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 Single : A 63 GLN : amide:sc= 0 X(o=0,f=-0.038) USER MOD Single : A 66 HIS : no HD1:sc= -0.0302 X(o=-0.03,f=-0.018) USER MOD Single : A 67 HIS : no HD1:sc= -0.218 K(o=-0.22,f=-0.88) USER MOD Single : A 69 SER OG : rot -121:sc= 0.418 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 -38:sc= -2.43! USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : B 63 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : B 66 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 67 HIS : no HD1:sc= -0.0499 X(o=-0.05,f=0) USER MOD Single : B 69 SER OG : rot -165:sc= 0.285 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 -36:sc= -1.23 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 -7.826 -10.524 -19.890 1.00 0.00 N ATOM 2 CA ARG A 61 -6.811 -11.561 -20.036 1.00 0.00 C ATOM 3 C ARG A 61 -5.411 -10.977 -19.876 1.00 0.00 C ATOM 4 O ARG A 61 -4.676 -10.821 -20.852 1.00 0.00 O ATOM 5 CB ARG A 61 -6.939 -12.240 -21.401 1.00 0.00 C ATOM 6 CG ARG A 61 -8.312 -12.840 -21.656 1.00 0.00 C ATOM 7 CD ARG A 61 -8.433 -14.230 -21.051 1.00 0.00 C ATOM 8 NE ARG A 61 -8.666 -14.180 -19.610 1.00 0.00 N ATOM 9 CZ ARG A 61 -8.598 -15.244 -18.817 1.00 0.00 C ATOM 10 NH1 ARG A 61 -8.305 -16.434 -19.323 1.00 0.00 N ATOM 11 NH2 ARG A 61 -8.823 -15.119 -17.515 1.00 0.00 N ATOM 0 HA ARG A 61 -6.969 -12.302 -19.252 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -6.719 -11.512 -22.182 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -6.188 -13.026 -21.478 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -9.078 -12.190 -21.234 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -8.494 -12.892 -22.729 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -9.251 -14.765 -21.532 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -7.522 -14.794 -21.252 1.00 0.00 H new ATOM 0 HE ARG A 61 -8.893 -13.279 -19.189 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -8.131 -16.534 -20.323 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -8.253 -17.249 -18.712 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -9.049 -14.205 -17.122 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -8.770 -15.937 -16.908 1.00 0.00 H new ATOM 25 N VAL A 62 -5.047 -10.655 -18.639 1.00 0.00 N ATOM 26 CA VAL A 62 -3.735 -10.089 -18.350 1.00 0.00 C ATOM 27 C VAL A 62 -3.241 -10.520 -16.974 1.00 0.00 C ATOM 28 O VAL A 62 -3.996 -10.512 -16.002 1.00 0.00 O ATOM 29 CB VAL A 62 -3.761 -8.550 -18.415 1.00 0.00 C ATOM 30 CG1 VAL A 62 -3.943 -8.079 -19.849 1.00 0.00 C ATOM 31 CG2 VAL A 62 -4.861 -7.998 -17.520 1.00 0.00 C ATOM 0 H VAL A 62 -5.643 -10.777 -17.820 1.00 0.00 H new ATOM 0 HA VAL A 62 -3.053 -10.466 -19.112 1.00 0.00 H new ATOM 0 HB VAL A 62 -2.805 -8.172 -18.053 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -3.959 -6.989 -19.875 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -3.117 -8.444 -20.460 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -4.883 -8.465 -20.242 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -4.865 -6.910 -17.578 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -5.826 -8.383 -17.850 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -4.681 -8.306 -16.490 1.00 0.00 H new ATOM 41 N GLN A 63 -1.968 -10.897 -16.900 1.00 0.00 N ATOM 42 CA GLN A 63 -1.373 -11.332 -15.642 1.00 0.00 C ATOM 43 C GLN A 63 -1.060 -10.139 -14.746 1.00 0.00 C ATOM 44 O GLN A 63 -1.256 -8.987 -15.137 1.00 0.00 O ATOM 45 CB GLN A 63 -0.098 -12.134 -15.907 1.00 0.00 C ATOM 46 CG GLN A 63 -0.113 -13.524 -15.290 1.00 0.00 C ATOM 47 CD GLN A 63 -0.820 -14.542 -16.163 1.00 0.00 C ATOM 48 OE1 GLN A 63 -0.432 -14.769 -17.309 1.00 0.00 O ATOM 49 NE2 GLN A 63 -1.862 -15.163 -15.624 1.00 0.00 N ATOM 0 H GLN A 63 -1.330 -10.910 -17.696 1.00 0.00 H new ATOM 0 HA GLN A 63 -2.094 -11.968 -15.129 1.00 0.00 H new ATOM 0 HB2 GLN A 63 0.047 -12.225 -16.984 1.00 0.00 H new ATOM 0 HB3 GLN A 63 0.756 -11.581 -15.516 1.00 0.00 H new ATOM 0 HG2 GLN A 63 0.912 -13.851 -15.115 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -0.604 -13.481 -14.318 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -2.149 -14.944 -14.670 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -2.376 -15.860 -16.164 1.00 0.00 H new ATOM 58 N LEU A 64 -0.572 -10.420 -13.543 1.00 0.00 N ATOM 59 CA LEU A 64 -0.231 -9.369 -12.590 1.00 0.00 C ATOM 60 C LEU A 64 0.824 -9.853 -11.600 1.00 0.00 C ATOM 61 O LEU A 64 0.499 -10.436 -10.567 1.00 0.00 O ATOM 62 CB LEU A 64 -1.482 -8.911 -11.837 1.00 0.00 C ATOM 63 CG LEU A 64 -2.336 -10.019 -11.220 1.00 0.00 C ATOM 64 CD1 LEU A 64 -2.910 -9.569 -9.885 1.00 0.00 C ATOM 65 CD2 LEU A 64 -3.452 -10.425 -12.172 1.00 0.00 C ATOM 0 H LEU A 64 -0.403 -11.367 -13.204 1.00 0.00 H new ATOM 0 HA LEU A 64 0.179 -8.527 -13.147 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -1.175 -8.231 -11.042 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.106 -8.338 -12.523 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.700 -10.887 -11.046 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -3.515 -10.370 -9.460 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -2.096 -9.328 -9.202 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.531 -8.686 -10.035 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -4.050 -11.215 -11.716 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -4.086 -9.563 -12.378 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -3.020 -10.789 -13.104 1.00 0.00 H new ATOM 77 N ALA A 65 2.089 -9.603 -11.923 1.00 0.00 N ATOM 78 CA ALA A 65 3.191 -10.009 -11.061 1.00 0.00 C ATOM 79 C ALA A 65 4.471 -9.260 -11.417 1.00 0.00 C ATOM 80 O ALA A 65 5.380 -9.821 -12.031 1.00 0.00 O ATOM 81 CB ALA A 65 3.412 -11.511 -11.158 1.00 0.00 C ATOM 0 H ALA A 65 2.375 -9.121 -12.775 1.00 0.00 H new ATOM 0 HA ALA A 65 2.927 -9.758 -10.034 1.00 0.00 H new ATOM 0 HB1 ALA A 65 4.238 -11.800 -10.509 1.00 0.00 H new ATOM 0 HB2 ALA A 65 2.507 -12.033 -10.847 1.00 0.00 H new ATOM 0 HB3 ALA A 65 3.649 -11.778 -12.188 1.00 0.00 H new ATOM 87 N HIS A 66 4.536 -7.991 -11.029 1.00 0.00 N ATOM 88 CA HIS A 66 5.706 -7.165 -11.307 1.00 0.00 C ATOM 89 C HIS A 66 6.866 -7.539 -10.391 1.00 0.00 C ATOM 90 O HIS A 66 6.965 -7.049 -9.265 1.00 0.00 O ATOM 91 CB HIS A 66 5.363 -5.685 -11.137 1.00 0.00 C ATOM 92 CG HIS A 66 5.737 -4.843 -12.319 1.00 0.00 C ATOM 93 ND1 HIS A 66 4.891 -3.907 -12.874 1.00 0.00 N ATOM 94 CD2 HIS A 66 6.875 -4.801 -13.050 1.00 0.00 C ATOM 95 CE1 HIS A 66 5.492 -3.325 -13.896 1.00 0.00 C ATOM 96 NE2 HIS A 66 6.698 -3.849 -14.024 1.00 0.00 N ATOM 0 H HIS A 66 3.793 -7.512 -10.521 1.00 0.00 H new ATOM 0 HA HIS A 66 6.009 -7.344 -12.338 1.00 0.00 H new ATOM 0 HB2 HIS A 66 4.293 -5.587 -10.956 1.00 0.00 H new ATOM 0 HB3 HIS A 66 5.872 -5.302 -10.253 1.00 0.00 H new ATOM 0 HD2 HIS A 66 7.758 -5.404 -12.896 1.00 0.00 H new ATOM 0 HE1 HIS A 66 5.069 -2.552 -14.521 1.00 0.00 H new ATOM 0 HE2 HIS A 66 7.386 -3.589 -14.731 1.00 0.00 H new ATOM 104 N HIS A 67 7.742 -8.412 -10.879 1.00 0.00 N ATOM 105 CA HIS A 67 8.896 -8.852 -10.103 1.00 0.00 C ATOM 106 C HIS A 67 9.689 -7.657 -9.582 1.00 0.00 C ATOM 107 O HIS A 67 9.427 -6.514 -9.958 1.00 0.00 O ATOM 108 CB HIS A 67 9.799 -9.745 -10.955 1.00 0.00 C ATOM 109 CG HIS A 67 9.359 -11.176 -10.996 1.00 0.00 C ATOM 110 ND1 HIS A 67 9.349 -11.993 -9.884 1.00 0.00 N ATOM 111 CD2 HIS A 67 8.910 -11.936 -12.023 1.00 0.00 C ATOM 112 CE1 HIS A 67 8.914 -13.193 -10.226 1.00 0.00 C ATOM 113 NE2 HIS A 67 8.641 -13.184 -11.518 1.00 0.00 N ATOM 0 H HIS A 67 7.675 -8.828 -11.808 1.00 0.00 H new ATOM 0 HA HIS A 67 8.532 -9.424 -9.249 1.00 0.00 H new ATOM 0 HB2 HIS A 67 9.829 -9.353 -11.972 1.00 0.00 H new ATOM 0 HB3 HIS A 67 10.816 -9.697 -10.565 1.00 0.00 H new ATOM 0 HD2 HIS A 67 8.787 -11.619 -13.048 1.00 0.00 H new ATOM 0 HE1 HIS A 67 8.801 -14.037 -9.562 1.00 0.00 H new ATOM 0 HE2 HIS A 67 8.287 -13.976 -12.054 1.00 0.00 H new ATOM 121 N PHE A 68 10.658 -7.929 -8.715 1.00 0.00 N ATOM 122 CA PHE A 68 11.488 -6.876 -8.141 1.00 0.00 C ATOM 123 C PHE A 68 12.092 -6.002 -9.236 1.00 0.00 C ATOM 124 O PHE A 68 12.053 -6.350 -10.416 1.00 0.00 O ATOM 125 CB PHE A 68 12.601 -7.484 -7.285 1.00 0.00 C ATOM 126 CG PHE A 68 12.812 -6.769 -5.981 1.00 0.00 C ATOM 127 CD1 PHE A 68 11.819 -6.754 -5.015 1.00 0.00 C ATOM 128 CD2 PHE A 68 14.004 -6.113 -5.721 1.00 0.00 C ATOM 129 CE1 PHE A 68 12.010 -6.098 -3.814 1.00 0.00 C ATOM 130 CE2 PHE A 68 14.202 -5.455 -4.521 1.00 0.00 C ATOM 131 CZ PHE A 68 13.203 -5.447 -3.567 1.00 0.00 C ATOM 0 H PHE A 68 10.888 -8.869 -8.394 1.00 0.00 H new ATOM 0 HA PHE A 68 10.855 -6.252 -7.511 1.00 0.00 H new ATOM 0 HB2 PHE A 68 12.364 -8.529 -7.083 1.00 0.00 H new ATOM 0 HB3 PHE A 68 13.532 -7.472 -7.852 1.00 0.00 H new ATOM 0 HD1 PHE A 68 10.884 -7.261 -5.203 1.00 0.00 H new ATOM 0 HD2 PHE A 68 14.788 -6.115 -6.464 1.00 0.00 H new ATOM 0 HE1 PHE A 68 11.228 -6.094 -3.069 1.00 0.00 H new ATOM 0 HE2 PHE A 68 15.136 -4.948 -4.330 1.00 0.00 H new ATOM 0 HZ PHE A 68 13.354 -4.933 -2.630 1.00 0.00 H new ATOM 141 N SER A 69 12.651 -4.864 -8.836 1.00 