USER MOD reduce.3.24.130724 H: found=0, std=0, add=688, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 688 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 30 THR OG1 : rot 81:sc= 1.01 USER MOD Set 1.2: A 48 GLN : amide:sc= -6.14! C(o=-17!,f=-17!) USER MOD Set 1.3: A 94 MET CE :methyl 129:sc= -10.6! (180deg=-13.7!) USER MOD Set 1.4: A 99 GLN : amide:sc= -1.56 K(o=-17,f=-25!) USER MOD Set 2.1: A 70 MET CE :methyl -151:sc= -2.15 (180deg=-2.4!) USER MOD Set 2.2: A 82 ASN : amide:sc= -1.09 K(o=-3.2,f=-5.9) USER MOD Set 3.1: A 65 SER OG : rot 62:sc= 1.12 USER MOD Set 3.2: A 66 GLN : amide:sc= -0.0348 X(o=1.1,f=1.1) USER MOD Single : A 14 HIS : no HD1:sc= -15.4! C(o=-15!,f=-23!) USER MOD Single : A 18 HIS :FLIP no HD1:sc= -0.8 F(o=-2.9!,f=-0.8) USER MOD Single : A 19 GLN : amide:sc=-0.00415 X(o=-0.0042,f=0) USER MOD Single : A 23 TYR OH : rot 32:sc= -0.443 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.183 K(o=-0.18,f=-1.7!) USER MOD Single : A 47 GLN : amide:sc= -2.8! C(o=-2.8!,f=-2.6!) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 GLN :FLIP amide:sc= -0.016 F(o=-0.84,f=-0.016) USER MOD Single : A 74 TYR OH : rot 102:sc= 0.65 USER MOD Single : A 79 TYR OH : rot -154:sc= -2.2 USER MOD Single : A 80 MET CE :methyl 153:sc= -0.844 (180deg=-2.02!) USER MOD Single : A 83 ASN : amide:sc= -0.0565 X(o=-0.057,f=-0.5) USER MOD Single : A 84 SER OG : rot -58:sc= 1.04 USER MOD Single : A 88 GLN : amide:sc= -0.0907 K(o=-0.091,f=-0.85) USER MOD Single : A 90 GLN : amide:sc= -2.14 K(o=-2.1,f=-4.4!) USER MOD Single : A 91 HIS :FLIP no HD1:sc= -18! C(o=-22!,f=-18!) USER MOD Single : A 92 HIS :FLIP no HD1:sc= -3.4 F(o=-5!,f=-3.4) USER MOD Single : A 104 LYS NZ :NH3+ 158:sc= 0.301 (180deg=-0.0445) USER MOD ----------------------------------------------------------------- ATOM 105 N ALA A 10 -6.757 3.995 -7.697 1.00 0.00 N ATOM 106 CA ALA A 10 -5.390 4.273 -7.294 1.00 0.00 C ATOM 107 C ALA A 10 -4.469 3.179 -7.839 1.00 0.00 C ATOM 108 O ALA A 10 -4.849 2.011 -7.888 1.00 0.00 O ATOM 109 CB ALA A 10 -5.320 4.389 -5.769 1.00 0.00 C ATOM 0 HA ALA A 10 -5.054 5.223 -7.709 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -4.294 4.598 -5.467 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -5.968 5.199 -5.436 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -5.648 3.453 -5.317 1.00 0.00 H new ATOM 115 N PRO A 11 -3.243 3.609 -8.243 1.00 0.00 N ATOM 116 CA PRO A 11 -2.266 2.679 -8.782 1.00 0.00 C ATOM 117 C PRO A 11 -1.641 1.834 -7.670 1.00 0.00 C ATOM 118 O PRO A 11 -1.877 2.083 -6.489 1.00 0.00 O ATOM 119 CB PRO A 11 -1.252 3.551 -9.507 1.00 0.00 C ATOM 120 CG PRO A 11 -1.441 4.955 -8.957 1.00 0.00 C ATOM 121 CD PRO A 11 -2.758 4.985 -8.198 1.00 0.00 C ATOM 0 HA PRO A 11 -2.708 1.953 -9.464 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -0.236 3.197 -9.332 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -1.417 3.528 -10.584 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -0.615 5.221 -8.298 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -1.451 5.684 -9.767 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -2.616 5.321 -7.171 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -3.467 5.670 -8.662 1.00 0.00 H new ATOM 129 N PRO A 12 -0.834 0.826 -8.099 1.00 0.00 N ATOM 130 CA PRO A 12 -0.175 -0.057 -7.153 1.00 0.00 C ATOM 131 C PRO A 12 1.006 0.646 -6.478 1.00 0.00 C ATOM 132 O PRO A 12 2.116 0.651 -7.007 1.00 0.00 O ATOM 133 CB PRO A 12 0.246 -1.268 -7.972 1.00 0.00 C ATOM 134 CG PRO A 12 0.220 -0.818 -9.423 1.00 0.00 C ATOM 135 CD PRO A 12 -0.532 0.502 -9.490 1.00 0.00 C ATOM 0 HA PRO A 12 -0.827 -0.354 -6.332 1.00 0.00 H new ATOM 0 HB2 PRO A 12 1.242 -1.606 -7.686 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -0.434 -2.105 -7.810 1.00 0.00 H new ATOM 0 HG2 PRO A 12 1.234 -0.699 -9.804 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -0.268 -1.567 -10.046 1.00 0.00 H new ATOM 0 HD2 PRO A 12 0.073 1.280 -9.956 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -1.443 0.410 -10.082 1.00 0.00 H new ATOM 143 N ASP A 13 0.725 1.223 -5.319 1.00 0.00 N ATOM 144 CA ASP A 13 1.748 1.927 -4.565 1.00 0.00 C ATOM 145 C ASP A 13 3.049 1.122 -4.605 1.00 0.00 C ATOM 146 O ASP A 13 4.137 1.690 -4.519 1.00 0.00 O ATOM 147 CB ASP A 13 1.340 2.091 -3.100 1.00 0.00 C ATOM 148 CG ASP A 13 2.303 2.920 -2.248 1.00 0.00 C ATOM 149 OD1 ASP A 13 2.202 4.154 -2.186 1.00 0.00 O ATOM 150 OD2 ASP A 13 3.201 2.237 -1.623 1.00 0.00 O ATOM 0 H ASP A 13 -0.197 1.217 -4.883 1.00 0.00 H new ATOM 0 HA ASP A 13 1.880 2.911 -5.015 1.00 0.00 H new ATOM 0 HB2 ASP A 13 0.355 2.555 -3.063 1.00 0.00 H new ATOM 0 HB3 ASP A 13 1.243 1.102 -2.653 1.00 0.00 H new ATOM 156 N HIS A 14 2.893 -0.188 -4.736 1.00 0.00 N ATOM 157 CA HIS A 14 4.042 -1.075 -4.788 1.00 0.00 C ATOM 158 C HIS A 14 3.685 -2.328 -5.592 1.00 0.00 C ATOM 159 O HIS A 14 2.537 -2.769 -5.584 1.00 0.00 O ATOM 160 CB HIS A 14 4.544 -1.399 -3.379 1.00 0.00 C ATOM 161 CG HIS A 14 3.915 -2.630 -2.770 1.00 0.00 C ATOM 162 ND1 HIS A 14 3.358 -2.639 -1.504 1.00 0.00 N ATOM 163 CD2 HIS A 14 3.762 -3.890 -3.268 1.00 0.00 C ATOM 164 CE1 HIS A 14 2.893 -3.856 -1.260 1.00 0.00 C ATOM 165 NE2 HIS A 14 3.146 -4.630 -2.354 1.00 0.00 N ATOM 0 H HIS A 14 1.989 -0.655 -4.808 1.00 0.00 H new ATOM 0 HA HIS A 14 4.867 -0.578 -5.299 1.00 0.00 H new ATOM 0 HB2 HIS A 14 5.625 -1.535 -3.412 1.00 0.00 H new ATOM 0 HB3 HIS A 14 4.349 -0.545 -2.730 1.00 0.00 H new ATOM 0 HD2 HIS A 14 4.087 -4.229 -4.241 1.00 0.00 H new ATOM 0 HE1 HIS A 14 2.401 -4.178 -0.354 1.00 0.00 H new ATOM 0 HE2 HIS A 14 2.902 -5.615 -2.454 1.00 0.00 H new ATOM 173 N LEU A 15 4.692 -2.865 -6.266 1.00 0.00 N ATOM 174 CA LEU A 15 4.500 -4.057 -7.074 1.00 0.00 C ATOM 175 C LEU A 15 5.560 -5.096 -6.703 1.00 0.00 C ATOM 176 O LEU A 15 6.696 -4.744 -6.389 1.00 0.00 O ATOM 177 CB LEU A 15 4.483 -3.699 -8.561 1.00 0.00 C ATOM 178 CG LEU A 15 3.245 -2.948 -9.057 1.00 0.00 C ATOM 179 CD1 LEU A 15 3.488 -2.345 -10.441 1.00 0.00 C ATOM 180 CD2 LEU A 15 2.010 -3.851 -9.033 1.00 0.00 C ATOM 0 H LEU A 15 5.643 -2.496 -6.269 1.00 0.00 H new ATOM 0 HA LEU A 15 3.528 -4.505 -6.867 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.362 -3.093 -8.778 1.00 0.00 H new ATOM 0 HB3 LEU A 15 4.580 -4.619 -9.137 1.00 0.00 H new ATOM 0 HG LEU A 15 3.051 -2.120 -8.375 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.593 -1.817 -10.770 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.324 -1.647 -10.392 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.721 -3.141 -11.149 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.144 -3.293 -9.390 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.177 -4.713 -9.678 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.827 -4.191 -8.013 1.00 0.00 H new ATOM 192 N TRP A 16 5.151 -6.356 -6.752 1.00 0.00 N ATOM 193 CA TRP A 16 6.051 -7.447 -6.425 1.00 0.00 C ATOM 194 C TRP A 16 5.974 -8.479 -7.552 1.00 0.00 C ATOM 195 O TRP A 16 4.964 -9.162 -7.705 1.00 0.00 O ATOM 196 CB TRP A 16 5.721 -8.037 -5.051 1.00 0.00 C ATOM 197 CG TRP A 16 6.060 -7.114 -3.879 1.00 0.00 C ATOM 198 CD1 TRP A 16 7.156 -6.361 -3.713 1.00 0.00 C ATOM 199 CD2 TRP A 16 5.248 -6.874 -2.711 1.00 0.00 C ATOM 200 NE1 TRP A 16 7.111 -5.657 -2.527 1.00 0.00 N ATOM 201 CE2 TRP A 16 5.913 -5.979 -1.898 1.00 0.00 C ATOM 202 CE3 TRP A 16 3.993 -7.397 -2.353 1.00 0.00 C ATOM 203 CZ2 TRP A 16 5.402 -5.528 -0.676 1.00 0.00 C ATOM 204 CZ3 TRP A 16 3.496 -6.936 -1.128 1.00 0.00 C ATOM 205 CH2 TRP A 16 4.153 -6.035 -0.299 1.00 0.00 C ATOM 0 H TRP A 16 4.208 -6.644 -7.013 1.00 0.00 H new ATOM 0 HA TRP A 16 7.078 -7.090 -6.350 1.00 0.00 H new ATOM 0 HB2 TRP A 16 4.658 -8.276 -5.016 1.00 0.00 H new ATOM 0 HB3 TRP A 16 6.263 -8.975 -4.930 1.00 0.00 H new ATOM 0 HD1 TRP A 16 7.972 -6.311 -4.419 1.00 0.00 H new ATOM 0 HE1 TRP A 16 7.825 -5.018 -2.176 1.00 0.00 H new ATOM 0 HE3 TRP A 16 3.455 -8.098 -2.974 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 5.942 -4.827 -0.057 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 2.535 -7.307 -0.805 1.00 0.00 H new ATOM 0 HH2 TRP A 16 3.702 -5.727 0.633 1.00 0.00 H new ATOM 216 N VAL A 17 7.056 -8.559 -8.313 1.00 0.00 N ATOM 217 CA VAL A 17 7.123 -9.493 -9.423 1.00 0.00 C ATOM 218 C VAL A 17 7.187 -10.922 -8.878 1.00 0.00 C ATOM 219 O VAL A 17 8.116 -11.271 -8.152 1.00 0.00 O ATOM 220 CB VAL A 17 8.305 -9.146 -10.330 1.00 0.00 C ATOM 221 CG1 VAL A 17 9.631 -9.292 -9.582 1.00 0.00 C ATOM 222 CG2 VAL A 17 8.293 -10.002 -11.599 1.00 0.00 C ATOM 0 H VAL A 17 7.893 -7.992 -8.182 1.00 0.00 H new ATOM 0 HA VAL A 17 6.226 -9.419 -10.038 1.00 0.00 H new ATOM 0 HB VAL A 17 8.203 -8.103 -10.629 1.00 0.00 H new ATOM 0 HG11 VAL A 17 10.455 -9.039 -10.249 1.00 0.00 H new ATOM 0 HG12 VAL A 17 9.640 -8.620 -8.724 1.00 0.00 H new ATOM 0 HG13 VAL A 17 9.744 -10.320 -9.239 1.00 0.00 H new ATOM 0 HG21 VAL A 17 9.144 -9.735 -12.226 1.00 0.00 H new ATOM 0 HG22 VAL A 17 8.359 -11.056 -11.328 1.00 0.00 H new ATOM 0 HG23 VAL A 17 7.368 -9.826 -12.148 1.00 0.00 H new ATOM 232 N HIS A 18 6.188 -11.708 -9.250 1.00 0.00 N ATOM 233 CA HIS A 18 6.119 -13.090 -8.805 1.00 0.00 C ATOM 234 C HIS A 18 6.278 -14.024 -10.007 1.00 0.00 C ATOM 235 O HIS A 18 6.835 -15.113 -9.882 1.00 0.00 O ATOM 236 CB HIS A 18 4.829 -13.346 -8.023 1.00 0.00 C ATOM 237 CG HIS A 18 4.527 -14.808 -7.797 1.00 0.00 C ATOM 238 ND1 HIS A 18 4.363 -15.832 -8.684 1.00 0.00 N flip ATOM 239 CD2 HIS A 18 4.360 -15.353 -6.536 1.00 0.00 C flip ATOM 240 CE1 HIS A 18 4.112 -16.942 -8.001 1.00 0.00 C flip ATOM 241 NE2 HIS A 18 4.108 -16.647 -6.670 1.00 0.00 N flip ATOM 0 H HIS A 18 5.420 -11.415 -9.854 1.00 0.00 H new ATOM 0 HA HIS A 18 6.939 -13.295 -8.117 1.00 0.00 H new ATOM 0 HB2 HIS A 18 4.897 -12.846 -7.057 1.00 0.00 H new ATOM 0 HB3 HIS A 18 3.995 -12.892 -8.559 1.00 0.00 H new ATOM 0 HD2 HIS A 18 4.424 -14.815 -5.602 1.00 0.00 H new ATOM 0 HE1 HIS A 18 3.939 -17.918 -8.429 1.00 0.00 H new ATOM 0 HE2 HIS A 18 3.940 -17.307 -5.910 1.00 0.00 H new ATOM 249 N GLN A 19 5.779 -13.563 -11.145 1.00 0.00 N ATOM 250 CA GLN A 19 5.859 -14.342 -12.367 1.00 0.00 C ATOM 251 C GLN A 19 6.441 -13.496 -13.500 1.00 0.00 C ATOM 252 O GLN A 19 6.414 -12.267 -13.439 1.00 0.00 O ATOM 253 CB GLN A 19 4.488 -14.902 -12.751 1.00 