USER MOD reduce.3.24.130724 H: found=0, std=0, add=699, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 701 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 39 TYR OH : rot 180:sc= -0.104 USER MOD Set 1.2: A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 45 HIS : no HD1:sc= -0.0159 X(o=-0.016,f=-0.016) USER MOD Set 2.2: A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 HIS : no HD1:sc= -2.36! X(o=-2.4!,f=-1.9) USER MOD Single : A 36 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0506) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=-0.033) USER MOD Single : A 38 MET CE :methyl -133:sc= -2.6 (180deg=-6.96!) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 27:sc= 0.334 USER MOD Single : A 69 ASN : amide:sc= -0.98 K(o=-0.98,f=-0.24) USER MOD Single : A 71 CYS SG : rot 170:sc= -0.606 USER MOD Single : A 76 SER OG : rot 100:sc= -2.71! USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ -159:sc= -0.0685 (180deg=-0.398) USER MOD Single : A 84 ASN : amide:sc= -4.41! C(o=-4.4!,f=-6.9!) USER MOD Single : A 89 THR OG1 : rot -93:sc= 0.812 USER MOD Single : A 90 THR OG1 : rot -61:sc= 1.49 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 CYS SG : rot 0:sc= 0.107 USER MOD Single : A 95 CYS SG : rot 74:sc= -0.936! USER MOD Single : A 98 GLN : amide:sc= -1.51 K(o=-1.5,f=-2.7) USER MOD Single : A 105 MET CE :methyl 177:sc= -2.29 (180deg=-2.35) USER MOD Single : A 110 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0566) USER MOD Single : A 111 THR OG1 : rot 113:sc= 1.18 USER MOD Single : A 113 GLN : amide:sc= -0.144 K(o=-0.14,f=-1.5!) USER MOD Single : A 115 SER OG : rot 161:sc= 1.28 USER MOD Single : A 116 SER OG : rot 70:sc= 0.216 USER MOD Single : A 117 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 78 N ALA A 9 -5.271 -12.673 -5.335 1.00 0.00 N ATOM 79 CA ALA A 9 -4.901 -11.310 -4.976 1.00 0.00 C ATOM 80 C ALA A 9 -6.108 -10.380 -5.036 1.00 0.00 C ATOM 81 O ALA A 9 -6.648 -10.117 -6.111 1.00 0.00 O ATOM 82 CB ALA A 9 -3.796 -10.804 -5.891 1.00 0.00 C ATOM 0 HA ALA A 9 -4.532 -11.318 -3.950 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -3.530 -9.785 -5.611 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -2.921 -11.447 -5.795 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -4.144 -10.817 -6.924 1.00 0.00 H new ATOM 88 N ALA A 10 -6.527 -9.885 -3.876 1.00 0.00 N ATOM 89 CA ALA A 10 -7.670 -8.983 -3.798 1.00 0.00 C ATOM 90 C ALA A 10 -7.576 -7.887 -4.854 1.00 0.00 C ATOM 91 O ALA A 10 -8.546 -7.604 -5.559 1.00 0.00 O ATOM 92 CB ALA A 10 -7.766 -8.373 -2.408 1.00 0.00 C ATOM 0 H ALA A 10 -6.092 -10.093 -2.977 1.00 0.00 H new ATOM 0 HA ALA A 10 -8.573 -9.562 -3.992 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -8.624 -7.702 -2.364 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -7.887 -9.166 -1.670 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -6.856 -7.813 -2.193 1.00 0.00 H new ATOM 98 N LYS A 11 -6.404 -7.271 -4.959 1.00 0.00 N ATOM 99 CA LYS A 11 -6.183 -6.205 -5.929 1.00 0.00 C ATOM 100 C LYS A 11 -4.707 -6.105 -6.300 1.00 0.00 C ATOM 101 O LYS A 11 -3.854 -6.718 -5.660 1.00 0.00 O ATOM 102 CB LYS A 11 -6.670 -4.867 -5.368 1.00 0.00 C ATOM 103 CG LYS A 11 -6.761 -3.767 -6.411 1.00 0.00 C ATOM 104 CD LYS A 11 -7.830 -2.747 -6.054 1.00 0.00 C ATOM 105 CE LYS A 11 -7.688 -1.479 -6.881 1.00 0.00 C ATOM 106 NZ LYS A 11 -8.308 -1.622 -8.227 1.00 0.00 N ATOM 0 H LYS A 11 -5.591 -7.492 -4.384 1.00 0.00 H new ATOM 0 HA LYS A 11 -6.751 -6.443 -6.828 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -7.651 -5.008 -4.915 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -5.995 -4.548 -4.574 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -5.796 -3.268 -6.500 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -6.985 -4.204 -7.384 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -8.817 -3.180 -6.217 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -7.761 -2.501 -4.994 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -8.154 -0.647 -6.353 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -6.632 -1.234 -6.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -8.190 -0.736 -8.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -7.846 -2.399 -8.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -9.322 -1.830 -8.122 1.00 0.00 H new ATOM 120 N GLU A 12 -4.413 -5.327 -7.338 1.00 0.00 N ATOM 121 CA GLU A 12 -3.040 -5.148 -7.793 1.00 0.00 C ATOM 122 C GLU A 12 -2.924 -3.930 -8.705 1.00 0.00 C ATOM 123 O GLU A 12 -3.884 -3.546 -9.371 1.00 0.00 O ATOM 124 CB GLU A 12 -2.555 -6.398 -8.529 1.00 0.00 C ATOM 125 CG GLU A 12 -3.330 -6.694 -9.802 1.00 0.00 C ATOM 126 CD GLU A 12 -3.294 -8.162 -10.179 1.00 0.00 C ATOM 127 OE1 GLU A 12 -2.378 -8.873 -9.714 1.00 0.00 O ATOM 128 OE2 GLU A 12 -4.182 -8.601 -10.940 1.00 0.00 O ATOM 0 H GLU A 12 -5.107 -4.811 -7.879 1.00 0.00 H new ATOM 0 HA GLU A 12 -2.412 -4.986 -6.917 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -1.500 -6.278 -8.776 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -2.630 -7.255 -7.860 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -4.366 -6.381 -9.673 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -2.918 -6.103 -10.620 1.00 0.00 H new ATOM 135 N GLY A 13 -1.739 -3.327 -8.730 1.00 0.00 N ATOM 136 CA GLY A 13 -1.518 -2.159 -9.563 1.00 0.00 C ATOM 137 C GLY A 13 -0.329 -1.338 -9.106 1.00 0.00 C ATOM 138 O GLY A 13 0.079 -1.415 -7.948 1.00 0.00 O ATOM 0 H GLY A 13 -0.928 -3.627 -8.188 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -1.362 -2.476 -10.594 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -2.412 -1.535 -9.553 1.00 0.00 H new ATOM 142 N TRP A 14 0.229 -0.551 -10.019 1.00 0.00 N ATOM 143 CA TRP A 14 1.381 0.287 -9.704 1.00 0.00 C ATOM 144 C TRP A 14 0.992 1.409 -8.747 1.00 0.00 C ATOM 145 O TRP A 14 0.039 2.149 -8.997 1.00 0.00 O ATOM 146 CB TRP A 14 1.976 0.875 -10.984 1.00 0.00 C ATOM 147 CG TRP A 14 2.680 -0.140 -11.833 1.00 0.00 C ATOM 148 CD1 TRP A 14 2.112 -0.977 -12.750 1.00 0.00 C ATOM 149 CD2 TRP A 14 4.083 -0.426 -11.840 1.00 0.00 C ATOM 150 NE1 TRP A 14 3.077 -1.766 -13.328 1.00 0.00 N ATOM 151 CE2 TRP A 14 4.295 -1.447 -12.787 1.00 0.00 C ATOM 152 CE3 TRP A 14 5.180 0.082 -11.140 1.00 0.00 C ATOM 153 CZ2 TRP A 14 5.559 -1.968 -13.049 1.00 0.00 C ATOM 154 CZ3 TRP A 14 6.434 -0.437 -11.401 1.00 0.00 C ATOM 155 CH2 TRP A 14 6.616 -1.452 -12.349 1.00 0.00 C ATOM 0 H TRP A 14 -0.097 -0.475 -10.983 1.00 0.00 H new ATOM 0 HA TRP A 14 2.131 -0.337 -9.217 1.00 0.00 H new ATOM 0 HB2 TRP A 14 1.180 1.337 -11.568 1.00 0.00 H new ATOM 0 HB3 TRP A 14 2.677 1.666 -10.720 1.00 0.00 H new ATOM 0 HD1 TRP A 14 1.059 -1.014 -12.986 1.00 0.00 H new ATOM 0 HE1 TRP A 14 2.913 -2.474 -14.044 1.00 0.00 H new ATOM 0 HE3 TRP A 14 5.051 0.866 -10.408 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 5.701 -2.752 -13.779 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 7.289 -0.053 -10.864 1.00 0.00 H new ATOM 0 HH2 TRP A 14 7.609 -1.835 -12.531 1.00 0.00 H new ATOM 166 N LEU A 15 1.735 1.531 -7.652 1.00 0.00 N ATOM 167 CA LEU A 15 1.467 2.565 -6.658 1.00 0.00 C ATOM 168 C LEU A 15 2.757 3.010 -5.975 1.00 0.00 C ATOM 169 O LEU A 15 3.701 2.231 -5.839 1.00 0.00 O ATOM 170 CB LEU A 15 0.475 2.051 -5.613 1.00 0.00 C ATOM 171 CG LEU A 15 -0.761 1.334 -6.158 1.00 0.00 C ATOM 172 CD1 LEU A 15 -1.577 0.740 -5.020 1.00 0.00 C ATOM 173 CD2 LEU A 15 -1.610 2.288 -6.984 1.00 0.00 C ATOM 0 H LEU A 15 2.527 0.927 -7.430 1.00 0.00 H new ATOM 0 HA LEU A 15 1.033 3.424 -7.170 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.002 1.369 -4.946 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.144 2.896 -5.009 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.431 0.521 -6.805 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.453 0.234 -5.426 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.967 0.024 -4.470 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.897 1.536 -4.348 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.485 1.761 -7.364 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.931 3.122 -6.360 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.023 2.666 -7.821 1.00 0.00 H new ATOM 185 N HIS A 16 2.789 4.268 -5.546 1.00 0.00 N ATOM 186 CA HIS A 16 3.962 4.816 -4.874 1.00 0.00 C ATOM 187 C HIS A 16 3.915 4.527 -3.377 1.00 0.00 C ATOM 188 O HIS A 16 3.100 5.095 -2.650 1.00 0.00 O ATOM 189 CB HIS A 16 4.053 6.324 -5.112 1.00 0.00 C ATOM 190 CG HIS A 16 4.339 6.690 -6.536 1.00 0.00 C ATOM 191 ND1 HIS A 16 5.614 6.900 -7.017 1.00 0.00 N ATOM 192 CD2 HIS A 16 3.506 6.880 -7.585 1.00 0.00 C ATOM 193 CE1 HIS A 16 5.553 7.206 -8.301 1.00 0.00 C ATOM 194 NE2 HIS A 16 4.285 7.201 -8.670 1.00 0.00 N ATOM 0 H HIS A 16 2.017 4.926 -5.652 1.00 0.00 H new ATOM 0 HA HIS A 16 4.847 4.336 -5.291 1.00 0.00 H new ATOM 0 HB2 HIS A 16 3.115 6.789 -4.807 1.00 0.00 H new ATOM 0 HB3 HIS A 16 4.835 6.737 -4.475 1.00 0.00 H new ATOM 0 HD2 HIS A 16 2.429 6.795 -7.572 1.00 0.00 H new ATOM 0 HE1 HIS A 16 6.396 7.423 -8.940 1.00 0.00 H new ATOM 0 HE2 HIS A 16 3.940 7.403 -9.608 1.00 0.00 H new ATOM 203 N PHE A 17 4.795 3.641 -2.923 1.00 0.00 N ATOM 204 CA PHE A 17 4.853 3.275 -1.512 1.00 0.00 C ATOM 205 C PHE A 17 5.887 4.119 -0.773 1.00 0.00 C ATOM 206 O PHE A 17 7.091 3.954 -0.967 1.00 0.00 O ATOM 207 CB PHE A 17 5.189 1.790 -1.362 1.00 0.00 C ATOM 208 CG PHE A 17 5.777 1.440 -0.025 1.00 0.00 C ATOM 209 CD1 PHE A 17 4.993 1.455 1.117 1.00 0.00 C ATOM 210 CD2 PHE A 17 7.115 1.098 0.090 1.00 0.00 C ATOM 211 CE1 PHE A 17 5.531 1.134 2.349 1.00 0.00 C ATOM 212 CE2 PHE A 17 7.659 0.775 1.319 1.00 0.00 C ATOM 213 CZ PHE A 17 6.866 0.795 2.450 1.00 0.00 C ATOM 0 H PHE A 17 5.478 3.163 -3.511 1.00 0.00 H new ATOM 0 HA PHE A 17 3.874 3.465 -1.073 1.00 0.00 H new ATOM 0 HB2 PHE A 17 4.283 1.203 -1.516 1.00 0.00 H new ATOM 0 HB3 PHE A 17 5.891 1.504 -2.145 1.00 0.00 H new ATOM 0 HD1 PHE A 17 3.949 1.721 1.044 1.00 0.00 H new ATOM 0 HD2 PHE A 17 7.740 1.084 -0.791 1.00 0.00 H new ATOM 0 HE1 PHE A 17 4.908 1.148 3.231 1.00 0.00 H new ATOM 0 HE2 PHE A 17 8.703 0.507 1.395 1.00 0.00 H new ATOM 0 HZ PHE A 17 7.289 0.546 3.412 1.00 0.00 H new ATOM 223 N ARG A 18 5.407 5.025 0.073 1.00 0.00 N ATOM 224 CA ARG A 18 6.289 5.897 0.839 1.00 0.00 C ATOM 225 C ARG A 18 6.015 5.768 2.335 1.00 0.00 C ATOM 226 O ARG A 18 5.098 6.384 2.879 1.00 0.00 O ATOM 227 CB ARG A 18 6.110 7.351 0.401 1.00 0.00 C ATOM 228 CG ARG