0.00 N ATOM 142 CA SER A 69 13.261 -3.937 -9.782 1.00 0.00 C ATOM 143 C SER A 69 12.334 -3.683 -10.967 1.00 0.00 C ATOM 144 O SER A 69 11.146 -4.000 -10.917 1.00 0.00 O ATOM 145 CB SER A 69 14.600 -4.488 -10.277 1.00 0.00 C ATOM 146 OG SER A 69 15.359 -3.479 -10.920 1.00 0.00 O ATOM 0 H SER A 69 12.694 -4.562 -7.863 1.00 0.00 H new ATOM 0 HA SER A 69 13.433 -2.992 -9.267 1.00 0.00 H new ATOM 0 HB2 SER A 69 15.164 -4.892 -9.436 1.00 0.00 H new ATOM 0 HB3 SER A 69 14.425 -5.312 -10.968 1.00 0.00 H new ATOM 0 HG SER A 69 15.550 -3.751 -11.842 1.00 0.00 H new ATOM 152 N GLU A 70 12.887 -3.110 -12.031 1.00 0.00 N ATOM 153 CA GLU A 70 12.110 -2.812 -13.228 1.00 0.00 C ATOM 154 C GLU A 70 13.025 -2.572 -14.425 1.00 0.00 C ATOM 155 O GLU A 70 13.125 -1.462 -14.949 1.00 0.00 O ATOM 156 CB GLU A 70 11.223 -1.587 -12.996 1.00 0.00 C ATOM 157 CG GLU A 70 11.934 -0.447 -12.286 1.00 0.00 C ATOM 158 CD GLU A 70 11.887 -0.581 -10.776 1.00 0.00 C ATOM 159 OE1 GLU A 70 10.771 -0.628 -10.218 1.00 0.00 O ATOM 160 OE2 GLU A 70 12.967 -0.639 -10.152 1.00 0.00 O ATOM 0 H GLU A 70 13.870 -2.843 -12.088 1.00 0.00 H new ATOM 0 HA GLU A 70 11.478 -3.673 -13.443 1.00 0.00 H new ATOM 0 HB2 GLU A 70 10.852 -1.230 -13.957 1.00 0.00 H new ATOM 0 HB3 GLU A 70 10.354 -1.884 -12.409 1.00 0.00 H new ATOM 0 HG2 GLU A 70 12.974 -0.413 -12.612 1.00 0.00 H new ATOM 0 HG3 GLU A 70 11.477 0.499 -12.578 1.00 0.00 H new ATOM 167 N PRO A 71 13.710 -3.636 -14.869 1.00 0.00 N ATOM 168 CA PRO A 71 14.629 -3.567 -16.009 1.00 0.00 C ATOM 169 C PRO A 71 13.898 -3.363 -17.331 1.00 0.00 C ATOM 170 O PRO A 71 14.477 -2.874 -18.301 1.00 0.00 O ATOM 171 CB PRO A 71 15.324 -4.931 -15.987 1.00 0.00 C ATOM 172 CG PRO A 71 14.359 -5.837 -15.305 1.00 0.00 C ATOM 173 CD PRO A 71 13.639 -4.989 -14.293 1.00 0.00 C ATOM 0 HA PRO A 71 15.314 -2.723 -15.930 1.00 0.00 H new ATOM 0 HB2 PRO A 71 15.547 -5.278 -16.996 1.00 0.00 H new ATOM 0 HB3 PRO A 71 16.271 -4.884 -15.449 1.00 0.00 H new ATOM 0 HG2 PRO A 71 13.659 -6.271 -16.019 1.00 0.00 H new ATOM 0 HG3 PRO A 71 14.876 -6.666 -14.822 1.00 0.00 H new ATOM 0 HD2 PRO A 71 12.608 -5.314 -14.157 1.00 0.00 H new ATOM 0 HD3 PRO A 71 14.119 -5.035 -13.316 1.00 0.00 H new ATOM 181 N GLU A 72 12.624 -3.740 -17.363 1.00 0.00 N ATOM 182 CA GLU A 72 11.815 -3.597 -18.567 1.00 0.00 C ATOM 183 C GLU A 72 11.297 -2.169 -18.709 1.00 0.00 C ATOM 184 O GLU A 72 10.289 -1.926 -19.375 1.00 0.00 O ATOM 185 CB GLU A 72 10.640 -4.577 -18.539 1.00 0.00 C ATOM 186 CG GLU A 72 11.029 -6.004 -18.887 1.00 0.00 C ATOM 187 CD GLU A 72 11.243 -6.867 -17.659 1.00 0.00 C ATOM 188 OE1 GLU A 72 10.404 -6.806 -16.736 1.00 0.00 O ATOM 189 OE2 GLU A 72 12.251 -7.604 -17.621 1.00 0.00 O ATOM 0 H GLU A 72 12.130 -4.147 -16.569 1.00 0.00 H new ATOM 0 HA GLU A 72 12.447 -3.823 -19.426 1.00 0.00 H new ATOM 0 HB2 GLU A 72 10.190 -4.564 -17.546 1.00 0.00 H new ATOM 0 HB3 GLU A 72 9.877 -4.236 -19.239 1.00 0.00 H new ATOM 0 HG2 GLU A 72 10.250 -6.448 -19.507 1.00 0.00 H new ATOM 0 HG3 GLU A 72 11.942 -5.993 -19.482 1.00 0.00 H new ATOM 196 N ILE A 73 11.992 -1.228 -18.079 1.00 0.00 N ATOM 197 CA ILE A 73 11.603 0.175 -18.135 1.00 0.00 C ATOM 198 C ILE A 73 11.338 0.615 -19.571 1.00 0.00 C ATOM 199 O ILE A 73 10.263 1.127 -19.887 1.00 0.00 O ATOM 200 CB ILE A 73 12.686 1.084 -17.524 1.00 0.00 C ATOM 201 CG1 ILE A 73 14.080 0.568 -17.885 1.00 0.00 C ATOM 202 CG2 ILE A 73 12.519 1.163 -16.013 1.00 0.00 C ATOM 203 CD1 ILE A 73 14.923 1.579 -18.631 1.00 0.00 C ATOM 0 H ILE A 73 12.828 -1.412 -17.524 1.00 0.00 H new ATOM 0 HA ILE A 73 10.687 0.272 -17.552 1.00 0.00 H new ATOM 0 HB ILE A 73 12.573 2.087 -17.936 1.00 0.00 H new ATOM 0 HG12 ILE A 73 14.599 0.277 -16.972 1.00 0.00 H new ATOM 0 HG13 ILE A 73 13.980 -0.330 -18.494 1.00 0.00 H new ATOM 0 HG21 ILE A 73 13.291 1.809 -15.595 1.00 0.00 H new ATOM 0 HG22 ILE A 73 11.537 1.572 -15.776 1.00 0.00 H new ATOM 0 HG23 ILE A 73 12.609 0.165 -15.584 1.00 0.00 H new ATOM 0 HD11 ILE A 73 15.898 1.146 -18.855 1.00 0.00 H new ATOM 0 HD12 ILE A 73 14.425 1.852 -19.561 1.00 0.00 H new ATOM 0 HD13 ILE A 73 15.054 2.469 -18.015 1.00 0.00 H new ATOM 215 N THR A 74 12.324 0.410 -20.439 1.00 0.00 N ATOM 216 CA THR A 74 12.197 0.785 -21.842 1.00 0.00 C ATOM 217 C THR A 74 10.939 0.186 -22.459 1.00 0.00 C ATOM 218 O THR A 74 10.202 0.866 -23.175 1.00 0.00 O ATOM 219 CB THR A 74 13.422 0.330 -22.657 1.00 0.00 C ATOM 220 OG1 THR A 74 14.625 0.804 -22.040 1.00 0.00 O ATOM 221 CG2 THR A 74 13.343 0.845 -24.086 1.00 0.00 C ATOM 0 H THR A 74 13.219 -0.014 -20.195 1.00 0.00 H new ATOM 0 HA THR A 74 12.131 1.873 -21.875 1.00 0.00 H new ATOM 0 HB THR A 74 13.431 -0.760 -22.680 1.00 0.00 H new ATOM 0 HG1 THR A 74 15.399 0.509 -22.563 1.00 0.00 H new ATOM 0 HG21 THR A 74 14.219 0.511 -24.642 1.00 0.00 H new ATOM 0 HG22 THR A 74 12.442 0.459 -24.562 1.00 0.00 H new ATOM 0 HG23 THR A 74 13.312 1.935 -24.079 1.00 0.00 H new ATOM 229 N LEU A 75 10.698 -1.090 -22.179 1.00 0.00 N ATOM 230 CA LEU A 75 9.527 -1.781 -22.707 1.00 0.00 C ATOM 231 C LEU A 75 8.244 -1.054 -22.318 1.00 0.00 C ATOM 232 O LEU A 75 7.384 -0.797 -23.162 1.00 0.00 O ATOM 233 CB LEU A 75 9.486 -3.222 -22.194 1.00 0.00 C ATOM 234 CG LEU A 75 10.448 -4.202 -22.867 1.00 0.00 C ATOM 235 CD1 LEU A 75 10.300 -5.591 -22.267 1.00 0.00 C ATOM 236 CD2 LEU A 75 10.208 -4.238 -24.369 1.00 0.00 C ATOM 0 H LEU A 75 11.298 -1.667 -21.589 1.00 0.00 H new ATOM 0 HA LEU A 75 9.601 -1.791 -23.794 1.00 0.00 H new ATOM 0 HB2 LEU A 75 9.698 -3.212 -21.125 1.00 0.00 H new ATOM 0 HB3 LEU A 75 8.471 -3.600 -22.314 1.00 0.00 H new ATOM 0 HG LEU A 75 11.468 -3.860 -22.691 1.00 0.00 H new ATOM 0 HD11 LEU A 75 10.992 -6.275 -22.758 1.00 0.00 H new ATOM 0 HD12 LEU A 75 10.523 -5.552 -21.201 1.00 0.00 H new ATOM 0 HD13 LEU A 75 9.278 -5.943 -22.411 1.00 0.00 H new ATOM 0 HD21 LEU A 75 10.901 -4.940 -24.832 1.00 0.00 H new ATOM 0 HD22 LEU A 75 9.184 -4.556 -24.566 1.00 0.00 H new ATOM 0 HD23 LEU A 75 10.366 -3.244 -24.787 1.00 0.00 H new ATOM 248 N ILE A 76 8.122 -0.724 -21.037 1.00 0.00 N ATOM 249 CA ILE A 76 6.946 -0.023 -20.537 1.00 0.00 C ATOM 250 C ILE A 76 6.722 1.283 -21.292 1.00 0.00 C ATOM 251 O ILE A 76 5.603 1.589 -21.704 1.00 0.00 O ATOM 252 CB ILE A 76 7.069 0.282 -19.033 1.00 0.00 C ATOM 253 CG1 ILE A 76 7.298 -1.010 -18.245 1.00 0.00 C ATOM 254 CG2 ILE A 76 5.823 0.998 -18.534 1.00 0.00 C ATOM 255 CD1 ILE A 76 6.173 -2.011 -18.386 1.00 0.00 C ATOM 0 H ILE A 76 8.824 -0.931 -20.326 1.00 0.00 H new ATOM 0 HA ILE A 76 6.094 -0.684 -20.697 1.00 0.00 H new ATOM 0 HB ILE A 76 7.927 0.936 -18.880 1.00 0.00 H new ATOM 0 HG12 ILE A 76 8.227 -1.471 -18.580 1.00 0.00 H new ATOM 0 HG13 ILE A 76 7.426 -0.765 -17.191 1.00 0.00 H new ATOM 0 HG21 ILE A 76 5.925 1.207 -17.469 1.00 0.00 H new ATOM 0 HG22 ILE A 76 5.700 1.935 -19.077 1.00 0.00 H new ATOM 0 HG23 ILE A 76 4.950 0.366 -18.698 1.00 0.00 H new ATOM 0 HD11 ILE A 76 6.403 -2.902 -17.801 1.00 0.00 H new ATOM 0 HD12 ILE A 76 5.245 -1.569 -18.024 1.00 0.00 H new ATOM 0 HD13 ILE A 76 6.059 -2.285 -19.435 1.00 0.00 H new ATOM 267 N ILE A 77 7.794 2.047 -21.472 1.00 0.00 N ATOM 268 CA ILE A 77 7.715 3.319 -22.181 1.00 0.00 C ATOM 269 C ILE A 77 7.309 3.112 -23.636 1.00 0.00 C ATOM 270 O ILE A 77 6.391 3.764 -24.134 1.00 0.00 O ATOM 271 CB ILE A 77 9.057 4.073 -22.136 1.00 0.00 C ATOM 272 CG1 ILE A 77 9.414 4.438 -20.693 1.00 0.00 C ATOM 273 CG2 ILE A 77 8.993 5.321 -23.003 1.00 0.00 C ATOM 274 CD1 ILE A 77 8.528 5.513 -20.105 1.00 0.00 C ATOM 0 H ILE A 77 8.727 1.808 -21.137 1.00 0.00 H new ATOM 0 HA ILE A 77 6.956 3.916 -21.676 1.00 0.00 H new ATOM 0 HB ILE A 77 9.836 3.421 -22.530 1.00 0.00 H new ATOM 0 HG12 ILE A 77 9.347 3.544 -20.073 1.00 0.00 H new ATOM 0 HG13 ILE A 77 10.451 4.773 -20.657 1.00 0.00 H new ATOM 0 HG21 ILE A 77 9.949 5.843 -22.961 1.00 0.00 H new ATOM 0 HG22 ILE A 77 8.780 5.037 -24.034 1.00 0.00 H new ATOM 0 HG23 ILE A 77 8.204 5.978 -22.637 1.00 0.00 H new ATOM 0 HD11 ILE A 77 8.839 5.721 -19.081 1.00 0.00 H new ATOM 0 HD12 ILE A 77 8.613 6.421 -20.701 1.00 0.00 H new ATOM 0 HD13 ILE A 77 7.492 5.173 -20.108 1.00 0.00 H new ATOM 286 N PHE A 78 7.998 2.200 -24.313 1.00 0.00 N ATOM 287 CA PHE A 78 7.709 1.906 -25.712 1.00 0.00 C ATOM 288 C PHE A 78 6.238 1.547 -25.900 1.00 0.00 C ATOM 289 O PHE A 78 5.567 2.073 -26.787 1.00 0.00 O ATOM 290 CB PHE A 78 8.593 0.760 -26.208 1.00 0.00 C ATOM 291 CG PHE A 78 8.212 0.256 -27.570 1.00 0.00 C ATOM 292 CD1 PHE A 78 8.720 0.855 -28.712 1.00 0.00 C ATOM 293 CD2 PHE A 78 7.347 -0.818 -27.710 1.00 0.00 C ATOM 294 CE1 PHE A 78 8.371 0.393 -29.967 1.00 0.00 C ATOM 295 CE2 PHE A 78 6.995 -1.284 -28.962 1.00 0.00 C ATOM 296 CZ PHE A 78 7.508 -0.678 -30.092 1.00 0.00 C ATOM 0 H PHE A 78 8.761 1.651 -23.916 1.00 0.00 H new ATOM 0 HA PHE A 78 7.924 2.800 -26.297 1.00 0.00 H new ATOM 0 HB2 PHE A 78 9.630 1.095 -26.230 1.00 0.00 H new ATOM 0 HB3 PHE A 78 8.539 -0.064 -25.496 1.00 0.00 H new ATOM 0 HD1 PHE A 78 9.396 1.692 -28.620 1.00 0.00 H new ATOM 0 HD2 PHE A 78 6.943 -1.296 -26.830 1.00 0.00 H new ATOM 0 HE1 PHE A 78 8.773 0.869 -30.849 1.00 0.00 H new ATOM 0 HE2 PHE A 78 6.319 -2.121 -29.057 1.00 0.00 H new ATOM 0 HZ PHE A 78 7.235 -1.041 -31.072 1.00 0.00 H new ATOM 306 N GLY A 79 5.743 0.646 -25.057 1.00 0.00 N ATOM 307 CA GLY A 79 4.355 0.230 -25.146 1.00 0.00 C ATOM 308 C GLY A 79 3.393 1.398 -25.055 1.00 0.00 C ATOM 309 O GLY A 79 2.557 1.593 -25.937 1.00 0.00 O ATOM 0 H GLY A 79 6.278 0.197 -24.314 1.00 0.00 H new ATOM 0 HA2 GLY A 79 4.196 -0.295 -26.088 1.00 0.00 H new ATOM 0 HA3 GLY A 79 4.139 -0.478 -24.346 1.00 0.00 H new ATOM 313 N VAL A 80 3.510 2.176 -23.984 1.00 0.00 N ATOM 314 CA VAL A 80 2.643 3.331 -23.780 1.00 0.00 C ATOM 315 C VAL A 80 2.805 4.346 -24.906 1.00 0.00 C ATOM 316 O VAL A 80 1.850 5.020 -25.290 1.00 0.00 O ATOM 317 CB VAL A 80 2.935 4.022 -22.435 1.00 0.00 C ATOM 318 CG1 VAL A 80 1.970 5.175 -22.206 1.00 0.00 C ATOM 319 CG2 VAL A 80 2.861 3.019 -21.294 1.00 0.00 C ATOM 0 H VAL A 80 4.196 2.028 -23.244 1.00 0.00 H new ATOM 0 HA VAL A 80 1.618 2.960 -23.774 1.00 0.00 H new ATOM 0 HB VAL A 80 3.946 4.428 -22.467 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.192 5.651 -21.251 1.00 0.00 H new ATOM 0 HG12 VAL A 80 2.078 5.905 -23.009 1.00 0.00 H new ATOM 0 HG13 VAL A 80 0.948 4.797 -22.194 1.00 0.00 H new ATOM 0 HG21 VAL A 80 3.070 3.524 -20.351 1.00 0.00 H new ATOM 0 HG22 VAL A 80 1.863 2.582 -21.258 1.00 0.00 H new ATOM 0 HG23 VAL A 80 3.597 2.231 -21.454 1.00 0.00 H new ATOM 329 N MET A 81 4.022 4.448 -25.432 1.00 0.00 N ATOM 330 CA MET A 81 4.309 5.380 -26.516 1.00 0.00 C ATOM 331 C MET A 81 3.548 4.994 -27.781 1.00 0.00 C ATOM 332 O MET A 81 2.919 5.837 -28.419 1.00 0.00 O ATOM 333 CB MET A 81 5.811 5.416 -26.802 1.00 0.00 C ATOM 334 CG MET A 81 6.604 6.226 -25.788 1.00 0.00 C ATOM 335 SD MET A 81 6.457 8.004 -26.053 1.00 0.00 S ATOM 336 CE MET A 81 8.109 8.547 -25.624 1.00 0.00 C ATOM 0 H MET A 81 4.824 3.897 -25.125 1.00 0.00 H new ATOM 0 HA MET A 81 3.982 6.372 -26.205 1.00 0.00 H new ATOM 0 HB2 MET A 81 6.194 4.396 -26.819 1.00 0.00 H new ATOM 0 HB3 MET A 81 5.973 5.834 -27.796 1.00 0.00 H new ATOM 0 HG2 MET A 81 6.258 5.982 -24.783 1.00 0.00 H new ATOM 0 HG3 MET A 81 7.654 5.940 -25.842 1.00 0.00 H new ATOM 0 HE1 MET A 81 8.177 9.629 -25.738 1.00 0.00 H new ATOM 0 HE2 MET A 81 8.324 8.277 -24.590 1.00 0.00 H new ATOM 0 HE3 MET A 81 8.832 8.066 -26.283 1.00 0.00 H new ATOM 346 N ALA A 82 3.611 3.715 -28.137 1.00 0.00 N ATOM 347 CA ALA A 82 2.926 3.218 -29.324 1.00 0.00 C ATOM 348 C ALA A 82 1.413 3.324 -29.169 1.00 0.00 C ATOM 349 O ALA A 82 0.714 3.748 -30.088 1.00 0.00 O ATOM 350 CB ALA A 82 3.332 1.778 -29.602 1.00 0.00 C ATOM 0 H ALA A 82 4.129 3.004 -27.620 1.00 0.00 H new ATOM 0 HA ALA A 82 3.221 3.837 -30.171 1.00 0.00 H new ATOM 0 HB1 ALA A 82 2.813 1.419 -30.491 1.00 0.00 H new ATOM 0 HB2 ALA A 82 4.409 1.729 -29.765 1.00 0.00 H new ATOM 0 HB3 ALA A 82 3.065 1.154 -28.749 1.00 0.00 H new ATOM 356 N GLY A 83 0.913 2.934 -28.000 1.00 0.00 N ATOM 357 CA GLY A 83 -0.515 2.992 -27.748 1.00 0.00 C ATOM 358 C GLY A 83 -1.052 4.409 -27.780 1.00 0.00 C ATOM 359 O GLY A 83 -2.026 4.696 -28.476 1.00 0.00 O ATOM 0 H GLY A 83 1.471 2.579 -27.224 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -1.037 2.392 -28.493 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -0.728 2.548 -26.775 1.00 0.00 H new ATOM 363 N VAL A 84 -0.417 5.298 -27.022 1.00 0.00 N ATOM 364 CA VAL A 84 -0.838 6.693 -26.966 1.00 0.00 C ATOM 365 C VAL A 84 -0.915 7.300 -28.362 1.00 0.00 C ATOM 366 O VAL A 84 -1.977 7.746 -28.798 1.00 0.00 O ATOM 367 CB VAL A 84 0.123 7.534 -26.105 1.00 0.00 C ATOM 368 CG1 VAL A 84 -0.161 9.018 -26.282 1.00 0.00 C ATOM 369 CG2 VAL A 84 0.015 7.133 -24.641 1.00 0.00 C ATOM 0 H VAL A 84 0.390 5.077 -26.439 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.829 6.707 -26.512 1.00 0.00 H new ATOM 0 HB VAL A 84 1.143 7.342 -26.437 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.528 9.596 -25.666 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.029 9.291 -27.329 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -1.186 9.231 -25.978 1.00 0.00 H new ATOM 0 HG21 VAL A 84 0.701 7.737 -24.047 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.005 7.295 -24.294 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.272 6.079 -24.532 1.00 0.00 H new ATOM 379 N ILE A 85 0.216 7.313 -29.059 1.00 0.00 N ATOM 380 CA ILE A 85 0.276 7.864 -30.407 1.00 0.00 C ATOM 381 C ILE A 85 -0.744 7.194 -31.321 1.00 0.00 C ATOM 382 O ILE A 85 -1.359 7.843 -32.166 1.00 0.00 O ATOM 383 CB ILE A 85 1.680 7.705 -31.019 1.00 0.00 C ATOM 384 CG1 ILE A 85 2.600 8.829 -30.539 1.00 0.00 C ATOM 385 CG2 ILE A 85 1.597 7.692 -32.538 1.00 0.00 C ATOM 386 CD1 ILE A 85 3.151 8.607 -29.148 1.00 0.00 C ATOM 0 H ILE A 85 1.103 6.948 -28.712 1.00 0.00 H new ATOM 0 HA ILE A 85 0.043 8.926 -30.324 1.00 0.00 H new ATOM 0 HB ILE A 85 2.098 6.754 -30.690 1.00 0.00 H new ATOM 0 HG12 ILE A 85 3.430 8.931 -31.238 1.00 0.00 H new ATOM 0 HG13 ILE A 85 2.050 9.770 -30.557 1.00 0.00 H new ATOM 0 HG21 ILE A 85 2.597 7.579 -32.956 1.00 0.00 H new ATOM 0 HG22 ILE A 85 0.972 6.859 -32.861 1.00 0.00 H new ATOM 0 HG23 ILE A 85 1.162 8.629 -32.887 1.00 0.00 H new ATOM 0 HD11 ILE A 85 3.794 9.443 -28.874 1.00 0.00 H new ATOM 0 HD12 ILE A 85 2.327 8.535 -28.438 1.00 0.00 H new ATOM 0 HD13 ILE A 85 3.729 7.683 -29.129 1.00 0.00 H new ATOM 398 N GLY A 86 -0.920 5.887 -31.144 1.00 0.00 N ATOM 399 CA GLY A 86 -1.868 5.150 -31.959 1.00 0.00 C ATOM 400 C GLY A 86 -3.289 5.651 -31.793 1.00 0.00 C ATOM 401 O GLY A 86 -3.966 5.960 -32.774 1.00 0.00 O ATOM 0 H GLY A 86 -0.423 5.327 -30.451 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -1.579 5.228 -33.007 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -1.825 4.093 -31.694 1.00 0.00 H new ATOM 405 N THR A 87 -3.745 5.731 -30.546 1.00 0.00 N ATOM 406 CA THR A 87 -5.095 6.195 -30.254 1.00 0.00 C ATOM 407 C THR A 87 -5.330 7.592 -30.818 1.00 0.00 C ATOM 408 O THR A 87 -6.383 7.869 -31.393 1.00 0.00 O ATOM 409 CB THR A 87 -5.368 6.212 -28.738 1.00 0.00 C ATOM 410 OG1 THR A 87 -4.788 5.057 -28.123 1.00 0.00 O ATOM 411 CG2 THR A 87 -6.862 6.246 -28.458 1.00 0.00 C ATOM 0 H THR A 87 -3.198 5.480 -29.722 1.00 0.00 H new ATOM 0 HA THR A 87 -5.780 5.494 -30.730 1.00 0.00 H new ATOM 0 HB THR A 87 -4.916 7.111 -28.320 1.00 0.00 H new ATOM 0 HG1 THR A 87 -4.896 4.283 -28.714 1.00 0.00 H new ATOM 0 HG21 THR A 87 -7.030 6.257 -27.381 1.00 0.00 H new ATOM 0 HG22 THR A 87 -7.295 7.142 -28.903 1.00 0.00 H new ATOM 0 HG23 THR A 87 -7.333 5.363 -28.889 1.00 0.00 H new ATOM 419 N ILE A 88 -4.344 8.466 -30.649 1.00 0.00 N ATOM 420 CA ILE A 88 -4.444 9.834 -31.142 1.00 0.00 C ATOM 421 C ILE A 88 -4.745 9.858 -32.637 1.00 0.00 C ATOM 422 O ILE A 88 -5.682 10.522 -33.083 1.00 0.00 O ATOM 423 CB ILE A 88 -3.149 10.624 -30.877 1.00 0.00 C ATOM 424 CG1 ILE A 88 -2.851 10.668 -29.377 1.00 0.00 C ATOM 425 CG2 ILE A 88 -3.264 12.033 -31.441 1.00 0.00 C ATOM 426 CD1 ILE A 88 -1.391 10.905 -29.058 1.00 0.00 C ATOM 0 H ILE A 88 -3.467 8.251 -30.175 1.00 0.00 H new ATOM 0 HA ILE A 88 -5.264 10.306 -30.601 1.00 0.00 H new ATOM 0 HB ILE A 88 -2.323 10.119 -31.378 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -3.447 11.457 -28.919 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -3.166 9.728 -28.924 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -2.341 12.579 -31.246 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -3.435 11.982 -32.516 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -4.098 12.548 -30.965 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -1.253 10.924 -27.977 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -0.790 10.103 -29.486 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -1.076 11.859 -29.481 1.00 0.00 H new ATOM 438 N LEU A 89 -3.945 9.129 -33.407 1.00 0.00 N ATOM 439 CA LEU A 89 -4.126 9.065 -34.854 1.00 0.00 C ATOM 440 C LEU A 89 -5.531 8.589 -35.206 1.00 0.00 C ATOM 441 O LEU A 89 -6.245 9.239 -35.971 1.00 0.00 O ATOM 442 CB LEU A 89 -3.087 8.130 -35.476 1.00 0.00 C ATOM 443 CG LEU A 89 -1.667 8.685 -35.590 1.00 0.00 C ATOM 444 CD1 LEU A 89 -0.648 7.556 -35.550 1.00 0.00 C ATOM 445 CD2 LEU A 89 -1.513 9.500 -36.865 1.00 0.00 C ATOM 0 H LEU A 89 -3.165 8.574 -33.054 1.00 0.00 H new ATOM 0 HA LEU A 89 -3.991 10.068 -35.258 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -3.051 7.215 -34.885 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -3.428 7.853 -36.473 1.00 0.00 H new ATOM 0 HG LEU A 89 -1.485 9.342 -34.739 1.00 0.00 H new ATOM 0 HD11 LEU A 89 0.357 7.970 -35.632 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -0.741 7.015 -34.609 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -0.828 6.873 -36.380 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -0.496 9.887 -36.929 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -1.715 8.866 -37.729 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -2.217 10.332 -36.853 1.00 0.00 H new ATOM 457 N LEU A 90 -5.924 7.451 -34.642 1.00 0.00 N ATOM 458 CA LEU A 90 -7.246 6.889 -34.895 1.00 0.00 C ATOM 459 C LEU A 