0.00 C ATOM 254 CG GLN A 19 4.270 -16.288 -12.141 1.00 0.00 C ATOM 255 CD GLN A 19 3.960 -17.322 -13.225 1.00 0.00 C ATOM 256 OE1 GLN A 19 2.881 -17.360 -13.794 1.00 0.00 O ATOM 257 NE2 GLN A 19 4.963 -18.157 -13.478 1.00 0.00 N ATOM 0 H GLN A 19 5.318 -12.659 -11.245 1.00 0.00 H new ATOM 0 HA GLN A 19 6.525 -15.187 -12.192 1.00 0.00 H new ATOM 0 HB2 GLN A 19 3.706 -14.224 -12.410 1.00 0.00 H new ATOM 0 HB3 GLN A 19 4.407 -14.962 -13.836 1.00 0.00 H new ATOM 0 HG2 GLN A 19 5.160 -16.590 -11.589 1.00 0.00 H new ATOM 0 HG3 GLN A 19 3.449 -16.249 -11.425 1.00 0.00 H new ATOM 0 HE21 GLN A 19 5.840 -18.070 -12.965 1.00 0.00 H new ATOM 0 HE22 GLN A 19 4.855 -18.884 -14.185 1.00 0.00 H new ATOM 266 N GLU A 20 6.957 -14.185 -14.508 1.00 0.00 N ATOM 267 CA GLU A 20 7.545 -13.512 -15.653 1.00 0.00 C ATOM 268 C GLU A 20 6.554 -12.507 -16.244 1.00 0.00 C ATOM 269 O GLU A 20 5.534 -12.895 -16.810 1.00 0.00 O ATOM 270 CB GLU A 20 7.998 -14.522 -16.709 1.00 0.00 C ATOM 271 CG GLU A 20 6.859 -15.474 -17.081 1.00 0.00 C ATOM 272 CD GLU A 20 6.924 -16.756 -16.248 1.00 0.00 C ATOM 273 OE1 GLU A 20 7.836 -16.914 -15.423 1.00 0.00 O ATOM 274 OE2 GLU A 20 5.981 -17.606 -16.480 1.00 0.00 O ATOM 0 H GLU A 20 6.980 -15.204 -14.555 1.00 0.00 H new ATOM 0 HA GLU A 20 8.427 -12.967 -15.317 1.00 0.00 H new ATOM 0 HB2 GLU A 20 8.341 -13.994 -17.599 1.00 0.00 H new ATOM 0 HB3 GLU A 20 8.846 -15.093 -16.331 1.00 0.00 H new ATOM 0 HG2 GLU A 20 5.900 -14.980 -16.921 1.00 0.00 H new ATOM 0 HG3 GLU A 20 6.918 -15.721 -18.141 1.00 0.00 H new ATOM 282 N GLY A 21 6.890 -11.234 -16.091 1.00 0.00 N ATOM 283 CA GLY A 21 6.043 -10.170 -16.604 1.00 0.00 C ATOM 284 C GLY A 21 4.781 -10.015 -15.752 1.00 0.00 C ATOM 285 O GLY A 21 3.747 -9.571 -16.245 1.00 0.00 O ATOM 0 H GLY A 21 7.737 -10.916 -15.619 1.00 0.00 H new ATOM 0 HA2 GLY A 21 6.597 -9.232 -16.613 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.765 -10.387 -17.636 1.00 0.00 H new ATOM 289 N ILE A 22 4.910 -10.391 -14.488 1.00 0.00 N ATOM 290 CA ILE A 22 3.793 -10.301 -13.564 1.00 0.00 C ATOM 291 C ILE A 22 4.231 -9.537 -12.313 1.00 0.00 C ATOM 292 O ILE A 22 5.423 -9.448 -12.023 1.00 0.00 O ATOM 293 CB ILE A 22 3.228 -11.692 -13.268 1.00 0.00 C ATOM 294 CG1 ILE A 22 2.298 -12.157 -14.390 1.00 0.00 C ATOM 295 CG2 ILE A 22 2.539 -11.726 -11.903 1.00 0.00 C ATOM 296 CD1 ILE A 22 3.084 -12.855 -15.501 1.00 0.00 C ATOM 0 H ILE A 22 5.771 -10.758 -14.083 1.00 0.00 H new ATOM 0 HA ILE A 22 2.974 -9.738 -14.012 1.00 0.00 H new ATOM 0 HB ILE A 22 4.060 -12.395 -13.226 1.00 0.00 H new ATOM 0 HG12 ILE A 22 1.549 -12.838 -13.987 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.763 -11.301 -14.801 1.00 0.00 H new ATOM 0 HG21 ILE A 22 2.147 -12.726 -11.718 1.00 0.00 H new ATOM 0 HG22 ILE A 22 3.259 -11.469 -11.126 1.00 0.00 H new ATOM 0 HG23 ILE A 22 1.720 -11.007 -11.891 1.00 0.00 H new ATOM 0 HD11 ILE A 22 2.399 -13.175 -16.286 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.816 -12.164 -15.919 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.599 -13.724 -15.092 1.00 0.00 H new ATOM 308 N TYR A 23 3.245 -9.006 -11.606 1.00 0.00 N ATOM 309 CA TYR A 23 3.514 -8.254 -10.393 1.00 0.00 C ATOM 310 C TYR A 23 2.312 -8.291 -9.446 1.00 0.00 C ATOM 311 O TYR A 23 1.169 -8.362 -9.893 1.00 0.00 O ATOM 312 CB TYR A 23 3.754 -6.810 -10.836 1.00 0.00 C ATOM 313 CG TYR A 23 5.213 -6.498 -11.181 1.00 0.00 C ATOM 314 CD1 TYR A 23 6.111 -6.205 -10.175 1.00 0.00 C ATOM 315 CD2 TYR A 23 5.629 -6.511 -12.496 1.00 0.00 C ATOM 316 CE1 TYR A 23 7.484 -5.913 -10.498 1.00 0.00 C ATOM 317 CE2 TYR A 23 7.001 -6.219 -12.819 1.00 0.00 C ATOM 318 CZ TYR A 23 7.861 -5.934 -11.805 1.00 0.00 C ATOM 319 OH TYR A 23 9.157 -5.658 -12.110 1.00 0.00 O ATOM 0 H TYR A 23 2.258 -9.082 -11.850 1.00 0.00 H new ATOM 0 HA TYR A 23 4.367 -8.676 -9.862 1.00 0.00 H new ATOM 0 HB2 TYR A 23 3.133 -6.600 -11.707 1.00 0.00 H new ATOM 0 HB3 TYR A 23 3.428 -6.138 -10.042 1.00 0.00 H new ATOM 0 HD1 TYR A 23 5.784 -6.195 -9.146 1.00 0.00 H new ATOM 0 HD2 TYR A 23 4.926 -6.740 -13.283 1.00 0.00 H new ATOM 0 HE1 TYR A 23 8.198 -5.683 -9.721 1.00 0.00 H new ATOM 0 HE2 TYR A 23 7.340 -6.226 -13.844 1.00 0.00 H new ATOM 0 HH TYR A 23 9.737 -5.966 -11.383 1.00 0.00 H new ATOM 329 N ARG A 24 2.613 -8.239 -8.157 1.00 0.00 N ATOM 330 CA ARG A 24 1.572 -8.267 -7.144 1.00 0.00 C ATOM 331 C ARG A 24 1.385 -6.875 -6.537 1.00 0.00 C ATOM 332 O ARG A 24 2.359 -6.209 -6.190 1.00 0.00 O ATOM 333 CB ARG A 24 1.913 -9.260 -6.031 1.00 0.00 C ATOM 334 CG ARG A 24 0.783 -10.273 -5.835 1.00 0.00 C ATOM 335 CD ARG A 24 1.337 -11.692 -5.698 1.00 0.00 C ATOM 336 NE ARG A 24 2.462 -11.705 -4.734 1.00 0.00 N ATOM 337 CZ ARG A 24 2.310 -11.709 -3.393 1.00 0.00 C ATOM 338 NH1 ARG A 24 1.077 -11.700 -2.843 1.00 0.00 N ATOM 339 NH2 ARG A 24 3.385 -11.720 -2.628 1.00 0.00 N ATOM 0 H ARG A 24 3.563 -8.178 -7.791 1.00 0.00 H new ATOM 0 HA ARG A 24 0.648 -8.584 -7.627 1.00 0.00 H new ATOM 0 HB2 ARG A 24 2.837 -9.784 -6.276 1.00 0.00 H new ATOM 0 HB3 ARG A 24 2.089 -8.722 -5.100 1.00 0.00 H new ATOM 0 HG2 ARG A 24 0.209 -10.015 -4.945 1.00 0.00 H new ATOM 0 HG3 ARG A 24 0.097 -10.227 -6.681 1.00 0.00 H new ATOM 0 HD2 ARG A 24 0.551 -12.367 -5.361 1.00 0.00 H new ATOM 0 HD3 ARG A 24 1.675 -12.055 -6.669 1.00 0.00 H new ATOM 0 HE ARG A 24 3.411 -11.711 -5.107 1.00 0.00 H new ATOM 0 HH11 ARG A 24 0.251 -11.690 -3.442 1.00 0.00 H new ATOM 0 HH12 ARG A 24 0.971 -11.703 -1.829 1.00 0.00 H new ATOM 0 HH21 ARG A 24 4.313 -11.725 -3.052 1.00 0.00 H new ATOM 0 HH22 ARG A 24 3.288 -11.723 -1.613 1.00 0.00 H new ATOM 352 N ASP A 25 0.126 -6.476 -6.428 1.00 0.00 N ATOM 353 CA ASP A 25 -0.201 -5.175 -5.870 1.00 0.00 C ATOM 354 C ASP A 25 -0.271 -5.282 -4.345 1.00 0.00 C ATOM 355 O ASP A 25 -0.094 -6.364 -3.787 1.00 0.00 O ATOM 356 CB ASP A 25 -1.562 -4.687 -6.372 1.00 0.00 C ATOM 357 CG ASP A 25 -1.830 -3.195 -6.162 1.00 0.00 C ATOM 358 OD1 ASP A 25 -0.943 -2.440 -5.738 1.00 0.00 O ATOM 359 OD2 ASP A 25 -3.026 -2.810 -6.458 1.00 0.00 O ATOM 0 H ASP A 25 -0.680 -7.031 -6.717 1.00 0.00 H new ATOM 0 HA ASP A 25 0.572 -4.471 -6.180 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -1.641 -4.909 -7.436 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -2.344 -5.256 -5.869 1.00 0.00 H new ATOM 365 N GLU A 26 -0.528 -4.145 -3.715 1.00 0.00 N ATOM 366 CA GLU A 26 -0.624 -4.098 -2.266 1.00 0.00 C ATOM 367 C GLU A 26 -2.057 -4.397 -1.818 1.00 0.00 C ATOM 368 O GLU A 26 -2.465 -4.003 -0.727 1.00 0.00 O ATOM 369 CB GLU A 26 -0.153 -2.745 -1.729 1.00 0.00 C ATOM 370 CG GLU A 26 -0.277 -2.686 -0.206 1.00 0.00 C ATOM 371 CD GLU A 26 0.836 -1.829 0.402 1.00 0.00 C ATOM 372 OE1 GLU A 26 1.745 -2.366 1.052 1.00 0.00 O ATOM 373 OE2 GLU A 26 0.735 -0.563 0.177 1.00 0.00 O ATOM 0 H GLU A 26 -0.673 -3.250 -4.181 1.00 0.00 H new ATOM 0 HA GLU A 26 0.032 -4.864 -1.853 1.00 0.00 H new ATOM 0 HB2 GLU A 26 0.884 -2.575 -2.020 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -0.744 -1.946 -2.177 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -1.248 -2.274 0.068 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -0.231 -3.694 0.206 1.00 0.00 H new ATOM 381 N TYR A 27 -2.781 -5.091 -2.684 1.00 0.00 N ATOM 382 CA TYR A 27 -4.159 -5.446 -2.391 1.00 0.00 C ATOM 383 C TYR A 27 -4.564 -6.723 -3.131 1.00 0.00 C ATOM 384 O TYR A 27 -5.642 -6.787 -3.720 1.00 0.00 O ATOM 385 CB TYR A 27 -5.012 -4.282 -2.902 1.00 0.00 C ATOM 386 CG TYR A 27 -5.210 -3.161 -1.880 1.00 0.00 C ATOM 387 CD1 TYR A 27 -5.993 -3.374 -0.764 1.00 0.00 C ATOM 388 CD2 TYR A 27 -4.604 -1.936 -2.074 1.00 0.00 C ATOM 389 CE1 TYR A 27 -6.179 -2.319 0.198 1.00 0.00 C ATOM 390 CE2 TYR A 27 -4.790 -0.880 -1.112 1.00 0.00 C ATOM 391 CZ TYR A 27 -5.569 -1.125 -0.024 1.00 0.00 C ATOM 392 OH TYR A 27 -5.744 -0.127 0.885 1.00 0.00 O ATOM 0 H TYR A 27 -2.439 -5.417 -3.588 1.00 0.00 H new ATOM 0 HA TYR A 27 -4.292 -5.624 -1.324 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -4.545 -3.867 -3.795 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -5.988 -4.664 -3.201 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -6.467 -4.333 -0.612 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -3.990 -1.769 -2.947 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -6.789 -2.473 1.076 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -4.322 0.083 -1.251 1.00 0.00 H new ATOM 0 HH TYR A 27 -5.249 0.668 0.597 1.00 0.00 H new ATOM 402 N GLN A 28 -3.679 -7.707 -3.075 1.00 0.00 N ATOM 403 CA GLN A 28 -3.932 -8.979 -3.731 1.00 0.00 C ATOM 404 C GLN A 28 -4.343 -8.752 -5.187 1.00 0.00 C ATOM 405 O GLN A 28 -5.181 -9.478 -5.719 1.00 0.00 O ATOM 406 CB GLN A 28 -4.996 -9.781 -2.980 1.00 0.00 C ATOM 407 CG GLN A 28 -6.386 -9.537 -3.571 1.00 0.00 C ATOM 408 CD GLN A 28 -7.446 -9.462 -2.470 1.00 0.00 C ATOM 409 OE1 GLN A 28 -7.211 -9.805 -1.323 1.00 0.00 O ATOM 410 NE2 GLN A 28 -8.621 -8.995 -2.881 1.00 0.00 N ATOM 0 H GLN A 28 -2.786 -7.650 -2.586 1.00 0.00 H new ATOM 0 HA GLN A 28 -3.011 -9.561 -3.720 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -4.758 -10.843 -3.029 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -4.991 -9.502 -1.926 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -6.384 -8.609 -4.142 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -6.635 -10.339 -4.266 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -8.750 -8.726 -3.856 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -9.394 -8.906 -2.221 1.00 0.00 H new ATOM 419 N ARG A 29 -3.734 -7.742 -5.790 1.00 0.00 N ATOM 420 CA ARG A 29 -4.025 -7.411 -7.174 1.00 0.00 C ATOM 421 C ARG A 29 -2.831 -7.757 -8.067 1.00 0.00 C ATOM 422 O ARG A 29 -1.768 -7.151 -7.947 1.00 0.00 O ATOM 423 CB ARG A 29 -4.355 -5.925 -7.328 1.00 0.00 C ATOM 424 CG ARG A 29 -5.567 -5.722 -8.239 1.00 0.00 C ATOM 425 CD ARG A 29 -6.858 -6.143 -7.535 1.00 0.00 C ATOM 426 NE ARG A 29 -7.974 -5.269 -7.959 1.00 0.00 N ATOM 427 CZ ARG A 29 -9.235 -5.368 -7.485 1.00 0.00 C ATOM 428 NH1 ARG A 29 -9.550 -6.305 -6.565 1.00 0.00 N ATOM 429 NH2 ARG A 29 -10.155 -4.535 -7.936 1.00 0.00 N ATOM 0 H ARG A 29 -3.040 -7.142 -5.345 1.00 0.00 H new ATOM 0 HA ARG A 29 -4.892 -7.997 -7.479 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -4.555 -5.490 -6.349 