A 18 6.963 8.334 1.186 1.00 0.00 C ATOM 229 CD ARG A 18 6.561 9.772 0.902 1.00 0.00 C ATOM 230 NE ARG A 18 7.013 10.684 1.950 1.00 0.00 N ATOM 231 CZ ARG A 18 6.785 11.993 1.933 1.00 0.00 C ATOM 232 NH1 ARG A 18 6.115 12.540 0.929 1.00 0.00 N ATOM 233 NH2 ARG A 18 7.228 12.757 2.923 1.00 0.00 N ATOM 0 H ARG A 18 4.413 5.174 0.245 1.00 0.00 H new ATOM 0 HA ARG A 18 7.317 5.591 0.647 1.00 0.00 H new ATOM 0 HB2 ARG A 18 6.355 7.435 -0.658 1.00 0.00 H new ATOM 0 HB3 ARG A 18 5.061 7.627 0.508 1.00 0.00 H new ATOM 0 HG2 ARG A 18 6.865 8.132 2.253 1.00 0.00 H new ATOM 0 HG3 ARG A 18 8.013 8.191 0.930 1.00 0.00 H new ATOM 0 HD2 ARG A 18 6.980 10.083 -0.055 1.00 0.00 H new ATOM 0 HD3 ARG A 18 5.477 9.834 0.810 1.00 0.00 H new ATOM 0 HE ARG A 18 7.532 10.295 2.737 1.00 0.00 H new ATOM 0 HH11 ARG A 18 5.773 11.956 0.166 1.00 0.00 H new ATOM 0 HH12 ARG A 18 5.942 13.545 0.919 1.00 0.00 H new ATOM 0 HH21 ARG A 18 7.744 12.340 3.698 1.00 0.00 H new ATOM 0 HH22 ARG A 18 7.053 13.762 2.909 1.00 0.00 H new ATOM 247 N PRO A 19 6.827 4.947 3.017 1.00 0.00 N ATOM 248 CA PRO A 19 6.692 4.718 4.459 1.00 0.00 C ATOM 249 C PRO A 19 7.080 5.943 5.279 1.00 0.00 C ATOM 250 O PRO A 19 8.035 6.647 4.949 1.00 0.00 O ATOM 251 CB PRO A 19 7.663 3.565 4.727 1.00 0.00 C ATOM 252 CG PRO A 19 8.676 3.662 3.639 1.00 0.00 C ATOM 253 CD PRO A 19 7.940 4.180 2.434 1.00 0.00 C ATOM 0 HA PRO A 19 5.662 4.501 4.743 1.00 0.00 H new ATOM 0 HB2 PRO A 19 8.127 3.658 5.709 1.00 0.00 H new ATOM 0 HB3 PRO A 19 7.151 2.603 4.706 1.00 0.00 H new ATOM 0 HG2 PRO A 19 9.487 4.334 3.920 1.00 0.00 H new ATOM 0 HG3 PRO A 19 9.124 2.689 3.435 1.00 0.00 H new ATOM 0 HD2 PRO A 19 8.578 4.808 1.813 1.00 0.00 H new ATOM 0 HD3 PRO A 19 7.581 3.367 1.803 1.00 0.00 H new ATOM 261 N LEU A 20 6.334 6.192 6.350 1.00 0.00 N ATOM 262 CA LEU A 20 6.600 7.333 7.219 1.00 0.00 C ATOM 263 C LEU A 20 7.843 7.092 8.070 1.00 0.00 C ATOM 264 O LEU A 20 8.709 7.959 8.183 1.00 0.00 O ATOM 265 CB LEU A 20 5.395 7.604 8.122 1.00 0.00 C ATOM 266 CG LEU A 20 4.213 8.318 7.466 1.00 0.00 C ATOM 267 CD1 LEU A 20 4.615 9.715 7.018 1.00 0.00 C ATOM 268 CD2 LEU A 20 3.686 7.509 6.290 1.00 0.00 C ATOM 0 H LEU A 20 5.540 5.619 6.637 1.00 0.00 H new ATOM 0 HA LEU A 20 6.777 8.204 6.588 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.043 6.652 8.520 1.00 0.00 H new ATOM 0 HB3 LEU A 20 5.729 8.201 8.971 1.00 0.00 H new ATOM 0 HG LEU A 20 3.415 8.411 8.203 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.761 10.208 6.553 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.942 10.294 7.882 1.00 0.00 H new ATOM 0 HD13 LEU A 20 5.430 9.646 6.298 1.00 0.00 H new ATOM 0 HD21 LEU A 20 2.845 8.033 5.836 1.00 0.00 H new ATOM 0 HD22 LEU A 20 4.477 7.383 5.551 1.00 0.00 H new ATOM 0 HD23 LEU A 20 3.358 6.530 6.640 1.00 0.00 H new ATOM 280 N VAL A 21 7.926 5.906 8.664 1.00 0.00 N ATOM 281 CA VAL A 21 9.064 5.548 9.502 1.00 0.00 C ATOM 282 C VAL A 21 9.054 4.061 9.838 1.00 0.00 C ATOM 283 O VAL A 21 7.999 3.426 9.865 1.00 0.00 O ATOM 284 CB VAL A 21 9.074 6.359 10.811 1.00 0.00 C ATOM 285 CG1 VAL A 21 8.054 5.802 11.792 1.00 0.00 C ATOM 286 CG2 VAL A 21 10.467 6.363 11.424 1.00 0.00 C ATOM 0 H VAL A 21 7.218 5.176 8.580 1.00 0.00 H new ATOM 0 HA VAL A 21 9.963 5.782 8.931 1.00 0.00 H new ATOM 0 HB VAL A 21 8.799 7.389 10.582 1.00 0.00 H new ATOM 0 HG11 VAL A 21 8.075 6.388 12.711 1.00 0.00 H new ATOM 0 HG12 VAL A 21 7.059 5.855 11.351 1.00 0.00 H new ATOM 0 HG13 VAL A 21 8.296 4.763 12.018 1.00 0.00 H new ATOM 0 HG21 VAL A 21 10.456 6.941 12.348 1.00 0.00 H new ATOM 0 HG22 VAL A 21 10.773 5.339 11.639 1.00 0.00 H new ATOM 0 HG23 VAL A 21 11.171 6.812 10.724 1.00 0.00 H new ATOM 495 N TRP A 35 9.280 9.246 -2.512 1.00 0.00 N ATOM 496 CA TRP A 35 8.276 8.253 -2.879 1.00 0.00 C ATOM 497 C TRP A 35 8.901 7.119 -3.684 1.00 0.00 C ATOM 498 O TRP A 35 9.672 7.356 -4.615 1.00 0.00 O ATOM 499 CB TRP A 35 7.153 8.908 -3.685 1.00 0.00 C ATOM 500 CG TRP A 35 6.323 9.862 -2.880 1.00 0.00 C ATOM 501 CD1 TRP A 35 6.628 11.158 -2.577 1.00 0.00 C ATOM 502 CD2 TRP A 35 5.053 9.594 -2.275 1.00 0.00 C ATOM 503 NE1 TRP A 35 5.624 11.712 -1.819 1.00 0.00 N ATOM 504 CE2 TRP A 35 4.646 10.774 -1.622 1.00 0.00 C ATOM 505 CE3 TRP A 35 4.220 8.474 -2.224 1.00 0.00 C ATOM 506 CZ2 TRP A 35 3.444 10.861 -0.925 1.00 0.00 C ATOM 507 CZ3 TRP A 35 3.027 8.562 -1.533 1.00 0.00 C ATOM 508 CH2 TRP A 35 2.647 9.749 -0.891 1.00 0.00 C ATOM 0 HA TRP A 35 7.860 7.836 -1.962 1.00 0.00 H new ATOM 0 HB2 TRP A 35 7.586 9.440 -4.532 1.00 0.00 H new ATOM 0 HB3 TRP A 35 6.507 8.131 -4.093 1.00 0.00 H new ATOM 0 HD1 TRP A 35 7.526 11.672 -2.887 1.00 0.00 H new ATOM 0 HE1 TRP A 35 5.610 12.667 -1.461 1.00 0.00 H new ATOM 0 HE3 TRP A 35 4.504 7.555 -2.716 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 3.151 11.774 -0.428 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 2.376 7.702 -1.487 1.00 0.00 H new ATOM 0 HH2 TRP A 35 1.708 9.787 -0.360 1.00 0.00 H new ATOM 519 N LYS A 36 8.566 5.886 -3.321 1.00 0.00 N ATOM 520 CA LYS A 36 9.093 4.715 -4.010 1.00 0.00 C ATOM 521 C LYS A 36 8.018 4.062 -4.873 1.00 0.00 C ATOM 522 O LYS A 36 7.049 3.506 -4.357 1.00 0.00 O ATOM 523 CB LYS A 36 9.633 3.702 -2.997 1.00 0.00 C ATOM 524 CG LYS A 36 10.823 4.213 -2.202 1.00 0.00 C ATOM 525 CD LYS A 36 11.634 3.070 -1.616 1.00 0.00 C ATOM 526 CE LYS A 36 13.037 3.518 -1.238 1.00 0.00 C ATOM 527 NZ LYS A 36 13.909 3.681 -2.435 1.00 0.00 N ATOM 0 H LYS A 36 7.931 5.672 -2.552 1.00 0.00 H new ATOM 0 HA LYS A 36 9.906 5.041 -4.658 1.00 0.00 H new ATOM 0 HB2 LYS A 36 8.835 3.430 -2.306 1.00 0.00 H new ATOM 0 HB3 LYS A 36 9.922 2.793 -3.524 1.00 0.00 H new ATOM 0 HG2 LYS A 36 11.460 4.819 -2.847 1.00 0.00 H new ATOM 0 HG3 LYS A 36 10.474 4.862 -1.399 1.00 0.00 H new ATOM 0 HD2 LYS A 36 11.127 2.677 -0.735 1.00 0.00 H new ATOM 0 HD3 LYS A 36 11.693 2.256 -2.339 1.00 0.00 H new ATOM 0 HE2 LYS A 36 12.983 4.463 -0.697 1.00 0.00 H new ATOM 0 HE3 LYS A 36 13.481 2.788 -0.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 14.896 3.803 -2.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 13.834 2.836 -3.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 13.606 4.518 -2.974 1.00 0.00 H new ATOM 541 N GLN A 37 8.198 4.132 -6.188 1.00 0.00 N ATOM 542 CA GLN A 37 7.243 3.547 -7.122 1.00 0.00 C ATOM 543 C GLN A 37 7.552 2.073 -7.364 1.00 0.00 C ATOM 544 O GLN A 37 8.526 1.735 -8.037 1.00 0.00 O ATOM 545 CB GLN A 37 7.262 4.309 -8.448 1.00 0.00 C ATOM 546 CG GLN A 37 6.206 3.839 -9.435 1.00 0.00 C ATOM 547 CD GLN A 37 6.330 4.511 -10.788 1.00 0.00 C ATOM 548 OE1 GLN A 37 7.395 4.496 -11.406 1.00 0.00 O ATOM 549 NE2 GLN A 37 5.239 5.107 -11.256 1.00 0.00 N ATOM 0 H GLN A 37 8.996 4.588 -6.631 1.00 0.00 H new ATOM 0 HA GLN A 37 6.249 3.624 -6.682 1.00 0.00 H new ATOM 0 HB2 GLN A 37 7.115 5.371 -8.250 1.00 0.00 H new ATOM 0 HB3 GLN A 37 8.246 4.203 -8.904 1.00 0.00 H new ATOM 0 HG2 GLN A 37 6.287 2.759 -9.561 1.00 0.00 H new ATOM 0 HG3 GLN A 37 5.216 4.038 -9.024 1.00 0.00 H new ATOM 0 HE21 GLN A 37 4.377 5.095 -10.710 1.00 0.00 H new ATOM 0 HE22 GLN A 37 5.263 5.577 -12.161 1.00 0.00 H new ATOM 558 N MET A 38 6.717 1.200 -6.810 1.00 0.00 N ATOM 559 CA MET A 38 6.901 -0.238 -6.967 1.00 0.00 C ATOM 560 C MET A 38 5.557 -0.959 -6.989 1.00 0.00 C ATOM 561 O MET A 38 4.694 -0.709 -6.147 1.00 0.00 O ATOM 562 CB MET A 38 7.770 -0.789 -5.835 1.00 0.00 C ATOM 563 CG MET A 38 7.193 -0.541 -4.450 1.00 0.00 C ATOM 564 SD MET A 38 8.371 -0.901 -3.133 1.00 0.00 S ATOM 565 CE MET A 38 8.673 -2.644 -3.417 1.00 0.00 C ATOM 0 H MET A 38 5.907 1.463 -6.249 1.00 0.00 H new ATOM 0 HA MET A 38 7.403 -0.413 -7.919 1.00 0.00 H new ATOM 0 HB2 MET A 38 7.902 -1.862 -5.978 1.00 0.00 H new ATOM 0 HB3 MET A 38 8.760 -0.336 -5.894 1.00 0.00 H new ATOM 0 HG2 MET A 38 6.875 0.499 -4.374 1.00 0.00 H new ATOM 0 HG3 MET A 38 6.304 -1.157 -4.315 1.00 0.00 H new ATOM 0 HE1 MET A 38 8.610 -3.183 -2.472 1.00 0.00 H new ATOM 0 HE2 MET A 38 7.926 -3.035 -4.108 1.00 0.00 H new ATOM 0 HE3 MET A 38 9.667 -2.776 -3.844 1.00 0.00 H new ATOM 575 N TYR A 39 5.386 -1.853 -7.957 1.00 0.00 N ATOM 576 CA TYR A 39 4.146 -2.608 -8.089 1.00 0.00 C ATOM 577 C TYR A 39 3.676 -3.127 -6.734 1.00 0.00 C ATOM 578 O TYR A 39 4.356 -3.929 -6.093 1.00 0.00 O ATOM 579 CB TYR A 39 4.337 -3.777 -9.057 1.00 0.00 C ATOM 580 CG TYR A 39 3.048 -4.263 -9.681 1.00 0.00 C ATOM 581 CD1 TYR A 39 2.296 -3.435 -10.505 1.00 0.00 C ATOM 582 CD2 TYR A 39 2.583 -5.552 -9.447 1.00 0.00 C ATOM 583 CE1 TYR A 39 1.118 -3.876 -11.077 1.00 0.00 C ATOM 584 CE2 TYR A 39 1.407 -6.001 -10.015 1.00 0.00 C ATOM 585 CZ TYR A 39 0.677 -5.159 -10.829 1.00 0.00 C ATOM 586 OH TYR A 39 -0.495 -5.602 -11.397 1.00 0.00 O ATOM 0 H TYR A 39 6.090 -2.072 -8.661 1.00 0.00 H new ATOM 0 HA TYR A 39 3.383 -1.937 -8.485 1.00 0.00 H new ATOM 0 HB2 TYR A 39 5.022 -3.474 -9.849 1.00 0.00 H new ATOM 0 HB3 TYR A 39 4.808 -4.604 -8.526 1.00 0.00 H new ATOM 0 HD1 TYR A 39 2.638 -2.430 -10.702 1.00 0.00 H new ATOM 0 HD2 TYR A 39 3.151 -6.214 -8.810 1.00 0.00 H new ATOM 0 HE1 TYR A 39 0.545 -3.219 -11.715 1.00 0.00 H new ATOM 0 HE2 TYR A 39 1.060 -7.006 -9.823 1.00 0.00 H new ATOM 0 HH TYR A 39 -0.662 -6.528 -11.123 1.00 0.00 H new ATOM 596 N VAL A 40 2.507 -2.663 -6.303 1.00 0.00 N ATOM 597 CA VAL A 40 1.944 -3.081 -5.024 1.00 0.00 C ATOM 598 C VAL A 40 0.792 -4.060 -5.225 1.00 0.00 C ATOM 599 O VAL A 40 -0.222 -3.725 -5.837 1.00 0.00 O ATOM 600 CB VAL A 40 1.440 -1.873 -4.212 1.00 0.00 C ATOM 601 CG1 VAL A 40 0.762 -2.336 -2.931 1.00 0.00 C ATOM 602 CG2 VAL A 40 2.588 -0.923 -3.903 1.00 0.00 C ATOM 0 H VAL A 40 1.932 -1.998 -6.820 1.00 0.00 H new ATOM 0 HA VAL A 40 2.744 -3.574 -4.471 1.00 0.00 H new ATOM 0 HB VAL A 40 0.704 -1.336 -4.811 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.412 -1.469 -2.370 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.086 -2.974 -3.178 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.473 -2.897 -2.325 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.214 -0.075 -3.329 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.348 -1.447 -3.323 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.025 -0.565 -4.835 1.00 0.00 H new ATOM 612 N VAL A 41 0.956 -5.272 -4.705 1.00 0.00 N ATOM 613 CA VAL A 41 -0.070 -6.301 -4.825 1.00 0.00 C ATOM 614 C VAL A 41 -0.743 -6.565 -3.482 1.00 0.00 C ATOM 615 O VAL A 41 -0.081 -6.631 -2.446 1.00 0.00 O ATOM 616 CB VAL A 41 0.518 -7.620 -5.360 1.00 