90 -8.341 7.882 -34.519 1.00 0.00 C ATOM 460 O LEU A 90 -9.254 8.140 -35.304 1.00 0.00 O ATOM 461 CB LEU A 90 -7.427 5.590 -34.108 1.00 0.00 C ATOM 462 CG LEU A 90 -6.623 4.387 -34.603 1.00 0.00 C ATOM 463 CD1 LEU A 90 -6.679 3.254 -33.591 1.00 0.00 C ATOM 464 CD2 LEU A 90 -7.137 3.922 -35.957 1.00 0.00 C ATOM 0 H LEU A 90 -5.346 6.900 -34.007 1.00 0.00 H new ATOM 0 HA LEU A 90 -7.326 6.676 -35.961 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -7.158 5.778 -33.069 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -8.484 5.325 -34.121 1.00 0.00 H new ATOM 0 HG LEU A 90 -5.583 4.692 -34.718 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -6.101 2.407 -33.961 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -6.261 3.592 -32.643 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -7.715 2.949 -33.443 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -6.553 3.065 -36.293 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -8.185 3.635 -35.869 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -7.042 4.732 -36.680 1.00 0.00 H new ATOM 476 N ILE A 91 -8.242 8.437 -33.316 1.00 0.00 N ATOM 477 CA ILE A 91 -9.222 9.403 -32.838 1.00 0.00 C ATOM 478 C ILE A 91 -9.374 10.562 -33.818 1.00 0.00 C ATOM 479 O ILE A 91 -10.489 10.950 -34.168 1.00 0.00 O ATOM 480 CB ILE A 91 -8.835 9.962 -31.456 1.00 0.00 C ATOM 481 CG1 ILE A 91 -8.917 8.862 -30.396 1.00 0.00 C ATOM 482 CG2 ILE A 91 -9.736 11.130 -31.085 1.00 0.00 C ATOM 483 CD1 ILE A 91 -8.046 9.121 -29.187 1.00 0.00 C ATOM 0 H ILE A 91 -7.493 8.234 -32.655 1.00 0.00 H new ATOM 0 HA ILE A 91 -10.171 8.874 -32.754 1.00 0.00 H new ATOM 0 HB ILE A 91 -7.807 10.322 -31.501 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -9.952 8.758 -30.072 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -8.627 7.913 -30.846 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -9.450 11.514 -30.106 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -9.632 11.920 -31.829 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -10.773 10.794 -31.054 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -8.155 8.300 -28.478 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -7.004 9.196 -29.498 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -8.351 10.054 -28.712 1.00 0.00 H new ATOM 495 N SER A 92 -8.246 11.110 -34.258 1.00 0.00 N ATOM 496 CA SER A 92 -8.253 12.226 -35.196 1.00 0.00 C ATOM 497 C SER A 92 -9.051 11.877 -36.449 1.00 0.00 C ATOM 498 O SER A 92 -9.640 12.751 -37.087 1.00 0.00 O ATOM 499 CB SER A 92 -6.822 12.607 -35.580 1.00 0.00 C ATOM 500 OG SER A 92 -6.804 13.425 -36.736 1.00 0.00 O ATOM 0 H SER A 92 -7.315 10.799 -33.980 1.00 0.00 H new ATOM 0 HA SER A 92 -8.729 13.076 -34.707 1.00 0.00 H new ATOM 0 HB2 SER A 92 -6.348 13.133 -34.751 1.00 0.00 H new ATOM 0 HB3 SER A 92 -6.238 11.704 -35.760 1.00 0.00 H new ATOM 0 HG SER A 92 -5.878 13.656 -36.959 1.00 0.00 H new ATOM 506 N TYR A 93 -9.067 10.595 -36.795 1.00 0.00 N ATOM 507 CA TYR A 93 -9.790 10.130 -37.972 1.00 0.00 C ATOM 508 C TYR A 93 -11.297 10.169 -37.736 1.00 0.00 C ATOM 509 O TYR A 93 -12.070 10.486 -38.639 1.00 0.00 O ATOM 510 CB TYR A 93 -9.356 8.708 -38.334 1.00 0.00 C ATOM 511 CG TYR A 93 -9.742 8.297 -39.737 1.00 0.00 C ATOM 512 CD1 TYR A 93 -8.926 8.600 -40.820 1.00 0.00 C ATOM 513 CD2 TYR A 93 -10.923 7.606 -39.980 1.00 0.00 C ATOM 514 CE1 TYR A 93 -9.274 8.226 -42.104 1.00 0.00 C ATOM 515 CE2 TYR A 93 -11.278 7.227 -41.260 1.00 0.00 C ATOM 516 CZ TYR A 93 -10.451 7.540 -42.319 1.00 0.00 C ATOM 517 OH TYR A 93 -10.802 7.166 -43.595 1.00 0.00 O ATOM 0 H TYR A 93 -8.587 9.859 -36.277 1.00 0.00 H new ATOM 0 HA TYR A 93 -9.553 10.797 -38.800 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -8.274 8.628 -38.225 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -9.800 8.010 -37.624 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -8.004 9.137 -40.655 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -11.574 7.361 -39.154 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -8.628 8.470 -42.934 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -12.198 6.688 -41.431 1.00 0.00 H new ATOM 0 HH TYR A 93 -11.659 6.690 -43.573 1.00 0.00 H new ATOM 527 N GLY A 94 -11.707 9.844 -36.514 1.00 0.00 N ATOM 528 CA GLY A 94 -13.119 9.849 -36.179 1.00 0.00 C ATOM 529 C GLY A 94 -13.729 11.235 -36.255 1.00 0.00 C ATOM 530 O GLY A 94 -14.874 11.393 -36.677 1.00 0.00 O ATOM 0 H GLY A 94 -11.086 9.577 -35.750 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -13.652 9.183 -36.857 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -13.252 9.452 -35.173 1.00 0.00 H new ATOM 534 N ILE A 95 -12.963 12.239 -35.844 1.00 0.00 N ATOM 535 CA ILE A 95 -13.435 13.618 -35.868 1.00 0.00 C ATOM 536 C ILE A 95 -13.667 14.096 -37.297 1.00 0.00 C ATOM 537 O ILE A 95 -14.547 14.918 -37.552 1.00 0.00 O ATOM 538 CB ILE A 95 -12.437 14.567 -35.177 1.00 0.00 C ATOM 539 CG1 ILE A 95 -12.225 14.148 -33.721 1.00 0.00 C ATOM 540 CG2 ILE A 95 -12.931 16.003 -35.254 1.00 0.00 C ATOM 541 CD1 ILE A 95 -10.993 14.757 -33.090 1.00 0.00 C ATOM 0 H ILE A 95 -12.013 12.124 -35.490 1.00 0.00 H new ATOM 0 HA ILE A 95 -14.379 13.637 -35.324 1.00 0.00 H new ATOM 0 HB ILE A 95 -11.481 14.504 -35.696 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -13.101 14.434 -33.138 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -12.149 13.062 -33.671 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -12.215 16.661 -34.761 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -13.035 16.297 -36.299 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -13.898 16.082 -34.757 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -10.906 14.416 -32.058 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -10.109 14.451 -33.649 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -11.075 15.844 -33.107 1.00 0.00 H new ATOM 553 N ARG A 96 -12.874 13.573 -38.226 1.00 0.00 N ATOM 554 CA ARG A 96 -12.993 13.945 -39.631 1.00 0.00 C ATOM 555 C ARG A 96 -14.247 13.334 -40.250 1.00 0.00 C ATOM 556 O ARG A 96 -14.945 13.982 -41.030 1.00 0.00 O ATOM 557 CB ARG A 96 -11.755 13.493 -40.407 1.00 0.00 C ATOM 558 CG ARG A 96 -11.025 14.629 -41.105 1.00 0.00 C ATOM 559 CD ARG A 96 -9.811 14.124 -41.869 1.00 0.00 C ATOM 560 NE ARG A 96 -9.637 14.821 -43.141 1.00 0.00 N ATOM 561 CZ ARG A 96 -8.658 14.552 -43.998 1.00 0.00 C ATOM 562 NH1 ARG A 96 -7.771 13.606 -43.721 1.00 0.00 N ATOM 563 NH2 ARG A 96 -8.566 15.229 -45.135 1.00 0.00 N ATOM 0 H ARG A 96 -12.142 12.890 -38.031 1.00 0.00 H new ATOM 0 HA ARG A 96 -13.072 15.031 -39.689 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -11.068 12.998 -39.721 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -12.052 12.753 -41.150 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -11.705 15.132 -41.792 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -10.711 15.368 -40.368 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -8.918 14.255 -41.258 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -9.917 13.055 -42.053 1.00 0.00 H new ATOM 0 HE ARG A 96 -10.303 15.554 -43.384 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -7.839 13.083 -42.848 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -7.020 13.402 -44.381 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -9.247 15.957 -45.352 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -7.814 15.022 -45.792 1.00 0.00 H new ATOM 577 N ARG A 97 -14.525 12.083 -39.898 1.00 0.00 N ATOM 578 CA ARG A 97 -15.693 11.384 -40.421 1.00 0.00 C ATOM 579 C ARG A 97 -15.682 11.372 -41.947 1.00 0.00 C ATOM 580 O ARG A 97 -16.731 11.281 -42.586 1.00 0.00 O ATOM 581 CB ARG A 97 -16.977 12.044 -39.915 1.00 0.00 C ATOM 582 CG ARG A 97 -18.026 11.051 -39.442 1.00 0.00 C ATOM 583 CD ARG A 97 -18.564 10.217 -40.593 1.00 0.00 C ATOM 584 NE ARG A 97 -19.736 9.437 -40.204 1.00 0.00 N ATOM 585 CZ ARG A 97 -20.223 8.433 -40.925 1.00 0.00 C ATOM 586 NH1 ARG A 97 -19.642 8.088 -42.066 1.00 0.00 N ATOM 587 NH2 ARG A 97 -21.293 7.771 -40.504 1.00 0.00 N ATOM 0 H ARG A 97 -13.958 11.533 -39.253 1.00 0.00 H new ATOM 0 HA ARG A 97 -15.657 10.354 -40.067 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -16.730 12.718 -39.094 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -17.400 12.655 -40.712 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -17.593 10.395 -38.687 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -18.847 11.587 -38.965 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -18.824 10.872 -41.424 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -17.783 9.545 -40.949 1.00 0.00 H new ATOM 0 HE ARG A 97 -20.206 9.676 -39.331 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -18.819 8.594 -42.392 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -20.018 7.317 -42.617 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -21.742 8.033 -39.626 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -21.666 7.000 -41.058 1.00 0.00 H new ATOM 601 N LEU A 98 -14.489 11.465 -42.525 1.00 0.00 N ATOM 602 CA LEU A 98 -14.341 11.465 -43.976 1.00 0.00 C