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -3.494 -5.399 -7.740 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -5.634 -4.675 -8.533 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -5.441 -6.302 -9.153 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -7.089 -7.182 -7.771 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -6.729 -6.083 -6.454 1.00 0.00 H new ATOM 0 HE ARG A 29 -7.779 -4.547 -8.652 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -8.833 -6.945 -6.223 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -10.505 -6.373 -6.212 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -9.908 -3.831 -8.632 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -11.112 -4.596 -7.589 1.00 0.00 H new ATOM 442 N THR A 30 -3.048 -8.730 -8.940 1.00 0.00 N ATOM 443 CA THR A 30 -2.002 -9.163 -9.851 1.00 0.00 C ATOM 444 C THR A 30 -1.847 -8.164 -10.999 1.00 0.00 C ATOM 445 O THR A 30 -2.817 -7.526 -11.408 1.00 0.00 O ATOM 446 CB THR A 30 -2.343 -10.579 -10.321 1.00 0.00 C ATOM 447 OG1 THR A 30 -3.715 -10.501 -10.694 1.00 0.00 O ATOM 448 CG2 THR A 30 -2.325 -11.595 -9.177 1.00 0.00 C ATOM 0 H THR A 30 -3.932 -9.230 -9.036 1.00 0.00 H new ATOM 0 HA THR A 30 -1.032 -9.193 -9.355 1.00 0.00 H new ATOM 0 HB THR A 30 -1.635 -10.886 -11.091 1.00 0.00 H new ATOM 0 HG1 THR A 30 -3.788 -10.123 -11.595 1.00 0.00 H new ATOM 0 HG21 THR A 30 -2.573 -12.583 -9.564 1.00 0.00 H new ATOM 0 HG22 THR A 30 -1.332 -11.620 -8.728 1.00 0.00 H new ATOM 0 HG23 THR A 30 -3.057 -11.306 -8.422 1.00 0.00 H new ATOM 456 N TRP A 31 -0.620 -8.057 -11.486 1.00 0.00 N ATOM 457 CA TRP A 31 -0.325 -7.145 -12.579 1.00 0.00 C ATOM 458 C TRP A 31 0.501 -7.905 -13.618 1.00 0.00 C ATOM 459 O TRP A 31 1.212 -8.851 -13.280 1.00 0.00 O ATOM 460 CB TRP A 31 0.372 -5.883 -12.067 1.00 0.00 C ATOM 461 CG TRP A 31 -0.555 -4.918 -11.325 1.00 0.00 C ATOM 462 CD1 TRP A 31 -1.026 -5.023 -10.075 1.00 0.00 C ATOM 463 CD2 TRP A 31 -1.107 -3.688 -11.841 1.00 0.00 C ATOM 464 NE1 TRP A 31 -1.838 -3.956 -9.749 1.00 0.00 N ATOM 465 CE2 TRP A 31 -1.889 -3.119 -10.857 1.00 0.00 C ATOM 466 CE3 TRP A 31 -0.952 -3.078 -13.098 1.00 0.00 C ATOM 467 CZ2 TRP A 31 -2.576 -1.911 -11.026 1.00 0.00 C ATOM 468 CZ3 TRP A 31 -1.645 -1.871 -13.252 1.00 0.00 C ATOM 469 CH2 TRP A 31 -2.436 -1.285 -12.271 1.00 0.00 C ATOM 0 H TRP A 31 0.182 -8.587 -11.144 1.00 0.00 H new ATOM 0 HA TRP A 31 -1.244 -6.798 -13.051 1.00 0.00 H new ATOM 0 HB2 TRP A 31 1.185 -6.174 -11.402 1.00 0.00 H new ATOM 0 HB3 TRP A 31 0.822 -5.361 -12.911 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -0.799 -5.840 -9.407 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -2.313 -3.809 -8.859 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -0.346 -3.506 -13.883 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -3.181 -1.485 -10.239 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -1.559 -1.360 -14.199 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -2.941 -0.351 -12.468 1.00 0.00 H new ATOM 480 N VAL A 32 0.382 -7.463 -14.861 1.00 0.00 N ATOM 481 CA VAL A 32 1.111 -8.088 -15.952 1.00 0.00 C ATOM 482 C VAL A 32 1.993 -7.042 -16.637 1.00 0.00 C ATOM 483 O VAL A 32 1.491 -6.168 -17.342 1.00 0.00 O ATOM 484 CB VAL A 32 0.133 -8.768 -16.913 1.00 0.00 C ATOM 485 CG1 VAL A 32 0.677 -8.762 -18.343 1.00 0.00 C ATOM 486 CG2 VAL A 32 -0.188 -10.190 -16.453 1.00 0.00 C ATOM 0 H VAL A 32 -0.209 -6.679 -15.137 1.00 0.00 H new ATOM 0 HA VAL A 32 1.770 -8.869 -15.573 1.00 0.00 H new ATOM 0 HB VAL A 32 -0.796 -8.197 -16.906 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -0.037 -9.251 -19.006 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.830 -7.733 -18.670 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.626 -9.297 -18.374 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -0.885 -10.650 -17.153 1.00 0.00 H new ATOM 0 HG22 VAL A 32 0.730 -10.776 -16.416 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -0.638 -10.159 -15.461 1.00 0.00 H new ATOM 496 N ALA A 33 3.291 -7.166 -16.404 1.00 0.00 N ATOM 497 CA ALA A 33 4.247 -6.242 -16.990 1.00 0.00 C ATOM 498 C ALA A 33 4.698 -6.777 -18.351 1.00 0.00 C ATOM 499 O ALA A 33 5.354 -7.814 -18.429 1.00 0.00 O ATOM 500 CB ALA A 33 5.418 -6.040 -16.027 1.00 0.00 C ATOM 0 H ALA A 33 3.703 -7.892 -15.818 1.00 0.00 H new ATOM 0 HA ALA A 33 3.787 -5.267 -17.154 1.00 0.00 H new ATOM 0 HB1 ALA A 33 6.135 -5.347 -16.467 1.00 0.00 H new ATOM 0 HB2 ALA A 33 5.049 -5.632 -15.086 1.00 0.00 H new ATOM 0 HB3 ALA A 33 5.905 -6.997 -15.841 1.00 0.00 H new ATOM 506 N VAL A 34 4.328 -6.043 -19.392 1.00 0.00 N ATOM 507 CA VAL A 34 4.686 -6.430 -20.745 1.00 0.00 C ATOM 508 C VAL A 34 5.889 -5.605 -21.206 1.00 0.00 C ATOM 509 O VAL A 34 5.731 -4.609 -21.910 1.00 0.00 O ATOM 510 CB VAL A 34 3.475 -6.287 -21.668 1.00 0.00 C ATOM 511 CG1 VAL A 34 3.878 -6.462 -23.133 1.00 0.00 C ATOM 512 CG2 VAL A 34 2.372 -7.274 -21.282 1.00 0.00 C ATOM 0 H VAL A 34 3.784 -5.183 -19.324 1.00 0.00 H new ATOM 0 HA VAL A 34 4.980 -7.479 -20.776 1.00 0.00 H new ATOM 0 HB VAL A 34 3.080 -5.278 -21.547 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.998 -6.356 -23.768 1.00 0.00 H new ATOM 0 HG12 VAL A 34 4.613 -5.703 -23.401 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.310 -7.452 -23.276 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.523 -7.151 -21.954 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.752 -8.293 -21.360 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.054 -7.082 -20.257 1.00 0.00 H new ATOM 522 N VAL A 35 7.067 -6.049 -20.789 1.00 0.00 N ATOM 523 CA VAL A 35 8.295 -5.364 -21.150 1.00 0.00 C ATOM 524 C VAL A 35 8.350 -5.188 -22.668 1.00 0.00 C ATOM 525 O VAL A 35 8.382 -6.169 -23.410 1.00 0.00 O ATOM 526 CB VAL A 35 9.501 -6.122 -20.592 1.00 0.00 C ATOM 527 CG1 VAL A 35 9.485 -7.584 -21.045 1.00 0.00 C ATOM 528 CG2 VAL A 35 10.811 -5.439 -20.989 1.00 0.00 C ATOM 0 H VAL A 35 7.195 -6.875 -20.205 1.00 0.00 H new ATOM 0 HA VAL A 35 8.320 -4.368 -20.707 1.00 0.00 H new ATOM 0 HB VAL A 35 9.433 -6.106 -19.504 1.00 0.00 H new ATOM 0 HG11 VAL A 35 10.352 -8.101 -20.635 1.00 0.00 H new ATOM 0 HG12 VAL A 35 8.574 -8.065 -20.689 1.00 0.00 H new ATOM 0 HG13 VAL A 35 9.517 -7.628 -22.134 1.00 0.00 H new ATOM 0 HG21 VAL A 35 11.652 -5.999 -20.579 1.00 0.00 H new ATOM 0 HG22 VAL A 35 10.891 -5.408 -22.076 1.00 0.00 H new ATOM 0 HG23 VAL A 35 10.825 -4.423 -20.595 1.00 0.00 H new ATOM 538 N GLU A 36 8.359 -3.932 -23.087 1.00 0.00 N ATOM 539 CA GLU A 36 8.408 -3.615 -24.505 1.00 0.00 C ATOM 540 C GLU A 36 9.158 -2.300 -24.730 1.00 0.00 C ATOM 541 O GLU A 36 8.580 -1.223 -24.595 1.00 0.00 O ATOM 542 CB GLU A 36 7.001 -3.553 -25.103 1.00 0.00 C ATOM 543 CG GLU A 36 7.023 -3.897 -26.593 1.00 0.00 C ATOM 544 CD GLU A 36 6.160 -5.126 -26.886 1.00 0.00 C ATOM 545 OE1 GLU A 36 4.924 -5.025 -26.902 1.00 0.00 O ATOM 546 OE2 GLU A 36 6.817 -6.214 -27.103 1.00 0.00 O ATOM 0 H GLU A 36 8.333 -3.121 -22.470 1.00 0.00 H new ATOM 0 HA GLU A 36 8.949 -4.411 -25.016 1.00 0.00 H new ATOM 0 HB2 GLU A 36 6.347 -4.247 -24.575 1.00 0.00 H new ATOM 0 HB3 GLU A 36 6.586 -2.555 -24.963 1.00 0.00 H new ATOM 0 HG2 GLU A 36 6.660 -3.047 -27.171 1.00 0.00 H new ATOM 0 HG3 GLU A 36 8.049 -4.084 -26.911 1.00 0.00 H new ATOM 611 N PHE A 41 14.009 3.131 -25.159 1.00 0.00 N ATOM 612 CA PHE A 41 13.665 3.190 -23.749 1.00 0.00 C ATOM 613 C PHE A 41 13.167 1.833 -23.249 1.00 0.00 C ATOM 614 O PHE A 41 13.005 0.899 -24.034 1.00 0.00 O ATOM 615 CB PHE A 41 12.541 4.217 -23.606 1.00 0.00 C ATOM 616 CG PHE A 41 12.998 5.668 -23.771 1.00 0.00 C ATOM 617 CD1 PHE A 41 14.019 6.151 -23.013 1.00 0.00 C ATOM 618 CD2 PHE A 41 12.384 6.474 -24.679 1.00 0.00 C ATOM 619 CE1 PHE A 41 14.443 7.496 -23.167 1.00 0.00 C ATOM 620 CE2 PHE A 41 12.809 7.821 -24.833 1.00 0.00 C ATOM 621 CZ PHE A 41 13.829 8.303 -24.075 1.00 0.00 C ATOM 0 HA PHE A 41 14.542 3.463 -23.163 1.00 0.00 H new ATOM 0 HB2 PHE A 41 11.771 4.003 -24.347 1.00 0.00 H new ATOM 0 HB3 PHE A 41 12.080 4.101 -22.625 1.00 0.00 H new ATOM 0 HD1 PHE A 41 14.507 5.510 -22.294 1.00 0.00 H new ATOM 0 HD2 PHE A 41 11.574 6.090 -25.282 1.00 0.00 H new ATOM 0 HE1 PHE A 41 15.253 7.880 -22.564 1.00 0.00 H new ATOM 0 HE2 PHE A 41 12.321 8.462 -25.553 1.00 0.00 H new ATOM 0 HZ PHE A 41 14.152 9.327 -24.193 1.00 0.00 H new ATOM 631 N LEU A 42 12.935 1.766 -21.946 1.00 0.00 N ATOM 632 CA LEU A 42 12.459 0.538 -21.333 1.00 0.00 C ATOM 633 C LEU A 42 11.048 0.763 -20.783 1.00 0.00 C ATOM 634 O LEU A 42 10.884 1.284 -19.681 1.00 0.00 O ATOM 635 CB LEU A 42 13.455 0.041 -20.284 1.00 0.00 C ATOM 636 CG LEU A 42 14.724 -0.621 -20.825 1.00 0.00 C ATOM 637 CD1 LEU A 42 14.379 -1.795 -21.745 1.00 0.00 C ATOM 638 CD2 LEU A 42 15.626 0.402 -21.516 1.00 0.00 C ATOM 0 H LEU A 42 13.068 2.542 -21.298 1.00 0.00 H new ATOM 0 HA LEU A 42 12.391 -0.257 -22.075 1.00 0.00 H new ATOM 0 HB2 LEU A 42 13.747 0.886 -19.660 1.00 0.00 H new ATOM 0 HB3 LEU A 42 12.945 -0.672 -19.636 1.00 0.00 H new ATOM 0 HG LEU A 42 15.284 -1.025 -19.982 1.00 0.00 H new ATOM 0 HD11 LEU A 42 15.298 -2.248 -22.116 1.00 0.00 H new ATOM 0 HD12 LEU A 42 13.807 -2.538 -21.188 1.00 0.00 H new ATOM 0 HD13 LEU A 42 13.786 -1.436 -22.586 1.00 0.00 H new ATOM 0 HD21 LEU A 42 16.520 -0.096 -21.891 1.00 0.00 H new ATOM 0 HD22 LEU A 42 15.089 0.858 -22.348 1.00 0.00 H new ATOM 0 HD23 LEU A 42 15.913 1.175 -20.803 1.00 0.00 H new ATOM 650 N ARG A 43 10.067 0.359 -21.576 1.00 0.00 N ATOM 651 CA ARG A 43 8.677 0.510 -21.183 1.00 0.00 C ATOM 652 C ARG A 43 8.111 -0.831 -20.711 1.00 0.00 C ATOM 653 O ARG A 43 8.106 -1.806 -21.461 1.00 0.00 O ATOM 654 CB ARG A 43 7.829 1.032 -22.345 1.00 0.00 C ATOM 655 CG ARG A 43 6.339 0.990 -21.999 1.00 0.00 C ATOM 656 CD ARG A 43 5.698 2.370 -22.162 1.00 0.00 C ATOM 657 NE ARG A 43 5.853 2.837 -23.558 1.00 0.00 N ATOM 658 CZ ARG A 43 5.145 3.851 -24.098 1.00 0.00 C ATOM 659 NH1 ARG A 43 4.225 4.512 -23.364 1.00 0.00 N ATOM 660 NH2 ARG A 43 5.365 4.185 -25.357 1.00 0.00 N ATOM 0 H ARG A 43 10.207 -0.073 -22.489 1.00 0.00 H new ATOM 0 HA ARG A 43 8.640 1.232 -20.368 1.00 0.00 H new ATOM 0 HB2 ARG A 43 8.122 2.055 -22.583 1.00 0.00 H new ATOM 0 HB3 ARG A 43 8.016 0.431 -23.235 1.00 0.00 H new ATOM 0 HG2 ARG A 43 5.833 0.272 -22.644 1.00 0.00 H new ATOM 0 HG3 ARG