0.00 C ATOM 617 CG1 VAL A 41 -0.568 -8.678 -5.481 1.00 0.00 C ATOM 618 CG2 VAL A 41 1.203 -7.393 -6.699 1.00 0.00 C ATOM 0 H VAL A 41 1.790 -5.566 -4.196 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.811 -5.929 -5.533 1.00 0.00 H new ATOM 0 HB VAL A 41 1.265 -7.979 -4.652 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -0.134 -9.603 -5.861 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.010 -8.860 -4.501 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -1.340 -8.331 -6.168 1.00 0.00 H new ATOM 0 HG21 VAL A 41 1.613 -8.335 -7.062 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.478 -7.011 -7.418 1.00 0.00 H new ATOM 0 HG23 VAL A 41 2.009 -6.670 -6.577 1.00 0.00 H new ATOM 628 N LEU A 42 -2.063 -6.715 -3.508 1.00 0.00 N ATOM 629 CA LEU A 42 -2.827 -6.973 -2.293 1.00 0.00 C ATOM 630 C LEU A 42 -3.355 -8.404 -2.275 1.00 0.00 C ATOM 631 O LEU A 42 -4.311 -8.731 -2.978 1.00 0.00 O ATOM 632 CB LEU A 42 -3.991 -5.986 -2.180 1.00 0.00 C ATOM 633 CG LEU A 42 -4.970 -6.232 -1.032 1.00 0.00 C ATOM 634 CD1 LEU A 42 -4.325 -5.891 0.303 1.00 0.00 C ATOM 635 CD2 LEU A 42 -6.243 -5.423 -1.234 1.00 0.00 C ATOM 0 H LEU A 42 -2.626 -6.662 -4.357 1.00 0.00 H new ATOM 0 HA LEU A 42 -2.162 -6.840 -1.440 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -3.581 -4.982 -2.072 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -4.548 -6.004 -3.117 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.233 -7.290 -1.025 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -5.037 -6.072 1.108 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.443 -6.515 0.451 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.032 -4.841 0.308 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -6.928 -5.611 -0.407 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -5.998 -4.361 -1.268 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -6.716 -5.717 -2.171 1.00 0.00 H new ATOM 647 N ARG A 43 -2.728 -9.250 -1.466 1.00 0.00 N ATOM 648 CA ARG A 43 -3.135 -10.646 -1.355 1.00 0.00 C ATOM 649 C ARG A 43 -3.744 -10.928 0.015 1.00 0.00 C ATOM 650 O ARG A 43 -3.030 -11.063 1.007 1.00 0.00 O ATOM 651 CB ARG A 43 -1.939 -11.569 -1.593 1.00 0.00 C ATOM 652 CG ARG A 43 -1.652 -11.828 -3.063 1.00 0.00 C ATOM 653 CD ARG A 43 -0.814 -13.082 -3.255 1.00 0.00 C ATOM 654 NE ARG A 43 -1.501 -14.279 -2.776 1.00 0.00 N ATOM 655 CZ ARG A 43 -1.234 -15.504 -3.214 1.00 0.00 C ATOM 656 NH1 ARG A 43 -0.299 -15.694 -4.134 1.00 0.00 N ATOM 657 NH2 ARG A 43 -1.903 -16.543 -2.730 1.00 0.00 N ATOM 0 H ARG A 43 -1.936 -8.994 -0.877 1.00 0.00 H new ATOM 0 HA ARG A 43 -3.891 -10.839 -2.116 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -1.055 -11.130 -1.131 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -2.121 -12.521 -1.094 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -2.592 -11.931 -3.606 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -1.130 -10.971 -3.489 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -0.575 -13.200 -4.312 1.00 0.00 H new ATOM 0 HD3 ARG A 43 0.132 -12.970 -2.725 1.00 0.00 H new ATOM 0 HE ARG A 43 -2.225 -14.168 -2.066 1.00 0.00 H new ATOM 0 HH11 ARG A 43 0.218 -14.898 -4.508 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -0.096 -16.636 -4.468 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -2.623 -16.401 -2.021 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -1.698 -17.484 -3.067 1.00 0.00 H new ATOM 671 N GLY A 44 -5.070 -11.015 0.061 1.00 0.00 N ATOM 672 CA GLY A 44 -5.753 -11.279 1.314 1.00 0.00 C ATOM 673 C GLY A 44 -5.599 -10.145 2.309 1.00 0.00 C ATOM 674 O GLY A 44 -6.307 -9.141 2.230 1.00 0.00 O ATOM 0 H GLY A 44 -5.683 -10.907 -0.747 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -6.812 -11.445 1.119 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -5.361 -12.197 1.751 1.00 0.00 H new ATOM 678 N HIS A 45 -4.674 -10.306 3.249 1.00 0.00 N ATOM 679 CA HIS A 45 -4.430 -9.288 4.264 1.00 0.00 C ATOM 680 C HIS A 45 -2.962 -8.872 4.276 1.00 0.00 C ATOM 681 O HIS A 45 -2.498 -8.226 5.215 1.00 0.00 O ATOM 682 CB HIS A 45 -4.836 -9.806 5.644 1.00 0.00 C ATOM 683 CG HIS A 45 -4.504 -11.250 5.864 1.00 0.00 C ATOM 684 ND1 HIS A 45 -5.456 -12.207 6.145 1.00 0.00 N ATOM 685 CD2 HIS A 45 -3.316 -11.899 5.840 1.00 0.00 C ATOM 686 CE1 HIS A 45 -4.868 -13.382 6.286 1.00 0.00 C ATOM 687 NE2 HIS A 45 -3.569 -13.222 6.105 1.00 0.00 N ATOM 0 H HIS A 45 -4.081 -11.132 3.329 1.00 0.00 H new ATOM 0 HA HIS A 45 -5.035 -8.415 4.019 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -4.340 -9.207 6.408 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -5.909 -9.664 5.775 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -2.349 -11.458 5.648 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -5.365 -14.314 6.511 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -2.868 -13.961 6.154 1.00 0.00 H new ATOM 696 N SER A 46 -2.237 -9.249 3.228 1.00 0.00 N ATOM 697 CA SER A 46 -0.821 -8.919 3.119 1.00 0.00 C ATOM 698 C SER A 46 -0.541 -8.139 1.839 1.00 0.00 C ATOM 699 O SER A 46 -1.115 -8.423 0.786 1.00 0.00 O ATOM 700 CB SER A 46 0.025 -10.194 3.149 1.00 0.00 C ATOM 701 OG SER A 46 -0.235 -10.951 4.318 1.00 0.00 O ATOM 0 H SER A 46 -2.607 -9.783 2.442 1.00 0.00 H new ATOM 0 HA SER A 46 -0.553 -8.293 3.970 1.00 0.00 H new ATOM 0 HB2 SER A 46 -0.189 -10.797 2.266 1.00 0.00 H new ATOM 0 HB3 SER A 46 1.083 -9.933 3.108 1.00 0.00 H new ATOM 0 HG SER A 46 0.316 -11.761 4.312 1.00 0.00 H new ATOM 707 N LEU A 47 0.345 -7.154 1.935 1.00 0.00 N ATOM 708 CA LEU A 47 0.703 -6.332 0.785 1.00 0.00 C ATOM 709 C LEU A 47 2.085 -6.704 0.258 1.00 0.00 C ATOM 710 O LEU A 47 3.098 -6.462 0.915 1.00 0.00 O ATOM 711 CB LEU A 47 0.671 -4.850 1.163 1.00 0.00 C ATOM 712 CG LEU A 47 -0.664 -4.134 0.960 1.00 0.00 C ATOM 713 CD1 LEU A 47 -0.658 -2.784 1.661 1.00 0.00 C ATOM 714 CD2 LEU A 47 -0.960 -3.965 -0.523 1.00 0.00 C ATOM 0 H LEU A 47 0.829 -6.905 2.798 1.00 0.00 H new ATOM 0 HA LEU A 47 -0.027 -6.516 -0.003 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.955 -4.757 2.211 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.431 -4.330 0.580 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.452 -4.746 1.400 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -1.617 -2.289 1.505 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -0.494 -2.929 2.729 1.00 0.00 H new ATOM 0 HD13 LEU A 47 0.141 -2.165 1.252 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -1.914 -3.453 -0.648 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.169 -3.376 -0.987 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.009 -4.945 -0.998 1.00 0.00 H new ATOM 726 N TYR A 48 2.120 -7.292 -0.933 1.00 0.00 N ATOM 727 CA TYR A 48 3.378 -7.698 -1.549 1.00 0.00 C ATOM 728 C TYR A 48 3.771 -6.739 -2.668 1.00 0.00 C ATOM 729 O TYR A 48 3.221 -6.791 -3.769 1.00 0.00 O ATOM 730 CB TYR A 48 3.265 -9.121 -2.098 1.00 0.00 C ATOM 731 CG TYR A 48 2.862 -10.142 -1.058 1.00 0.00 C ATOM 732 CD1 TYR A 48 3.636 -10.347 0.078 1.00 0.00 C ATOM 733 CD2 TYR A 48 1.708 -10.900 -1.210 1.00 0.00 C ATOM 734 CE1 TYR A 48 3.272 -11.279 1.030 1.00 0.00 C ATOM 735 CE2 TYR A 48 1.336 -11.834 -0.262 1.00 0.00 C ATOM 736 CZ TYR A 48 2.122 -12.020 0.856 1.00 0.00 C ATOM 737 OH TYR A 48 1.756 -12.948 1.803 1.00 0.00 O ATOM 0 H TYR A 48 1.291 -7.498 -1.491 1.00 0.00 H new ATOM 0 HA TYR A 48 4.153 -7.671 -0.783 1.00 0.00 H new ATOM 0 HB2 TYR A 48 2.535 -9.132 -2.907 1.00 0.00 H new ATOM 0 HB3 TYR A 48 4.223 -9.412 -2.529 1.00 0.00 H new ATOM 0 HD1 TYR A 48 4.537 -9.768 0.219 1.00 0.00 H new ATOM 0 HD2 TYR A 48 1.091 -10.757 -2.085 1.00 0.00 H new ATOM 0 HE1 TYR A 48 3.885 -11.427 1.907 1.00 0.00 H new ATOM 0 HE2 TYR A 48 0.435 -12.415 -0.396 1.00 0.00 H new ATOM 0 HH TYR A 48 0.921 -13.383 1.530 1.00 0.00 H new ATOM 747 N LEU A 49 4.727 -5.863 -2.378 1.00 0.00 N ATOM 748 CA LEU A 49 5.197 -4.891 -3.359 1.00 0.00 C ATOM 749 C LEU A 49 6.284 -5.492 -4.245 1.00 0.00 C ATOM 750 O LEU A 49 6.780 -6.587 -3.979 1.00 0.00 O ATOM 751 CB LEU A 49 5.732 -3.643 -2.653 1.00 0.00 C ATOM 752 CG LEU A 49 4.762 -2.944 -1.700 1.00 0.00 C ATOM 753 CD1 LEU A 49 4.728 -3.654 -0.356 1.00 0.00 C ATOM 754 CD2 LEU A 49 5.148 -1.482 -1.523 1.00 0.00 C ATOM 0 H LEU A 49 5.192 -5.806 -1.472 1.00 0.00 H new ATOM 0 HA LEU A 49 4.353 -4.612 -3.990 1.00 0.00 H new ATOM 0 HB2 LEU A 49 6.624 -3.922 -2.092 1.00 0.00 H new ATOM 0 HB3 LEU A 49 6.044 -2.926 -3.412 1.00 0.00 H new ATOM 0 HG LEU A 49 3.763 -2.986 -2.135 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.032 -3.142 0.309 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.403 -4.685 -0.497 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.725 -3.645 0.086 1.00 0.00 H new ATOM 0 HD21 LEU A 49 4.447 -1.000 -0.842 1.00 0.00 H new ATOM 0 HD22 LEU A 49 6.155 -1.419 -1.111 1.00 0.00 H new ATOM 0 HD23 LEU A 49 5.119 -0.978 -2.489 1.00 0.00 H new ATOM 766 N TYR A 50 6.650 -4.768 -5.297 1.00 0.00 N ATOM 767 CA TYR A 50 7.677 -5.231 -6.222 1.00 0.00 C ATOM 768 C TYR A 50 8.240 -4.069 -7.035 1.00 0.00 C ATOM 769 O TYR A 50 7.493 -3.286 -7.623 1.00 0.00 O ATOM 770 CB TYR A 50 7.107 -6.295 -7.160 1.00 0.00 C ATOM 771 CG TYR A 50 6.685 -7.563 -6.452 1.00 0.00 C ATOM 772 CD1 TYR A 50 7.626 -8.495 -6.035 1.00 0.00 C ATOM 773 CD2 TYR A 50 5.344 -7.827 -6.200 1.00 0.00 C ATOM 774 CE1 TYR A 50 7.245 -9.655 -5.388 1.00 0.00 C ATOM 775 CE2 TYR A 50 4.954 -8.984 -5.552 1.00 0.00 C ATOM 776 CZ TYR A 50 5.908 -9.895 -5.149 1.00 0.00 C ATOM 777 OH TYR A 50 5.524 -11.048 -4.504 1.00 0.00 O ATOM 0 H TYR A 50 6.251 -3.859 -5.530 1.00 0.00 H new ATOM 0 HA TYR A 50 8.486 -5.669 -5.637 1.00 0.00 H new ATOM 0 HB2 TYR A 50 6.248 -5.880 -7.687 1.00 0.00 H new ATOM 0 HB3 TYR A 50 7.855 -6.541 -7.914 1.00 0.00 H new ATOM 0 HD1 TYR A 50 8.674 -8.310 -6.220 1.00 0.00 H new ATOM 0 HD2 TYR A 50 4.594 -7.117 -6.516 1.00 0.00 H new ATOM 0 HE1 TYR A 50 7.990 -10.370 -5.071 1.00 0.00 H new ATOM 0 HE2 TYR A 50 3.908 -9.174 -5.362 1.00 0.00 H new ATOM 0 HH TYR A 50 4.548 -11.063 -4.413 1.00 0.00 H new ATOM 787 N LYS A 51 9.564 -3.963 -7.065 1.00 0.00 N ATOM 788 CA LYS A 51 10.231 -2.900 -7.807 1.00 0.00 C ATOM 789 C LYS A 51 9.747 -2.859 -9.253 1.00 0.00 C ATOM 790 O LYS A 51 9.527 -1.786 -9.814 1.00 0.00 O ATOM 791 CB LYS A 51 11.748 -3.098 -7.771 1.00 0.00 C ATOM 792 CG LYS A 51 12.218 -4.330 -8.525 1.00 0.00 C ATOM 793 CD LYS A 51 13.698 -4.590 -8.301 1.00 0.00 C ATOM 794 CE LYS A 51 14.554 -3.859 -9.324 1.00 0.00 C ATOM 795 NZ LYS A 51 15.910 -4.460 -9.445 1.00 0.00 N ATOM 0 H LYS A 51 10.197 -4.601 -6.583 1.00 0.00 H new ATOM 0 HA LYS A 51 9.984 -1.950 -7.333 1.00 0.00 H new ATOM 0 HB2 LYS A 51 12.231 -2.217 -8.194 1.00 0.00 H new ATOM 0 HB3 LYS A 51 12.072 -3.172 -6.733 1.00 0.00 H new ATOM 0 HG2 LYS A 51 11.642 -5.197 -8.202 1.00 0.00 H new ATOM 0 HG3 LYS A 51 12.028 -4.200 -9.590 1.00 0.00 H new ATOM 0 HD2 LYS A 51 13.977 -4.270 -7.297 1.00 0.00 H new ATOM 0 HD3 LYS A 51 13.893 -5.661 -8.360 1.00 0.00 H new ATOM 0 HE2 LYS A 51 14.059 -3.882 -10.295 1.00 0.00 H new ATOM 0 HE3 LYS A 51 14.646 -2.811 -9.