ATOM 603 C LEU A 98 -14.317 10.041 -44.521 1.00 0.00 C ATOM 604 O LEU A 98 -15.138 9.709 -45.375 1.00 0.00 O ATOM 605 CB LEU A 98 -13.059 12.199 -44.377 1.00 0.00 C ATOM 606 CG LEU A 98 -13.047 12.811 -45.778 1.00 0.00 C ATOM 607 CD1 LEU A 98 -12.242 14.101 -45.790 1.00 0.00 C ATOM 608 CD2 LEU A 98 -12.486 11.821 -46.789 1.00 0.00 C ATOM 0 H LEU A 98 -13.611 11.541 -42.011 1.00 0.00 H new ATOM 0 HA LEU A 98 -15.199 11.983 -44.404 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -12.878 12.994 -43.653 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -12.225 11.501 -44.300 1.00 0.00 H new ATOM 0 HG LEU A 98 -14.074 13.044 -46.060 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -12.245 14.522 -46.795 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -12.687 14.814 -45.097 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -11.216 13.892 -45.487 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -12.485 12.274 -47.780 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -11.466 11.555 -46.511 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -13.104 10.923 -46.801 1.00 0.00 H new TER 620 LEU A 98 ATOM 621 N ARG B 61 18.174 -6.022 10.973 1.00 0.00 N ATOM 622 CA ARG B 61 17.389 -5.998 9.745 1.00 0.00 C ATOM 623 C ARG B 61 17.820 -7.117 8.802 1.00 0.00 C ATOM 624 O ARG B 61 18.990 -7.500 8.769 1.00 0.00 O ATOM 625 CB ARG B 61 17.536 -4.644 9.047 1.00 0.00 C ATOM 626 CG ARG B 61 16.310 -4.235 8.247 1.00 0.00 C ATOM 627 CD ARG B 61 15.295 -3.508 9.114 1.00 0.00 C ATOM 628 NE ARG B 61 14.508 -2.546 8.347 1.00 0.00 N ATOM 629 CZ ARG B 61 13.527 -1.818 8.868 1.00 0.00 C ATOM 630 NH1 ARG B 61 13.214 -1.941 10.150 1.00 0.00 N ATOM 631 NH2 ARG B 61 12.856 -0.964 8.105 1.00 0.00 N ATOM 0 HA ARG B 61 16.343 -6.152 10.009 1.00 0.00 H new ATOM 0 HB2 ARG B 61 17.743 -3.879 9.796 1.00 0.00 H new ATOM 0 HB3 ARG B 61 18.398 -4.680 8.381 1.00 0.00 H new ATOM 0 HG2 ARG B 61 16.612 -3.591 7.421 1.00 0.00 H new ATOM 0 HG3 ARG B 61 15.848 -5.120 7.809 1.00 0.00 H new ATOM 0 HD2 ARG B 61 14.628 -4.235 9.577 1.00 0.00 H new ATOM 0 HD3 ARG B 61 15.813 -2.991 9.922 1.00 0.00 H new ATOM 0 HE ARG B 61 14.724 -2.427 7.357 1.00 0.00 H new ATOM 0 HH11 ARG B 61 13.727 -2.596 10.740 1.00 0.00 H new ATOM 0 HH12 ARG B 61 12.460 -1.380 10.547 1.00 0.00 H new ATOM 0 HH21 ARG B 61 13.094 -0.867 7.118 1.00 0.00 H new ATOM 0 HH22 ARG B 61 12.103 -0.405 8.506 1.00 0.00 H new ATOM 645 N VAL B 62 16.867 -7.639 8.036 1.00 0.00 N ATOM 646 CA VAL B 62 17.148 -8.714 7.092 1.00 0.00 C ATOM 647 C VAL B 62 16.500 -8.441 5.739 1.00 0.00 C ATOM 648 O VAL B 62 15.290 -8.238 5.650 1.00 0.00 O ATOM 649 CB VAL B 62 16.649 -10.072 7.622 1.00 0.00 C ATOM 650 CG1 VAL B 62 17.509 -10.539 8.787 1.00 0.00 C ATOM 651 CG2 VAL B 62 15.187 -9.978 8.032 1.00 0.00 C ATOM 0 H VAL B 62 15.894 -7.335 8.051 1.00 0.00 H new ATOM 0 HA VAL B 62 18.231 -8.754 6.972 1.00 0.00 H new ATOM 0 HB VAL B 62 16.732 -10.808 6.822 1.00 0.00 H new ATOM 0 HG11 VAL B 62 17.142 -11.500 9.148 1.00 0.00 H new ATOM 0 HG12 VAL B 62 18.542 -10.647 8.456 1.00 0.00 H new ATOM 0 HG13 VAL B 62 17.460 -9.806 9.592 1.00 0.00 H new ATOM 0 HG21 VAL B 62 14.850 -10.946 8.404 1.00 0.00 H new ATOM 0 HG22 VAL B 62 15.077 -9.229 8.816 1.00 0.00 H new ATOM 0 HG23 VAL B 62 14.585 -9.691 7.170 1.00 0.00 H new ATOM 661 N GLN B 63 17.315 -8.438 4.689 1.00 0.00 N ATOM 662 CA GLN B 63 16.821 -8.189 3.340 1.00 0.00 C ATOM 663 C GLN B 63 16.077 -9.405 2.800 1.00 0.00 C ATOM 664 O GLN B 63 16.280 -10.527 3.265 1.00 0.00 O ATOM 665 CB GLN B 63 17.980 -7.830 2.408 1.00 0.00 C ATOM 666 CG GLN B 63 19.131 -8.821 2.459 1.00 0.00 C ATOM 667 CD GLN B 63 19.963 -8.815 1.191 1.00 0.00 C ATOM 668 OE1 GLN B 63 19.997 -7.823 0.462 1.00 0.00 O ATOM 669 NE2 GLN B 63 20.640 -9.925 0.922 1.00 0.00 N ATOM 0 H GLN B 63 18.320 -8.605 4.746 1.00 0.00 H new ATOM 0 HA GLN B 63 16.126 -7.350 3.384 1.00 0.00 H new ATOM 0 HB2 GLN B 63 17.608 -7.771 1.385 1.00 0.00 H new ATOM 0 HB3 GLN B 63 18.352 -6.840 2.670 1.00 0.00 H new ATOM 0 HG2 GLN B 63 19.771 -8.586 3.310 1.00 0.00 H new ATOM 0 HG3 GLN B 63 18.736 -9.823 2.625 1.00 0.00 H new ATOM 0 HE21 GLN B 63 20.583 -10.723 1.554 1.00 0.00 H new ATOM 0 HE22 GLN B 63 21.218 -9.979 0.083 1.00 0.00 H new ATOM 678 N LEU B 64 15.214 -9.175 1.816 1.00 0.00 N ATOM 679 CA LEU B 64 14.438 -10.253 1.212 1.00 0.00 C ATOM 680 C LEU B 64 13.838 -9.812 -0.119 1.00 0.00 C ATOM 681 O LEU B 64 13.994 -8.663 -0.531 1.00 0.00 O ATOM 682 CB LEU B 64 13.326 -10.701 2.162 1.00 0.00 C ATOM 683 CG LEU B 64 12.233 -9.671 2.450 1.00 0.00 C ATOM 684 CD1 LEU B 64 10.921 -10.363 2.785 1.00 0.00 C ATOM 685 CD2 LEU B 64 12.656 -8.748 3.583 1.00 0.00 C ATOM 0 H LEU B 64 15.034 -8.252 1.420 1.00 0.00 H new ATOM 0 HA LEU B 64 15.109 -11.091 1.027 1.00 0.00 H new ATOM 0 HB2 LEU B 64 12.857 -11.592 1.745 1.00 0.00 H new ATOM 0 HB3 LEU B 64 13.780 -10.993 3.109 1.00 0.00 H new ATOM 0 HG LEU B 64 12.083 -9.069 1.554 1.00 0.00 H new ATOM 0 HD11 LEU B 64 10.156 -9.614 2.987 1.00 0.00 H new ATOM 0 HD12 LEU B 64 10.610 -10.981 1.943 1.00 0.00 H new ATOM 0 HD13 LEU B 64 11.055 -10.991 3.666 1.00 0.00 H new ATOM 0 HD21 LEU B 64 11.866 -8.021 3.774 1.00 0.00 H new ATOM 0 HD22 LEU B 64 12.835 -9.336 4.484 1.00 0.00 H new ATOM 0 HD23 LEU B 64 13.571 -8.225 3.304 1.00 0.00 H new ATOM 697 N ALA B 65 13.150 -10.732 -0.786 1.00 0.00 N ATOM 698 CA ALA B 65 12.523 -10.437 -2.069 1.00 0.00 C ATOM 699 C ALA B 65 13.568 -10.295 -3.171 1.00 0.00 C ATOM 700 O ALA B 65 14.231 -9.264 -3.283 1.00 0.00 O ATOM 701 CB ALA B 65 11.685 -9.171 -1.968 1.00 0.00 C ATOM 0 H ALA B 65 13.012 -11.688 -0.459 1.00 0.00 H new ATOM 0 HA ALA B 65 11.871 -11.272 -2.327 1.00 0.00 H new ATOM 0 HB1 ALA B 65 11.223 -8.963 -2.933 1.00 0.00 H new ATOM 0 HB2 ALA B 65 10.908 -9.308 -1.216 1.00 0.00 H new ATOM 0 HB3 ALA B 65 12.323 -8.334 -1.683 1.00 0.00 H new ATOM 707 N HIS B 66 13.710 -11.338 -3.983 1.00 0.00 N ATOM 708 CA HIS B 66 14.674 -11.330 -5.077 1.00 0.00 C ATOM 709 C HIS B 66 14.253 -12.295 -6.181 1.00 0.00 C ATOM 710 O HIS B 66 14.101 -13.494 -5.946 1.00 0.00 O ATOM 711 CB HIS B 66 16.065 -11.702 -4.561 1.00 0.00 C ATOM 712 CG HIS B 66 17.145 -10.775 -5.027 1.00 0.00 C ATOM 713 ND1 HIS B 66 17.758 -10.891 -6.257 1.00 0.00 N ATOM 714 CD2 HIS B 66 17.719 -9.709 -4.421 1.00 0.00 C ATOM 715 CE1 HIS B 66 18.664 -9.939 -6.386 1.00 0.00 C ATOM 716 NE2 HIS B 66 18.660 -9.207 -5.286 1.00 0.00 N ATOM 0 H HIS B 66 13.169 -12.199 -3.904 1.00 0.00 H new ATOM 0 HA HIS B 66 14.706 -10.323 -5.493 1.00 0.00 H new ATOM 0 HB2 HIS B 66 16.049 -11.709 -3.471 1.00 0.00 H new ATOM 0 HB3 HIS B 66 16.304 -12.716 -4.883 1.00 0.00 H new ATOM 0 HD2 HIS B 66 17.481 -9.325 -3.440 1.00 0.00 H new ATOM 0 HE1 HIS B 66 19.300 -9.785 -7.245 1.00 0.00 H new ATOM 0 HE2 HIS B 66 19.258 -8.400 -5.108 1.00 0.00 H new ATOM 724 N HIS B 67 14.064 -11.763 -7.384 1.00 0.00 N ATOM 725 CA HIS B 67 13.659 -12.578 -8.525 1.00 0.00 C ATOM 726 C HIS B 67 13.525 -11.724 -9.782 1.00 0.00 C ATOM 727 O HIS B 67 12.671 -10.840 -9.856 1.00 0.00 O ATOM 728 CB HIS B 67 12.335 -13.284 -8.230 1.00 0.00 C ATOM 729 CG HIS B 67 12.335 -14.735 -8.599 1.00 0.00 C ATOM 730 ND1 HIS B 67 11.709 -15.704 -7.844 1.00 0.00 N ATOM 731 CD2 HIS B 67 12.887 -15.380 -9.653 1.00 0.00 C ATOM 732 CE1 HIS B 67 11.879 -16.883 -8.415 1.00 0.00 C ATOM 733 NE2 HIS B 67 12.590 -16.714 -9.516 1.00 0.00 N ATOM 0 H HIS B 67 14.184 -10.772 -7.595 1.00 0.00 H new ATOM 0 HA HIS B 67 14.431 -13.328 -8.697 1.00 0.00 H new ATOM 0 HB2 HIS B 67 12.110 -13.188 -7.168 1.00 0.00 H new ATOM 0 HB3 HIS B 67 11.535 -12.780 -8.772 1.00 0.00 H new ATOM 0 HD2 HIS B 67 13.455 -14.929 -10.453 1.00 0.00 H new ATOM 0 HE1 HIS B 67 11.501 -17.825 -8.045 1.00 0.00 H new ATOM 0 HE2 HIS B 67 12.872 -17.454 -10.159 1.00 0.00 H new ATOM 741 N PHE B 68 14.374 -11.994 -10.768 1.00 0.00 N ATOM 742 CA PHE B 68 14.351 -11.249 -12.021 1.00 0.00 C ATOM 743 C PHE B 68 12.988 -11.362 -12.697 1.00 0.00 C ATOM 744 O PHE B 68 12.151 -12.172 -12.298 1.00 0.00 O ATOM 745 CB PHE B 68 15.444 -11.761 -12.963 1.00 0.00 C ATOM 746 CG PHE B 68 16.233 -10.663 -13.618 1.00 0.00 C ATOM 747 CD1 PHE B 68 17.034 -9.822 -12.863 1.00 0.00 C ATOM 748 CD2 PHE B 68 16.172 -10.472 -14.989 1.00 0.00 C ATOM 749 CE1 PHE B 68 17.762 -8.812 -13.463 1.00 0.00 C ATOM 750 CE2 PHE B 68 16.898 -9.464 -15.594 1.00 0.00 C ATOM 751 CZ PHE B 68 17.693 -8.632 -14.830 1.00 0.00 C ATOM 0 H PHE B 68 15.086 -12.723 -10.723 1.00 0.00 H new ATOM 0 HA PHE B 68 14.538 -10.199 -11.794 1.00 0.00 H new ATOM 0 HB2 PHE B 68 16.125 -12.402 -12.403 1.00 0.00 H new ATOM 0 HB3 PHE B 68 14.987 -12.379 -13.735 1.00 0.00 H new ATOM 0 HD1 PHE B 68 17.090 -9.957 -11.793 1.00 0.00 H new ATOM 0 HD2 PHE B 68 15.550 -11.118 -15.591 1.00 0.00 H new ATOM 0 HE1 PHE B 68 18.384 -8.164 -12.863 1.00 0.00 H new ATOM 0 HE2 PHE B 68 16.844 -9.327 -16.664 1.00 0.00 H new ATOM 0 HZ PHE B 68 18.259 -7.842 -15.301 1.00 0.00 H new ATOM 761 N SER B 69 12.772 -10.544 -13.722 1.00 0.00 N ATOM 762 CA SER B 69 11.509 -10.548 -14.451 1.00 0.00 C ATOM 763 C SER B 69 11.409 -11.772 -15.357 1.00 0.00 C ATOM 764 O SER B 69 12.236 -12.680 -15.284 1.00 0.00 O ATOM 765 CB SER B 69 11.371 -9.271 -15.282 1.00 0.00 C ATOM 766 OG SER B 69 11.769 -8.133 -14.537 1.00 0.00 O ATOM 0 H SER B 69 13.455 -9.870 -14.067 1.00 0.00 H new ATOM 0 HA SER B 69 10.698 -10.588 -13.724 1.00 0.00 H new ATOM 0 HB2 SER B 69 11.980 -9.352 -16.182 1.00 0.00 H new ATOM 0 HB3 SER B 69 10.337 -9.154 -15.606 1.00 0.00 H new ATOM 0 HG SER B 69 11.452 -7.321 -14.985 1.00 0.00 H new ATOM 772 N GLU B 70 10.390 -11.787 -16.210 1.00 0.00 N ATOM 773 CA GLU B 70 10.181 -12.898 -17.130 1.00 0.00 C ATOM 774 C GLU B 70 9.091 -12.567 -18.146 1.00 0.00 C ATOM 775 O GLU B 70 9.329 -12.509 -19.352 1.00 0.00 O ATOM 776 CB GLU B 70 9.805 -14.165 -16.358 1.00 0.00 C ATOM 777 CG GLU B 70 10.977 -15.101 -16.118 1.00 0.00 C ATOM 778 CD GLU B 70 10.557 -16.557 -16.049 1.00 0.00 C ATOM 779 OE1 GLU B 70 9.946 -17.043 -17.024 1.00 0.00 O ATOM 780 OE2 GLU B 70 10.837 -17.208 -15.022 1.00 0.00 O ATOM 0 H GLU B 70 9.697 -11.043 -16.283 1.00 0.00 H new ATOM 0 HA GLU B 70 11.114 -13.071 -17.667 1.00 0.00 H new ATOM 0 HB2 GLU B 70 9.375 -13.881 -15.398 1.00 0.00 H new ATOM 0 HB3 GLU B 70 9.031 -14.699 -16.908 1.00 0.00 H new ATOM 0 HG2 GLU B 70 11.707 -14.975 -16.917 1.00 0.00 H new ATOM 0 HG3 GLU B 70 11.473 -14.825 -15.187 1.00 0.00 H new ATOM 787 N PRO B 71 7.866 -12.344 -17.647 1.00 0.00 N ATOM 788 CA PRO B 71 6.715 -12.014 -18.493 1.00 0.00 C ATOM 789 C PRO B 71 6.826 -10.623 -19.106 1.00 0.00 C ATOM 790 O PRO B 71 6.251 -9.662 -18.594 1.00 0.00 O ATOM 791 CB PRO B 71 5.533 -12.079 -17.523 1.00 0.00 C ATOM 792 CG PRO B 71 6.126 -11.810 -16.183 1.00 0.00 C ATOM 793 CD PRO B 71 7.511 -12.396 -16.219 1.00 0.00 C ATOM 0 HA PRO B 71 6.625 -12.691 -19.342 1.00 0.00 H new ATOM 0 HB2 PRO B 71 4.773 -11.339 -17.775 1.00 0.00 H new ATOM 0 HB3 PRO B 71 5.050 -13.056 -17.553 1.00 0.00 H new ATOM 0 HG2 PRO B 71 6.160 -10.740 -15.979 1.00 0.00 H new ATOM 0 HG3 PRO B 71 5.529 -12.266 -15.393 1.00 0.00 H new ATOM 0 HD2 PRO B 71 8.207 -11.819 -15.610 1.00 0.00 H new ATOM 0 HD3 PRO B 71 7.525 -13.417 -15.838 1.00 0.00 H new ATOM 801 N GLU B 72 7.567 -10.522 -20.205 1.00 0.00 N ATOM 802 CA GLU B 72 7.753 -9.247 -20.887 1.00 0.00 C ATOM 803 C GLU B 72 6.498 -8.858 -21.663 1.00 0.00 C ATOM 804 O GLU B 72 6.106 -7.691 -21.686 1.00 0.00 O ATOM 805 CB GLU B 72 8.951 -9.319 -21.835 1.00 0.00 C ATOM 806 CG GLU B 72 8.814 -10.385 -22.909 1.00 0.00 C ATOM 807 CD GLU B 72 10.155 -10.874 -23.421 1.00 0.00 C ATOM 808 OE1 GLU B 72 11.047 -11.139 -22.589 1.00 0.00 O ATOM 809 OE2 GLU B 72 10.311 -10.992 -24.654 1.00 0.00 O ATOM 0 H GLU B 72 8.048 -11.308 -20.642 1.00 0.00 H new ATOM 0 HA GLU B 72 7.944 -8.485 -20.132 1.00 0.00 H new ATOM 0 HB2 GLU B 72 9.084 -8.349 -22.313 1.00 0.00 H new ATOM 0 HB3 GLU B 72 9.852 -9.514 -21.254 1.00 0.00 H new ATOM 0 HG2 GLU B 72 8.253 -11.229 -22.508 1.00 0.00 H new ATOM 0 HG3 GLU B 72 8.236 -9.984 -23.742 1.00 0.00 H new ATOM 816 N ILE B 73 5.873 -9.844 -22.299 1.00 0.00 N ATOM 817 CA ILE B 73 4.664 -9.605 -23.076 1.00 0.00 C ATOM 818 C ILE B 73 3.644 -8.804 -22.274 1.00 0.00 C ATOM 819 O ILE B 73 3.168 -7.759 -22.719 1.00 0.00 O ATOM 820 CB ILE B 73 4.018 -10.927 -23.532 1.00 0.00 C ATOM 821 CG1 ILE B 73 5.001 -11.734 -24.382 1.00 0.00 C ATOM 822 CG2 ILE B 73 2.739 -10.652 -24.309 1.00 0.00 C ATOM 823 CD1 ILE B 73 4.662 -13.206 -24.464 1.00 0.00 C ATOM 0 H ILE B 73 6.184 -10.815 -22.291 1.00 0.00 H new ATOM 0 HA ILE B 73 4.962 -9.033 -23.955 1.00 0.00 H new ATOM 0 HB ILE B 73 3.764 -11.513 -22.649 1.00 0.00 H new ATOM 0 HG12 ILE B 73 5.024 -11.318 -25.389 1.00 0.00 H new ATOM 0 HG13 ILE B 73 6.003 -11.623 -23.968 1.00 0.00 H new ATOM 0 HG21 ILE B 73 2.295 -11.596 -24.624 1.00 0.00 H new ATOM 0 HG22 ILE B 73 2.036 -10.114 -23.673 1.00 0.00 H new ATOM 0 HG23 ILE B 73 2.969 -10.048 -25.187 1.00 0.00 H new ATOM 0 HD11 ILE B 73 5.401 -13.716 -25.082 1.00 0.00 H new ATOM 0 HD12 ILE B 73 4.667 -13.637 -23.463 1.00 0.00 H new ATOM 0 HD13 ILE B 73 3.673 -13.328 -24.906 1.00 0.00 H new ATOM 835 N THR B 74 3.312 -9.300 -21.085 1.00 0.00 N ATOM 836 CA THR B 74 2.350 -8.631 -20.220 1.00 0.00 C ATOM 837 C THR B 74 2.679 -7.150 -20.072 1.00 0.00 C ATOM 838 O THR B 74 1.802 -6.293 -20.190 1.00 0.00 O ATOM 839 CB THR B 74 2.307 -9.277 -18.822 1.00 0.00 C ATOM 840 OG1 THR B 74 2.036 -10.678 -18.938 1.00 0.00 O ATOM 841 CG2 THR B 74 1.244 -8.620 -17.955 1.00 0.00 C ATOM 0 H THR B 74 3.696 -10.163 -20.700 1.00 0.00 H new ATOM 0 HA THR B 74 1.374 -8.738 -20.693 1.00 0.00 H new ATOM 0 HB THR B 74 3.279 -9.133 -18.349 1.00 0.00 H new ATOM 0 HG1 THR B 74 2.012 -11.082 -18.045 1.00 0.00 H new ATOM 0 HG21 THR B 74 1.232 -9.093 -16.973 1.00 0.00 H new ATOM 0 HG22 THR B 74 1.469 -7.559 -17.844 1.00 0.00 H new ATOM 0 HG23 THR B 74 0.268 -8.737 -18.425 1.00 0.00 H new ATOM 849 N LEU B 75 3.949 -6.854 -19.815 1.00 0.00 N ATOM 850 CA LEU B 75 4.395 -5.474 -19.653 1.00 0.00 C ATOM 851 C LEU B 75 4.046 -4.641 -20.881 1.00 0.00 C ATOM 852 O LEU B 75 3.494 -3.546 -20.765 1.00 0.00 O ATOM 853 CB LEU B 75 5.904 -5.431 -19.405 1.00 0.00 C ATOM 854 CG LEU B 75 6.397 -6.138 -18.142 1.00 0.00 C ATOM 855 CD1 LEU B 75 7.914 -6.240 -18.145 1.00 0.00 C ATOM 856 CD2 LEU B 75 5.912 -5.407 -16.898 1.00 0.00 C ATOM 0 H LEU B 75 4.687 -7.550 -19.714 1.00 0.00 H new ATOM 0 HA LEU B 75 3.879 -5.050 -18.791 1.00 0.00 H new ATOM 0 HB2 LEU B 75 6.406 -5.874 -20.265 1.00 0.00 H new ATOM 0 HB3 LEU B 75 6.215 -4.387 -19.358 1.00 0.00 H new ATOM 0 HG LEU B 75 5.986 -7.147 -18.130 1.00 0.00 H new ATOM 0 HD11 LEU B 75 8.246 -6.746 -17.239 1.00 0.00 H new ATOM 0 HD12 LEU B 75 8.239 -6.807 -19.017 1.00 0.00 H new ATOM 0 HD13 LEU B 75 8.346 -5.240 -18.181 1.00 0.00 H new ATOM 0 HD21 LEU B 75 6.272 -5.924 -16.009 1.00 0.00 H new ATOM 0 HD22 LEU B 75 6.294 -4.386 -16.904 1.00 0.00 H new ATOM 0 HD23 LEU B 75 4.822 -5.387 -16.890 1.00 0.00 H new ATOM 868 N ILE B 76 4.369 -5.167 -22.058 1.00 0.00 N ATOM 869 CA ILE B 76 4.086 -4.472 -23.308 1.00 0.00 C ATOM 870 C ILE B 76 2.603 -4.138 -23.428 1.00 0.00 C ATOM 871 O ILE B 76 2.236 -3.016 -23.776 1.00 0.00 O ATOM 872 CB ILE B 76 4.512 -5.312 -24.527 1.00 0.00 C ATOM 873 CG1 ILE B 76 5.976 -5.737 -24.395 1.00 0.00 C ATOM 874 CG2 ILE B 76 4.296 -4.527 -25.812 1.00 0.00 C ATOM 875 CD1 ILE B 76 6.947 -4.577 -24.430 1.00 0.00 C ATOM 0 H ILE B 76 4.827 -6.071 -22.172 1.00 0.00 H new ATOM 0 HA ILE B 76 4.664 -3.548 -23.293 1.00 0.00 H new ATOM 0 HB ILE B 76 3.895 -6.210 -24.565 1.00 0.00 H new ATOM 0 HG12 ILE B 76 6.105 -6.281 -23.459 1.00 0.00 H new ATOM 0 HG13 ILE B 76 6.219 -6.429 -25.202 1.00 0.00 H new ATOM 0 HG21 ILE B 76 4.602 -5.133 -26.665 1.00 0.00 H new ATOM 0 HG22 ILE B 76 3.241 -4.270 -25.909 1.00 0.00 H new ATOM 0 HG23 ILE B 76 4.890 -3.614 -25.785 1.00 0.00 H new ATOM 0 HD11 ILE B 76 7.966 -4.952 -24.331 1.00 0.00 H new ATOM 0 HD12 ILE B 76 6.846 -4.046 -25.377 1.00 0.00 H new ATOM 0 HD13 ILE B 76 6.730 -3.896 -23.607 1.00 0.00 H new ATOM 887 N ILE B 77 1.756 -5.119 -23.136 1.00 0.00 N ATOM 888 CA ILE B 77 0.313 -4.927 -23.208 1.00 0.00 C ATOM 889 C ILE B 77 -0.156 -3.892 -22.191 1.00 0.00 C ATOM 890 O ILE B 77 -0.882 -2.957 -22.531 1.00 0.00 O ATOM 891 CB ILE B 77 -0.443 -6.247 -22.965 1.00 0.00 C ATOM 892 CG1 ILE B 77 0.064 -7.333 -23.916 1.00 0.00 C ATOM 893 CG2 ILE B 77 -1.940 -6.040 -23.139 1.00 0.00 C ATOM 894 CD1 ILE B 77 -0.759 -8.602 -23.879 1.00 0.00 C ATOM 0 H ILE B 77 2.044 -6.054 -22.848 1.00 0.00 H new ATOM 0 HA ILE B 77 0.092 -4.570 -24.214 1.00 0.00 H new ATOM 0 HB ILE B 77 -0.257 -6.571 -21.941 1.00 0.00 H new ATOM 0 HG12 ILE B 77 0.067 -6.941 -24.933 1.00 0.00 H new ATOM 0 HG13 ILE B 77 1.097 -7.572 -23.664 1.00 0.00 H new ATOM 0 HG21 ILE B 77 -2.460 -6.982 -22.964 1.00 0.00 H new ATOM 0 HG22 ILE B 77 -2.290 -5.294 -22.425 1.00 0.00 H new ATOM 0 HG23 ILE B 77 -2.144 -5.696 -24.153 1.00 0.00 H new ATOM 0 HD11 ILE B 77 -0.342 -9.327 -24.578 1.00 0.00 H new ATOM 0 HD12 ILE B 77 -0.742 -9.018 -22.872 1.00 0.00 H new ATOM 0 HD13 ILE B 77 -1.788 -8.377 -24.161 1.00 0.00 H new ATOM 906 N PHE B 78 0.265 -4.064 -20.943 1.00 0.00 N ATOM 907 CA PHE B 78 -0.111 -3.144 -19.876 1.00 0.00 C ATOM 908 C PHE B 78 0.242 -1.706 -20.248 1.00 0.00 C ATOM 909 O PHE B 78 -0.575 -0.797 -20.101 1.00 0.00 O ATOM 910 CB PHE B 78 0.586 -3.531 -18.570 1.00 0.00 C ATOM 911 CG PHE B 78 0.459 -2.493 -17.492 1.00 0.00 C ATOM 912 CD1 PHE B 78 -0.617 -2.511 -16.619 1.00 0.00 C ATOM 913 CD2 PHE B 78 1.414 -1.500 -17.351 1.00 0.00 C ATOM 914 CE1 PHE B 78 -0.737 -1.557 -15.626 1.00 0.00 C ATOM 915 CE2 PHE B 78 1.300 -0.543 -16.360 1.00 0.00 C ATOM 916 CZ PHE B 78 0.223 -0.573 -15.496 1.00 0.00 C ATOM 0 H PHE B 78 0.867 -4.832 -20.645 1.00 0.00 H new ATOM 0 HA PHE B 78 -1.190 -3.210 -19.737 1.00 0.00 H new ATOM 0 HB2 PHE B 78 0.168 -4.471 -18.209 1.00 0.00 H new ATOM 0 HB3 PHE B 78 1.643 -3.708 -18.770 1.00 0.00 H new ATOM 0 HD1 PHE B 78 -1.370 -3.279 -16.716 1.00 0.00 H new ATOM 0 HD2 PHE B 78 2.258 -1.473 -18.024 1.00 0.00 H new ATOM 0 HE1 PHE B 78 -1.581 -1.581 -14.952 1.00 0.00 H new ATOM 0 