12.649 -27.006 1.00 0.00 C ATOM 1102 CG2 ILE B 91 -9.351 13.265 -27.870 1.00 0.00 C ATOM 1103 CD1 ILE B 91 -6.789 11.348 -27.721 1.00 0.00 C ATOM 0 H ILE B 91 -7.683 12.472 -24.337 1.00 0.00 H new ATOM 0 HA ILE B 91 -8.150 14.774 -25.786 1.00 0.00 H new ATOM 0 HB ILE B 91 -8.946 11.881 -26.297 1.00 0.00 H new ATOM 0 HG12 ILE B 91 -6.757 13.479 -27.636 1.00 0.00 H new ATOM 0 HG13 ILE B 91 -6.481 12.693 -26.094 1.00 0.00 H new ATOM 0 HG21 ILE B 91 -9.235 12.522 -28.659 1.00 0.00 H new ATOM 0 HG22 ILE B 91 -10.405 13.351 -27.605 1.00 0.00 H new ATOM 0 HG23 ILE B 91 -8.986 14.229 -28.223 1.00 0.00 H new ATOM 0 HD11 ILE B 91 -5.724 11.283 -27.944 1.00 0.00 H new ATOM 0 HD12 ILE B 91 -7.078 10.511 -27.085 1.00 0.00 H new ATOM 0 HD13 ILE B 91 -7.357 11.310 -28.650 1.00 0.00 H new ATOM 1115 N SER B 92 -10.932 13.301 -24.754 1.00 0.00 N ATOM 1116 CA SER B 92 -12.359 13.507 -24.536 1.00 0.00 C ATOM 1117 C SER B 92 -12.609 14.803 -23.770 1.00 0.00 C ATOM 1118 O SER B 92 -13.659 15.430 -23.916 1.00 0.00 O ATOM 1119 CB SER B 92 -12.955 12.325 -23.769 1.00 0.00 C ATOM 1120 OG SER B 92 -14.371 12.373 -23.779 1.00 0.00 O ATOM 0 H SER B 92 -10.578 12.408 -24.411 1.00 0.00 H new ATOM 0 HA SER B 92 -12.844 13.581 -25.509 1.00 0.00 H new ATOM 0 HB2 SER B 92 -12.616 11.390 -24.215 1.00 0.00 H new ATOM 0 HB3 SER B 92 -12.595 12.336 -22.740 1.00 0.00 H new ATOM 0 HG SER B 92 -14.728 11.606 -23.284 1.00 0.00 H new ATOM 1126 N TYR B 93 -11.638 15.197 -22.954 1.00 0.00 N ATOM 1127 CA TYR B 93 -11.754 16.417 -22.163 1.00 0.00 C ATOM 1128 C TYR B 93 -11.608 17.654 -23.044 1.00 0.00 C ATOM 1129 O TYR B 93 -12.280 18.663 -22.833 1.00 0.00 O ATOM 1130 CB TYR B 93 -10.695 16.436 -21.059 1.00 0.00 C ATOM 1131 CG TYR B 93 -11.018 17.383 -19.926 1.00 0.00 C ATOM 1132 CD1 TYR B 93 -12.100 17.149 -19.086 1.00 0.00 C ATOM 1133 CD2 TYR B 93 -10.242 18.512 -19.695 1.00 0.00 C ATOM 1134 CE1 TYR B 93 -12.400 18.012 -18.050 1.00 0.00 C ATOM 1135 CE2 TYR B 93 -10.533 19.379 -18.660 1.00 0.00 C ATOM 1136 CZ TYR B 93 -11.613 19.125 -17.841 1.00 0.00 C ATOM 1137 OH TYR B 93 -11.908 19.988 -16.810 1.00 0.00 O ATOM 0 H TYR B 93 -10.763 14.690 -22.823 1.00 0.00 H new ATOM 0 HA TYR B 93 -12.745 16.432 -21.708 1.00 0.00 H new ATOM 0 HB2 TYR B 93 -10.582 15.429 -20.658 1.00 0.00 H new ATOM 0 HB3 TYR B 93 -9.735 16.716 -21.493 1.00 0.00 H new ATOM 0 HD1 TYR B 93 -12.717 16.277 -19.246 1.00 0.00 H new ATOM 0 HD2 TYR B 93 -9.397 18.715 -20.336 1.00 0.00 H new ATOM 0 HE1 TYR B 93 -13.246 17.816 -17.408 1.00 0.00 H new ATOM 0 HE2 TYR B 93 -9.918 20.251 -18.493 1.00 0.00 H new ATOM 0 HH TYR B 93 -11.256 20.720 -16.799 1.00 0.00 H new ATOM 1147 N GLY B 94 -10.725 17.567 -24.034 1.00 0.00 N