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 16.461 -3.933 -10.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 16.393 -4.415 -8.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 15.824 -5.453 -9.743 1.00 0.00 H new ATOM 809 N ASP A 52 9.582 -4.035 -9.850 1.00 0.00 N ATOM 810 CA ASP A 52 9.121 -4.133 -11.230 1.00 0.00 C ATOM 811 C ASP A 52 8.085 -5.243 -11.379 1.00 0.00 C ATOM 812 O ASP A 52 8.031 -6.170 -10.571 1.00 0.00 O ATOM 813 CB ASP A 52 10.302 -4.392 -12.167 1.00 0.00 C ATOM 814 CG ASP A 52 11.338 -3.287 -12.111 1.00 0.00 C ATOM 815 OD1 ASP A 52 10.952 -2.105 -12.226 1.00 0.00 O ATOM 816 OD2 ASP A 52 12.535 -3.604 -11.952 1.00 0.00 O ATOM 0 H ASP A 52 9.761 -4.933 -9.400 1.00 0.00 H new ATOM 0 HA ASP A 52 8.654 -3.186 -11.500 1.00 0.00 H new ATOM 0 HB2 ASP A 52 10.771 -5.340 -11.902 1.00 0.00 H new ATOM 0 HB3 ASP A 52 9.936 -4.492 -13.189 1.00 0.00 H new ATOM 821 N LYS A 53 7.262 -5.142 -12.418 1.00 0.00 N ATOM 822 CA LYS A 53 6.227 -6.136 -12.674 1.00 0.00 C ATOM 823 C LYS A 53 6.785 -7.309 -13.473 1.00 0.00 C ATOM 824 O LYS A 53 6.088 -7.895 -14.302 1.00 0.00 O ATOM 825 CB LYS A 53 5.057 -5.501 -13.430 1.00 0.00 C ATOM 826 CG LYS A 53 3.756 -6.273 -13.297 1.00 0.00 C ATOM 827 CD LYS A 53 2.574 -5.466 -13.805 1.00 0.00 C ATOM 828 CE LYS A 53 1.356 -6.347 -14.037 1.00 0.00 C ATOM 829 NZ LYS A 53 0.306 -5.645 -14.826 1.00 0.00 N ATOM 0 H LYS A 53 7.292 -4.381 -13.096 1.00 0.00 H new ATOM 0 HA LYS A 53 5.872 -6.510 -11.714 1.00 0.00 H new ATOM 0 HB2 LYS A 53 4.906 -4.486 -13.063 1.00 0.00 H new ATOM 0 HB3 LYS A 53 5.317 -5.423 -14.486 1.00 0.00 H new ATOM 0 HG2 LYS A 53 3.827 -7.206 -13.855 1.00 0.00 H new ATOM 0 HG3 LYS A 53 3.594 -6.538 -12.252 1.00 0.00 H new ATOM 0 HD2 LYS A 53 2.328 -4.686 -13.085 1.00 0.00 H new ATOM 0 HD3 LYS A 53 2.846 -4.967 -14.735 1.00 0.00 H new ATOM 0 HE2 LYS A 53 1.658 -7.254 -14.561 1.00 0.00 H new ATOM 0 HE3 LYS A 53 0.943 -6.656 -13.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -0.507 -6.279 -14.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -0.001 -4.793 -14.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 0.692 -5.372 -15.752 1.00 0.00 H new ATOM 1014 N PRO A 65 6.573 -7.981 3.951 1.00 0.00 N ATOM 1015 CA PRO A 65 5.156 -7.732 3.674 1.00 0.00 C ATOM 1016 C PRO A 65 4.497 -6.876 4.751 1.00 0.00 C ATOM 1017 O PRO A 65 4.945 -6.852 5.898 1.00 0.00 O ATOM 1018 CB PRO A 65 4.545 -9.135 3.659 1.00 0.00 C ATOM 1019 CG PRO A 65 5.453 -9.953 4.511 1.00 0.00 C ATOM 1020 CD PRO A 65 6.831 -9.386 4.309 1.00 0.00 C ATOM 0 HA PRO A 65 5.013 -7.180 2.745 1.00 0.00 H new ATOM 0 HB2 PRO A 65 3.530 -9.129 4.055 1.00 0.00 H new ATOM 0 HB3 PRO A 65 4.489 -9.532 2.645 1.00 0.00 H new ATOM 0 HG2 PRO A 65 5.159 -9.899 5.559 1.00 0.00 H new ATOM 0 HG3 PRO A 65 5.417 -11.004 4.223 1.00 0.00 H new ATOM 0 HD2 PRO A 65 7.435 -9.466 5.213 1.00 0.00 H new ATOM 0 HD3 PRO A 65 7.369 -9.910 3.519 1.00 0.00 H new ATOM 1028 N ILE A 66 3.433 -6.175 4.374 1.00 0.00 N ATOM 1029 CA ILE A 66 2.712 -5.319 5.309 1.00 0.00 C ATOM 1030 C ILE A 66 1.281 -5.805 5.508 1.00 0.00 C ATOM 1031 O ILE A 66 0.439 -5.670 4.620 1.00 0.00 O ATOM 1032 CB ILE A 66 2.684 -3.857 4.825 1.00 0.00 C ATOM 1033 CG1 ILE A 66 4.107 -3.344 4.599 1.00 0.00 C ATOM 1034 CG2 ILE A 66 1.953 -2.981 5.832 1.00 0.00 C ATOM 1035 CD1 ILE A 66 4.179 -2.151 3.672 1.00 0.00 C ATOM 0 H ILE A 66 3.051 -6.183 3.428 1.00 0.00 H new ATOM 0 HA ILE A 66 3.245 -5.369 6.259 1.00 0.00 H new ATOM 0 HB ILE A 66 2.148 -3.813 3.877 1.00 0.00 H new ATOM 0 HG12 ILE A 66 4.544 -3.074 5.560 1.00 0.00 H new ATOM 0 HG13 ILE A 66 4.714 -4.150 4.188 1.00 0.00 H new ATOM 0 HG21 ILE A 66 1.941 -1.951 5.477 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.929 -3.337 5.948 1.00 0.00 H new ATOM 0 HG23 ILE A 66 2.464 -3.027 6.793 1.00 0.00 H new ATOM 0 HD11 ILE A 66 5.218 -1.841 3.558 1.00 0.00 H new ATOM 0 HD12 ILE A 66 3.772 -2.422 2.698 1.00 0.00 H new ATOM 0 HD13 ILE A 66 3.599 -1.329 4.091 1.00 0.00 H new ATOM 1047 N SER A 67 1.011 -6.370 6.680 1.00 0.00 N ATOM 1048 CA SER A 67 -0.319 -6.879 6.996 1.00 0.00 C ATOM 1049 C SER A 67 -1.311 -5.733 7.170 1.00 0.00 C ATOM 1050 O SER A 67 -1.102 -4.834 7.984 1.00 0.00 O ATOM 1051 CB SER A 67 -0.274 -7.728 8.268 1.00 0.00 C ATOM 1052 OG SER A 67 0.092 -6.946 9.391 1.00 0.00 O ATOM 0 H SER A 67 1.696 -6.487 7.427 1.00 0.00 H new ATOM 0 HA SER A 67 -0.651 -7.501 6.165 1.00 0.00 H new ATOM 0 HB2 SER A 67 -1.250 -8.183 8.440 1.00 0.00 H new ATOM 0 HB3 SER A 67 0.439 -8.542 8.140 1.00 0.00 H new ATOM 0 HG SER A 67 -0.166 -6.013 9.238 1.00 0.00 H new ATOM 1058 N VAL A 68 -2.393 -5.773 6.399 1.00 0.00 N ATOM 1059 CA VAL A 68 -3.419 -4.739 6.467 1.00 0.00 C ATOM 1060 C VAL A 68 -4.696 -5.274 7.105 1.00 0.00 C ATOM 1061 O VAL A 68 -5.791 -4.783 6.833 1.00 0.00 O ATOM 1062 CB VAL A 68 -3.750 -4.184 5.069 1.00 0.00 C ATOM 1063 CG1 VAL A 68 -2.482 -3.739 4.357 1.00 0.00 C ATOM 1064 CG2 VAL A 68 -4.498 -5.223 4.247 1.00 0.00 C ATOM 0 H VAL A 68 -2.582 -6.510 5.720 1.00 0.00 H new ATOM 0 HA VAL A 68 -3.018 -3.934 7.083 1.00 0.00 H new ATOM 0 HB VAL A 68 -4.396 -3.314 5.186 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -2.736 -3.350 3.371 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -1.992 -2.959 4.940 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -1.808 -4.589 4.249 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -4.724 -4.814 3.262 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -3.880 -6.114 4.137 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -5.427 -5.487 4.752 1.00 0.00 H new ATOM 1074 N ASN A 69 -4.547 -6.285 7.956 1.00 0.00 N ATOM 1075 CA ASN A 69 -5.689 -6.887 8.634 1.00 0.00 C ATOM 1076 C ASN A 69 -6.348 -5.890 9.581 1.00 0.00 C ATOM 1077 O ASN A 69 -7.571 -5.860 9.715 1.00 0.00 O ATOM 1078 CB ASN A 69 -5.250 -8.131 9.410 1.00 0.00 C ATOM 1079 CG ASN A 69 -6.330 -8.640 10.345 1.00 0.00 C ATOM 1080 OD1 ASN A 69 -7.060 -9.576 10.017 1.00 0.00 O ATOM 1081 ND2 ASN A 69 -6.437 -8.025 11.516 1.00 0.00 N ATOM 0 H ASN A 69 -3.647 -6.704 8.192 1.00 0.00 H new ATOM 0 HA ASN A 69 -6.417 -7.177 7.877 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -4.982 -8.919 8.706 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -4.354 -7.899 9.986 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -7.146 -8.324 12.186 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -5.811 -7.254 11.746 1.00 0.00 H new ATOM 1088 N ALA A 70 -5.529 -5.074 10.236 1.00 0.00 N ATOM 1089 CA ALA A 70 -6.032 -4.073 11.169 1.00 0.00 C ATOM 1090 C ALA A 70 -5.374 -2.718 10.928 1.00 0.00 C ATOM 1091 O ALA A 70 -4.855 -2.096 11.856 1.00 0.00 O ATOM 1092 CB ALA A 70 -5.803 -4.526 12.603 1.00 0.00 C ATOM 0 H ALA A 70 -4.514 -5.086 10.138 1.00 0.00 H new ATOM 0 HA ALA A 70 -7.103 -3.962 11.002 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -6.183 -3.769 13.289 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -6.325 -5.467 12.775 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -4.736 -4.667 12.774 1.00 0.00 H new ATOM 1098 N CYS A 71 -5.398 -2.268 9.679 1.00 0.00 N ATOM 1099 CA CYS A 71 -4.802 -0.987 9.316 1.00 0.00 C ATOM 1100 C CYS A 71 -5.847 0.124 9.337 1.00 0.00 C ATOM 1101 O CYS A 71 -7.027 -0.123 9.586 1.00 0.00 O ATOM 1102 CB CYS A 71 -4.159 -1.073 7.931 1.00 0.00 C ATOM 1103 SG CYS A 71 -5.346 -1.171 6.571 1.00 0.00 S ATOM 0 H CYS A 71 -5.824 -2.771 8.900 1.00 0.00 H new ATOM 0 HA CYS A 71 -4.032 -0.751 10.051 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -3.524 -0.200 7.782 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -3.511 -1.949 7.897 1.00 0.00 H new ATOM 0 HG CYS A 71 -4.723 -1.025 5.440 1.00 0.00 H new ATOM 1109 N LEU A 72 -5.405 1.350 9.075 1.00 0.00 N ATOM 1110 CA LEU A 72 -6.301 2.500 9.065 1.00 0.00 C ATOM 1111 C LEU A 72 -6.001 3.414 7.881 1.00 0.00 C ATOM 1112 O LEU A 72 -4.976 4.096 7.855 1.00 0.00 O ATOM 1113 CB LEU A 72 -6.173 3.283 10.373 1.00 0.00 C ATOM 1114 CG LEU A 72 -6.445 2.496 11.655 1.00 0.00 C ATOM 1115 CD1 LEU A 72 -5.807 3.187 12.851 1.00 0.00 C ATOM 1116 CD2 LEU A 72 -7.942 2.328 11.870 1.00 0.00 C ATOM 0 H LEU A 72 -4.432 1.572 8.867 1.00 0.00 H new ATOM 0 HA LEU A 72 -7.322 2.132 8.967 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -5.165 3.694 10.430 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -6.861 4.128 10.336 1.00 0.00 H new ATOM 0 HG LEU A 72 -6.000 1.506 11.553 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -6.011 2.613 13.755 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -4.730 3.255 12.700 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -6.223 4.189 12.957 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -8.117 1.765 12.787 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -8.410 3.309 11.951 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -8.373 1.789 11.026 1.00 0.00 H new ATOM 1128 N ILE A 73 -6.902 3.423 6.904 1.00 0.00 N ATOM 1129 CA ILE A 73 -6.735 4.256 5.719 1.00 0.00 C ATOM 1130 C ILE A 73 -7.354 5.634 5.924 1.00 0.00 C ATOM 1131 O ILE A 73 -8.400 5.768 6.560 1.00 0.00 O ATOM 1132 CB ILE A 73 -7.367 3.601 4.477 1.00 0.00 C ATOM 1133 CG1 ILE A 73 -6.476 2.468 3.962 1.00 0.00 C ATOM 1134 CG2 ILE A 73 -7.595 4.639 3.389 1.00 0.00 C ATOM 1135 CD1 ILE A 73 -7.199 1.495 3.057 1.00 0.00 C ATOM 0 H ILE A 73 -7.755 2.863 6.910 1.00 0.00 H new ATOM 0 HA ILE A 73 -5.662 4.363 5.557 1.00 0.00 H new ATOM 0 HB ILE A 73 -8.332 3.180 4.758 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -5.633 2.897 3.421 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -6.065 1.924 4.813 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -8.042 4.161 2.518 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -8.265 5.415 3.761 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -6.642 5.087 3.108 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.507 