HE2 PHE B 78 2.051 0.226 -16.262 1.00 0.00 H new ATOM 0 HZ PHE B 78 0.132 0.172 -14.720 1.00 0.00 H new ATOM 926 N GLY B 79 1.465 -1.509 -20.729 1.00 0.00 N ATOM 927 CA GLY B 79 1.906 -0.181 -21.114 1.00 0.00 C ATOM 928 C GLY B 79 1.001 0.452 -22.152 1.00 0.00 C ATOM 929 O GLY B 79 0.499 1.559 -21.956 1.00 0.00 O ATOM 0 H GLY B 79 2.159 -2.245 -20.859 1.00 0.00 H new ATOM 0 HA2 GLY B 79 1.942 0.457 -20.231 1.00 0.00 H new ATOM 0 HA3 GLY B 79 2.921 -0.238 -21.508 1.00 0.00 H new ATOM 933 N VAL B 80 0.791 -0.251 -23.260 1.00 0.00 N ATOM 934 CA VAL B 80 -0.060 0.249 -24.333 1.00 0.00 C ATOM 935 C VAL B 80 -1.491 0.455 -23.850 1.00 0.00 C ATOM 936 O VAL B 80 -2.179 1.375 -24.290 1.00 0.00 O ATOM 937 CB VAL B 80 -0.069 -0.712 -25.536 1.00 0.00 C ATOM 938 CG1 VAL B 80 -0.910 -0.143 -26.669 1.00 0.00 C ATOM 939 CG2 VAL B 80 1.351 -0.994 -26.005 1.00 0.00 C ATOM 0 H VAL B 80 1.199 -1.169 -23.438 1.00 0.00 H new ATOM 0 HA VAL B 80 0.356 1.207 -24.646 1.00 0.00 H new ATOM 0 HB VAL B 80 -0.517 -1.655 -25.221 1.00 0.00 H new ATOM 0 HG11 VAL B 80 -0.904 -0.836 -27.510 1.00 0.00 H new ATOM 0 HG12 VAL B 80 -1.934 0.001 -26.325 1.00 0.00 H new ATOM 0 HG13 VAL B 80 -0.495 0.814 -26.985 1.00 0.00 H new ATOM 0 HG21 VAL B 80 1.325 -1.675 -26.856 1.00 0.00 H new ATOM 0 HG22 VAL B 80 1.828 -0.060 -26.302 1.00 0.00 H new ATOM 0 HG23 VAL B 80 1.919 -1.449 -25.193 1.00 0.00 H new ATOM 949 N MET B 81 -1.932 -0.408 -22.940 1.00 0.00 N ATOM 950 CA MET B 81 -3.281 -0.319 -22.394 1.00 0.00 C ATOM 951 C MET B 81 -3.459 0.964 -21.589 1.00 0.00 C ATOM 952 O MET B 81 -4.454 1.672 -21.743 1.00 0.00 O ATOM 953 CB MET B 81 -3.579 -1.534 -21.513 1.00 0.00 C ATOM 954 CG MET B 81 -3.913 -2.790 -22.302 1.00 0.00 C ATOM 955 SD MET B 81 -4.109 -4.240 -21.248 1.00 0.00 S ATOM 956 CE MET B 81 -5.830 -4.641 -21.542 1.00 0.00 C ATOM 0 H MET B 81 -1.375 -1.176 -22.566 1.00 0.00 H new ATOM 0 HA MET B 81 -3.983 -0.303 -23.228 1.00 0.00 H new ATOM 0 HB2 MET B 81 -2.716 -1.733 -20.878 1.00 0.00 H new ATOM 0 HB3 MET B 81 -4.413 -1.297 -20.852 1.00 0.00 H new ATOM 0 HG2 MET B 81 -4.832 -2.627 -22.864 1.00 0.00 H new ATOM 0 HG3 MET B 81 -3.123 -2.978 -23.029 1.00 0.00 H new ATOM 0 HE1 MET B 81 -6.104 -5.520 -20.958 1.00 0.00 H new ATOM 0 HE2 MET B 81 -6.456 -3.799 -21.246 1.00 0.00 H new ATOM 0 HE3 MET B 81 -5.979 -4.849 -22.602 1.00 0.00 H new ATOM 966 N ALA B 82 -2.488 1.257 -20.730 1.00 0.00 N ATOM 967 CA ALA B 82 -2.537 2.456 -19.902 1.00 0.00 C ATOM 968 C ALA B 82 -2.443 3.717 -20.755 1.00 0.00 C ATOM 969 O ALA B 82 -3.192 4.671 -20.554 1.00 0.00 O ATOM 970 CB ALA B 82 -1.420 2.430 -18.869 1.00 0.00 C ATOM 0 H ALA B 82 -1.658 0.681 -20.589 1.00 0.00 H new ATOM 0 HA ALA B 82 -3.496 2.471 -19.384 1.00 0.00 H new ATOM 0 HB1 ALA B 82 -1.469 3.331 -18.258 1.00 0.00 H new ATOM 0 HB2 ALA B 82 -1.534 1.553 -18.232 1.00 0.00 H new ATOM 0 HB3 ALA B 82 -0.456 2.387 -19.376 1.00 0.00 H new ATOM 976 N GLY B 83 -1.515 3.713 -21.708 1.00 0.00 N ATOM 977 CA GLY B 83 -1.339 4.862 -22.576 1.00 0.00 C ATOM 978 C GLY B 83 -2.565 5.142 -23.423 1.00 0.00 C ATOM 979 O GLY B 83 -3.070 6.264 -23.446 1.00 0.00 O ATOM 0 H GLY B 83 -0.883 2.935 -21.894 1.00 0.00 H new ATOM 0 HA2 GLY B 83 -1.111 5.739 -21.971 1.00 0.00 H new ATOM 0 HA3 GLY B 83 -0.482 4.693 -23.228 1.00 0.00 H new ATOM 983 N VAL B 84 -3.044 4.119 -24.124 1.00 0.00 N ATOM 984 CA VAL B 84 -4.218 4.260 -24.977 1.00 0.00 C ATOM 985 C VAL B 84 -5.393 4.846 -24.203 1.00 0.00 C ATOM 986 O VAL B 84 -5.932 5.891 -24.570 1.00 0.00 O ATOM 987 CB VAL B 84 -4.639 2.907 -25.580 1.00 0.00 C ATOM 988 CG1 VAL B 84 -6.002 3.020 -26.248 1.00 0.00 C ATOM 989 CG2 VAL B 84 -3.592 2.415 -26.568 1.00 0.00 C ATOM 0 H VAL B 84 -2.637 3.184 -24.118 1.00 0.00 H new ATOM 0 HA VAL B 84 -3.943 4.940 -25.784 1.00 0.00 H new ATOM 0 HB VAL B 84 -4.716 2.178 -24.773 1.00 0.00 H new ATOM 0 HG11 VAL B 84 -6.282 2.054 -26.668 1.00 0.00 H new ATOM 0 HG12 VAL B 84 -6.745 3.324 -25.510 1.00 0.00 H new ATOM 0 HG13 VAL B 84 -5.956 3.763 -27.045 1.00 0.00 H new ATOM 0 HG21 VAL B 84 -3.906 1.458 -26.984 1.00 0.00 H new ATOM 0 HG22 VAL B 84 -3.481 3.142 -27.373 1.00 0.00 H new ATOM 0 HG23 VAL B 84 -2.638 2.292 -26.056 1.00 0.00 H new ATOM 999 N ILE B 85 -5.785 4.168 -23.130 1.00 0.00 N ATOM 1000 CA ILE B 85 -6.896 4.623 -22.303 1.00 0.00 C ATOM 1001 C ILE B 85 -6.667 6.048 -21.811 1.00 0.00 C ATOM 1002 O ILE B 85 -7.587 6.865 -21.793 1.00 0.00 O ATOM 1003 CB ILE B 85 -7.107 3.701 -21.087 1.00 0.00 C ATOM 1004 CG1 ILE B 85 -7.452 2.284 -21.549 1.00 0.00 C ATOM 1005 CG2 ILE B 85 -8.204 4.253 -20.188 1.00 0.00 C ATOM 1006 CD1 ILE B 85 -8.774 2.190 -22.279 1.00 0.00 C ATOM 0 H ILE B 85 -5.350 3.302 -22.813 1.00 0.00 H new ATOM 0 HA ILE B 85 -7.788 4.595 -22.929 1.00 0.00 H new ATOM 0 HB ILE B 85 -6.181 3.661 -20.514 1.00 0.00 H new ATOM 0 HG12 ILE B 85 -6.659 1.921 -22.203 1.00 0.00 H new ATOM 0 HG13 ILE B 85 -7.478 1.624 -20.682 1.00 0.00 H new ATOM 0 HG21 ILE B 85 -8.342 3.591 -19.333 1.00 0.00 H new ATOM 0 HG22 ILE B 85 -7.921 5.245 -19.836 1.00 0.00 H new ATOM 0 HG23 ILE B 85 -9.136 4.319 -20.750 1.00 0.00 H new ATOM 0 HD11 ILE B 85 -8.953 1.157 -22.577 1.00 0.00 H new ATOM 0 HD12 ILE B 85 -9.577 2.522 -21.621 1.00 0.00 H new ATOM 0 HD13 ILE B 85 -8.746 2.823 -23.166 1.00 0.00 H new ATOM 1018 N GLY B 86 -5.432 6.341 -21.415 1.00 0.00 N ATOM 1019 CA GLY B 86 -5.104 7.669 -20.930 1.00 0.00 C ATOM 1020 C GLY B 86 -5.391 8.748 -21.955 1.00 0.00 C ATOM 1021 O GLY B 86 -6.073 9.730 -21.660 1.00 0.00 O ATOM 0 H GLY B 86 -4.653 5.683 -21.421 1.00 0.00 H new ATOM 0 HA2 GLY B 86 -5.674 7.872 -20.024 1.00 0.00 H new ATOM 0 HA3 GLY B 86 -4.049 7.703 -20.657 1.00 0.00 H new ATOM 1025 N THR B 87 -4.869 8.567 -23.164 1.00 0.00 N ATOM 1026 CA THR B 87 -5.071 9.534 -24.236 1.00 0.00 C ATOM 1027 C THR B 87 -6.555 9.755 -24.505 1.00 0.00 C ATOM 1028 O THR B 87 -7.007 10.891 -24.650 1.00 0.00 O ATOM 1029 CB THR B 87 -4.387 9.080 -25.539 1.00 0.00 C ATOM 1030 OG1 THR B 87 -3.115 8.490 -25.245 1.00 0.00 O ATOM 1031 CG2 THR B 87 -4.200 10.253 -26.489 1.00 0.00 C ATOM 0 H THR B 87 -4.303 7.760 -23.425 1.00 0.00 H new ATOM 0 HA THR B 87 -4.621 10.470 -23.905 1.00 0.00 H new ATOM 0 HB THR B 87 -5.027 8.341 -26.021 1.00 0.00 H new ATOM 0 HG1 THR B 87 -2.699 8.966 -24.496 1.00 0.00 H new ATOM 0 HG21 THR B 87 -3.715 9.908 -27.402 1.00 0.00 H new ATOM 0 HG22 THR B 87 -5.172 10.681 -26.734 1.00 0.00 H new ATOM 0 HG23 THR B 87 -3.579 11.012 -26.013 1.00 0.00 H new ATOM 1039 N ILE B 88 -7.309 8.663 -24.571 1.00 0.00 N ATOM 1040 CA ILE B 88 -8.743 8.738 -24.821 1.00 0.00 C ATOM 1041 C ILE B 88 -9.426 9.668 -23.824 1.00 0.00 C ATOM 1042 O ILE B 88 -10.168 10.572 -24.210 1.00 0.00 O ATOM 1043 CB ILE B 88 -9.401 7.348 -24.744 1.00 0.00 C ATOM 1044 CG1 ILE B 88 -8.775 6.405 -25.774 1.00 0.00 C ATOM 1045 CG2 ILE B 88 -10.902 7.460 -24.966 1.00 0.00 C ATOM 1046 CD1 ILE B 88 -8.942 4.941 -25.433 1.00 0.00 C ATOM 0 H ILE B 88 -6.950 7.715 -24.455 1.00 0.00 H new ATOM 0 HA ILE B 88 -8.868 9.134 -25.829 1.00 0.00 H new ATOM 0 HB ILE B 88 -9.229 6.936 -23.750 1.00 0.00 H new ATOM 0 HG12 ILE B 88 -9.223 6.596 -26.749 1.00 0.00 H new ATOM 0 HG13 ILE B 88 -7.712 6.630 -25.862 1.00 0.00 H new ATOM 0 HG21 ILE B 88 -11.353 6.469 -24.909 1.00 0.00 H new ATOM 0 HG22 ILE B 88 -11.336 8.101 -24.199 1.00 0.00 H new ATOM 0 HG23 ILE B 88 -11.093 7.889 -25.949 1.00 0.00 H new ATOM 0 HD11 ILE B 88 -8.474 4.332 -26.206 1.00 0.00 H new ATOM 0 HD12 ILE B 88 -8.469 4.735 -24.473 1.00 0.00 H new ATOM 0 HD13 ILE B 88 -10.003 4.700 -25.374 1.00 0.00 H new ATOM 1058 N LEU B 89 -9.171 9.441 -22.540 1.00 0.00 N ATOM 1059 CA LEU B 89 -9.760 10.259 -21.486 1.00 0.00 C ATOM 1060 C LEU B 89 -9.425 11.733 -21.691 1.00 0.00 C ATOM 1061 O LEU B 89 -10.315 12.585 -21.720 1.00 0.00 O ATOM 1062 CB LEU B 89 -9.262 9.797 -20.116 1.00 0.00 C ATOM 1063 CG LEU B 89 -9.878 8.504 -19.579 1.00 0.00 C ATOM 1064 CD1 LEU B 89 -9.023 7.930 -18.460 1.00 0.00 C ATOM 1065 CD2 LEU B 89 -11.298 8.752 -19.094 1.00 0.00 C ATOM 0 H LEU B 89 -8.560 8.697 -22.204 1.00 0.00 H new ATOM 0 HA LEU B 89 -10.843 10.141 -21.530 1.00 0.00 H new ATOM 0 HB2 LEU B 89 -8.181 9.666 -20.170 1.00 0.00 H new ATOM 0 HB3 LEU B 89 -9.451 10.593 -19.396 1.00 0.00 H new ATOM 0 HG LEU B 89 -9.914 7.777 -20.390 1.00 0.00 H new ATOM 0 HD11 LEU B 89 -9.477 7.010 -18.090 1.00 0.00 H new ATOM 0 HD12 LEU B 89 -8.024 7.715 -18.839 1.00 0.00 H new ATOM 0 HD13 LEU B 89 -8.954 8.653 -17.647 1.00 0.00 H new ATOM 0 HD21 LEU B 89 -11.721 7.821 -18.715 1.00 0.00 H new ATOM 0 HD22 LEU B 89 -11.286 9.496 -18.297 1.00 0.00 H new ATOM 0 HD23 LEU B 89 -11.907 9.117 -19.921 1.00 0.00 H new ATOM 1077 N LEU B 90 -8.138 12.028 -21.834 1.00 0.00 N ATOM 1078 CA LEU B 90 -7.685 13.400 -22.038 1.00 0.00 C ATOM 1079 C LEU B 90 -8.342 14.012 -23.272 1.00 0.00 C ATOM 1080 O LEU B 90 -8.910 15.102 -23.208 1.00 0.00 O ATOM 1081 CB LEU B 90 -6.163 13.439 -22.185 1.00 0.00 C ATOM 1082 CG LEU B 90 -5.361 12.932 -20.986 1.00 0.00 C ATOM 1083 CD1 LEU B 90 -4.036 12.339 -21.443 1.00 0.00 C ATOM 1084 CD2 LEU B 90 -5.128 14.055 -19.986 1.00 