A 43 6.210 0.644 -20.973 1.00 0.00 H new ATOM 0 HD2 ARG A 43 4.641 2.322 -21.901 1.00 0.00 H new ATOM 0 HD3 ARG A 43 6.164 3.080 -21.478 1.00 0.00 H new ATOM 0 HE ARG A 43 6.537 2.363 -24.148 1.00 0.00 H new ATOM 0 HH11 ARG A 43 4.060 4.246 -22.393 1.00 0.00 H new ATOM 0 HH12 ARG A 43 3.694 5.277 -23.780 1.00 0.00 H new ATOM 0 HH21 ARG A 43 6.061 3.679 -25.905 1.00 0.00 H new ATOM 0 HH22 ARG A 43 4.839 4.949 -25.781 1.00 0.00 H new ATOM 673 N ALA A 44 7.648 -0.838 -19.470 1.00 0.00 N ATOM 674 CA ALA A 44 7.082 -2.043 -18.888 1.00 0.00 C ATOM 675 C ALA A 44 5.585 -1.831 -18.644 1.00 0.00 C ATOM 676 O ALA A 44 5.186 -1.371 -17.576 1.00 0.00 O ATOM 677 CB ALA A 44 7.837 -2.394 -17.605 1.00 0.00 C ATOM 0 H ALA A 44 7.653 -0.028 -18.851 1.00 0.00 H new ATOM 0 HA ALA A 44 7.190 -2.886 -19.570 1.00 0.00 H new ATOM 0 HB1 ALA A 44 7.412 -3.298 -17.169 1.00 0.00 H new ATOM 0 HB2 ALA A 44 8.889 -2.562 -17.836 1.00 0.00 H new ATOM 0 HB3 ALA A 44 7.749 -1.572 -16.895 1.00 0.00 H new ATOM 683 N ARG A 45 4.800 -2.179 -19.653 1.00 0.00 N ATOM 684 CA ARG A 45 3.357 -2.034 -19.562 1.00 0.00 C ATOM 685 C ARG A 45 2.791 -3.002 -18.520 1.00 0.00 C ATOM 686 O ARG A 45 2.748 -4.210 -18.748 1.00 0.00 O ATOM 687 CB ARG A 45 2.689 -2.302 -20.912 1.00 0.00 C ATOM 688 CG ARG A 45 1.199 -1.963 -20.864 1.00 0.00 C ATOM 689 CD ARG A 45 0.357 -3.110 -21.427 1.00 0.00 C ATOM 690 NE ARG A 45 0.971 -3.626 -22.670 1.00 0.00 N ATOM 691 CZ ARG A 45 0.365 -4.490 -23.512 1.00 0.00 C ATOM 692 NH1 ARG A 45 -0.880 -4.943 -23.249 1.00 0.00 N ATOM 693 NH2 ARG A 45 1.007 -4.886 -24.595 1.00 0.00 N ATOM 0 H ARG A 45 5.136 -2.561 -20.537 1.00 0.00 H new ATOM 0 HA ARG A 45 3.146 -1.007 -19.263 1.00 0.00 H new ATOM 0 HB2 ARG A 45 3.176 -1.709 -21.686 1.00 0.00 H new ATOM 0 HB3 ARG A 45 2.819 -3.350 -21.184 1.00 0.00 H new ATOM 0 HG2 ARG A 45 0.902 -1.760 -19.835 1.00 0.00 H new ATOM 0 HG3 ARG A 45 1.011 -1.054 -21.436 1.00 0.00 H new ATOM 0 HD2 ARG A 45 0.279 -3.910 -20.691 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -0.656 -2.763 -21.629 1.00 0.00 H new ATOM 0 HE ARG A 45 1.911 -3.309 -22.906 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -1.369 -4.632 -22.409 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -1.331 -5.596 -23.890 1.00 0.00 H new ATOM 0 HH21 ARG A 45 1.947 -4.540 -24.786 1.00 0.00 H new ATOM 0 HH22 ARG A 45 0.563 -5.538 -25.241 1.00 0.00 H new ATOM 706 N VAL A 46 2.370 -2.435 -17.399 1.00 0.00 N ATOM 707 CA VAL A 46 1.810 -3.231 -16.321 1.00 0.00 C ATOM 708 C VAL A 46 0.285 -3.250 -16.447 1.00 0.00 C ATOM 709 O VAL A 46 -0.368 -2.223 -16.275 1.00 0.00 O ATOM 710 CB VAL A 46 2.292 -2.699 -14.971 1.00 0.00 C ATOM 711 CG1 VAL A 46 2.282 -3.802 -13.910 1.00 0.00 C ATOM 712 CG2 VAL A 46 3.681 -2.069 -15.093 1.00 0.00 C ATOM 0 H VAL A 46 2.406 -1.433 -17.214 1.00 0.00 H new ATOM 0 HA VAL A 46 2.155 -4.263 -16.389 1.00 0.00 H new ATOM 0 HB VAL A 46 1.598 -1.921 -14.652 1.00 0.00 H new ATOM 0 HG11 VAL A 46 2.629 -3.396 -12.960 1.00 0.00 H new ATOM 0 HG12 VAL A 46 1.268 -4.184 -13.792 1.00 0.00 H new ATOM 0 HG13 VAL A 46 2.941 -4.612 -14.221 1.00 0.00 H new ATOM 0 HG21 VAL A 46 4.000 -1.699 -14.118 1.00 0.00 H new ATOM 0 HG22 VAL A 46 4.390 -2.817 -15.446 1.00 0.00 H new ATOM 0 HG23 VAL A 46 3.644 -1.241 -15.801 1.00 0.00 H new ATOM 722 N GLN A 47 -0.238 -4.430 -16.746 1.00 0.00 N ATOM 723 CA GLN A 47 -1.673 -4.596 -16.897 1.00 0.00 C ATOM 724 C GLN A 47 -2.237 -5.426 -15.742 1.00 0.00 C ATOM 725 O GLN A 47 -1.718 -6.498 -15.432 1.00 0.00 O ATOM 726 CB GLN A 47 -2.012 -5.233 -18.246 1.00 0.00 C ATOM 727 CG GLN A 47 -3.428 -5.814 -18.238 1.00 0.00 C ATOM 728 CD GLN A 47 -4.084 -5.677 -19.613 1.00 0.00 C ATOM 729 OE1 GLN A 47 -4.508 -6.643 -20.227 1.00 0.00 O ATOM 730 NE2 GLN A 47 -4.145 -4.426 -20.063 1.00 0.00 N ATOM 0 H GLN A 47 0.307 -5.281 -16.888 1.00 0.00 H new ATOM 0 HA GLN A 47 -2.137 -3.610 -16.870 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -1.926 -4.487 -19.036 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -1.293 -6.021 -18.471 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -3.392 -6.865 -17.951 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -4.032 -5.300 -17.490 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -3.771 -3.662 -19.499 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -4.565 -4.231 -20.972 1.00 0.00 H new ATOM 739 N GLN A 48 -3.290 -4.900 -15.136 1.00 0.00 N ATOM 740 CA GLN A 48 -3.930 -5.580 -14.022 1.00 0.00 C ATOM 741 C GLN A 48 -5.016 -6.528 -14.532 1.00 0.00 C ATOM 742 O GLN A 48 -5.934 -6.107 -15.234 1.00 0.00 O ATOM 743 CB GLN A 48 -4.505 -4.574 -13.023 1.00 0.00 C ATOM 744 CG GLN A 48 -4.775 -5.236 -11.671 1.00 0.00 C ATOM 745 CD GLN A 48 -5.669 -6.468 -11.832 1.00 0.00 C ATOM 746 OE1 GLN A 48 -5.316 -7.576 -11.464 1.00 0.00 O ATOM 747 NE2 GLN A 48 -6.844 -6.211 -12.399 1.00 0.00 N ATOM 0 H GLN A 48 -3.717 -4.010 -15.395 1.00 0.00 H new ATOM 0 HA GLN A 48 -3.176 -6.170 -13.500 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -3.808 -3.746 -12.894 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -5.430 -4.153 -13.417 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -3.831 -5.525 -11.209 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -5.252 -4.521 -11.001 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -7.076 -5.259 -12.684 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -7.514 -6.966 -12.549 1.00 0.00 H new ATOM 756 N ILE A 49 -4.877 -7.792 -14.159 1.00 0.00 N ATOM 757 CA ILE A 49 -5.834 -8.804 -14.570 1.00 0.00 C ATOM 758 C ILE A 49 -5.945 -9.870 -13.477 1.00 0.00 C ATOM 759 O ILE A 49 -5.090 -9.952 -12.597 1.00 0.00 O ATOM 760 CB ILE A 49 -5.462 -9.368 -15.942 1.00 0.00 C ATOM 761 CG1 ILE A 49 -4.120 -10.100 -15.889 1.00 0.00 C ATOM 762 CG2 ILE A 49 -5.474 -8.269 -17.008 1.00 0.00 C ATOM 763 CD1 ILE A 49 -2.953 -9.113 -15.963 1.00 0.00 C ATOM 0 H ILE A 49 -4.115 -8.138 -13.576 1.00 0.00 H new ATOM 0 HA ILE A 49 -6.824 -8.364 -14.689 1.00 0.00 H new ATOM 0 HB ILE A 49 -6.217 -10.101 -16.226 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -4.054 -10.679 -14.968 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -4.055 -10.808 -16.715 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -5.206 -8.696 -17.974 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -6.471 -7.832 -17.068 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -4.754 -7.495 -16.741 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -2.011 -9.660 -15.923 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -3.009 -8.553 -16.897 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -3.007 -8.422 -15.122 1.00 0.00 H new ATOM 775 N GLN A 50 -7.006 -10.659 -13.571 1.00 0.00 N ATOM 776 CA GLN A 50 -7.239 -11.715 -12.601 1.00 0.00 C ATOM 777 C GLN A 50 -6.659 -13.037 -13.106 1.00 0.00 C ATOM 778 O GLN A 50 -7.366 -13.836 -13.720 1.00 0.00 O ATOM 779 CB GLN A 50 -8.731 -11.855 -12.290 1.00 0.00 C ATOM 780 CG GLN A 50 -9.125 -10.988 -11.092 1.00 0.00 C ATOM 781 CD GLN A 50 -10.192 -9.965 -11.483 1.00 0.00 C ATOM 782 OE1 GLN A 50 -11.336 -10.032 -11.065 1.00 0.00 O ATOM 783 NE2 GLN A 50 -9.755 -9.015 -12.306 1.00 0.00 N ATOM 0 H GLN A 50 -7.713 -10.588 -14.303 1.00 0.00 H new ATOM 0 HA GLN A 50 -6.731 -11.448 -11.674 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -9.317 -11.564 -13.162 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -8.966 -12.899 -12.081 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -9.501 -11.621 -10.288 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -8.245 -10.472 -10.707 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -8.784 -9.018 -12.618 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -10.391 -8.284 -12.625 1.00 0.00 H new ATOM 792 N VAL A 51 -5.377 -13.229 -12.831 1.00 0.00 N ATOM 793 CA VAL A 51 -4.694 -14.440 -13.250 1.00 0.00 C ATOM 794 C VAL A 51 -3.923 -15.023 -12.063 1.00 0.00 C ATOM 795 O VAL A 51 -3.339 -14.282 -11.275 1.00 0.00 O ATOM 796 CB VAL A 51 -3.800 -14.146 -14.456 1.00 0.00 C ATOM 797 CG1 VAL A 51 -4.618 -13.582 -15.620 1.00 0.00 C ATOM 798 CG2 VAL A 51 -2.661 -13.198 -14.077 1.00 0.00 C ATOM 0 H VAL A 51 -4.793 -12.565 -12.322 1.00 0.00 H new ATOM 0 HA VAL A 51 -5.414 -15.192 -13.571 1.00 0.00 H new ATOM 0 HB VAL A 51 -3.357 -15.087 -14.782 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -3.959 -13.382 -16.465 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.377 -14.306 -15.916 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -5.102 -12.656 -15.310 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -2.041 -13.006 -14.953 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -3.076 -12.258 -13.713 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -2.053 -13.654 -13.295 1.00 0.00 H new ATOM 998 N SER A 65 15.706 -8.914 -17.778 1.00 0.00 N ATOM 999 CA SER A 65 16.719 -8.258 -16.968 1.00 0.00 C ATOM 1000 C SER A 65 16.579 -6.738 -17.084 1.00 0.00 C ATOM 1001 O SER A 65 17.540 -6.046 -17.415 1.00 0.00 O ATOM 1002 CB SER A 65 18.125 -8.694 -17.385 1.00 0.00 C ATOM 1003 OG SER A 65 18.650 -7.877 -18.428 1.00 0.00 O ATOM 0 HA SER A 65 16.569 -8.552 -15.929 1.00 0.00 H new ATOM 0 HB2 SER A 65 18.789 -8.651 -16.522 1.00 0.00 H new ATOM 0 HB3 SER A 65 18.099 -9.732 -17.716 1.00 0.00 H new ATOM 0 HG SER A 65 18.722 -6.951 -18.114 1.00 0.00 H new ATOM 1009 N GLN A 66 15.373 -6.265 -16.805 1.00 0.00 N ATOM 1010 CA GLN A 66 15.094 -4.840 -16.873 1.00 0.00 C ATOM 1011 C GLN A 66 14.192 -4.419 -15.711 1.00 0.00 C ATOM 1012 O GLN A 66 14.560 -3.557 -14.915 1.00 0.00 O ATOM 1013 CB GLN A 66 14.467 -4.468 -18.217 1.00 0.00 C ATOM 1014 CG GLN A 66 15.533 -4.007 -19.212 1.00 0.00 C ATOM 1015 CD GLN A 66 15.927 -5.141 -20.161 1.00 0.00 C ATOM 1016 OE1 GLN A 66 17.015 -5.688 -20.099 1.00 0.00 O ATOM 1017 NE2 GLN A 66 14.982 -5.463 -21.039 1.00 0.00 N ATOM 0 H GLN A 66 14.578 -6.843 -16.532 1.00 0.00 H new ATOM 0 HA GLN A 66 16.037 -4.301 -16.788 1.00 0.00 H new ATOM 0 HB2 GLN A 66 13.933 -5.327 -18.623 1.00 0.00 H new ATOM 0 HB3 GLN A 66 13.733 -3.676 -18.073 1.00 0.00 H new ATOM 0 HG2 GLN A 66 15.157 -3.161 -19.787 1.00 0.00 H new ATOM 0 HG3 GLN A 66 16.413 -3.658 -18.672 1.00 0.00 H new ATOM 0 HE21 GLN A 66 14.092 -4.964 -21.037 1.00 0.00 H new ATOM 0 HE22 GLN A 