0.719 2.730 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -8.026 1.038 3.601 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -7.586 2.026 2.187 1.00 0.00 H new ATOM 1147 N ASP A 74 -6.703 6.656 5.380 1.00 0.00 N ATOM 1148 CA ASP A 74 -7.190 8.025 5.500 1.00 0.00 C ATOM 1149 C ASP A 74 -6.690 8.884 4.343 1.00 0.00 C ATOM 1150 O ASP A 74 -5.487 8.967 4.095 1.00 0.00 O ATOM 1151 CB ASP A 74 -6.746 8.633 6.832 1.00 0.00 C ATOM 1152 CG ASP A 74 -7.431 7.987 8.020 1.00 0.00 C ATOM 1153 OD1 ASP A 74 -8.560 8.403 8.352 1.00 0.00 O ATOM 1154 OD2 ASP A 74 -6.838 7.065 8.618 1.00 0.00 O ATOM 0 H ASP A 74 -5.836 6.562 4.851 1.00 0.00 H new ATOM 0 HA ASP A 74 -8.279 8.000 5.466 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -5.666 8.525 6.936 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -6.960 9.702 6.830 1.00 0.00 H new ATOM 1159 N ILE A 75 -7.620 9.519 3.638 1.00 0.00 N ATOM 1160 CA ILE A 75 -7.273 10.370 2.507 1.00 0.00 C ATOM 1161 C ILE A 75 -6.140 11.325 2.866 1.00 0.00 C ATOM 1162 O ILE A 75 -6.340 12.295 3.599 1.00 0.00 O ATOM 1163 CB ILE A 75 -8.486 11.189 2.026 1.00 0.00 C ATOM 1164 CG1 ILE A 75 -9.618 10.256 1.591 1.00 0.00 C ATOM 1165 CG2 ILE A 75 -8.083 12.110 0.884 1.00 0.00 C ATOM 1166 CD1 ILE A 75 -10.878 10.985 1.181 1.00 0.00 C ATOM 0 H ILE A 75 -8.620 9.460 3.830 1.00 0.00 H new ATOM 0 HA ILE A 75 -6.948 9.710 1.703 1.00 0.00 H new ATOM 0 HB ILE A 75 -8.844 11.802 2.853 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -9.274 9.645 0.757 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -9.852 9.575 2.410 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -8.950 12.682 0.555 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -7.305 12.794 1.225 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -7.704 11.515 0.053 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -11.637 10.261 0.885 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -11.247 11.575 2.020 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -10.660 11.645 0.342 1.00 0.00 H new ATOM 1178 N SER A 76 -4.950 11.046 2.344 1.00 0.00 N ATOM 1179 CA SER A 76 -3.783 11.879 2.611 1.00 0.00 C ATOM 1180 C SER A 76 -4.195 13.327 2.856 1.00 0.00 C ATOM 1181 O SER A 76 -5.128 13.834 2.233 1.00 0.00 O ATOM 1182 CB SER A 76 -2.801 11.807 1.441 1.00 0.00 C ATOM 1183 OG SER A 76 -3.098 12.791 0.464 1.00 0.00 O ATOM 0 H SER A 76 -4.768 10.249 1.734 1.00 0.00 H new ATOM 0 HA SER A 76 -3.295 11.501 3.509 1.00 0.00 H new ATOM 0 HB2 SER A 76 -1.784 11.948 1.807 1.00 0.00 H new ATOM 0 HB3 SER A 76 -2.842 10.816 0.988 1.00 0.00 H new ATOM 0 HG SER A 76 -2.495 13.555 0.576 1.00 0.00 H new ATOM 1189 N TYR A 77 -3.492 13.989 3.769 1.00 0.00 N ATOM 1190 CA TYR A 77 -3.784 15.378 4.100 1.00 0.00 C ATOM 1191 C TYR A 77 -3.845 16.237 2.840 1.00 0.00 C ATOM 1192 O TYR A 77 -3.299 15.872 1.800 1.00 0.00 O ATOM 1193 CB TYR A 77 -2.726 15.930 5.057 1.00 0.00 C ATOM 1194 CG TYR A 77 -1.350 15.342 4.842 1.00 0.00 C ATOM 1195 CD1 TYR A 77 -0.512 15.831 3.847 1.00 0.00 C ATOM 1196 CD2 TYR A 77 -0.888 14.299 5.634 1.00 0.00 C ATOM 1197 CE1 TYR A 77 0.746 15.296 3.647 1.00 0.00 C ATOM 1198 CE2 TYR A 77 0.369 13.759 5.442 1.00 0.00 C ATOM 1199 CZ TYR A 77 1.182 14.260 4.447 1.00 0.00 C ATOM 1200 OH TYR A 77 2.435 13.726 4.252 1.00 0.00 O ATOM 0 H TYR A 77 -2.716 13.585 4.293 1.00 0.00 H new ATOM 0 HA TYR A 77 -4.758 15.412 4.588 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -2.672 17.012 4.940 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -3.039 15.735 6.083 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -0.850 16.643 3.220 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -1.522 13.903 6.413 1.00 0.00 H new ATOM 0 HE1 TYR A 77 1.385 15.687 2.869 1.00 0.00 H new ATOM 0 HE2 TYR A 77 0.713 12.949 6.068 1.00 0.00 H new ATOM 0 HH TYR A 77 2.588 13.006 4.899 1.00 0.00 H new ATOM 1210 N SER A 78 -4.513 17.382 2.944 1.00 0.00 N ATOM 1211 CA SER A 78 -4.649 18.293 1.814 1.00 0.00 C ATOM 1212 C SER A 78 -3.455 19.239 1.732 1.00 0.00 C ATOM 1213 O SER A 78 -3.617 20.458 1.705 1.00 0.00 O ATOM 1214 CB SER A 78 -5.945 19.097 1.932 1.00 0.00 C ATOM 1215 OG SER A 78 -7.061 18.242 2.107 1.00 0.00 O ATOM 0 H SER A 78 -4.968 17.700 3.799 1.00 0.00 H new ATOM 0 HA SER A 78 -4.682 17.698 0.901 1.00 0.00 H new ATOM 0 HB2 SER A 78 -5.874 19.785 2.774 1.00 0.00 H new ATOM 0 HB3 SER A 78 -6.084 19.703 1.036 1.00 0.00 H new ATOM 0 HG SER A 78 -7.877 18.780 2.182 1.00 0.00 H new ATOM 1221 N GLU A 79 -2.255 18.667 1.694 1.00 0.00 N ATOM 1222 CA GLU A 79 -1.034 19.459 1.617 1.00 0.00 C ATOM 1223 C GLU A 79 -0.077 18.884 0.576 1.00 0.00 C ATOM 1224 O GLU A 79 0.372 19.588 -0.329 1.00 0.00 O ATOM 1225 CB GLU A 79 -0.347 19.513 2.983 1.00 0.00 C ATOM 1226 CG GLU A 79 -0.792 20.684 3.842 1.00 0.00 C ATOM 1227 CD GLU A 79 -2.084 20.405 4.586 1.00 0.00 C ATOM 1228 OE1 GLU A 79 -2.088 19.500 5.447 1.00 0.00 O ATOM 1229 OE2 GLU A 79 -3.090 21.090 4.307 1.00 0.00 O ATOM 0 H GLU A 79 -2.103 17.659 1.715 1.00 0.00 H new ATOM 0 HA GLU A 79 -1.306 20.470 1.316 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -0.547 18.584 3.518 1.00 0.00 H new ATOM 0 HB3 GLU A 79 0.732 19.570 2.836 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -0.007 20.921 4.561 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -0.923 21.563 3.211 1.00 0.00 H new ATOM 1236 N THR A 80 0.232 17.598 0.712 1.00 0.00 N ATOM 1237 CA THR A 80 1.136 16.927 -0.213 1.00 0.00 C ATOM 1238 C THR A 80 0.832 17.313 -1.656 1.00 0.00 C ATOM 1239 O THR A 80 -0.327 17.484 -2.033 1.00 0.00 O ATOM 1240 CB THR A 80 1.048 15.396 -0.074 1.00 0.00 C ATOM 1241 OG1 THR A 80 2.016 14.770 -0.924 1.00 0.00 O ATOM 1242 CG2 THR A 80 -0.344 14.899 -0.431 1.00 0.00 C ATOM 0 H THR A 80 -0.131 17.000 1.455 1.00 0.00 H new ATOM 0 HA THR A 80 2.145 17.250 0.042 1.00 0.00 H new ATOM 0 HB THR A 80 1.254 15.136 0.964 1.00 0.00 H new ATOM 0 HG1 THR A 80 1.955 13.797 -0.828 1.00 0.00 H new ATOM 0 HG21 THR A 80 -0.381 13.815 -0.325 1.00 0.00 H new ATOM 0 HG22 THR A 80 -1.075 15.354 0.237 1.00 0.00 H new ATOM 0 HG23 THR A 80 -0.574 15.171 -1.461 1.00 0.00 H new ATOM 1250 N LYS A 81 1.881 17.449 -2.461 1.00 0.00 N ATOM 1251 CA LYS A 81 1.726 17.813 -3.864 1.00 0.00 C ATOM 1252 C LYS A 81 1.192 16.637 -4.676 1.00 0.00 C ATOM 1253 O LYS A 81 0.528 16.825 -5.695 1.00 0.00 O ATOM 1254 CB LYS A 81 3.065 18.278 -4.442 1.00 0.00 C ATOM 1255 CG LYS A 81 2.989 18.684 -5.903 1.00 0.00 C ATOM 1256 CD LYS A 81 2.185 19.961 -6.086 1.00 0.00 C ATOM 1257 CE LYS A 81 2.115 20.371 -7.549 1.00 0.00 C ATOM 1258 NZ LYS A 81 3.404 20.942 -8.027 1.00 0.00 N ATOM 0 H LYS A 81 2.848 17.312 -2.165 1.00 0.00 H new ATOM 0 HA LYS A 81 1.007 18.630 -3.924 1.00 0.00 H new ATOM 0 HB2 LYS A 81 3.430 19.123 -3.857 1.00 0.00 H new ATOM 0 HB3 LYS A 81 3.796 17.476 -4.334 1.00 0.00 H new ATOM 0 HG2 LYS A 81 3.996 18.828 -6.294 1.00 0.00 H new ATOM 0 HG3 LYS A 81 2.534 17.880 -6.482 1.00 0.00 H new ATOM 0 HD2 LYS A 81 1.176 19.816 -5.699 1.00 0.00 H new ATOM 0 HD3 LYS A 81 2.637 20.764 -5.503 1.00 0.00 H new ATOM 0 HE2 LYS A 81 1.854 19.505 -8.157 1.00 0.00 H new ATOM 0 HE3 LYS A 81 1.321 21.105 -7.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 3.315 21.209 -9.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 3.641 21.784 -7.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 4.158 20.233 -7.923 1.00 0.00 H new ATOM 1272 N ARG A 82 1.485 15.425 -4.216 1.00 0.00 N ATOM 1273 CA ARG A 82 1.034 14.219 -4.900 1.00 0.00 C ATOM 1274 C ARG A 82 -0.484 14.086 -4.822 1.00 0.00 C ATOM 1275 O ARG A 82 -1.085 14.305 -3.770 1.00 0.00 O ATOM 1276 CB ARG A 82 1.696 12.982 -4.289 1.00 0.00 C ATOM 1277 CG ARG A 82 3.167 12.841 -4.646 1.00 0.00 C ATOM 1278 CD ARG A 82 4.058 13.506 -3.609 1.00 0.00 C ATOM 1279 NE ARG A 82 5.460 13.520 -4.020 1.00 0.00 N ATOM 1280 CZ ARG A 82 6.359 14.370 -3.536 1.00 0.00 C ATOM 1281 NH1 ARG A 82 6.004 15.270 -2.629 1.00 0.00 N ATOM 1282 NH2 ARG A 82 7.615 14.321 -3.960 1.00 0.00 N ATOM 0 H ARG A 82 2.032 15.252 -3.373 1.00 0.00 H new ATOM 0 HA ARG A 82 1.322 14.297 -5.948 1.00 0.00 H new ATOM 0 HB2 ARG A 82 1.596 13.025 -3.204 1.00 0.00 H new ATOM 0 HB3 ARG A 82 1.163 12.092 -4.623 1.00 0.00 H new ATOM 0 HG2 ARG A 82 3.424 11.785 -4.724 1.00 0.00 H new ATOM 0 HG3 ARG A 82 3.350 13.287 -5.624 1.00 0.00 H new ATOM 0 HD2 ARG A 82 3.719 14.528 -3.442 1.00 0.00 H new ATOM 0 HD3 ARG A 82 3.964 12.980 -2.659 1.00 0.00 H new ATOM 0 HE ARG A 82 5.765 12.840 -4.716 1.00 0.00 H new ATOM 0 HH11 ARG A 82 5.039 15.311 -2.301 1.00 0.00 H new ATOM 0 HH12 ARG A 82 6.696 15.921 -2.259 1.00 0.00 H new ATOM 0 HH21 ARG A 82 7.891 13.630 -4.658 1.00 0.00 H new ATOM 0 HH22 ARG A 82 8.305 14.974 -3.588 1.00 0.00 H new ATOM 1296 N LYS A 83 -1.100 13.726 -5.944 1.00 0.00 N ATOM 1297 CA LYS A 83 -2.547 13.563 -6.004 1.00 0.00 C ATOM 1298 C LYS A 83 -2.935 12.093 -5.885 1.00 0.00 C ATOM 1299 O LYS A 83 -2.073 11.215 -5.858 1.00 0.00 O ATOM 1300 CB LYS A 83 -3.092 14.140 -7.313 1.00 0.00 C ATOM 1301 CG LYS A 83 -3.473 15.607 -7.219 1.00 0.00 C ATOM 1302 CD LYS A 83 -4.851 15.787 -6.605 1.00 0.00 C ATOM 1303 CE LYS A 83 -5.953 15.499 -7.613 1.00 0.00 C ATOM 1304 NZ LYS A 83 -5.973 16.502 -8.714 1.00 0.00 N ATOM 0 H LYS A 83 -0.618 13.542 -6.824 1.00 0.00 H new ATOM 0 HA LYS A 83 -2.983 14.105 -5.165 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -2.342 14.017 -8.094 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -3.966 13.565 -7.618 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -2.734 16.138 -6.619 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -3.456 16.053 -8.214 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -4.958 15.122 -5.748 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -4.954 16.806 -6.233 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -5.811 14.503 -8.032 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -6.918 15.497 -7.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -6.909 16.501 -9.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -5.777 17.447 -8.