USER MOD reduce.3.24.130724 H: found=0, std=0, add=695, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 699 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 76 THR OG1 : rot 52:sc= 0.931 USER MOD Set 1.2: A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 167:sc=-0.00518 (180deg=-0.113) USER MOD Single : A 19 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0807) USER MOD Single : A 20 GLN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=-0.046) USER MOD Single : A 29 ASN : amide:sc= -0.161 K(o=-0.16,f=-2.9!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 CYS SG : rot -10:sc= 0.993 USER MOD Single : A 42 TYR OH : rot 150:sc= -0.59 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -139:sc= 0 (180deg=-0.181) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 23:sc= 0.171 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= -2.93! C(o=-2.9!,f=-3.6!) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0164) USER MOD Single : A 75 HIS : no HD1:sc= -2.96! C(o=-3!,f=-3.7!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 HIS : no HE2:sc= -6.11! C(o=-6.1!,f=-10!) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc= -2.5! C(o=-2.5!,f=-5.2!) USER MOD Single : A 102 GLN : amide:sc= -0.109 X(o=-0.11,f=-0.0021) USER MOD Single : A 104 MET CE :methyl 179:sc= -0.831 (180deg=-0.848) USER MOD ----------------------------------------------------------------- ATOM 104 N VAL A 11 -0.623 -0.861 12.662 1.00 0.00 N ATOM 105 CA VAL A 11 -0.646 -1.734 11.495 1.00 0.00 C ATOM 106 C VAL A 11 -2.059 -1.873 10.940 1.00 0.00 C ATOM 107 O VAL A 11 -3.036 -1.873 11.690 1.00 0.00 O ATOM 108 CB VAL A 11 -0.099 -3.134 11.831 1.00 0.00 C ATOM 109 CG1 VAL A 11 -0.852 -3.733 13.010 1.00 0.00 C ATOM 110 CG2 VAL A 11 -0.183 -4.045 10.616 1.00 0.00 C ATOM 0 HA VAL A 11 -0.007 -1.273 10.742 1.00 0.00 H new ATOM 0 HB VAL A 11 0.950 -3.037 12.112 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -0.452 -4.722 13.233 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -0.735 -3.089 13.882 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -1.910 -3.817 12.761 1.00 0.00 H new ATOM 0 HG21 VAL A 11 0.208 -5.030 10.872 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.223 -4.138 10.302 1.00 0.00 H new ATOM 0 HG23 VAL A 11 0.406 -3.621 9.802 1.00 0.00 H new ATOM 120 N THR A 12 -2.162 -1.991 9.620 1.00 0.00 N ATOM 121 CA THR A 12 -3.456 -2.129 8.963 1.00 0.00 C ATOM 122 C THR A 12 -3.785 -3.594 8.700 1.00 0.00 C ATOM 123 O THR A 12 -4.868 -4.070 9.042 1.00 0.00 O ATOM 124 CB THR A 12 -3.495 -1.359 7.630 1.00 0.00 C ATOM 125 OG1 THR A 12 -3.128 0.009 7.844 1.00 0.00 O ATOM 126 CG2 THR A 12 -4.880 -1.426 7.007 1.00 0.00 C ATOM 0 H THR A 12 -1.364 -1.994 8.984 1.00 0.00 H new ATOM 0 HA THR A 12 -4.200 -1.707 9.639 1.00 0.00 H new ATOM 0 HB THR A 12 -2.784 -1.823 6.946 1.00 0.00 H new ATOM 0 HG1 THR A 12 -3.153 0.492 6.992 1.00 0.00 H new ATOM 0 HG21 THR A 12 -4.883 -0.875 6.067 1.00 0.00 H new ATOM 0 HG22 THR A 12 -5.144 -2.467 6.819 1.00 0.00 H new ATOM 0 HG23 THR A 12 -5.607 -0.984 7.688 1.00 0.00 H new ATOM 134 N LYS A 13 -2.843 -4.307 8.091 1.00 0.00 N ATOM 135 CA LYS A 13 -3.031 -5.719 7.783 1.00 0.00 C ATOM 136 C LYS A 13 -1.693 -6.452 7.750 1.00 0.00 C ATOM 137 O LYS A 13 -0.682 -5.898 7.320 1.00 0.00 O ATOM 138 CB LYS A 13 -3.744 -5.879 6.438 1.00 0.00 C ATOM 139 CG LYS A 13 -4.180 -7.304 6.146 1.00 0.00 C ATOM 140 CD LYS A 13 -5.077 -7.373 4.921 1.00 0.00 C ATOM 141 CE LYS A 13 -5.743 -8.735 4.794 1.00 0.00 C ATOM 142 NZ LYS A 13 -6.805 -8.931 5.819 1.00 0.00 N ATOM 0 H LYS A 13 -1.941 -3.929 7.801 1.00 0.00 H new ATOM 0 HA LYS A 13 -3.647 -6.157 8.569 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.619 -5.230 6.421 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -3.080 -5.541 5.642 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -3.301 -7.930 5.990 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -4.710 -7.707 7.009 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -5.841 -6.598 4.984 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -4.489 -7.169 4.026 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -6.176 -8.836 3.799 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -4.991 -9.518 4.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -7.379 -9.762 5.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -6.366 -9.080 6.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -7.413 -8.088 5.854 1.00 0.00 H new ATOM 156 N ALA A 14 -1.696 -7.700 8.207 1.00 0.00 N ATOM 157 CA ALA A 14 -0.484 -8.509 8.227 1.00 0.00 C ATOM 158 C ALA A 14 -0.809 -9.990 8.064 1.00 0.00 C ATOM 159 O ALA A 14 -1.642 -10.536 8.787 1.00 0.00 O ATOM 160 CB ALA A 14 0.285 -8.275 9.519 1.00 0.00 C ATOM 0 H ALA A 14 -2.525 -8.173 8.568 1.00 0.00 H new ATOM 0 HA ALA A 14 0.139 -8.206 7.386 1.00 0.00 H new ATOM 0 HB1 ALA A 14 1.188 -8.886 9.521 1.00 0.00 H new ATOM 0 HB2 ALA A 14 0.558 -7.223 9.594 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.340 -8.549 10.369 1.00 0.00 H new ATOM 166 N GLY A 15 -0.147 -10.635 7.108 1.00 0.00 N ATOM 167 CA GLY A 15 -0.381 -12.047 6.867 1.00 0.00 C ATOM 168 C GLY A 15 0.667 -12.661 5.960 1.00 0.00 C ATOM 169 O GLY A 15 1.389 -11.948 5.263 1.00 0.00 O ATOM 0 H GLY A 15 0.547 -10.205 6.496 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -0.390 -12.578 7.819 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -1.366 -12.178 6.420 1.00 0.00 H new ATOM 173 N TRP A 16 0.751 -13.986 5.970 1.00 0.00 N ATOM 174 CA TRP A 16 1.720 -14.696 5.142 1.00 0.00 C ATOM 175 C TRP A 16 1.302 -14.677 3.676 1.00 0.00 C ATOM 176 O TRP A 16 0.321 -15.314 3.291 1.00 0.00 O ATOM 177 CB TRP A 16 1.871 -16.141 5.623 1.00 0.00 C ATOM 178 CG TRP A 16 2.624 -16.262 6.913 1.00 0.00 C ATOM 179 CD1 TRP A 16 2.093 -16.314 8.170 1.00 0.00 C ATOM 180 CD2 TRP A 16 4.045 -16.343 7.072 1.00 0.00 C ATOM 181 NE1 TRP A 16 3.098 -16.423 9.101 1.00 0.00 N ATOM 182 CE2 TRP A 16 4.305 -16.444 8.452 1.00 0.00 C ATOM 183 CE3 TRP A 16 5.122 -16.343 6.182 1.00 0.00 C ATOM 184 CZ2 TRP A 16 5.597 -16.542 8.961 1.00 0.00 C ATOM 185 CZ3 TRP A 16 6.404 -16.440 6.688 1.00 0.00 C ATOM 186 CH2 TRP A 16 6.633 -16.539 8.067 1.00 0.00 C ATOM 0 H TRP A 16 0.161 -14.591 6.541 1.00 0.00 H new ATOM 0 HA TRP A 16 2.680 -14.187 5.233 1.00 0.00 H new ATOM 0 HB2 TRP A 16 0.881 -16.581 5.746 1.00 0.00 H new ATOM 0 HB3 TRP A 16 2.384 -16.720 4.855 1.00 0.00 H new ATOM 0 HD1 TRP A 16 1.038 -16.275 8.399 1.00 0.00 H new ATOM 0 HE1 TRP A 16 2.967 -16.479 10.111 1.00 0.00 H new ATOM 0 HE3 TRP A 16 4.955 -16.269 5.118 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 5.775 -16.618 