66 15.147 -6.209 -21.715 1.00 0.00 H new ATOM 1026 N LEU A 67 13.028 -5.049 -15.649 1.00 0.00 N ATOM 1027 CA LEU A 67 12.071 -4.752 -14.598 1.00 0.00 C ATOM 1028 C LEU A 67 12.659 -5.166 -13.247 1.00 0.00 C ATOM 1029 O LEU A 67 13.293 -6.213 -13.137 1.00 0.00 O ATOM 1030 CB LEU A 67 10.719 -5.400 -14.905 1.00 0.00 C ATOM 1031 CG LEU A 67 9.981 -4.862 -16.133 1.00 0.00 C ATOM 1032 CD1 LEU A 67 10.851 -4.971 -17.386 1.00 0.00 C ATOM 1033 CD2 LEU A 67 8.630 -5.559 -16.309 1.00 0.00 C ATOM 0 H LEU A 67 12.726 -5.764 -16.310 1.00 0.00 H new ATOM 0 HA LEU A 67 11.880 -3.680 -14.548 1.00 0.00 H new ATOM 0 HB2 LEU A 67 10.874 -6.471 -15.039 1.00 0.00 H new ATOM 0 HB3 LEU A 67 10.074 -5.277 -14.035 1.00 0.00 H new ATOM 0 HG LEU A 67 9.778 -3.803 -15.974 1.00 0.00 H new ATOM 0 HD11 LEU A 67 10.303 -4.582 -18.244 1.00 0.00 H new ATOM 0 HD12 LEU A 67 11.764 -4.393 -17.246 1.00 0.00 H new ATOM 0 HD13 LEU A 67 11.106 -6.016 -17.562 1.00 0.00 H new ATOM 0 HD21 LEU A 67 8.126 -5.159 -17.188 1.00 0.00 H new ATOM 0 HD22 LEU A 67 8.787 -6.630 -16.437 1.00 0.00 H new ATOM 0 HD23 LEU A 67 8.013 -5.386 -15.427 1.00 0.00 H new ATOM 1045 N PRO A 68 12.421 -4.298 -12.226 1.00 0.00 N ATOM 1046 CA PRO A 68 12.921 -4.563 -10.889 1.00 0.00 C ATOM 1047 C PRO A 68 12.097 -5.653 -10.201 1.00 0.00 C ATOM 1048 O PRO A 68 11.024 -6.020 -10.678 1.00 0.00 O ATOM 1049 CB PRO A 68 12.851 -3.224 -10.171 1.00 0.00 C ATOM 1050 CG PRO A 68 11.888 -2.369 -10.978 1.00 0.00 C ATOM 1051 CD PRO A 68 11.672 -3.049 -12.320 1.00 0.00 C ATOM 0 HA PRO A 68 13.941 -4.948 -10.890 1.00 0.00 H new ATOM 0 HB2 PRO A 68 12.499 -3.348 -9.147 1.00 0.00 H new ATOM 0 HB3 PRO A 68 13.835 -2.758 -10.116 1.00 0.00 H new ATOM 0 HG2 PRO A 68 10.941 -2.258 -10.449 1.00 0.00 H new ATOM 0 HG3 PRO A 68 12.293 -1.367 -11.119 1.00 0.00 H new ATOM 0 HD2 PRO A 68 10.614 -3.235 -12.504 1.00 0.00 H new ATOM 0 HD3 PRO A 68 12.035 -2.430 -13.141 1.00 0.00 H new ATOM 1059 N LEU A 69 12.629 -6.140 -9.089 1.00 0.00 N ATOM 1060 CA LEU A 69 11.956 -7.180 -8.330 1.00 0.00 C ATOM 1061 C LEU A 69 10.807 -6.561 -7.532 1.00 0.00 C ATOM 1062 O LEU A 69 10.020 -7.275 -6.913 1.00 0.00 O ATOM 1063 CB LEU A 69 12.959 -7.949 -7.468 1.00 0.00 C ATOM 1064 CG LEU A 69 12.753 -9.463 -7.388 1.00 0.00 C ATOM 1065 CD1 LEU A 69 11.454 -9.802 -6.655 1.00 0.00 C ATOM 1066 CD2 LEU A 69 12.808 -10.098 -8.779 1.00 0.00 C ATOM 0 H LEU A 69 13.519 -5.833 -8.696 1.00 0.00 H new ATOM 0 HA LEU A 69 11.517 -7.918 -9.002 1.00 0.00 H new ATOM 0 HB2 LEU A 69 13.960 -7.759 -7.854 1.00 0.00 H new ATOM 0 HB3 LEU A 69 12.925 -7.544 -6.457 1.00 0.00 H new ATOM 0 HG LEU A 69 13.571 -9.888 -6.807 1.00 0.00 H new ATOM 0 HD11 LEU A 69 11.332 -10.884 -6.612 1.00 0.00 H new ATOM 0 HD12 LEU A 69 11.492 -9.401 -5.642 1.00 0.00 H new ATOM 0 HD13 LEU A 69 10.610 -9.363 -7.187 1.00 0.00 H new ATOM 0 HD21 LEU A 69 12.659 -11.174 -8.694 1.00 0.00 H new ATOM 0 HD22 LEU A 69 12.024 -9.671 -9.405 1.00 0.00 H new ATOM 0 HD23 LEU A 69 13.780 -9.901 -9.231 1.00 0.00 H new ATOM 1078 N MET A 70 10.747 -5.237 -7.571 1.00 0.00 N ATOM 1079 CA MET A 70 9.708 -4.514 -6.860 1.00 0.00 C ATOM 1080 C MET A 70 9.717 -3.030 -7.235 1.00 0.00 C ATOM 1081 O MET A 70 10.778 -2.453 -7.471 1.00 0.00 O ATOM 1082 CB MET A 70 9.924 -4.661 -5.352 1.00 0.00 C ATOM 1083 CG MET A 70 8.969 -3.757 -4.570 1.00 0.00 C ATOM 1084 SD MET A 70 9.894 -2.529 -3.664 1.00 0.00 S ATOM 1085 CE MET A 70 11.059 -3.582 -2.816 1.00 0.00 C ATOM 0 H MET A 70 11.402 -4.647 -8.084 1.00 0.00 H new ATOM 0 HA MET A 70 8.742 -4.934 -7.141 1.00 0.00 H new ATOM 0 HB2 MET A 70 9.770 -5.699 -5.059 1.00 0.00 H new ATOM 0 HB3 MET A 70 10.955 -4.409 -5.103 1.00 0.00 H new ATOM 0 HG2 MET A 70 8.275 -3.269 -5.254 1.00 0.00 H new ATOM 0 HG3 MET A 70 8.371 -4.355 -3.882 1.00 0.00 H new ATOM 0 HE1 MET A 70 11.349 -3.118 -1.873 1.00 0.00 H new ATOM 0 HE2 MET A 70 10.598 -4.549 -2.618 1.00 0.00 H new ATOM 0 HE3 MET A 70 11.943 -3.722 -3.438 1.00 0.00 H new ATOM 1095 N TRP A 71 8.524 -2.455 -7.276 1.00 0.00 N ATOM 1096 CA TRP A 71 8.382 -1.050 -7.618 1.00 0.00 C ATOM 1097 C TRP A 71 7.905 -0.306 -6.369 1.00 0.00 C ATOM 1098 O TRP A 71 7.301 -0.904 -5.480 1.00 0.00 O ATOM 1099 CB TRP A 71 7.447 -0.869 -8.816 1.00 0.00 C ATOM 1100 CG TRP A 71 8.159 -0.891 -10.170 1.00 0.00 C ATOM 1101 CD1 TRP A 71 9.257 -0.217 -10.536 1.00 0.00 C ATOM 1102 CD2 TRP A 71 7.774 -1.658 -11.331 1.00 0.00 C ATOM 1103 NE1 TRP A 71 9.608 -0.491 -11.842 1.00 0.00 N ATOM 1104 CE2 TRP A 71 8.678 -1.396 -12.341 1.00 0.00 C ATOM 1105 CE3 TRP A 71 6.700 -2.544 -11.521 1.00 0.00 C ATOM 1106 CZ2 TRP A 71 8.597 -1.978 -13.611 1.00 0.00 C ATOM 1107 CZ3 TRP A 71 6.634 -3.118 -12.796 1.00 0.00 C ATOM 1108 CH2 TRP A 71 7.535 -2.864 -13.823 1.00 0.00 C ATOM 0 H TRP A 71 7.647 -2.937 -7.078 1.00 0.00 H new ATOM 0 HA TRP A 71 9.338 -0.630 -7.930 1.00 0.00 H new ATOM 0 HB2 TRP A 71 6.695 -1.658 -8.800 1.00 0.00 H new ATOM 0 HB3 TRP A 71 6.918 0.078 -8.711 1.00 0.00 H new ATOM 0 HD1 TRP A 71 9.800 0.457 -9.890 1.00 0.00 H new ATOM 0 HE1 TRP A 71 10.403 -0.101 -12.348 1.00 0.00 H new ATOM 0 HE3 TRP A 71 5.982 -2.765 -10.745 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 9.316 -1.755 -14.386 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 5.826 -3.807 -12.996 1.00 0.00 H new ATOM 0 HH2 TRP A 71 7.416 -3.348 -14.781 1.00 0.00 H new ATOM 1119 N GLN A 72 8.194 0.986 -6.343 1.00 0.00 N ATOM 1120 CA GLN A 72 7.802 1.818 -5.218 1.00 0.00 C ATOM 1121 C GLN A 72 7.225 3.144 -5.715 1.00 0.00 C ATOM 1122 O GLN A 72 7.970 4.043 -6.102 1.00 0.00 O ATOM 1123 CB GLN A 72 8.981 2.053 -4.272 1.00 0.00 C ATOM 1124 CG GLN A 72 8.494 2.387 -2.861 1.00 0.00 C ATOM 1125 CD GLN A 72 8.276 1.113 -2.041 1.00 0.00 C ATOM 1126 OE1 GLN A 72 7.098 0.531 -2.249 1.00 0.00 O flip ATOM 1127 NE2 GLN A 72 9.120 0.688 -1.270 1.00 0.00 N flip ATOM 0 H GLN A 72 8.695 1.478 -7.083 1.00 0.00 H new ATOM 0 HA GLN A 72 7.028 1.295 -4.657 1.00 0.00 H new ATOM 0 HB2 GLN A 72 9.611 1.164 -4.242 1.00 0.00 H new ATOM 0 HB3 GLN A 72 9.598 2.868 -4.650 1.00 0.00 H new ATOM 0 HG2 GLN A 72 9.224 3.025 -2.362 1.00 0.00 H new ATOM 0 HG3 GLN A 72 7.563 2.951 -2.918 1.00 0.00 H new ATOM 0 HE21 GLN A 72 10.004 1.184 -1.158 1.00 0.00 H new ATOM 0 HE22 GLN A 72 8.942 -0.164 -0.738 1.00 0.00 H new ATOM 1136 N LEU A 73 5.902 3.225 -5.688 1.00 0.00 N ATOM 1137 CA LEU A 73 5.217 4.428 -6.129 1.00 0.00 C ATOM 1138 C LEU A 73 5.814 5.642 -5.415 1.00 0.00 C ATOM 1139 O LEU A 73 5.826 5.701 -4.187 1.00 0.00 O ATOM 1140 CB LEU A 73 3.706 4.284 -5.938 1.00 0.00 C ATOM 1141 CG LEU A 73 2.882 5.561 -6.118 1.00 0.00 C ATOM 1142 CD1 LEU A 73 3.239 6.263 -7.430 1.00 0.00 C ATOM 1143 CD2 LEU A 73 1.385 5.267 -6.014 1.00 0.00 C ATOM 0 H LEU A 73 5.287 2.477 -5.368 1.00 0.00 H new ATOM 0 HA LEU A 73 5.367 4.581 -7.198 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.340 3.537 -6.643 1.00 0.00 H new ATOM 0 HB3 LEU A 73 3.522 3.895 -4.937 1.00 0.00 H new ATOM 0 HG LEU A 73 3.132 6.246 -5.308 1.00 0.00 H new ATOM 0 HD11 LEU A 73 2.639 7.167 -7.534 1.00 0.00 H new ATOM 0 HD12 LEU A 73 4.296 6.527 -7.425 1.00 0.00 H new ATOM 0 HD13 LEU A 73 3.036 5.595 -8.267 1.00 0.00 H new ATOM 0 HD21 LEU A 73 0.823 6.191 -6.146 1.00 0.00 H new ATOM 0 HD22 LEU A 73 1.099 4.555 -6.788 1.00 0.00 H new ATOM 0 HD23 LEU A 73 1.164 4.845 -5.034 1.00 0.00 H new ATOM 1155 N TYR A 74 6.296 6.581 -6.215 1.00 0.00 N ATOM 1156 CA TYR A 74 6.894 7.791 -5.676 1.00 0.00 C ATOM 1157 C TYR A 74 6.000 9.006 -5.931 1.00 0.00 C ATOM 1158 O TYR A 74 4.924 8.878 -6.512 1.00 0.00 O ATOM 1159 CB TYR A 74 8.215 7.979 -6.424 1.00 0.00 C ATOM 1160 CG TYR A 74 9.454 7.899 -5.530 1.00 0.00 C ATOM 1161 CD1 TYR A 74 9.498 6.991 -4.491 1.00 0.00 C ATOM 1162 CD2 TYR A 74 10.527 8.735 -5.761 1.00 0.00 C ATOM 1163 CE1 TYR A 74 10.663 6.916 -3.650 1.00 0.00 C ATOM 1164 CE2 TYR A 74 11.694 8.659 -4.919 1.00 0.00 C ATOM 1165 CZ TYR A 74 11.704 7.754 -3.906 1.00 0.00 C ATOM 1166 OH TYR A 74 12.805 7.682 -3.111 1.00 0.00 O ATOM 0 H TYR A 74 6.285 6.529 -7.234 1.00 0.00 H new ATOM 0 HA TYR A 74 7.033 7.702 -4.599 1.00 0.00 H new ATOM 0 HB2 TYR A 74 8.291 7.219 -7.202 1.00 0.00 H new ATOM 0 HB3 TYR A 74 8.203 8.947 -6.924 1.00 0.00 H new ATOM 0 HD1 TYR A 74 8.658 6.337 -4.309 1.00 0.00 H new ATOM 0 HD2 TYR A 74 10.492 9.446 -6.573 1.00 0.00 H new ATOM 0 HE1 TYR A 74 10.710 6.210 -2.834 1.00 0.00 H new ATOM 0 HE2 TYR A 74 12.541 9.307 -5.089 1.00 0.00 H new ATOM 0 HH TYR A 74 13.510 7.181 -3.573 1.00 0.00 H new ATOM 1176 N PRO A 75 6.490 10.187 -5.471 1.00 0.00 N ATOM 1177 CA PRO A 75 5.747 11.425 -5.644 1.00 0.00 C ATOM 1178 C PRO A 75 5.826 11.914 -7.091 1.00 0.00 C ATOM 1179 O PRO A 75 6.615 11.399 -7.882 1.00 0.00 O ATOM 1180 CB PRO A 75 6.367 12.397 -4.653 1.00 0.00 C ATOM 1181 CG PRO A 75 7.726 11.819 -4.296 1.00 0.00 C ATOM 1182 CD PRO A 75 7.761 10.378 -4.779 1.00 0.00 C ATOM 0 HA PRO A 75 4.681 11.307 -5.451 1.00 0.00 H new ATOM 0 HB2 PRO A 75 6.468 13.390 -5.091 1.00 0.00 H new ATOM 0 HB3 PRO A 75 5.742 12.502 -3.766 1.00 0.00 H new ATOM 0 HG2 PRO A 75 8.522 12.398 -4.764 1.00 0.00 H new ATOM 0 HG3 PRO A 75 7.889 11.865 -3.219 1.00 0.00 H new ATOM 0 HD2 PRO A 75 8.605 10.205 -5.447 1.00 0.00 H new ATOM 0 HD3 PRO A 75 7.866 9.684 -3.945 1.00 0.00 H new ATOM 1190 N GLU A 76 4.998 12.904 -7.394 1.00 0.00 N ATOM 1191 CA GLU A 76 4.964 13.469 -8.731 1.00 0.00 C ATOM 1192 C GLU A 76 4.129 12.585 -9.660 1.00 0.00 C ATOM 1193 O GLU A 76 2.978 12.902 -9.955 1.00 0.00 O ATOM 1194 CB GLU A 76 6.379 13.661 -9.282 1.00 0.00 C ATOM 1195 CG GLU A 76 6.579 15.088 -9.793 1.00 0.00 C ATOM 1196 CD GLU A 76 7.719 15.151 -10.812 1.00 0.00 C ATOM 1197 OE1 GLU A 76 8.872 14.845 -10.474 1.00 0.00 O ATOM 1198 OE2 GLU A 76 7.371 15.532 -11.996 1.00 0.00 O ATOM 0 H GLU A 76 4.345 13.329 -6.735 1.00 0.00 H new ATOM 0 HA GLU A 76 4.494 14.451 -8.677 1.00 0.00 H new ATOM 0 HB2 GLU A 76 7.109 13.444 -8.502 1.00 0.00 H new ATOM 0 HB3 GLU A 76 6.557 12.953 -10.091 1.00 0.00 H new ATOM 0 HG2 GLU A 76 5.657 15.447 -10.251 1.00 0.00 H new ATOM 0 HG3 GLU A 76 6.798 15.751 -8.956 1.00 0.00 H new ATOM 1206 N GLU A 77 4.742 11.493 -10.094 1.00 0.00 N ATOM 1207 CA GLU A 77 4.070 10.561 -10.982 1.00 0.00 C ATOM 1208 C GLU A 77 5.077 9.576 -11.579 1.00 0.00 C ATOM 1209 O GLU