ATOM 1148 CA GLY B 94 -10.506 18.684 -24.933 1.00 0.00 C ATOM 1149 C GLY B 94 -11.734 19.011 -25.761 1.00 0.00 C ATOM 1150 O GLY B 94 -12.022 20.180 -26.020 1.00 0.00 O ATOM 0 H GLY B 94 -10.157 16.742 -24.229 1.00 0.00 H new ATOM 0 HA2 GLY B 94 -10.218 19.561 -24.354 1.00 0.00 H new ATOM 0 HA3 GLY B 94 -9.674 18.453 -25.598 1.00 0.00 H new ATOM 1154 N ILE B 95 -12.457 17.978 -26.177 1.00 0.00 N ATOM 1155 CA ILE B 95 -13.659 18.161 -26.981 1.00 0.00 C ATOM 1156 C ILE B 95 -14.745 18.881 -26.188 1.00 0.00 C ATOM 1157 O ILE B 95 -15.551 19.622 -26.751 1.00 0.00 O ATOM 1158 CB ILE B 95 -14.213 16.814 -27.482 1.00 0.00 C ATOM 1159 CG1 ILE B 95 -13.165 16.092 -28.332 1.00 0.00 C ATOM 1160 CG2 ILE B 95 -15.491 17.030 -28.278 1.00 0.00 C ATOM 1161 CD1 ILE B 95 -13.509 14.647 -28.616 1.00 0.00 C ATOM 0 H ILE B 95 -12.232 17.005 -25.971 1.00 0.00 H new ATOM 0 HA ILE B 95 -13.375 18.769 -27.840 1.00 0.00 H new ATOM 0 HB ILE B 95 -14.447 16.190 -26.619 1.00 0.00 H new ATOM 0 HG12 ILE B 95 -13.048 16.622 -29.277 1.00 0.00 H new ATOM 0 HG13 ILE B 95 -12.203 16.134 -27.822 1.00 0.00 H new ATOM 0 HG21 ILE B 95 -15.870 16.069 -28.625 1.00 0.00 H new ATOM 0 HG22 ILE B 95 -16.238 17.507 -27.644 1.00 0.00 H new ATOM 0 HG23 ILE B 95 -15.282 17.669 -29.136 1.00 0.00 H new ATOM 0 HD11 ILE B 95 -12.723 14.198 -29.223 1.00 0.00 H new ATOM 0 HD12 ILE B 95 -13.597 14.102 -27.676 1.00 0.00 H new ATOM 0 HD13 ILE B 95 -14.455 14.597 -29.154 1.00 0.00 H new ATOM 1173 N ARG B 96 -14.760 18.658 -24.878 1.00 0.00 N ATOM 1174 CA ARG B 96 -15.747 19.286 -24.007 1.00 0.00 C ATOM 1175 C ARG B 96 -15.416 20.759 -23.784 1.00 0.00 C ATOM 1176 O ARG B 96 -16.301 21.614 -23.808 1.00 0.00 O ATOM 1177 CB ARG B 96 -15.810 18.557 -22.664 1.00 0.00 C ATOM 1178 CG ARG B 96 -17.207 18.499 -22.067 1.00 0.00 C ATOM 1179 CD ARG B 96 -17.560 19.793 -21.351 1.00 0.00 C ATOM 1180 NE ARG B 96 -18.582 20.553 -22.066 1.00 0.00 N ATOM 1181 CZ ARG B 96 -19.846 20.160 -22.179 1.00 0.00 C ATOM 1182 NH1 ARG B 96 -20.241 19.021 -21.627 1.00 0.00 N ATOM 1183 NH2 ARG B 96 -20.717 20.906 -22.846 1.00 0.00 N ATOM 0 H ARG B 96 -14.100 18.047 -24.396 1.00 0.00 H new ATOM 0 HA ARG B 96 -16.720 19.220 -24.494 1.00 0.00 H new ATOM 0 HB2 ARG B 96 -15.437 17.541 -22.794 1.00 0.00 H new ATOM 0 HB3 ARG B 96 -15.143 19.054 -21.959 1.00 0.00 H new ATOM 0 HG2 ARG B 96 -17.934 18.309 -22.857 1.00 0.00 H new ATOM 0 HG3 ARG B 96 -17.271 17.666 -21.367 1.00 0.00 H new ATOM 0 HD2 ARG B 96 -17.914 19.566 -20.346 1.00 0.00 H new ATOM 0 HD3 ARG B 96 -16.664 20.404 -21.243 1.00 0.00 H new ATOM 0 HE ARG B 96 -18.310 21.434 -22.503 1.00 0.00 H new ATOM 0 HH11 ARG B 96 -19.574 18.444 -21.114 1.00 0.00 H new ATOM 0 HH12 ARG