0.00 C ATOM 0 H LEU B 90 -7.389 11.336 -21.813 1.00 0.00 H new ATOM 0 HA LEU B 90 -7.975 13.986 -21.166 1.00 0.00 H new ATOM 0 HB2 LEU B 90 -5.887 12.848 -23.058 1.00 0.00 H new ATOM 0 HB3 LEU B 90 -5.864 14.467 -22.389 1.00 0.00 H new ATOM 0 HG LEU B 90 -5.936 12.148 -20.493 1.00 0.00 H new ATOM 0 HD11 LEU B 90 -3.478 11.983 -20.577 1.00 0.00 H new ATOM 0 HD12 LEU B 90 -4.224 11.506 -22.120 1.00 0.00 H new ATOM 0 HD13 LEU B 90 -3.455 13.102 -21.960 1.00 0.00 H new ATOM 0 HD21 LEU B 90 -4.556 13.675 -19.139 1.00 0.00 H new ATOM 0 HD22 LEU B 90 -4.574 14.861 -20.467 1.00 0.00 H new ATOM 0 HD23 LEU B 90 -6.088 14.434 -19.634 1.00 0.00 H new ATOM 1096 N ILE B 91 -8.262 13.302 -24.392 1.00 0.00 N ATOM 1097 CA ILE B 91 -8.851 13.774 -25.639 1.00 0.00 C ATOM 1098 C ILE B 91 -10.334 14.084 -25.463 1.00 0.00 C ATOM 1099 O ILE B 91 -10.805 15.154 -25.849 1.00 0.00 O ATOM 1100 CB ILE B 91 -8.685 12.739 -26.767 1.00 0.00 C ATOM 1101 CG1 ILE B 91 -7.216 12.633 -27.180 1.00 0.00 C ATOM 1102 CG2 ILE B 91 -9.550 13.114 -27.961 1.00 0.00 C ATOM 1103 CD1 ILE B 91 -6.671 13.898 -27.807 1.00 0.00 C ATOM 0 H ILE B 91 -7.795 12.398 -24.462 1.00 0.00 H new ATOM 0 HA ILE B 91 -8.321 14.686 -25.913 1.00 0.00 H new ATOM 0 HB ILE B 91 -9.010 11.766 -26.398 1.00 0.00 H new ATOM 0 HG12 ILE B 91 -6.618 12.385 -26.303 1.00 0.00 H new ATOM 0 HG13 ILE B 91 -7.104 11.810 -27.886 1.00 0.00 H new ATOM 0 HG21 ILE B 91 -9.422 12.373 -28.750 1.00 0.00 H new ATOM 0 HG22 ILE B 91 -10.596 13.143 -27.657 1.00 0.00 H new ATOM 0 HG23 ILE B 91 -9.252 14.095 -28.332 1.00 0.00 H new ATOM 0 HD11 ILE B 91 -5.625 13.750 -28.075 1.00 0.00 H new ATOM 0 HD12 ILE B 91 -7.245 14.136 -28.703 1.00 0.00 H new ATOM 0 HD13 ILE B 91 -6.751 14.720 -27.096 1.00 0.00 H new ATOM 1115 N SER B 92 -11.065 13.142 -24.877 1.00 0.00 N ATOM 1116 CA SER B 92 -12.495 13.313 -24.651 1.00 0.00 C ATOM 1117 C SER B 92 -12.772 14.592 -23.866 1.00 0.00 C ATOM 1118 O SER B 92 -13.830 15.205 -24.009 1.00 0.00 O ATOM 1119 CB SER B 92 -13.063 12.108 -23.899 1.00 0.00 C ATOM 1120 OG SER B 92 -13.510 11.110 -24.800 1.00 0.00 O ATOM 0 H SER B 92 -10.690 12.252 -24.550 1.00 0.00 H new ATOM 0 HA SER B 92 -12.984 13.389 -25.622 1.00 0.00 H new ATOM 0 HB2 SER B 92 -12.300 11.693 -23.241 1.00 0.00 H new ATOM 0 HB3 SER B 92 -13.890 12.428 -23.265 1.00 0.00 H new ATOM 0 HG SER B 92 -13.867 10.350 -24.295 1.00 0.00 H new ATOM 1126 N TYR B 93 -11.813 14.989 -23.038 1.00 0.00 N ATOM 1127 CA TYR B 93 -11.952 16.194 -22.228 1.00 0.00 C ATOM 1128 C TYR B 93 -11.824 17.447 -23.088 1.00 0.00 C ATOM 1129 O TYR B 93 -12.505 18.445 -22.858 1.00 0.00 O ATOM 1130 CB TYR B 93 -10.899 16.213 -21.119 1.00 0.00 C ATOM 1131 CG TYR B 93 -11.170 17.241 -20.044 1.00 0.00 C ATOM 1132 CD1 TYR B 93 -12.395 17.285 -19.389 1.00 0.00 C ATOM 1133 CD2 TYR B 93 -10.201 18.169 -19.682 1.00 0.00 C ATOM 1134 CE1 TYR B 93 -12.647 18.223 -18.407 1.00 0.00 C ATOM 1135 CE2 TYR B 93 -10.444 19.109 -18.700 1.00 0.00 C ATOM 1136 CZ TYR B 93 -11.668 19.133 -18.066 1.00 0.00 C ATOM 1137 OH TYR B 93 -11.915 20.068 -17.087 1.00 0.00 O ATOM 0 H TYR B 93 -10.930 14.494 -22.910 1.00 0.00 H new ATOM 0 HA TYR B 93 -12.944 16.185 -21.777 1.00 0.00 H new ATOM 0 HB2 TYR B 93 -10.848 15.225 -20.661 1.00 0.00 H new ATOM 0 HB3 TYR B 93 -9.922 16.410 -21.560 1.00 0.00 H new ATOM 0 HD1 TYR B 93 -13.163 16.573 -19.652 1.00 0.00 H new ATOM 0 HD2 TYR B 93 -9.241 18.155 -20.177 1.00 0.00 H new ATOM 0 HE1 TYR B 93 -13.605 18.244 -17.909 1.00 0.00 H new ATOM 0 HE2 TYR B 93 -9.679 19.822 -18.430 1.00 0.00 H new ATOM 0 HH TYR B 93 -11.123 20.632 -16.966 1.00 0.00 H new ATOM 1147 N GLY B 94 -10.943 17.386 -24.083 1.00 0.00 N ATOM 1148 CA GLY B 94 -10.740 18.521 -24.964 1.00 0.00 C ATOM 1149 C GLY B 94 -11.970 18.840 -25.792 1.00 0.00 C ATOM 1150 O GLY B 94 -12.280 20.007 -26.030 1.00 0.00 O ATOM 0 H GLY B 94 -10.367 16.571 -24.294 1.00 0.00 H new ATOM 0 HA2 GLY B 94 -10.469 19.394 -24.370 1.00 0.00 H new ATOM 0 HA3 GLY B 94 -9.901 18.315 -25.629 1.00 0.00 H new ATOM 1154 N ILE B 95 -12.670 17.800 -26.233 1.00 0.00 N ATOM 1155 CA ILE B 95 -13.871 17.975 -27.039 1.00 0.00 C ATOM 1156 C ILE B 95 -14.977 18.653 -26.237 1.00 0.00 C ATOM 1157 O ILE B 95 -15.788 19.399 -26.786 1.00 0.00 O ATOM 1158 CB ILE B 95 -14.392 16.628 -27.574 1.00 0.00 C ATOM 1159 CG1 ILE B 95 -13.321 15.945 -28.427 1.00 0.00 C ATOM 1160 CG2 ILE B 95 -15.667 16.835 -28.378 1.00 0.00 C ATOM 1161 CD1 ILE B 95 -13.581 14.473 -28.657 1.00 0.00 C ATOM 0 H ILE B 95 -12.426 16.828 -26.045 1.00 0.00 H new ATOM 0 HA ILE B 95 -13.596 18.609 -27.882 1.00 0.00 H new ATOM 0 HB ILE B 95 -14.622 15.981 -26.727 1.00 0.00 H new ATOM 0 HG12 ILE B 95 -13.259 16.450 -29.391 1.00 0.00 H new ATOM 0 HG13 ILE B 95 -12.352 16.063 -27.942 1.00 0.00 H new ATOM 0 HG21 ILE B 95 -16.023 15.874 -28.749 1.00 0.00 H new ATOM 0 HG22 ILE B 95 -16.430 17.283 -27.741 1.00 0.00 H new ATOM 0 HG23 ILE B 95 -15.463 17.496 -29.220 1.00 0.00 H new ATOM 0 HD11 ILE B 95 -12.782 14.054 -29.269 1.00 0.00 H new ATOM 0 HD12 ILE B 95 -13.614 13.955 -27.698 1.00 0.00 H new ATOM 0 HD13 ILE B 95 -14.535 14.348 -29.170 1.00 0.00 H new ATOM 1173 N ARG B 96 -15.003 18.390 -24.935 1.00 0.00 N ATOM 1174 CA ARG B 96 -16.009 18.975 -24.057 1.00 0.00 C ATOM 1175 C ARG B 96 -15.707 20.447 -23.789 1.00 0.00 C ATOM 1176 O ARG B 96 -16.615 21.278 -23.741 1.00 0.00 O ATOM 1177 CB ARG B 96 -16.070 18.208 -22.734 1.00 0.00 C ATOM 1178 CG ARG B 96 -17.384 17.474 -22.517 1.00 0.00 C ATOM 1179 CD ARG B 96 -18.360 18.309 -21.703 1.00 0.00 C ATOM 1180 NE ARG B 96 -19.741 18.109 -22.133 1.00 0.00 N ATOM 1181 CZ ARG B 96 -20.276 18.709 -23.192 1.00 0.00 C ATOM 1182 NH1 ARG B 96 -19.548 19.541 -23.924 1.00 0.00 N ATOM 1183 NH2 ARG B 96 -21.540 18.476 -23.519 1.00 0.00 N ATOM 0 H ARG B 96 -14.339 17.775 -24.465 1.00 0.00 H new ATOM 0 HA ARG B 96 -16.976 18.904 -24.556 1.00 0.00 H new ATOM 0 HB2 ARG B 96 -15.252 17.488 -22.703 1.00 0.00 H new ATOM 0 HB3 ARG B 96 -15.913 18.906 -21.911 1.00 0.00 H new ATOM 0 HG2 ARG B 96 -17.829 17.229 -23.481 1.00 0.00 H new ATOM 0 HG3 ARG B 96 -17.195 16.531 -22.005 1.00 0.00 H new ATOM 0 HD2 ARG B 96 -18.267 18.050 -20.648 1.00 0.00 H new ATOM 0 HD3 ARG B 96 -18.100 19.364 -21.796 1.00 0.00 H new ATOM 0 HE ARG B 96 -20.327 17.474 -21.591 1.00 0.00 H new ATOM 0 HH11 ARG B 96 -18.575 19.722 -23.675 1.00 0.00 H new ATOM 0 HH12 ARG B 96 -19.960 20.000 -24.736 1.00 0.00 H new ATOM 0 HH21 ARG B 96 -22.102 17.836 -22.958 1.00 0.00 H new ATOM 0 HH22 ARG B 96 -21.950 18.937 -24.332 1.00 0.00 H new ATOM 1197 N ARG B 97 -14.428 20.762 -23.616 1.00 0.00 N ATOM 1198 CA ARG B 97 -14.007 22.132 -23.352 1.00 0.00 C ATOM 1199 C ARG B 97 -14.694 22.681 -22.105 1.00 0.00 C ATOM 1200 O ARG B 97 -14.899 23.889 -21.976 1.00 0.00 O ATOM 1201 CB ARG B 97 -14.321 23.025 -24.554 1.00 0.00 C ATOM 1202 CG ARG B 97 -13.288 24.116 -24.789 1.00 0.00 C ATOM 1203 CD ARG B 97 -13.207 24.499 -26.258 1.00 0.00 C ATOM 1204 NE ARG B 97 -13.923 25.741 -26.540 1.00 0.00 N ATOM 1205 CZ ARG B 97 -14.219 26.157 -27.766 1.00 0.00 C ATOM 1206 NH1 ARG B 97 -13.862 25.434 -28.819 1.00 0.00 N ATOM 1207 NH2 ARG B 97 -14.873 27.298 -27.941 1.00 0.00 N ATOM 0 H ARG B 97 -13.665 20.086 -23.654 1.00 0.00 H new ATOM 0 HA ARG B 97 -12.930 22.128 -23.181 1.00 0.00 H new ATOM 0 HB2 ARG B 97 -14.392 22.405 -25.448 1.00 0.00 H new ATOM 0 HB3 ARG B 97 -15.298 23.486 -24.408 1.00 0.00 H new ATOM 0 HG2 ARG B 97 -13.544 24.994 -24.196 1.00 0.00 H new ATOM 0 HG3 ARG B 97 -12.311 23.774 -24.447 1.00 0.00 H new ATOM 0 HD2 ARG B 97 -12.162 24.610 -26.547 1.00 0.00 H new ATOM 0 HD3 ARG B 97 -13.622 23.695 -26.866 1.00 0.00 H new ATOM 0 HE ARG B 97 -14.211 26.321 -25.752 1.00 0.00 H new ATOM 0 HH11 ARG B 97 -13.359 24.556 -28.688 1.00 0.00 H new ATOM 0 HH12 ARG B 97 -14.090 25.756 -29.760 1.00 0.00 H new ATOM 0 HH21 ARG B 97 -15.149 27.857 -27.133 1.00 0.00 H new ATOM 0 HH22 ARG B 97 -15.100 27.617 -28.883 1.00 0.00 H new ATOM 1221 N LEU B 98 -15.047 21.786 -21.189 1.00 0.00 N ATOM 1222 CA LEU B 98 -15.712 22.180 -19.951 1.00 0.00 C ATOM 1223 C LEU B 98 -14.698 22.667 -18.920 1.00 0.00 C ATOM 1224 O LEU B 98 -13.616 23.136 -19.272 1.00 0.00 O ATOM 1225 CB LEU B 98 -16.510 21.006 -19.382 1.00 0.00 C ATOM 1226 CG LEU B 98 -17.397 21.319 -18.176 1.00 0.00 C ATOM 1227 CD1 LEU B 98 -18.599 22.149 -18.598 1.00 0.00 C ATOM 1228 CD2 LEU B 98 -17.845 20.034 -17.496 1.00 0.00 C ATOM 0 H LEU B 98 -14.884 20.783 -21.280 1.00 0.00 H new ATOM 0 HA LEU B 98 -16.394 22.999 -20.178 1.00 0.00 H new ATOM 0 HB2 LEU B 98 -17.139 20.602 -20.175 1.00 0.00 H new ATOM 0 HB3 LEU B 98 -15.810 20.220 -19.099 1.00 0.00 H new ATOM 0 HG LEU B 98 -16.814 21.900 -17.461 1.00 0.00 H new ATOM 0 HD11 LEU B 98 -19.218 22.362 -17.727 1.00 0.00 H new ATOM 0 HD12 LEU B 98 -18.258 23.086 -19.038 1.00 0.00 H new ATOM 0 HD13 LEU B 98 -19.184 21.595 -19.332 1.00 0.00 H new ATOM 0 HD21 LEU B 98 -18.475 20.276 -16.640 1.00 0.00 H new ATOM 0 HD22 LEU B 98 -18.410 19.426 -18.203 1.00 0.00 H new ATOM 0 HD23 LEU B 98 -16.971 19.478 -17.157 1.00 0.00 H new TER 1240 LEU B 98