A 77 5.152 9.419 -12.797 1.00 0.00 O ATOM 1210 CB GLU A 77 3.312 11.304 -12.085 1.00 0.00 C ATOM 1211 CG GLU A 77 2.828 10.335 -13.166 1.00 0.00 C ATOM 1212 CD GLU A 77 1.392 10.656 -13.587 1.00 0.00 C ATOM 1213 OE1 GLU A 77 0.441 10.269 -12.891 1.00 0.00 O ATOM 1214 OE2 GLU A 77 1.282 11.335 -14.678 1.00 0.00 O ATOM 0 H GLU A 77 5.697 11.233 -9.847 1.00 0.00 H new ATOM 0 HA GLU A 77 3.341 9.998 -10.400 1.00 0.00 H new ATOM 0 HB2 GLU A 77 2.460 11.830 -11.655 1.00 0.00 H new ATOM 0 HB3 GLU A 77 3.960 12.059 -12.531 1.00 0.00 H new ATOM 0 HG2 GLU A 77 3.486 10.393 -14.033 1.00 0.00 H new ATOM 0 HG3 GLU A 77 2.881 9.312 -12.793 1.00 0.00 H new ATOM 1222 N ARG A 78 5.826 8.936 -10.692 1.00 0.00 N ATOM 1223 CA ARG A 78 6.825 7.969 -11.115 1.00 0.00 C ATOM 1224 C ARG A 78 6.968 6.862 -10.069 1.00 0.00 C ATOM 1225 O ARG A 78 6.579 7.039 -8.916 1.00 0.00 O ATOM 1226 CB ARG A 78 8.183 8.638 -11.329 1.00 0.00 C ATOM 1227 CG ARG A 78 8.021 10.022 -11.958 1.00 0.00 C ATOM 1228 CD ARG A 78 9.336 10.801 -11.920 1.00 0.00 C ATOM 1229 NE ARG A 78 9.245 11.993 -12.793 1.00 0.00 N ATOM 1230 CZ ARG A 78 10.288 12.800 -13.083 1.00 0.00 C ATOM 1231 NH1 ARG A 78 11.512 12.550 -12.571 1.00 0.00 N ATOM 1232 NH2 ARG A 78 10.093 13.838 -13.875 1.00 0.00 N ATOM 0 H ARG A 78 5.761 9.068 -9.683 1.00 0.00 H new ATOM 0 HA ARG A 78 6.492 7.540 -12.060 1.00 0.00 H new ATOM 0 HB2 ARG A 78 8.702 8.727 -10.375 1.00 0.00 H new ATOM 0 HB3 ARG A 78 8.803 8.013 -11.972 1.00 0.00 H new ATOM 0 HG2 ARG A 78 7.685 9.919 -12.990 1.00 0.00 H new ATOM 0 HG3 ARG A 78 7.249 10.579 -11.426 1.00 0.00 H new ATOM 0 HD2 ARG A 78 9.558 11.105 -10.897 1.00 0.00 H new ATOM 0 HD3 ARG A 78 10.156 10.162 -12.248 1.00 0.00 H new ATOM 0 HE ARG A 78 8.338 12.219 -13.201 1.00 0.00 H new ATOM 0 HH11 ARG A 78 11.655 11.746 -11.960 1.00 0.00 H new ATOM 0 HH12 ARG A 78 12.294 13.165 -12.796 1.00 0.00 H new ATOM 0 HH21 ARG A 78 9.165 14.020 -14.258 1.00 0.00 H new ATOM 0 HH22 ARG A 78 10.870 14.458 -14.104 1.00 0.00 H new ATOM 1245 N TYR A 79 7.525 5.744 -10.510 1.00 0.00 N ATOM 1246 CA TYR A 79 7.724 4.607 -9.626 1.00 0.00 C ATOM 1247 C TYR A 79 9.214 4.358 -9.381 1.00 0.00 C ATOM 1248 O TYR A 79 10.002 4.307 -10.323 1.00 0.00 O ATOM 1249 CB TYR A 79 7.129 3.399 -10.352 1.00 0.00 C ATOM 1250 CG TYR A 79 5.675 3.104 -9.980 1.00 0.00 C ATOM 1251 CD1 TYR A 79 4.810 4.143 -9.700 1.00 0.00 C ATOM 1252 CD2 TYR A 79 5.227 1.800 -9.925 1.00 0.00 C ATOM 1253 CE1 TYR A 79 3.441 3.864 -9.350 1.00 0.00 C ATOM 1254 CE2 TYR A 79 3.858 1.522 -9.576 1.00 0.00 C ATOM 1255 CZ TYR A 79 3.033 2.569 -9.306 1.00 0.00 C ATOM 1256 OH TYR A 79 1.739 2.306 -8.976 1.00 0.00 O ATOM 0 H TYR A 79 7.845 5.601 -11.468 1.00 0.00 H new ATOM 0 HA TYR A 79 7.254 4.786 -8.659 1.00 0.00 H new ATOM 0 HB2 TYR A 79 7.191 3.567 -11.427 1.00 0.00 H new ATOM 0 HB3 TYR A 79 7.735 2.520 -10.131 1.00 0.00 H new ATOM 0 HD1 TYR A 79 5.160 5.164 -9.743 1.00 0.00 H new ATOM 0 HD2 TYR A 79 5.904 0.987 -10.144 1.00 0.00 H new ATOM 0 HE1 TYR A 79 2.754 4.667 -9.127 1.00 0.00 H new ATOM 0 HE2 TYR A 79 3.495 0.506 -9.530 1.00 0.00 H new ATOM 0 HH TYR A 79 1.677 1.410 -8.585 1.00 0.00 H new ATOM 1266 N MET A 80 9.554 4.208 -8.109 1.00 0.00 N ATOM 1267 CA MET A 80 10.935 3.963 -7.728 1.00 0.00 C ATOM 1268 C MET A 80 11.158 2.486 -7.397 1.00 0.00 C ATOM 1269 O MET A 80 10.467 1.925 -6.548 1.00 0.00 O ATOM 1270 CB MET A 80 11.288 4.819 -6.510 1.00 0.00 C ATOM 1271 CG MET A 80 12.762 4.656 -6.132 1.00 0.00 C ATOM 1272 SD MET A 80 13.472 6.245 -5.741 1.00 0.00 S ATOM 1273 CE MET A 80 14.783 6.305 -6.950 1.00 0.00 C ATOM 0 H MET A 80 8.897 4.251 -7.330 1.00 0.00 H new ATOM 0 HA MET A 80 11.577 4.229 -8.568 1.00 0.00 H new ATOM 0 HB2 MET A 80 11.078 5.867 -6.725 1.00 0.00 H new ATOM 0 HB3 MET A 80 10.659 4.534 -5.667 1.00 0.00 H new ATOM 0 HG2 MET A 80 12.855 3.987 -5.277 1.00 0.00 H new ATOM 0 HG3 MET A 80 13.309 4.197 -6.956 1.00 0.00 H new ATOM 0 HE1 MET A 80 15.012 7.344 -7.187 1.00 0.00 H new ATOM 0 HE2 MET A 80 15.672 5.820 -6.547 1.00 0.00 H new ATOM 0 HE3 MET A 80 14.467 5.788 -7.856 1.00 0.00 H new ATOM 1283 N ASP A 81 12.128 1.899 -8.083 1.00 0.00 N ATOM 1284 CA ASP A 81 12.453 0.499 -7.871 1.00 0.00 C ATOM 1285 C ASP A 81 13.328 0.366 -6.623 1.00 0.00 C ATOM 1286 O ASP A 81 13.574 1.348 -5.925 1.00 0.00 O ATOM 1287 CB ASP A 81 13.231 -0.072 -9.057 1.00 0.00 C ATOM 1288 CG ASP A 81 14.687 0.387 -9.157 1.00 0.00 C ATOM 1289 OD1 ASP A 81 15.198 1.087 -8.271 1.00 0.00 O ATOM 1290 OD2 ASP A 81 15.313 -0.010 -10.213 1.00 0.00 O ATOM 0 H ASP A 81 12.699 2.368 -8.786 1.00 0.00 H new ATOM 0 HA ASP A 81 11.518 -0.050 -7.756 1.00 0.00 H new ATOM 0 HB2 ASP A 81 13.212 -1.160 -8.994 1.00 0.00 H new ATOM 0 HB3 ASP A 81 12.715 0.203 -9.977 1.00 0.00 H new ATOM 1296 N ASN A 82 13.777 -0.857 -6.381 1.00 0.00 N ATOM 1297 CA ASN A 82 14.620 -1.131 -5.230 1.00 0.00 C ATOM 1298 C ASN A 82 16.027 -1.493 -5.709 1.00 0.00 C ATOM 1299 O ASN A 82 16.897 -1.816 -4.901 1.00 0.00 O ATOM 1300 CB ASN A 82 14.079 -2.310 -4.420 1.00 0.00 C ATOM 1301 CG ASN A 82 13.948 -1.944 -2.939 1.00 0.00 C ATOM 1302 OD1 ASN A 82 12.929 -1.453 -2.483 1.00 0.00 O ATOM 1303 ND2 ASN A 82 15.033 -2.210 -2.218 1.00 0.00 N ATOM 0 H ASN A 82 13.573 -1.669 -6.963 1.00 0.00 H new ATOM 0 HA ASN A 82 14.636 -0.239 -4.603 1.00 0.00 H new ATOM 0 HB2 ASN A 82 13.107 -2.609 -4.812 1.00 0.00 H new ATOM 0 HB3 ASN A 82 14.744 -3.167 -4.529 1.00 0.00 H new ATOM 0 HD21 ASN A 82 15.045 -2.002 -1.219 1.00 0.00 H new ATOM 0 HD22 ASN A 82 15.853 -2.622 -2.663 1.00 0.00 H new ATOM 1310 N ASN A 83 16.208 -1.426 -7.020 1.00 0.00 N ATOM 1311 CA ASN A 83 17.494 -1.743 -7.615 1.00 0.00 C ATOM 1312 C ASN A 83 18.382 -0.497 -7.593 1.00 0.00 C ATOM 1313 O ASN A 83 19.535 -0.560 -7.167 1.00 0.00 O ATOM 1314 CB ASN A 83 17.333 -2.182 -9.072 1.00 0.00 C ATOM 1315 CG ASN A 83 18.437 -3.163 -9.473 1.00 0.00 C ATOM 1316 OD1 ASN A 83 18.766 -4.095 -8.758 1.00 0.00 O ATOM 1317 ND2 ASN A 83 18.988 -2.904 -10.655 1.00 0.00 N ATOM 0 H ASN A 83 15.485 -1.157 -7.687 1.00 0.00 H new ATOM 0 HA ASN A 83 17.941 -2.554 -7.040 1.00 0.00 H new ATOM 0 HB2 ASN A 83 16.358 -2.650 -9.209 1.00 0.00 H new ATOM 0 HB3 ASN A 83 17.362 -1.309 -9.724 1.00 0.00 H new ATOM 0 HD21 ASN A 83 19.733 -3.502 -11.013 1.00 0.00 H new ATOM 0 HD22 ASN A 83 18.666 -2.107 -11.204 1.00 0.00 H new ATOM 1324 N SER A 84 17.812 0.605 -8.056 1.00 0.00 N ATOM 1325 CA SER A 84 18.538 1.864 -8.094 1.00 0.00 C ATOM 1326 C SER A 84 18.166 2.644 -9.356 1.00 0.00 C ATOM 1327 O SER A 84 19.031 3.227 -10.008 1.00 0.00 O ATOM 1328 CB SER A 84 20.048 1.631 -8.040 1.00 0.00 C ATOM 1329 OG SER A 84 20.781 2.770 -8.482 1.00 0.00 O ATOM 0 H SER A 84 16.856 0.653 -8.408 1.00 0.00 H new ATOM 0 HA SER A 84 18.257 2.448 -7.217 1.00 0.00 H new ATOM 0 HB2 SER A 84 20.340 1.386 -7.019 1.00 0.00 H new ATOM 0 HB3 SER A 84 20.304 0.772 -8.660 1.00 0.00 H new ATOM 0 HG SER A 84 20.520 2.991 -9.400 1.00 0.00 H new ATOM 1335 N ARG A 85 16.877 2.632 -9.664 1.00 0.00 N ATOM 1336 CA ARG A 85 16.379 3.330 -10.837 1.00 0.00 C ATOM 1337 C ARG A 85 14.962 3.848 -10.585 1.00 0.00 C ATOM 1338 O ARG A 85 14.247 3.321 -9.734 1.00 0.00 O ATOM 1339 CB ARG A 85 16.371 2.414 -12.061 1.00 0.00 C ATOM 1340 CG ARG A 85 17.793 2.002 -12.448 1.00 0.00 C ATOM 1341 CD ARG A 85 17.775 0.922 -13.532 1.00 0.00 C ATOM 1342 NE ARG A 85 18.948 0.031 -13.378 1.00 0.00 N ATOM 1343 CZ ARG A 85 19.476 -0.704 -14.379 1.00 0.00 C ATOM 1344 NH1 ARG A 85 18.942 -0.659 -15.617 1.00 0.00 N ATOM 1345 NH2 ARG A 85 20.525 -1.466 -14.129 1.00 0.00 N ATOM 0 H ARG A 85 16.162 2.149 -9.120 1.00 0.00 H new ATOM 0 HA ARG A 85 17.046 4.170 -11.031 1.00 0.00 H new ATOM 0 HB2 ARG A 85 15.776 1.525 -11.851 1.00 0.00 H new ATOM 0 HB3 ARG A 85 15.896 2.925 -12.899 1.00 0.00 H new ATOM 0 HG2 ARG A 85 18.343 2.872 -12.806 1.00 0.00 H new ATOM 0 HG3 ARG A 85 18.320 1.631 -11.569 1.00 0.00 H new ATOM 0 HD2 ARG A 85 16.855 0.341 -13.463 1.00 0.00 H new ATOM 0 HD3 ARG A 85 17.787 1.385 -14.519 1.00 0.00 H new ATOM 0 HE ARG A 85 19.384 -0.031 -12.458 1.00 0.00 H new ATOM 0 HH11 ARG A 85 18.133 -0.066 -15.802 1.00 0.00 H new ATOM 0 HH12 ARG A 85 19.347 -1.218 -16.368 1.00 0.00 H new ATOM 0 HH21 ARG A 85 20.924 -1.493 -13.191 1.00 0.00 H new ATOM 0 HH22 ARG A 85 20.936 -2.028 -14.874 1.00 0.00 H new ATOM 1358 N LEU A 86 14.598 4.872 -11.342 1.00 0.00 N ATOM 1359 CA LEU A 86 13.277 5.466 -11.212 1.00 0.00 C ATOM 1360 C LEU A 86 12.539 5.354 -12.547 1.00 0.00 C ATOM 1361 O LEU A 86 12.998 5.881 -13.560 1.00 0.00 O ATOM 1362 CB LEU A 86 13.383 6.898 -10.686 1.00 0.00 C ATOM 1363 CG LEU A 86 12.118 7.474 -10.047 1.00 0.00 C ATOM 1364 CD1 LEU A 86 10.987 7.581 -11.072 1.00 0.00 C ATOM 1365 CD2 LEU A 86 11.704 6.661 -8.819 1.00 0.00 C ATOM 0 H LEU A 86 15.194 5.306 -12.047 1.00 0.00 H new ATOM 0 HA LEU A 86 12.686 4.923 -10.474 1.00 0.00 H new ATOM 0 HB2 LEU A 86 14.187 6.935 -9.951 1.00 0.00 H new ATOM 0 HB3 LEU A 86 13.676 7.546 -11.512 1.00 0.00 H new ATOM 0 HG LEU A 86 12.339 8.485 -9.703 1.00 0.00 H new ATOM 0 HD11 LEU A 86 10.099 7.993 -10.592 1.00 0.00 H new ATOM 0 HD12 LEU A 86 11.296 8.235 -11.887 1.00 0.00 H new ATOM 0 HD13 LEU A 86 10.759 6.591 -11.467 1.00 0.00 H new ATOM 0 HD21 LEU A 86 10.802 7.092 -8.384 1.00 0.00 H new ATOM 0 HD22 LEU A 86 11.507 5.630 -9.114 1.00 0.00 H new ATOM 0 HD23 LEU A 86 12.507 6.680 -8.082 1.00 0.00 H new ATOM 1377 N TRP A 87 11.409 4.665 -12.507 1.00 0.00 N ATOM 1378 CA TRP A 87 10.603 4.477 -13.701 1.00 0.00 C ATOM 1379 C TRP A 87 9.541 5.577 -13.734 1.00 0.00 C ATOM 1380 O TRP A 87 8.952 5.907 -12.705 1.00 0.00 O ATOM 1381 CB TRP A 87 10.007 3.068 -13.744 1.00 0.00 C ATOM 1382 CG TRP A 87 11.050 1.949 -13.723 1.00 0.00 C ATOM 1383 CD1 TRP A 87 12.102 1.817 -12.903 1.00 0.00 C ATOM 1384 CD2 TRP A 87 11.099 0.803 -14.598 1.00 0.00 C ATOM 1385 NE1 TRP A 87 12.823 0.675 -13.185 1.00 0.00 N ATOM 1386 CE2 TRP A 87 12.194 0.039 -14.249 1.00 0.00 C ATOM 1387 CE3 TRP A 87 10.247 0.425 -15.651 1.00 0.00 C ATOM 1388 CZ2 TRP A 87 12.537 -1.152 -14.901 1.00 0.00 C ATOM 1389 CZ3 TRP A 87 10.604 -0.767 -16.293 1.00 0.00 C ATOM 1390 CH2 TRP A 87 11.703 -1.548 -15.953 1.00 0.00 C ATOM 0 H TRP A 87 11.032 4.229 -11.665 1.00 0.00 H new ATOM 0 HA TRP A 87 11.217 4.561 -14.598 1.00 0.00 H new