B 96 -21.212 18.721 -21.715 1.00 0.00 H new ATOM 0 HH21 ARG B 96 -20.416 21.782 -23.273 1.00 0.00 H new ATOM 0 HH22 ARG B 96 -21.687 20.603 -22.932 1.00 0.00 H new ATOM 1197 N ARG B 97 -14.137 21.046 -23.567 1.00 0.00 N ATOM 1198 CA ARG B 97 -13.689 22.415 -23.338 1.00 0.00 C ATOM 1199 C ARG B 97 -14.477 23.061 -22.202 1.00 0.00 C ATOM 1200 O ARG B 97 -14.649 24.280 -22.166 1.00 0.00 O ATOM 1201 CB ARG B 97 -13.841 23.244 -24.614 1.00 0.00 C ATOM 1202 CG ARG B 97 -13.073 24.555 -24.583 1.00 0.00 C ATOM 1203 CD ARG B 97 -12.670 24.998 -25.981 1.00 0.00 C ATOM 1204 NE ARG B 97 -11.655 24.123 -26.561 1.00 0.00 N ATOM 1205 CZ ARG B 97 -11.290 24.165 -27.838 1.00 0.00 C ATOM 1206 NH1 ARG B 97 -11.855 25.036 -28.663 1.00 0.00 N ATOM 1207 NH2 ARG B 97 -10.359 23.336 -28.291 1.00 0.00 N ATOM 0 H ARG B 97 -13.392 20.349 -23.545 1.00 0.00 H new ATOM 0 HA ARG B 97 -12.636 22.384 -23.056 1.00 0.00 H new ATOM 0 HB2 ARG B 97 -13.500 22.653 -25.464 1.00 0.00 H new ATOM 0 HB3 ARG B 97 -14.898 23.455 -24.776 1.00 0.00 H new ATOM 0 HG2 ARG B 97 -13.687 25.327 -24.119 1.00 0.00 H new ATOM 0 HG3 ARG B 97 -12.182 24.442 -23.965 1.00 0.00 H new ATOM 0 HD2 ARG B 97 -13.549 25.010 -26.625 1.00 0.00 H new ATOM 0 HD3 ARG B 97 -12.289 26.019 -25.942 1.00 0.00 H new ATOM 0 HE ARG B 97 -11.201 23.442 -25.952 1.00 0.00 H new ATOM 0 HH11 ARG B 97 -12.571 25.675 -28.318 1.00 0.00 H new ATOM 0 HH12 ARG B 97 -11.574 25.067 -29.643 1.00 0.00 H new ATOM 0 HH21 ARG B 97 -9.922 22.665 -27.659 1.00 0.00 H new ATOM 0 HH22 ARG B 97 -10.080 23.369 -29.271 1.00 0.00 H new ATOM 1221 N LEU B 98 -14.954 22.236 -21.276 1.00 0.00 N ATOM 1222 CA LEU B 98 -15.725 22.727 -20.139 1.00 0.00 C ATOM 1223 C LEU B 98 -16.860 23.635 -20.601 1.00 0.00 C ATOM 1224 O LEU B 98 -17.325 23.535 -21.736 1.00 0.00 O ATOM 1225 CB LEU B 98 -14.815 23.483 -19.169 1.00 0.00 C ATOM 1226 CG LEU B 98 -15.479 24.006 -17.895 1.00 0.00 C ATOM 1227 CD1 LEU B 98 -15.593 22.898 -16.859 1.00 0.00 C ATOM 1228 CD2 LEU B 98 -14.699 25.186 -17.333 1.00 0.00 C ATOM 0 H LEU B 98 -14.821 21.225 -21.290 1.00 0.00 H new ATOM 0 HA LEU B 98 -16.158 21.867 -19.627 1.00 0.00 H new ATOM 0 HB2 LEU B 98 -13.995 22.824 -18.883 1.00 0.00 H new ATOM 0 HB3 LEU B 98 -14.375 24.328 -19.699 1.00 0.00 H new ATOM 0 HG LEU B 98 -16.484 24.346 -18.145 1.00 0.00 H new ATOM 0 HD11 LEU B 98 -16.068 23.289 -15.959 1.00 0.00 H new ATOM 0 HD12 LEU B 98 -16.195 22.083 -17.262 1.00 0.00 H new ATOM 0 HD13 LEU B 98 -14.598 22.527 -16.612 1.00 0.00 H new ATOM 0 HD21 LEU B 98 -15.186 25.545 -16.426 1.00 0.00 H new ATOM 0 HD22 LEU B 98 -13.682 24.871 -17.098 1.00 0.00 H new ATOM 0 HD23 LEU B 98 -14.670 25.987 -18.071 1.00 0.00 H new TER 1240 LEU B 98