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -5.247 16.259 -9.418 1.00 0.00 H new ATOM 1318 N ASN A 84 -4.236 11.832 -5.814 1.00 0.00 N ATOM 1319 CA ASN A 84 -4.737 10.467 -5.698 1.00 0.00 C ATOM 1320 C ASN A 84 -3.882 9.654 -4.731 1.00 0.00 C ATOM 1321 O ASN A 84 -3.603 8.479 -4.969 1.00 0.00 O ATOM 1322 CB ASN A 84 -4.757 9.791 -7.070 1.00 0.00 C ATOM 1323 CG ASN A 84 -3.663 10.307 -7.985 1.00 0.00 C ATOM 1324 OD1 ASN A 84 -2.504 9.911 -7.870 1.00 0.00 O ATOM 1325 ND2 ASN A 84 -4.029 11.197 -8.901 1.00 0.00 N ATOM 0 H ASN A 84 -4.963 12.548 -5.835 1.00 0.00 H new ATOM 0 HA ASN A 84 -5.754 10.512 -5.307 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -4.643 8.714 -6.943 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -5.727 9.956 -7.539 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -3.337 11.580 -9.545 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -5.002 11.497 -8.960 1.00 0.00 H new ATOM 1332 N VAL A 85 -3.469 10.289 -3.638 1.00 0.00 N ATOM 1333 CA VAL A 85 -2.648 9.625 -2.633 1.00 0.00 C ATOM 1334 C VAL A 85 -3.430 9.401 -1.344 1.00 0.00 C ATOM 1335 O VAL A 85 -4.047 10.323 -0.811 1.00 0.00 O ATOM 1336 CB VAL A 85 -1.380 10.440 -2.316 1.00 0.00 C ATOM 1337 CG1 VAL A 85 -1.741 11.728 -1.590 1.00 0.00 C ATOM 1338 CG2 VAL A 85 -0.405 9.611 -1.494 1.00 0.00 C ATOM 0 H VAL A 85 -3.690 11.262 -3.427 1.00 0.00 H new ATOM 0 HA VAL A 85 -2.357 8.661 -3.050 1.00 0.00 H new ATOM 0 HB VAL A 85 -0.894 10.704 -3.256 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -0.833 12.291 -1.374 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -2.399 12.328 -2.219 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -2.250 11.489 -0.656 1.00 0.00 H new ATOM 0 HG21 VAL A 85 0.485 10.203 -1.279 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -0.878 9.315 -0.558 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -0.122 8.720 -2.055 1.00 0.00 H new ATOM 1348 N PHE A 86 -3.400 8.169 -0.846 1.00 0.00 N ATOM 1349 CA PHE A 86 -4.107 7.822 0.381 1.00 0.00 C ATOM 1350 C PHE A 86 -3.136 7.322 1.446 1.00 0.00 C ATOM 1351 O PHE A 86 -2.205 6.573 1.149 1.00 0.00 O ATOM 1352 CB PHE A 86 -5.168 6.756 0.100 1.00 0.00 C ATOM 1353 CG PHE A 86 -4.718 5.705 -0.875 1.00 0.00 C ATOM 1354 CD1 PHE A 86 -4.391 6.045 -2.177 1.00 0.00 C ATOM 1355 CD2 PHE A 86 -4.622 4.378 -0.488 1.00 0.00 C ATOM 1356 CE1 PHE A 86 -3.977 5.081 -3.077 1.00 0.00 C ATOM 1357 CE2 PHE A 86 -4.208 3.410 -1.383 1.00 0.00 C ATOM 1358 CZ PHE A 86 -3.886 3.762 -2.680 1.00 0.00 C ATOM 0 H PHE A 86 -2.893 7.394 -1.274 1.00 0.00 H new ATOM 0 HA PHE A 86 -4.596 8.721 0.755 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -5.446 6.275 1.038 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -6.064 7.240 -0.288 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -4.460 7.075 -2.493 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -4.873 4.097 0.524 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -3.725 5.359 -4.090 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -4.136 2.379 -1.069 1.00 0.00 H new ATOM 0 HZ PHE A 86 -3.564 3.007 -3.382 1.00 0.00 H new ATOM 1368 N ARG A 87 -3.360 7.742 2.687 1.00 0.00 N ATOM 1369 CA ARG A 87 -2.504 7.338 3.796 1.00 0.00 C ATOM 1370 C ARG A 87 -3.004 6.041 4.425 1.00 0.00 C ATOM 1371 O ARG A 87 -4.198 5.883 4.681 1.00 0.00 O ATOM 1372 CB ARG A 87 -2.449 8.442 4.854 1.00 0.00 C ATOM 1373 CG ARG A 87 -1.522 8.126 6.016 1.00 0.00 C ATOM 1374 CD ARG A 87 -0.980 9.395 6.657 1.00 0.00 C ATOM 1375 NE ARG A 87 -1.953 10.013 7.554 1.00 0.00 N ATOM 1376 CZ ARG A 87 -1.625 10.868 8.516 1.00 0.00 C ATOM 1377 NH1 ARG A 87 -0.357 11.204 8.706 1.00 0.00 N ATOM 1378 NH2 ARG A 87 -2.568 11.389 9.292 1.00 0.00 N ATOM 0 H ARG A 87 -4.127 8.362 2.950 1.00 0.00 H new ATOM 0 HA ARG A 87 -1.501 7.168 3.404 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -2.124 9.369 4.383 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -3.454 8.615 5.239 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -2.059 7.541 6.762 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -0.693 7.512 5.665 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -0.072 9.161 7.213 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -0.703 10.105 5.878 1.00 0.00 H new ATOM 0 HE ARG A 87 -2.938 9.775 7.435 1.00 0.00 H new ATOM 0 HH11 ARG A 87 0.371 10.806 8.112 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -0.109 11.861 9.446 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -3.545 11.133 9.150 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -2.315 12.046 10.031 1.00 0.00 H new ATOM 1392 N LEU A 88 -2.083 5.115 4.670 1.00 0.00 N ATOM 1393 CA LEU A 88 -2.430 3.831 5.269 1.00 0.00 C ATOM 1394 C LEU A 88 -1.554 3.542 6.483 1.00 0.00 C ATOM 1395 O LEU A 88 -0.329 3.654 6.420 1.00 0.00 O ATOM 1396 CB LEU A 88 -2.281 2.709 4.239 1.00 0.00 C ATOM 1397 CG LEU A 88 -2.212 1.289 4.800 1.00 0.00 C ATOM 1398 CD1 LEU A 88 -2.809 0.296 3.815 1.00 0.00 C ATOM 1399 CD2 LEU A 88 -0.774 0.915 5.131 1.00 0.00 C ATOM 0 H LEU A 88 -1.091 5.229 4.463 1.00 0.00 H new ATOM 0 HA LEU A 88 -3.468 3.879 5.597 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -3.121 2.764 3.547 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -1.377 2.893 3.659 1.00 0.00 H new ATOM 0 HG LEU A 88 -2.797 1.254 5.719 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -2.751 -0.710 4.232 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -3.852 0.552 3.628 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -2.253 0.333 2.878 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.744 -0.099 5.529 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -0.167 0.968 4.227 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -0.380 1.608 5.874 1.00 0.00 H new ATOM 1411 N THR A 89 -2.189 3.167 7.589 1.00 0.00 N ATOM 1412 CA THR A 89 -1.468 2.860 8.818 1.00 0.00 C ATOM 1413 C THR A 89 -1.661 1.402 9.219 1.00 0.00 C ATOM 1414 O THR A 89 -2.781 0.960 9.476 1.00 0.00 O ATOM 1415 CB THR A 89 -1.925 3.764 9.978 1.00 0.00 C ATOM 1416 OG1 THR A 89 -1.977 5.128 9.545 1.00 0.00 O ATOM 1417 CG2 THR A 89 -0.982 3.640 11.165 1.00 0.00 C ATOM 0 H THR A 89 -3.202 3.069 7.659 1.00 0.00 H new ATOM 0 HA THR A 89 -0.412 3.043 8.619 1.00 0.00 H new ATOM 0 HB THR A 89 -2.919 3.443 10.289 1.00 0.00 H new ATOM 0 HG1 THR A 89 -1.128 5.570 9.755 1.00 0.00 H new ATOM 0 HG21 THR A 89 -1.325 4.288 11.972 1.00 0.00 H new ATOM 0 HG22 THR A 89 -0.967 2.606 11.511 1.00 0.00 H new ATOM 0 HG23 THR A 89 0.023 3.937 10.864 1.00 0.00 H new ATOM 1425 N THR A 90 -0.561 0.657 9.272 1.00 0.00 N ATOM 1426 CA THR A 90 -0.609 -0.752 9.642 1.00 0.00 C ATOM 1427 C THR A 90 -0.034 -0.974 11.036 1.00 0.00 C ATOM 1428 O THR A 90 0.949 -0.341 11.421 1.00 0.00 O ATOM 1429 CB THR A 90 0.165 -1.624 8.634 1.00 0.00 C ATOM 1430 OG1 THR A 90 1.570 -1.369 8.744 1.00 0.00 O ATOM 1431 CG2 THR A 90 -0.296 -1.346 7.212 1.00 0.00 C ATOM 0 H THR A 90 0.374 1.006 9.063 1.00 0.00 H new ATOM 0 HA THR A 90 -1.659 -1.046 9.634 1.00 0.00 H new ATOM 0 HB THR A 90 -0.033 -2.671 8.865 1.00 0.00 H new ATOM 0 HG1 THR A 90 1.749 -0.428 8.537 1.00 0.00 H new ATOM 0 HG21 THR A 90 0.265 -1.973 6.519 1.00 0.00 H new ATOM 0 HG22 THR A 90 -1.359 -1.569 7.124 1.00 0.00 H new ATOM 0 HG23 THR A 90 -0.124 -0.297 6.972 1.00 0.00 H new ATOM 1439 N SER A 91 -0.652 -1.878 11.789 1.00 0.00 N ATOM 1440 CA SER A 91 -0.203 -2.182 13.142 1.00 0.00 C ATOM 1441 C SER A 91 1.320 -2.180 13.223 1.00 0.00 C ATOM 1442 O SER A 91 1.898 -1.835 14.254 1.00 0.00 O ATOM 1443 CB SER A 91 -0.747 -3.541 13.590 1.00 0.00 C ATOM 1444 OG SER A 91 -0.760 -3.644 15.003 1.00 0.00 O ATOM 0 H SER A 91 -1.465 -2.413 11.485 1.00 0.00 H new ATOM 0 HA SER A 91 -0.586 -1.408 13.807 1.00 0.00 H new ATOM 0 HB2 SER A 91 -1.757 -3.678 13.203 1.00 0.00 H new ATOM 0 HB3 SER A 91 -0.134 -4.338 13.170 1.00 0.00 H new ATOM 0 HG SER A 91 -1.113 -4.520 15.264 1.00 0.00 H new ATOM 1450 N ASP A 92 1.965 -2.566 12.127 1.00 0.00 N ATOM 1451 CA ASP A 92 3.421 -2.608 12.072 1.00 0.00 C ATOM 1452 C ASP A 92 3.998 -1.208 11.886 1.00 0.00 C ATOM 1453 O ASP A 92 4.665 -0.678 12.776 1.00 0.00 O ATOM 1454 CB ASP A 92 3.884 -3.519 10.934 1.00 0.00 C ATOM 1455 CG ASP A 92 5.388 -3.705 10.916 1.00 0.00 C ATOM 1456 OD1 ASP A 92 5.937 -4.201 11.923 1.00 0.00 O ATOM 1457 OD2 ASP A 92 6.017 -3.356 9.896 1.00 0.00 O ATOM 0 H ASP A 92 1.502 -2.854 11.265 1.00 0.00 H new ATOM 0 HA ASP A 92 3.784 -3.009 13.018 1.00 0.00 H new ATOM 0 HB2 ASP A 92 3.402 -4.492 11.032 1.00 0.00 H new ATOM 0 HB3 ASP A 92 3.562 -3.098 9.982 1.00 0.00 H new ATOM 1462 N CYS A 93 3.739 -0.616 10.726 1.00 0.00 N ATOM 1463 CA CYS A 93 4.235 0.722 10.423 1.00 0.00 C ATOM 1464 C CYS A 93 3.234 1.491 9.566 1.00 0.00 C ATOM 1465 O CYS A 93 2.191 0.960 9.187 1.00 0.00 O ATOM 1466 CB CYS A 93 5.582 0.639 9.703 1.00 0.00 C ATOM 1467 SG CYS A 93 6.884 -0.166 10.665 1.00 0.00 S ATOM 0 H CYS A 93 3.189 -1.041 9.980 1.00 0.00 H new ATOM 0 HA CYS A 93 4.367 1.256 11.364 1.00 0.00 H new ATOM 0 HB2 CYS A 93 5.449 0.097 8.767 1.00 0.00 H new ATOM 0 HB3 CYS A 93 5.906 1.647 9.444 1.00 0.00 H new ATOM 0 HG CYS A 93 6.409 -0.528 11.820 1.00 0.00 H new ATOM 1473 N GLU A 94 3.559 2.745 9.269 1.00 0.00 N ATOM 1474 CA GLU A 94 2.686 3.588 8.459 1.00 0.00 C ATOM 1475 C GLU A 94 3.360 3.962 7.142 1.00 0.00 C ATOM 1476 O GLU A 94 4.582 4.100 7.075 1.00 0.00 O ATOM 1477 CB GLU A 94 2.307 4.855 9.229 1.00 0.00 C ATOM 1478 CG GLU A 94 1.322 5.744 8.489 1.00 0.00 C ATOM 1479 CD GLU A 94 0.968 6.996 9.268 1.00 0.00 C ATOM 1480 OE1 GLU A 94 1.895 7.743 9.646 1.00 0.00 O ATOM 1481 OE2 GLU A 94 -0.237 7.230 9.499 1.00 0.00 O ATOM 0 H GLU A 94 4.419 3.200 9.576 1.00 0.00 H new ATOM 0 HA GLU A 94 1.781 3.022 8.236 1.00 0.00 H new ATOM 0 HB2 GLU A 94 1.877 4.571 10.190 1.00 0.00 H new ATOM 0 HB3 GLU A 94 3.211 5.426 9.440 1.00 0.00 H new ATOM 0 HG2 GLU A 94 1.747 6.028 7.526 1.00 0.00 H new ATOM 0 HG3 GLU A 94 0.413 5.180 8.283 1.00 0.00 H new ATOM 1488 N CYS A 95 2.554 4.125 6.098 1.00 0.00 N ATOM 1489 CA CYS A 95 3.072 4.482 4.782 1.00 0.00 C ATOM 1490 C CYS A 95 1.970 5.068 3.906 1.00 0.00 C ATOM 1491 O CYS A 95 0.783 4.921 4.200 1.00 0.00 O ATOM 1492 CB CYS A 95 3.683 3.256 4.102 1.00 0.00 C ATOM 1493 SG CYS A 95 2.467 2.046 3.530 1.00 0.00 S ATOM 0 H CYS A 95 1.541 4.016 6.137 1.00 0.00 H new ATOM 0 HA CYS A 95 3.846 5.238 4.915 1.00 0.00 H new ATOM 0 HB2 CYS A 95 4.280 3.585 3.251 1.00 0.00 H new ATOM 0 HB3 CYS A 95 4.364 2.769 4.800 1.00 0.00 H new ATOM 0 HG CYS A 95 1.866 2.502 2.471 1.00 0.00 H new ATOM 1499 N LEU A 96 2.370 5.734 2.828 1.00 0.00 N ATOM 1500 CA LEU A 96 1.417 6.346 1.909 1.00 0.00 C ATOM 1501 C LEU A 96 1.324 5.549 0.611 1.00 0.00 C ATOM 1502 O LEU A 96 2.161 4.688 0.338 1.00 0.00 O ATOM 1503 CB LEU A 96 1.823 7.789 1.607 1.00 0.00 C ATOM 1504 CG LEU A 96 1.336 