ATOM 0 HB2 TRP A 87 9.337 2.942 -12.893 1.00 0.00 H new ATOM 0 HB3 TRP A 87 9.401 2.969 -14.644 1.00 0.00 H new ATOM 0 HD1 TRP A 87 12.354 2.517 -12.120 1.00 0.00 H new ATOM 0 HE1 TRP A 87 13.663 0.356 -12.702 1.00 0.00 H new ATOM 0 HE3 TRP A 87 9.386 1.008 -15.941 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 13.399 -1.734 -14.608 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 9.982 -1.103 -17.109 1.00 0.00 H new ATOM 0 HH2 TRP A 87 11.912 -2.456 -16.498 1.00 0.00 H new ATOM 1401 N GLN A 88 9.328 6.115 -14.926 1.00 0.00 N ATOM 1402 CA GLN A 88 8.347 7.171 -15.105 1.00 0.00 C ATOM 1403 C GLN A 88 7.011 6.584 -15.565 1.00 0.00 C ATOM 1404 O GLN A 88 6.946 5.911 -16.594 1.00 0.00 O ATOM 1405 CB GLN A 88 8.852 8.225 -16.093 1.00 0.00 C ATOM 1406 CG GLN A 88 7.695 9.073 -16.628 1.00 0.00 C ATOM 1407 CD GLN A 88 8.105 10.542 -16.753 1.00 0.00 C ATOM 1408 OE1 GLN A 88 9.273 10.880 -16.860 1.00 0.00 O ATOM 1409 NE2 GLN A 88 7.083 11.393 -16.737 1.00 0.00 N ATOM 0 H GLN A 88 9.818 5.839 -15.777 1.00 0.00 H new ATOM 0 HA GLN A 88 8.193 7.663 -14.145 1.00 0.00 H new ATOM 0 HB2 GLN A 88 9.583 8.868 -15.603 1.00 0.00 H new ATOM 0 HB3 GLN A 88 9.363 7.736 -16.922 1.00 0.00 H new ATOM 0 HG2 GLN A 88 7.382 8.695 -17.601 1.00 0.00 H new ATOM 0 HG3 GLN A 88 6.837 8.986 -15.961 1.00 0.00 H new ATOM 0 HE21 GLN A 88 6.129 11.043 -16.645 1.00 0.00 H new ATOM 0 HE22 GLN A 88 7.253 12.396 -16.817 1.00 0.00 H new ATOM 1418 N ILE A 89 5.979 6.858 -14.782 1.00 0.00 N ATOM 1419 CA ILE A 89 4.649 6.365 -15.096 1.00 0.00 C ATOM 1420 C ILE A 89 4.178 6.984 -16.414 1.00 0.00 C ATOM 1421 O ILE A 89 3.619 8.080 -16.425 1.00 0.00 O ATOM 1422 CB ILE A 89 3.695 6.612 -13.926 1.00 0.00 C ATOM 1423 CG1 ILE A 89 4.190 5.913 -12.658 1.00 0.00 C ATOM 1424 CG2 ILE A 89 2.266 6.201 -14.286 1.00 0.00 C ATOM 1425 CD1 ILE A 89 3.845 4.423 -12.682 1.00 0.00 C ATOM 0 H ILE A 89 6.037 7.416 -13.930 1.00 0.00 H new ATOM 0 HA ILE A 89 4.668 5.285 -15.239 1.00 0.00 H new ATOM 0 HB ILE A 89 3.679 7.682 -13.719 1.00 0.00 H new ATOM 0 HG12 ILE A 89 5.269 6.038 -12.567 1.00 0.00 H new ATOM 0 HG13 ILE A 89 3.740 6.380 -11.782 1.00 0.00 H new ATOM 0 HG21 ILE A 89 1.609 6.387 -13.437 1.00 0.00 H new ATOM 0 HG22 ILE A 89 1.925 6.782 -15.143 1.00 0.00 H new ATOM 0 HG23 ILE A 89 2.244 5.140 -14.536 1.00 0.00 H new ATOM 0 HD11 ILE A 89 4.208 3.951 -11.769 1.00 0.00 H new ATOM 0 HD12 ILE A 89 2.764 4.301 -12.748 1.00 0.00 H new ATOM 0 HD13 ILE A 89 4.317 3.954 -13.546 1.00 0.00 H new ATOM 1437 N GLN A 90 4.423 6.256 -17.494 1.00 0.00 N ATOM 1438 CA GLN A 90 4.031 6.721 -18.813 1.00 0.00 C ATOM 1439 C GLN A 90 2.547 7.094 -18.826 1.00 0.00 C ATOM 1440 O GLN A 90 2.171 8.139 -19.354 1.00 0.00 O ATOM 1441 CB GLN A 90 4.341 5.667 -19.879 1.00 0.00 C ATOM 1442 CG GLN A 90 5.412 6.168 -20.850 1.00 0.00 C ATOM 1443 CD GLN A 90 4.867 7.291 -21.736 1.00 0.00 C ATOM 1444 OE1 GLN A 90 4.259 8.242 -21.272 1.00 0.00 O ATOM 1445 NE2 GLN A 90 5.118 7.128 -23.032 1.00 0.00 N ATOM 0 H GLN A 90 4.888 5.348 -17.482 1.00 0.00 H new ATOM 0 HA GLN A 90 4.611 7.613 -19.050 1.00 0.00 H new ATOM 0 HB2 GLN A 90 4.680 4.749 -19.400 1.00 0.00 H new ATOM 0 HB3 GLN A 90 3.432 5.422 -20.429 1.00 0.00 H new ATOM 0 HG2 GLN A 90 6.275 6.528 -20.291 1.00 0.00 H new ATOM 0 HG3 GLN A 90 5.757 5.343 -21.473 1.00 0.00 H new ATOM 0 HE21 GLN A 90 5.633 6.308 -23.353 1.00 0.00 H new ATOM 0 HE22 GLN A 90 4.796 7.823 -23.705 1.00 0.00 H new ATOM 1454 N HIS A 91 1.745 6.218 -18.240 1.00 0.00 N ATOM 1455 CA HIS A 91 0.311 6.443 -18.177 1.00 0.00 C ATOM 1456 C HIS A 91 -0.337 5.386 -17.281 1.00 0.00 C ATOM 1457 O HIS A 91 0.125 4.246 -17.227 1.00 0.00 O ATOM 1458 CB HIS A 91 -0.295 6.481 -19.582 1.00 0.00 C ATOM 1459 CG HIS A 91 -0.804 5.145 -20.068 1.00 0.00 C ATOM 1460 ND1 HIS A 91 -1.567 4.201 -19.445 1.00 0.00 N flip ATOM 1461 CD2 HIS A 91 -0.533 4.655 -21.334 1.00 0.00 C flip ATOM 1462 CE1 HIS A 91 -1.754 3.192 -20.286 1.00 0.00 C flip ATOM 1463 NE2 HIS A 91 -1.114 3.471 -21.457 1.00 0.00 N flip ATOM 0 H HIS A 91 2.061 5.351 -17.805 1.00 0.00 H new ATOM 0 HA HIS A 91 0.112 7.418 -17.731 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -1.117 7.197 -19.593 1.00 0.00 H new ATOM 0 HB3 HIS A 91 0.457 6.848 -20.281 1.00 0.00 H new ATOM 0 HD2 HIS A 91 0.053 5.153 -22.092 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -2.320 2.296 -20.077 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -1.087 2.873 -22.283 1.00 0.00 H new ATOM 1471 N HIS A 92 -1.395 5.799 -16.601 1.00 0.00 N ATOM 1472 CA HIS A 92 -2.111 4.901 -15.711 1.00 0.00 C ATOM 1473 C HIS A 92 -3.614 5.166 -15.813 1.00 0.00 C ATOM 1474 O HIS A 92 -4.089 6.226 -15.411 1.00 0.00 O ATOM 1475 CB HIS A 92 -1.584 5.022 -14.279 1.00 0.00 C ATOM 1476 CG HIS A 92 -2.337 4.183 -13.274 1.00 0.00 C ATOM 1477 ND1 HIS A 92 -2.519 2.834 -13.199 1.00 0.00 N flip ATOM 1478 CD2 HIS A 92 -3.007 4.729 -12.194 1.00 0.00 C flip ATOM 1479 CE1 HIS A 92 -3.260 2.570 -12.129 1.00 0.00 C flip ATOM 1480 NE2 HIS A 92 -3.563 3.743 -11.504 1.00 0.00 N flip ATOM 0 H HIS A 92 -1.775 6.745 -16.648 1.00 0.00 H new ATOM 0 HA HIS A 92 -1.938 3.869 -16.015 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -0.533 4.733 -14.264 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -1.631 6.067 -13.973 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -3.067 5.780 -11.954 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -3.571 1.587 -11.807 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -4.119 3.844 -10.655 1.00 0.00 H new ATOM 1488 N LEU A 93 -4.319 4.184 -16.356 1.00 0.00 N ATOM 1489 CA LEU A 93 -5.758 4.298 -16.517 1.00 0.00 C ATOM 1490 C LEU A 93 -6.379 2.900 -16.521 1.00 0.00 C ATOM 1491 O LEU A 93 -5.699 1.914 -16.239 1.00 0.00 O ATOM 1492 CB LEU A 93 -6.094 5.123 -17.760 1.00 0.00 C ATOM 1493 CG LEU A 93 -5.158 4.944 -18.957 1.00 0.00 C ATOM 1494 CD1 LEU A 93 -3.989 5.930 -18.890 1.00 0.00 C ATOM 1495 CD2 LEU A 93 -4.681 3.495 -19.069 1.00 0.00 C ATOM 0 H LEU A 93 -3.920 3.306 -16.690 1.00 0.00 H new ATOM 0 HA LEU A 93 -6.194 4.838 -15.676 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -7.107 4.872 -18.075 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -6.098 6.177 -17.482 1.00 0.00 H new ATOM 0 HG LEU A 93 -5.717 5.169 -19.865 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -3.338 5.782 -19.752 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -4.373 6.950 -18.896 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -3.422 5.761 -17.975 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -4.017 3.396 -19.928 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -4.144 3.217 -18.162 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -5.541 2.838 -19.197 1.00 0.00 H new ATOM 1507 N MET A 94 -7.664 2.857 -16.842 1.00 0.00 N ATOM 1508 CA MET A 94 -8.384 1.596 -16.885 1.00 0.00 C ATOM 1509 C MET A 94 -8.955 1.338 -18.282 1.00 0.00 C ATOM 1510 O MET A 94 -9.723 2.147 -18.801 1.00 0.00 O ATOM 1511 CB MET A 94 -9.523 1.623 -15.864 1.00 0.00 C ATOM 1512 CG MET A 94 -10.598 0.592 -16.215 1.00 0.00 C ATOM 1513 SD MET A 94 -11.265 -0.125 -14.723 1.00 0.00 S ATOM 1514 CE MET A 94 -10.094 -1.447 -14.462 1.00 0.00 C ATOM 0 H MET A 94 -8.225 3.676 -17.075 1.00 0.00 H new ATOM 0 HA MET A 94 -7.688 0.793 -16.644 1.00 0.00 H new ATOM 0 HB2 MET A 94 -9.129 1.418 -14.869 1.00 0.00 H new ATOM 0 HB3 MET A 94 -9.965 2.619 -15.833 1.00 0.00 H new ATOM 0 HG2 MET A 94 -11.395 1.066 -16.788 1.00 0.00 H new ATOM 0 HG3 MET A 94 -10.173 -0.189 -16.845 1.00 0.00 H new ATOM 0 HE1 MET A 94 -9.722 -1.406 -13.438 1.00 0.00 H new ATOM 0 HE2 MET A 94 -10.584 -2.406 -14.632 1.00 0.00 H new ATOM 0 HE3 MET A 94 -9.261 -1.337 -15.156 1.00 0.00 H new ATOM 1524 N VAL A 95 -8.558 0.209 -18.849 1.00 0.00 N ATOM 1525 CA VAL A 95 -9.022 -0.166 -20.174 1.00 0.00 C ATOM 1526 C VAL A 95 -9.667 -1.551 -20.111 1.00 0.00 C ATOM 1527 O VAL A 95 -9.112 -2.472 -19.513 1.00 0.00 O ATOM 1528 CB VAL A 95 -7.866 -0.090 -21.174 1.00 0.00 C ATOM 1529 CG1 VAL A 95 -8.201 -0.851 -22.458 1.00 0.00 C ATOM 1530 CG2 VAL A 95 -7.499 1.364 -21.479 1.00 0.00 C ATOM 0 H VAL A 95 -7.920 -0.459 -18.415 1.00 0.00 H new ATOM 0 HA VAL A 95 -9.783 0.531 -20.523 1.00 0.00 H new ATOM 0 HB VAL A 95 -6.998 -0.566 -20.719 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -7.363 -0.781 -23.152 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -8.390 -1.898 -22.222 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -9.089 -0.417 -22.917 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -6.675 1.389 -22.192 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -8.362 1.876 -21.904 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -7.198 1.864 -20.558 1.00 0.00 H new ATOM 1540 N ARG A 96 -10.831 -1.657 -20.736 1.00 0.00 N ATOM 1541 CA ARG A 96 -11.558 -2.914 -20.758 1.00 0.00 C ATOM 1542 C ARG A 96 -11.704 -3.467 -19.339 1.00 0.00 C ATOM 1543 O ARG A 96 -11.599 -4.673 -19.126 1.00 0.00 O ATOM 1544 CB ARG A 96 -10.844 -3.948 -21.630 1.00 0.00 C ATOM 1545 CG ARG A 96 -11.179 -3.745 -23.109 1.00 0.00 C ATOM 1546 CD ARG A 96 -10.714 -4.938 -23.946 1.00 0.00 C ATOM 1547 NE ARG A 96 -11.834 -5.447 -24.769 1.00 0.00 N ATOM 1548 CZ ARG A 96 -11.935 -6.720 -25.206 1.00 0.00 C ATOM 1549 NH1 ARG A 96 -10.981 -7.626 -24.903 1.00 0.00 N ATOM 1550 NH2 ARG A 96 -12.980 -7.065 -25.935 1.00 0.00 N ATOM 0 H ARG A 96 -11.288 -0.892 -21.231 1.00 0.00 H new ATOM 0 HA ARG A 96 -12.544 -2.720 -21.179 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -9.767 -3.870 -21.484 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -11.136 -4.952 -21.322 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -12.254 -3.611 -23.227 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -10.703 -2.834 -23.472 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -9.885 -4.641 -24.589 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -10.343 -5.728 -23.293 1.00 0.00 H new ATOM 0 HE ARG A 96 -12.576 -4.795 -25.022 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -10.176 -7.350 -24.340 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -11.065 -8.586 -25.237 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -13.696 -6.374 -26.160 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -13.072 -8.023 -26.273 1.00 0.00 H new ATOM 1563 N GLY A 97 -11.944 -2.558 -18.405 1.00 0.00 N ATOM 1564 CA GLY A 97 -12.107 -2.939 -17.014 1.00 0.00 C ATOM 1565 C GLY A 97 -10.801 -3.495 -16.441 1.00 0.00 C ATOM 1566 O GLY A 97 -10.819 -4.284 -15.497 1.00 0.00 O ATOM 0 H GLY A 97 -12.029 -1.558 -18.586 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -12.425 -2.074 -16.431 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -12.894 -3.688 -16.928 1.00 0.00 H new ATOM 1570 N VAL A 98 -9.700 -3.060 -17.036 1.00 0.00 N ATOM 1571 CA VAL A 98 -8.387 -3.503 -16.597 1.00 0.00 C ATOM 1572 C VAL A 98 -7.467 -2.290 -16.454 1.00 0.00 C ATOM 1573 O VAL A 98 -7.387 -1.457 -17.356 1.00 0.00 O ATOM 1574 CB VAL A 98 -7.841 -4.559 -17.560 1.00 0.00 C ATOM 1575 CG1 VAL A 98 -6.313 -4.507 -17.621 1.00 0.00 C ATOM 1576 CG2 VAL A 98 -8.328 -5.957 -17.174 1.00 0.00 C ATOM 0 H VAL A 98 -9.690 -2.406 -17.818 1.00 0.00 H new ATOM 0 HA VAL A 98 -8.452 -3.979 -15.619 1.00 0.00 H new ATOM 0 HB VAL A 98 -8.224 -4.335 -18.556 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -5.950 -5.268 -18.312 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -5.996 -3.523 -17.965 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -5.903 -4.694 -16.629 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -7.926 -6.689 -17.874 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -7.989 -6.195 -16.166 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -9.417 -5.985 -17.206 1.00 0.00 H new ATOM 1586 N GLN A 99 -6.794 -2.228 -15.314 1.00 0.00 N ATOM 1587 CA GLN A 99 -5.881 -1.131 -15.042 1.00 0.00 C ATOM 1588 C GLN A 99 -4.536 -1.377 -15.728 1.00 0.00 C ATOM 1589 O GLN A 99 -3.827 -2.323 -15.390 1.00 0.00 O ATOM 1590 CB GLN A 99 -5.700 -0.929 -13.537 1.00 0.00 C ATOM 1591 CG GLN A 99 -7.046 -0.697 -12.849 1.00 0.00 C ATOM 1592 CD GLN A 99 -7.623 -2.010 -12.315 1.00 0.00 C ATOM 1593 OE1 GLN A 99 -7.348 -3.088 -12.816 1.00 0.00 O ATOM 1594 NE2 GLN A 99 -8.435 -1.860 -11.273 1.00 0.00 N ATOM 0 H GLN A 99 -6.863 -2.920 -14.568 1.00 0.00 H new ATOM 0 HA GLN A 99 -6.312 -0.216 -15.449 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -5.213 -1.803 -13.105 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -5.044 -0.077 -13.357 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -6.922 0.010 -12.029 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -7.746 -0.248 -13.554 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -8.623 -0.928 -10.903 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -8.870 -2.677 -10.844 1.00 0.00 H new ATOM 1603 N GLU A 100 -4.225 -0.508 -16.679 1.00 0.00 N ATOM 1604 CA GLU A 100 -2.977 -0.620 -17.416 1.00 0.00 C ATOM 1605 C GLU A 100 -2.019 0.502 -17.009 1.00 0.00 C ATOM 1606 O GLU A 100 -2.248 1.666 -17.335 1.00 0.00 O ATOM 1607 CB GLU A 100 -3.228 -0.608 -18.924 1.00 0.00 C ATOM 1608 CG GLU A 100 -1.938 -0.885 -19.698 1.00 0.00 C ATOM 1609 CD GLU A 100 -2.157 -0.732 -21.204 1.00 0.00 C ATOM 1610 OE1 GLU A 100 -2.600 -1.682 -21.866 1.00 0.00 O ATOM 1611 OE2 GLU A 100 -1.850 0.426 -21.684 1.00 0.00 O ATOM 0 H GLU A 100 -4.815 0.276 -16.956 1.00 0.00 H new ATOM 0 HA GLU A 100 -2.514 -1.575 -17.167 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -3.976 -1.359 -19.177 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -3.634 0.359 -19.221 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -1.158 -0.198 -19.369 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -1.588 -1.894 -19.479 1.00 0.00 H new ATOM 1619 N LEU A 101 -0.967 0.112 -16.305 1.00 0.00 N ATOM 1620 CA LEU A 101 0.028 1.070 -15.852 1.00 0.00 C ATOM 1621 C LEU A 101 1.291 0.930 -16.703 1.00 0.00 C ATOM 1622 O LEU A 101 1.883 -0.147 -16.769 1.00 0.00 O ATOM 1623 CB LEU A 101 0.276 0.915 -14.351 1.00 0.00 C ATOM 1624 CG LEU A 101 0.658 2.190 -13.598 1.00 0.00 C ATOM 1625 CD1 LEU A 101 0.695 1.946 -12.089 1.00 0.00 C ATOM 1626 CD2 LEU A 101 1.979 2.760 -14.120 1.00 0.00 C ATOM 0 H LEU A 101 -0.781 -0.854 -16.037 1.00 0.00 H new ATOM 0 HA LEU A 101 -0.335 2.089 -15.988 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -0.625 0.504 -13.895 1.00 0.00 H new ATOM 0 HB3 LEU A 101 1.069 0.181 -14.208 1.00 0.00 H new ATOM 0 HG LEU A 101 -0.112 2.939 -13.783 1.00 0.00 H new ATOM 0 HD11 LEU A 101 0.969 2.869 -11.578 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -0.288 1.621 -11.749 1.00 0.00 H new ATOM 0 HD13 LEU A 101 1.430 1.174 -11.863 1.00 0.00 H new ATOM 0 HD21 LEU A 101 2.228 3.666 -13.568 1.00 0.00 H new ATOM 0 HD22 LEU A 101 2.771 2.024 -13.985 1.00 0.00 H new ATOM 0 HD23 LEU A 101 1.880 2.996 -15.179 1.00 0.00 H new ATOM 1638 N LEU A 102 1.668 2.032 -17.334 1.00 0.00 N ATOM 1639 CA LEU A 102 2.850 2.044 -18.179 1.00 0.00 C ATOM 1640 C LEU A 102 4.031 2.610 -17.387 1.00 0.00 C ATOM 1641 O LEU A 102 3.952 3.715 -16.852 1.00 0.00 O ATOM 1642 CB LEU A 102 2.568 2.793 -19.483 1.00 0.00 C ATOM 1643 CG LEU A 102 1.300 2.380 -20.234 1.00 0.00 C ATOM 1644 CD1 LEU A 102 1.480 2.544 -21.744 1.00 0.00 C ATOM 1645 CD2 LEU A 102 0.879 0.959 -19.857 1.00 0.00 C ATOM 0 H LEU A 102 1.176 2.923 -17.277 1.00 0.00 H new ATOM 0 HA LEU A 102 3.120 1.030 -18.473 1.00 0.00 H new ATOM 0 HB2 LEU A 102 2.504 3.858 -19.260 1.00 0.00 H new ATOM 0 HB3 LEU A 102 3.421 2.657 -20.148 1.00 0.00 H new ATOM 0 HG LEU A 102 0.491 3.046 -19.933 1.00 0.00 H new ATOM 0 HD11 LEU A 102 0.565 2.244 -22.254 1.00 0.00 H new ATOM 0 HD12 LEU A 102 1.698 3.587 -21.973 1.00 0.00 H new ATOM 0 HD13 LEU A 102 2.306 1.918 -22.082 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -0.024 0.690 -20.404 1.00 0.00 H new ATOM 0 HD22 LEU A 102 1.678 0.263 -20.112 1.00 0.00 H new ATOM 0 HD23 LEU A 102 0.683 0.910 -18.786 1.00 0.00 H new ATOM 1657 N LEU A 103 5.099 1.828 -17.338 1.00 0.00 N ATOM 1658 CA LEU A 103 6.294 2.238 -16.622 1.00 0.00 C ATOM 1659 C LEU A 103 7.443 2.417 -17.617 1.00 0.00 C ATOM 1660 O LEU A 103 7.721 1.525 -18.416 1.00 0.00 O ATOM 1661 CB LEU A 103 6.607 1.253 -15.493 1.00 0.00 C ATOM 1662 CG LEU A 103 5.725 1.360 -14.247 1.00 0.00 C ATOM 1663 CD1 LEU A 103 5.670 0.027 -13.499 1.00 0.00 C ATOM 1664 CD2 LEU A 103 6.188 2.506 -13.344 1.00 0.00 C ATOM 0 H LEU A 103 5.161 0.912 -17.783 1.00 0.00 H new ATOM 0 HA LEU A 103 6.136 3.202 -16.139 1.00 0.00 H new ATOM 0 HB2 LEU A 103 6.523 0.240 -15.887 1.00 0.00 H new ATOM 0 HB3 LEU A 103 7.645 1.393 -15.192 1.00 0.00 H new ATOM 0 HG LEU A 103 4.709 1.592 -14.566 1.00 0.00 H new ATOM 0 HD11 LEU A 103 5.037 0.130 -12.618 1.00 0.00 H new ATOM 0 HD12 LEU A 103 5.258 -0.741 -14.154 1.00 0.00 H new ATOM 0 HD13 LEU A 103 6.676 -0.260 -13.192 1.00 0.00 H new ATOM 0 HD21 LEU A 103 5.544 2.560 -12.466 1.00 0.00 H new ATOM 0 HD22 LEU A 103 7.217 2.329 -13.030 1.00 0.00 H new ATOM 0 HD23 LEU A 103 6.133 3.446 -13.893 1.00 0.00 H new ATOM 1676 N LYS A 104 8.079 3.576 -17.535 1.00 0.00 N ATOM 1677 CA LYS A 104 9.191 3.883 -18.417 1.00 0.00 C ATOM 1678 C LYS A 104 10.456 4.094 -17.582 1.00 0.00 C ATOM 1679 O LYS A 104 10.454 4.875 -16.632 1.00 0.00 O ATOM 1680 CB LYS A 104 8.847 5.069 -19.321 1.00 0.00 C ATOM 1681 CG LYS A 104 9.847 5.189 -20.472 1.00 0.00 C ATOM 1682 CD LYS A 104 9.237 4.688 -21.783 1.00 0.00 C ATOM 1683 CE LYS A 104 8.504 5.814 -22.514 1.00 0.00 C ATOM 1684 NZ LYS A 104 9.470 6.799 -23.049 1.00 0.00 N ATOM 0 H LYS A 104 7.845 4.314 -16.871 1.00 0.00 H new ATOM 0 HA LYS A 104 9.387 3.046 -19.088 1.00 0.00 H new ATOM 0 HB2 LYS A 104 7.840 4.946 -19.720 1.00 0.00 H new ATOM 0 HB3 LYS A 104 8.848 5.989 -18.736 1.00 0.00 H new ATOM 0 HG2 LYS A 104 10.155 6.229 -20.584 1.00 0.00 H new ATOM 0 HG3 LYS A 104 10.744 4.614 -20.241 1.00 0.00 H new ATOM 0 HD2 LYS A 104 10.022 4.285 -22.423 1.00 0.00 H new ATOM 0 HD3 LYS A 104 8.544 3.872 -21.577 1.00 0.00 H new ATOM 0 HE2 LYS A 104 7.909 5.400 -23.328 1.00 0.00 H new ATOM 0 HE3 LYS A 104 7.812 6.308 -21.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 9.030 7.328 -23.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 9.746 7.460 -22.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 10.314 6.302 -23.400 1.00 0.00 H new ATOM 1697 N LEU A 105 11.506 3.382 -17.966 1.00 0.00 N ATOM 1698 CA LEU A 105 12.774 3.482 -17.265 1.00 0.00 C ATOM 1699 C LEU A 105 13.768 4.265 -18.125 1.00 0.00 C ATOM 1700 O LEU A 105 14.078 3.862 -19.245 1.00 0.00 O ATOM 1701 CB LEU A 105 13.274 2.093 -16.861 1.00 0.00 C ATOM 1702 CG LEU A 105 14.652 2.042 -16.200 1.00 0.00 C ATOM 1703 CD1 LEU A 105 14.711 2.964 -14.981 1.00 0.00 C ATOM 1704 CD2 LEU A 105 15.041 0.604 -15.851 1.00 0.00 C ATOM 0 H LEU A 105 11.504 2.734 -18.754 1.00 0.00 H new ATOM 0 HA LEU A 105 12.651 4.036 -16.334 1.00 0.00 H new ATOM 0 HB2 LEU A 105 12.549 1.652 -16.177 1.00 0.00 H new ATOM 0 HB3 LEU A 105 13.296 1.464 -17.751 1.00 0.00 H new ATOM 0 HG LEU A 105 15.387 2.409 -16.916 1.00 0.00 H new ATOM 0 HD11 LEU A 105 15.702 2.908 -14.530 1.00 0.00 H new ATOM 0 HD12 LEU A 105 14.510 3.990 -15.291 1.00 0.00 H new ATOM 0 HD13 LEU A 105 13.963 2.652 -14.252 1.00 0.00 H new ATOM 0 HD21 LEU A 105 16.025 0.597 -15.382 1.00 0.00 H new ATOM 0 HD22 LEU A 105 14.308 0.186 -15.162 1.00 0.00 H new ATOM 0 HD23 LEU A 105 15.068 0.003 -16.760 1.00 0.00 H new ATOM 1716 N LEU A 106 14.239 5.372 -17.570 1.00 0.00 N ATOM 1717 CA LEU A 106 15.190 6.216 -18.272 1.00 0.00 C ATOM 1718 C LEU A 106 16.554 5.523 -18.304 1.00 0.00 C ATOM 1719 O LEU A 106 16.928 4.837 -17.355 1.00 0.00 O ATOM 1720 CB LEU A 106 15.226 7.614 -17.652 1.00 0.00 C ATOM 1721 CG LEU A 106 14.001 8.494 -17.912 1.00 0.00 C ATOM 1722 CD1 LEU A 106 13.739 8.641 -19.412 1.00 0.00 C ATOM 1723 CD2 LEU A 106 12.776 7.962 -17.165 1.00 0.00 C ATOM 0 H LEU A 106 13.979 5.704 -16.641 1.00 0.00 H new ATOM 0 HA LEU A 106 14.880 6.359 -19.307 1.00 0.00 H new ATOM 0 HB2 LEU A 106 15.351 7.509 -16.574 1.00 0.00 H new ATOM 0 HB3 LEU A 106 16.108 8.133 -18.026 1.00 0.00 H new ATOM 0 HG LEU A 106 14.208 9.491 -17.523 1.00 0.00 H new ATOM 0 HD11 LEU A 106 12.863 9.271 -19.568 1.00 0.00 H new ATOM 0 HD12 LEU A 106 14.605 9.099 -19.890 1.00 0.00 H new ATOM 0 HD13 LEU A 106 13.561 7.658 -19.848 1.00 0.00 H new ATOM 0 HD21 LEU A 106 11.919 8.605 -17.367 1.00 0.00 H new ATOM 0 HD22 LEU A 106 12.556 6.949 -17.502 1.00 0.00 H new ATOM 0 HD23 LEU A 106 12.979 7.953 -16.094 1.00 0.00 H new