8.845 2.600 1.00 0.00 C ATOM 1505 CD1 LEU A 96 2.308 10.014 2.655 1.00 0.00 C ATOM 1506 CD2 LEU A 96 -0.058 9.326 2.226 1.00 0.00 C ATOM 0 H LEU A 96 3.348 5.864 2.569 1.00 0.00 H new ATOM 0 HA LEU A 96 0.437 6.344 2.386 1.00 0.00 H new ATOM 0 HB2 LEU A 96 2.911 7.837 1.561 1.00 0.00 H new ATOM 0 HB3 LEU A 96 1.450 8.051 0.617 1.00 0.00 H new ATOM 0 HG LEU A 96 1.289 8.391 3.590 1.00 0.00 H new ATOM 0 HD11 LEU A 96 1.945 10.756 3.367 1.00 0.00 H new ATOM 0 HD12 LEU A 96 3.288 9.657 2.971 1.00 0.00 H new ATOM 0 HD13 LEU A 96 2.388 10.468 1.667 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -0.388 10.077 2.944 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -0.037 9.763 1.228 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -0.749 8.483 2.239 1.00 0.00 H new ATOM 1518 N PHE A 97 0.303 5.843 -0.186 1.00 0.00 N ATOM 1519 CA PHE A 97 0.102 5.156 -1.457 1.00 0.00 C ATOM 1520 C PHE A 97 -0.525 6.090 -2.488 1.00 0.00 C ATOM 1521 O PHE A 97 -1.538 6.735 -2.220 1.00 0.00 O ATOM 1522 CB PHE A 97 -0.787 3.926 -1.260 1.00 0.00 C ATOM 1523 CG PHE A 97 -0.078 2.773 -0.607 1.00 0.00 C ATOM 1524 CD1 PHE A 97 0.828 2.006 -1.320 1.00 0.00 C ATOM 1525 CD2 PHE A 97 -0.320 2.457 0.720 1.00 0.00 C ATOM 1526 CE1 PHE A 97 1.482 0.945 -0.723 1.00 0.00 C ATOM 1527 CE2 PHE A 97 0.331 1.397 1.324 1.00 0.00 C ATOM 1528 CZ PHE A 97 1.232 0.639 0.601 1.00 0.00 C ATOM 0 H PHE A 97 -0.399 6.553 0.025 1.00 0.00 H new ATOM 0 HA PHE A 97 1.076 4.837 -1.827 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -1.649 4.204 -0.653 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -1.170 3.605 -2.229 1.00 0.00 H new ATOM 0 HD1 PHE A 97 1.026 2.240 -2.356 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -1.025 3.045 1.289 1.00 0.00 H new ATOM 0 HE1 PHE A 97 2.187 0.356 -1.290 1.00 0.00 H new ATOM 0 HE2 PHE A 97 0.135 1.162 2.360 1.00 0.00 H new ATOM 0 HZ PHE A 97 1.740 -0.191 1.070 1.00 0.00 H new ATOM 1538 N GLN A 98 0.087 6.156 -3.666 1.00 0.00 N ATOM 1539 CA GLN A 98 -0.410 7.012 -4.736 1.00 0.00 C ATOM 1540 C GLN A 98 -1.039 6.181 -5.850 1.00 0.00 C ATOM 1541 O GLN A 98 -0.534 5.116 -6.203 1.00 0.00 O ATOM 1542 CB GLN A 98 0.724 7.869 -5.301 1.00 0.00 C ATOM 1543 CG GLN A 98 0.241 9.093 -6.062 1.00 0.00 C ATOM 1544 CD GLN A 98 1.344 10.107 -6.297 1.00 0.00 C ATOM 1545 OE1 GLN A 98 2.511 9.851 -6.001 1.00 0.00 O ATOM 1546 NE2 GLN A 98 0.978 11.267 -6.831 1.00 0.00 N ATOM 0 H GLN A 98 0.927 5.628 -3.903 1.00 0.00 H new ATOM 0 HA GLN A 98 -1.176 7.665 -4.318 1.00 0.00 H new ATOM 0 HB2 GLN A 98 1.367 8.191 -4.482 1.00 0.00 H new ATOM 0 HB3 GLN A 98 1.335 7.257 -5.964 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -0.170 8.780 -7.022 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -0.569 9.565 -5.506 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -0.001 11.436 -7.061 1.00 0.00 H new ATOM 0 HE22 GLN A 98 1.676 11.988 -7.011 1.00 0.00 H new ATOM 1555 N ALA A 99 -2.143 6.676 -6.400 1.00 0.00 N ATOM 1556 CA ALA A 99 -2.839 5.980 -7.475 1.00 0.00 C ATOM 1557 C ALA A 99 -2.654 6.701 -8.806 1.00 0.00 C ATOM 1558 O ALA A 99 -2.063 7.778 -8.861 1.00 0.00 O ATOM 1559 CB ALA A 99 -4.319 5.848 -7.146 1.00 0.00 C ATOM 0 H ALA A 99 -2.574 7.556 -6.119 1.00 0.00 H new ATOM 0 HA ALA A 99 -2.408 4.983 -7.568 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -4.827 5.326 -7.957 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -4.437 5.283 -6.221 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -4.754 6.840 -7.024 1.00 0.00 H new ATOM 1565 N GLU A 100 -3.162 6.098 -9.876 1.00 0.00 N ATOM 1566 CA GLU A 100 -3.051 6.682 -11.207 1.00 0.00 C ATOM 1567 C GLU A 100 -4.087 7.784 -11.406 1.00 0.00 C ATOM 1568 O GLU A 100 -3.807 8.810 -12.027 1.00 0.00 O ATOM 1569 CB GLU A 100 -3.224 5.604 -12.278 1.00 0.00 C ATOM 1570 CG GLU A 100 -2.844 4.211 -11.807 1.00 0.00 C ATOM 1571 CD GLU A 100 -2.768 3.210 -12.944 1.00 0.00 C ATOM 1572 OE1 GLU A 100 -3.708 3.172 -13.765 1.00 0.00 O ATOM 1573 OE2 GLU A 100 -1.768 2.465 -13.012 1.00 0.00 O ATOM 0 H GLU A 100 -3.654 5.205 -9.847 1.00 0.00 H new ATOM 0 HA GLU A 100 -2.057 7.120 -11.301 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -4.263 5.596 -12.609 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -2.616 5.864 -13.144 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -1.880 4.253 -11.300 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -3.574 3.868 -11.074 1.00 0.00 H new ATOM 1580 N ASP A 101 -5.285 7.565 -10.875 1.00 0.00 N ATOM 1581 CA ASP A 101 -6.364 8.538 -10.993 1.00 0.00 C ATOM 1582 C ASP A 101 -7.372 8.372 -9.860 1.00 0.00 C ATOM 1583 O ASP A 101 -7.521 7.284 -9.304 1.00 0.00 O ATOM 1584 CB ASP A 101 -7.066 8.392 -12.344 1.00 0.00 C ATOM 1585 CG ASP A 101 -7.722 9.681 -12.798 1.00 0.00 C ATOM 1586 OD1 ASP A 101 -8.763 10.054 -12.218 1.00 0.00 O ATOM 1587 OD2 ASP A 101 -7.193 10.317 -13.734 1.00 0.00 O ATOM 0 H ASP A 101 -5.533 6.721 -10.358 1.00 0.00 H new ATOM 0 HA ASP A 101 -5.930 9.535 -10.925 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -6.342 8.073 -13.094 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -7.821 7.608 -12.275 1.00 0.00 H new ATOM 1592 N ARG A 102 -8.062 9.457 -9.524 1.00 0.00 N ATOM 1593 CA ARG A 102 -9.054 9.432 -8.457 1.00 0.00 C ATOM 1594 C ARG A 102 -9.768 8.084 -8.410 1.00 0.00 C ATOM 1595 O ARG A 102 -9.661 7.347 -7.430 1.00 0.00 O ATOM 1596 CB ARG A 102 -10.074 10.555 -8.653 1.00 0.00 C ATOM 1597 CG ARG A 102 -11.095 10.653 -7.531 1.00 0.00 C ATOM 1598 CD ARG A 102 -12.089 11.778 -7.779 1.00 0.00 C ATOM 1599 NE ARG A 102 -13.239 11.330 -8.560 1.00 0.00 N ATOM 1600 CZ ARG A 102 -13.975 12.139 -9.313 1.00 0.00 C ATOM 1601 NH1 ARG A 102 -13.683 13.430 -9.387 1.00 0.00 N ATOM 1602 NH2 ARG A 102 -15.006 11.657 -9.995 1.00 0.00 N ATOM 0 H ARG A 102 -7.952 10.365 -9.976 1.00 0.00 H new ATOM 0 HA ARG A 102 -8.536 9.583 -7.510 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -9.545 11.504 -8.735 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -10.597 10.399 -9.596 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -11.629 9.707 -7.440 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -10.582 10.821 -6.584 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -12.432 12.176 -6.824 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -11.590 12.593 -8.303 1.00 0.00 H new ATOM 0 HE ARG A 102 -13.490 10.342 -8.525 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -12.891 13.804 -8.865 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -14.250 14.049 -9.966 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -15.234 10.664 -9.941 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -15.571 12.279 -10.573 1.00 0.00 H new ATOM 1616 N ASP A 103 -10.497 7.769 -9.476 1.00 0.00 N ATOM 1617 CA ASP A 103 -11.228 6.510 -9.557 1.00 0.00 C ATOM 1618 C ASP A 103 -10.369 5.350 -9.063 1.00 0.00 C ATOM 1619 O ASP A 103 -10.809 4.545 -8.241 1.00 0.00 O ATOM 1620 CB ASP A 103 -11.680 6.250 -10.995 1.00 0.00 C ATOM 1621 CG ASP A 103 -12.943 5.414 -11.062 1.00 0.00 C ATOM 1622 OD1 ASP A 103 -13.800 5.560 -10.165 1.00 0.00 O ATOM 1623 OD2 ASP A 103 -13.076 4.616 -12.013 1.00 0.00 O ATOM 0 H ASP A 103 -10.597 8.368 -10.295 1.00 0.00 H new ATOM 0 HA ASP A 103 -12.107 6.586 -8.916 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -11.851 7.202 -11.497 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -10.882 5.742 -11.537 1.00 0.00 H new ATOM 1628 N ASP A 104 -9.144 5.270 -9.570 1.00 0.00 N ATOM 1629 CA ASP A 104 -8.223 4.208 -9.180 1.00 0.00 C ATOM 1630 C ASP A 104 -7.936 4.260 -7.683 1.00 0.00 C ATOM 1631 O ASP A 104 -7.885 3.228 -7.014 1.00 0.00 O ATOM 1632 CB ASP A 104 -6.917 4.323 -9.967 1.00 0.00 C ATOM 1633 CG ASP A 104 -6.179 3.002 -10.060 1.00 0.00 C ATOM 1634 OD1 ASP A 104 -6.217 2.230 -9.078 1.00 0.00 O ATOM 1635 OD2 ASP A 104 -5.565 2.738 -11.115 1.00 0.00 O ATOM 0 H ASP A 104 -8.765 5.927 -10.252 1.00 0.00 H new ATOM 0 HA ASP A 104 -8.693 3.251 -9.408 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -7.132 4.687 -10.972 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -6.273 5.063 -9.491 1.00 0.00 H new ATOM 1640 N MET A 105 -7.748 5.469 -7.163 1.00 0.00 N ATOM 1641 CA MET A 105 -7.466 5.655 -5.745 1.00 0.00 C ATOM 1642 C MET A 105 -8.552 5.016 -4.886 1.00 0.00 C ATOM 1643 O MET A 105 -8.287 4.087 -4.121 1.00 0.00 O ATOM 1644 CB MET A 105 -7.351 7.145 -5.417 1.00 0.00 C ATOM 1645 CG MET A 105 -6.909 7.421 -3.989 1.00 0.00 C ATOM 1646 SD MET A 105 -7.064 9.160 -3.537 1.00 0.00 S ATOM 1647 CE MET A 105 -8.845 9.330 -3.453 1.00 0.00 C ATOM 0 H MET A 105 -7.786 6.334 -7.703 1.00 0.00 H new ATOM 0 HA MET A 105 -6.517 5.167 -5.522 1.00 0.00 H new ATOM 0 HB2 MET A 105 -6.641 7.606 -6.104 1.00 0.00 H new ATOM 0 HB3 MET A 105 -8.316 7.622 -5.588 1.00 0.00 H new ATOM 0 HG2 MET A 105 -7.506 6.817 -3.305 1.00 0.00 H new ATOM 0 HG3 MET A 105 -5.872 7.109 -3.867 1.00 0.00 H new ATOM 0 HE1 MET A 105 -9.099 10.340 -3.131 1.00 0.00 H new ATOM 0 HE2 MET A 105 -9.275 9.144 -4.437 1.00 0.00 H new ATOM 0 HE3 MET A 105 -9.246 8.610 -2.739 1.00 0.00 H new ATOM 1657 N LEU A 106 -9.775 5.519 -5.016 1.00 0.00 N ATOM 1658 CA LEU A 106 -10.902 4.996 -4.251 1.00 0.00 C ATOM 1659 C LEU A 106 -10.942 3.473 -4.312 1.00 0.00 C ATOM 1660 O LEU A 106 -10.962 2.801 -3.281 1.00 0.00 O ATOM 1661 CB LEU A 106 -12.215 5.574 -4.781 1.00 0.00 C ATOM 1662 CG LEU A 106 -12.692 6.871 -4.126 1.00 0.00 C ATOM 1663 CD1 LEU A 106 -11.556 7.878 -4.048 1.00 0.00 C ATOM 1664 CD2 LEU A 106 -13.872 7.453 -4.890 1.00 0.00 C ATOM 0 H LEU A 106 -10.011 6.288 -5.643 1.00 0.00 H new ATOM 0 HA LEU A 106 -10.774 5.296 -3.211 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -12.105 5.750 -5.851 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -12.995 4.822 -4.660 1.00 0.00 H new ATOM 0 HG LEU A 106 -13.019 6.644 -3.111 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -11.914 8.795 -3.579 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -10.741 7.462 -3.456 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -11.197 8.101 -5.053 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -14.198 8.375 -4.409 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -13.572 7.665 -5.916 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -14.693 6.736 -4.893 1.00 0.00 H new ATOM 1676 N ALA A 107 -10.953 2.934 -5.527 1.00 0.00 N ATOM 1677 CA ALA A 107 -10.986 1.490 -5.722 1.00 0.00 C ATOM 1678 C ALA A 107 -10.059 0.782 -4.740 1.00 0.00 C ATOM 1679 O ALA A 107 -10.372 -0.303 -4.249 1.00 0.00 O ATOM 1680 CB ALA A 107 -10.606 1.142 -7.154 1.00 0.00 C ATOM 0 H ALA A 107 -10.940 3.476 -6.391 1.00 0.00 H new ATOM 0 HA ALA A 107 -12.003 1.146 -5.534 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -10.635 0.060 -7.285 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -11.311 1.610 -7.841 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -9.600 1.506 -7.362 1.00 0.00 H new ATOM 1686 N TRP A 108 -8.918 1.401 -4.459 1.00 0.00 N ATOM 1687 CA TRP A 108 -7.945 0.829 -3.536 1.00 0.00 C ATOM 1688 C TRP A 108 -8.398 1.002 -2.091 1.00 0.00 C ATOM 1689 O TRP A 108 -8.440 0.039 -1.324 1.00 0.00 O ATOM 1690 CB TRP A 108 -6.576 1.481 -3.736 1.00 0.00 C ATOM 1691 CG TRP A 108 -5.720 0.770 -4.739 1.00 0.00 C ATOM 1692 CD1 TRP A 108 -5.408 1.196 -5.999 1.00 0.00 C ATOM 1693 CD2 TRP A 108 -5.068 -0.493 -4.568 1.00 0.00 C ATOM 1694 NE1 TRP A 108 -4.601 0.273 -6.621 1.00 0.00 N ATOM 1695 CE2 TRP A 108 -4.377 -0.772 -5.763 1.00 0.00 C ATOM 1696 CE3 TRP A 108 -4.999 -1.415 -3.520 1.00 0.00 C ATOM 1697 CZ2 TRP A 108 -3.629 -1.933 -5.938 1.00 0.00 C ATOM 1698 CZ3 TRP A 108 -4.256 -2.568 -3.694 1.00 0.00 C ATOM 1699 CH2 TRP A 108 -3.579 -2.818 -4.895 1.00 0.00 C ATOM 0 H TRP A 108 -8.644 2.299 -4.857 1.00 0.00 H new ATOM 0 HA TRP A 108 -7.866 -0.237 -3.747 1.00 0.00 H new ATOM 0 HB2 TRP A 108 -6.717 2.513 -4.056 1.00 0.00 H new ATOM 0 HB3 TRP A 108 -6.053 1.512 -2.780 1.00 0.00 H new ATOM 0 HD1 TRP A 108 -5.746 2.122 -6.441 1.00 0.00 H new ATOM 0 HE1 TRP A 108 -4.229 0.353 -7.567 1.00 0.00 H new ATOM 0 HE3 TRP A 108 -5.517 -1.230 -2.591 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 -3.107 -2.128 -6.863 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 -4.196 -3.288 -2.891 1.00 0.00 H new ATOM 0 HH2 TRP A 108 -3.006 -3.727 -5.000 1.00 0.00 H new ATOM 1710 N ILE A 109 -8.738 2.234 -1.725 1.00 0.00 N ATOM 1711 CA ILE A 109 -9.189 2.531 -0.372 1.00 0.00 C ATOM 1712 C ILE A 109 -10.280 1.561 0.070 1.00 0.00 C ATOM 1713 O ILE A 109 -10.239 1.026 1.178 1.00 0.00 O ATOM 1714 CB ILE A 109 -9.723 3.972 -0.260 1.00 0.00 C ATOM 1715 CG1 ILE A 109 -8.578 4.976 -0.406 1.00 0.00 C ATOM 1716 CG2 ILE A 109 -10.443 4.169 1.066 1.00 0.00 C ATOM 1717 CD1 ILE A 109 -9.045 6.405 -0.571 1.00 0.00 C ATOM 0 H ILE A 109 -8.709 3.042 -2.347 1.00 0.00 H new ATOM 0 HA ILE A 109 -8.323 2.421 0.280 1.00 0.00 H new ATOM 0 HB ILE A 109 -10.436 4.143 -1.066 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -7.935 4.912 0.472 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -7.970 4.699 -1.267 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -10.814 5.192 1.130 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -11.280 3.474 1.132 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -9.751 3.982 1.887 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -8.180 7.061 -0.669 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -9.664 6.485 -1.465 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -9.628 6.700 0.301 1.00 0.00 H new ATOM 1729 N LYS A 110 -11.254 1.337 -0.805 1.00 0.00 N ATOM 1730 CA LYS A 110 -12.355 0.429 -0.509 1.00 0.00 C ATOM 1731 C LYS A 110 -11.866 -1.014 -0.435 1.00 0.00 C ATOM 1732 O LYS A 110 -11.895 -1.637 0.627 1.00 0.00 O ATOM 1733 CB LYS A 110 -13.448 0.554 -1.574 1.00 0.00 C ATOM 1734 CG LYS A 110 -14.554 -0.478 -1.435 1.00 0.00 C ATOM 1735 CD LYS A 110 -15.505 -0.438 -2.619 1.00 0.00 C ATOM 1736 CE LYS A 110 -16.405 0.787 -2.569 1.00 0.00 C ATOM 1737 NZ LYS A 110 -17.463 0.657 -1.529 1.00 0.00 N ATOM 0 H LYS A 110 -11.303 1.772 -1.726 1.00 0.00 H new ATOM 0 HA LYS A 110 -12.768 0.704 0.461 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -13.884 1.551 -1.519 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -12.995 0.458 -2.561 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -14.116 -1.473 -1.352 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -15.109 -0.296 -0.515 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -14.933 -0.433 -3.547 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -16.117 -1.340 -2.627 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -15.802 1.672 -2.365 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -16.870 0.936 -3.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -18.153 1.427 -1.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -17.945 -0.258 -1.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -17.030 0.711 -0.585 1.00 0.00 H new ATOM 1751 N THR A 111 -11.414 -1.540 -1.569 1.00 0.00 N ATOM 1752 CA THR A 111 -10.918 -2.909 -1.633 1.00 0.00 C ATOM 1753 C THR A 111 -10.156 -3.277 -0.365 1.00 0.00 C ATOM 1754 O THR A 111 -10.490 -4.250 0.311 1.00 0.00 O ATOM 1755 CB THR A 111 -9.998 -3.117 -2.850 1.00 0.00 C ATOM 1756 OG1 THR A 111 -10.689 -2.762 -4.053 1.00 0.00 O ATOM 1757 CG2 THR A 111 -9.531 -4.562 -2.935 1.00 0.00 C ATOM 0 H THR A 111 -11.381 -1.038 -2.456 1.00 0.00 H new ATOM 0 HA THR A 111 -11.789 -3.557 -1.731 1.00 0.00 H new ATOM 0 HB THR A 111 -9.124 -2.476 -2.731 1.00 0.00 H new ATOM 0 HG1 THR A 111 -10.276 -1.964 -4.444 1.00 0.00 H new ATOM 0 HG21 THR A 111 -8.883 -4.684 -3.803 1.00 0.00 H new ATOM 0 HG22 THR A 111 -8.980 -4.820 -2.031 1.00 0.00 H new ATOM 0 HG23 THR A 111 -10.396 -5.219 -3.033 1.00 0.00 H new ATOM 1765 N ILE A 112 -9.131 -2.492 -0.048 1.00 0.00 N ATOM 1766 CA ILE A 112 -8.323 -2.736 1.141 1.00 0.00 C ATOM 1767 C ILE A 112 -9.165 -2.637 2.408 1.00 0.00 C ATOM 1768 O ILE A 112 -9.210 -3.570 3.209 1.00 0.00 O ATOM 1769 CB ILE A 112 -7.151 -1.741 1.238 1.00 0.00 C ATOM 1770 CG1 ILE A 112 -6.364 -1.717 -0.074 1.00 0.00 C ATOM 1771 CG2 ILE A 112 -6.242 -2.105 2.402 1.00 0.00 C ATOM 1772 CD1 ILE A 112 -5.651 -0.407 -0.327 1.00 0.00 C ATOM 0 H ILE A 112 -8.841 -1.683 -0.597 1.00 0.00 H new ATOM 0 HA ILE A 112 -7.925 -3.747 1.050 1.00 0.00 H new ATOM 0 HB ILE A 112 -7.554 -0.744 1.416 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -5.631 -2.524 -0.064 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -7.046 -1.916 -0.901 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -5.419 -1.393 2.457 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -6.811 -2.075 3.331 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -5.844 -3.109 2.253 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -5.114 -0.462 -1.274 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -6.380 0.402 -0.370 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -4.944 -0.216 0.480 1.00 0.00 H new ATOM 1784 N GLN A 113 -9.833 -1.501 2.581 1.00 0.00 N ATOM 1785 CA GLN A 113 -10.676 -1.282 3.751 1.00 0.00 C ATOM 1786 C GLN A 113 -11.585 -2.481 4.000 1.00 0.00 C ATOM 1787 O GLN A 113 -11.839 -2.850 5.146 1.00 0.00 O ATOM 1788 CB GLN A 113 -11.517 -0.018 3.569 1.00 0.00 C ATOM 1789 CG GLN A 113 -10.839 1.244 4.079 1.00 0.00 C ATOM 1790 CD GLN A 113 -11.831 2.312 4.495 1.00 0.00 C ATOM 1791 OE1 GLN A 113 -13.037 2.168 4.294 1.00 0.00 O ATOM 1792 NE2 GLN A 113 -11.326 3.393 5.080 1.00 0.00 N ATOM 0 H GLN A 113 -9.807 -0.719 1.927 1.00 0.00 H new ATOM 0 HA GLN A 113 -10.027 -1.157 4.617 1.00 0.00 H new ATOM 0 HB2 GLN A 113 -11.747 0.106 2.511 1.00 0.00 H new ATOM 0 HB3 GLN A 113 -12.466 -0.146 4.089 1.00 0.00 H new ATOM 0 HG2 GLN A 113 -10.204 0.993 4.929 1.00 0.00 H new ATOM 0 HG3 GLN A 113 -10.188 1.642 3.301 1.00 0.00 H new ATOM 0 HE21 GLN A 113 -10.320 3.470 5.227 1.00 0.00 H new ATOM 0 HE22 GLN A 113 -11.945 4.145 5.382 1.00 0.00 H new ATOM 1801 N GLU A 114 -12.070 -3.083 2.919 1.00 0.00 N ATOM 1802 CA GLU A 114 -12.952 -4.240 3.022 1.00 0.00 C ATOM 1803 C GLU A 114 -12.259 -5.390 3.748 1.00 0.00 C ATOM 1804 O GLU A 114 -12.858 -6.055 4.593 1.00 0.00 O ATOM 1805 CB GLU A 114 -13.396 -4.696 1.630 1.00 0.00 C ATOM 1806 CG GLU A 114 -14.545 -3.880 1.061 1.00 0.00 C ATOM 1807 CD GLU A 114 -15.902 -4.417 1.473 1.00 0.00 C ATOM 1808 OE1 GLU A 114 -16.089 -5.651 1.433 1.00 0.00 O ATOM 1809 OE2 GLU A 114 -16.777 -3.603 1.836 1.00 0.00 O ATOM 0 H GLU A 114 -11.868 -2.790 1.963 1.00 0.00 H new ATOM 0 HA GLU A 114 -13.829 -3.945 3.598 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -12.547 -4.637 0.949 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -13.694 -5.743 1.678 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -14.451 -2.846 1.394 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -14.476 -3.872 -0.027 1.00 0.00 H new ATOM 1816 N SER A 115 -10.994 -5.617 3.412 1.00 0.00 N ATOM 1817 CA SER A 115 -10.220 -6.688 4.028 1.00 0.00 C ATOM 1818 C SER A 115 -9.878 -6.348 5.476 1.00 0.00 C ATOM 1819 O SER A 115 -9.919 -7.210 6.354 1.00 0.00 O ATOM 1820 CB SER A 115 -8.936 -6.940 3.235 1.00 0.00 C ATOM 1821 OG SER A 115 -8.158 -7.962 3.835 1.00 0.00 O ATOM 0 H SER A 115 -10.483 -5.074 2.716 1.00 0.00 H new ATOM 0 HA SER A 115 -10.828 -7.593 4.019 1.00 0.00 H new ATOM 0 HB2 SER A 115 -9.186 -7.222 2.212 1.00 0.00 H new ATOM 0 HB3 SER A 115 -8.353 -6.021 3.179 1.00 0.00 H new ATOM 0 HG SER A 115 -7.526 -8.321 3.177 1.00 0.00 H new ATOM 1827 N SER A 116 -9.541 -5.085 5.717 1.00 0.00 N ATOM 1828 CA SER A 116 -9.188 -4.631 7.056 1.00 0.00 C ATOM 1829 C SER A 116 -10.440 -4.333 7.876 1.00 0.00 C ATOM 1830 O SER A 116 -10.508 -3.328 8.582 1.00 0.00 O ATOM 1831 CB SER A 116 -8.307 -3.382 6.979 1.00 0.00 C ATOM 1832 OG SER A 116 -9.060 -2.251 6.575 1.00 0.00 O ATOM 0 H SER A 116 -9.505 -4.358 5.002 1.00 0.00 H new ATOM 0 HA SER A 116 -8.633 -5.429 7.548 1.00 0.00 H new ATOM 0 HB2 SER A 116 -7.854 -3.192 7.952 1.00 0.00 H new ATOM 0 HB3 SER A 116 -7.492 -3.551 6.275 1.00 0.00 H new ATOM 0 HG SER A 116 -9.676 -1.994 7.293 1.00 0.00 H new ATOM 1838 N ASN A 117 -11.429 -5.215 7.776 1.00 0.00 N ATOM 1839 CA ASN A 117 -12.680 -5.048 8.508 1.00 0.00 C ATOM 1840 C ASN A 117 -13.199 -6.391 9.012 1.00 0.00 C ATOM 1841 O ASN A 117 -13.069 -7.413 8.336 1.00 0.00 O ATOM 1842 CB ASN A 117 -13.731 -4.384 7.616 1.00 0.00 C ATOM 1843 CG ASN A 117 -14.778 -3.634 8.417 1.00 0.00 C ATOM 1844 OD1 ASN A 117 -14.544 -2.513 8.869 1.00 0.00 O ATOM 1845 ND2 ASN A 117 -15.940 -4.252 8.597 1.00 0.00 N ATOM 0 H ASN A 117 -11.389 -6.053 7.195 1.00 0.00 H new ATOM 0 HA ASN A 117 -12.486 -4.408 9.369 1.00 0.00 H new ATOM 0 HB2 ASN A 117 -13.239 -3.694 6.931 1.00 0.00 H new ATOM 0 HB3 ASN A 117 -14.219 -5.144 7.007 1.00 0.00 H new ATOM 0 HD21 ASN A 117 -16.683 -3.797 9.128 1.00 0.00 H new ATOM 0 HD22 ASN A 117 -16.090 -5.181 8.204 1.00 0.00 H new