10.023 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 7.244 -16.440 6.009 1.00 0.00 H new ATOM 0 HH2 TRP A 16 7.647 -16.614 8.431 1.00 0.00 H new ATOM 197 N LEU A 17 2.051 -13.942 2.862 1.00 0.00 N ATOM 198 CA LEU A 17 1.758 -13.840 1.436 1.00 0.00 C ATOM 199 C LEU A 17 2.908 -14.397 0.603 1.00 0.00 C ATOM 200 O LEU A 17 4.034 -14.524 1.085 1.00 0.00 O ATOM 201 CB LEU A 17 1.495 -12.382 1.053 1.00 0.00 C ATOM 202 CG LEU A 17 0.042 -11.916 1.147 1.00 0.00 C ATOM 203 CD1 LEU A 17 -0.055 -10.419 0.896 1.00 0.00 C ATOM 204 CD2 LEU A 17 -0.829 -12.681 0.161 1.00 0.00 C ATOM 0 H LEU A 17 2.866 -13.408 3.164 1.00 0.00 H new ATOM 0 HA LEU A 17 0.865 -14.430 1.230 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.103 -11.743 1.694 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.840 -12.228 0.031 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.320 -12.120 2.155 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.096 -10.105 0.967 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.536 -9.886 1.641 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.326 -10.192 -0.100 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.860 -12.336 0.242 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.468 -12.509 -0.853 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.784 -13.746 0.387 1.00 0.00 H new ATOM 216 N PHE A 18 2.617 -14.726 -0.651 1.00 0.00 N ATOM 217 CA PHE A 18 3.627 -15.269 -1.553 1.00 0.00 C ATOM 218 C PHE A 18 4.057 -14.225 -2.579 1.00 0.00 C ATOM 219 O PHE A 18 3.266 -13.804 -3.423 1.00 0.00 O ATOM 220 CB PHE A 18 3.089 -16.511 -2.267 1.00 0.00 C ATOM 221 CG PHE A 18 2.993 -17.718 -1.380 1.00 0.00 C ATOM 222 CD1 PHE A 18 2.106 -17.744 -0.315 1.00 0.00 C ATOM 223 CD2 PHE A 18 3.789 -18.829 -1.610 1.00 0.00 C ATOM 224 CE1 PHE A 18 2.017 -18.854 0.504 1.00 0.00 C ATOM 225 CE2 PHE A 18 3.704 -19.942 -0.794 1.00 0.00 C ATOM 226 CZ PHE A 18 2.816 -19.954 0.263 1.00 0.00 C ATOM 0 H PHE A 18 1.691 -14.626 -1.066 1.00 0.00 H new ATOM 0 HA PHE A 18 4.497 -15.549 -0.958 1.00 0.00 H new ATOM 0 HB2 PHE A 18 2.102 -16.288 -2.672 1.00 0.00 H new ATOM 0 HB3 PHE A 18 3.736 -16.742 -3.113 1.00 0.00 H new ATOM 0 HD1 PHE A 18 1.477 -16.887 -0.123 1.00 0.00 H new ATOM 0 HD2 PHE A 18 4.484 -18.825 -2.437 1.00 0.00 H new ATOM 0 HE1 PHE A 18 1.323 -18.861 1.332 1.00 0.00 H new ATOM 0 HE2 PHE A 18 4.331 -20.801 -0.983 1.00 0.00 H new ATOM 0 HZ PHE A 18 2.746 -20.823 0.901 1.00 0.00 H new ATOM 236 N LYS A 19 5.317 -13.810 -2.499 1.00 0.00 N ATOM 237 CA LYS A 19 5.855 -12.815 -3.420 1.00 0.00 C ATOM 238 C LYS A 19 6.490 -13.486 -4.634 1.00 0.00 C ATOM 239 O LYS A 19 7.484 -14.200 -4.510 1.00 0.00 O ATOM 240 CB LYS A 19 6.889 -11.939 -2.709 1.00 0.00 C ATOM 241 CG LYS A 19 7.097 -10.587 -3.370 1.00 0.00 C ATOM 242 CD LYS A 19 8.311 -9.870 -2.802 1.00 0.00 C ATOM 243 CE LYS A 19 8.715 -8.687 -3.668 1.00 0.00 C ATOM 244 NZ LYS A 19 9.360 -9.124 -4.937 1.00 0.00 N ATOM 0 H LYS A 19 5.985 -14.147 -1.806 1.00 0.00 H new ATOM 0 HA LYS A 19 5.031 -12.189 -3.762 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.574 -11.785 -1.677 1.00 0.00 H new ATOM 0 HB3 LYS A 19 7.841 -12.469 -2.676 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.222 -10.722 -4.444 1.00 0.00 H new ATOM 0 HG3 LYS A 19 6.209 -9.971 -3.227 1.00 0.00 H new ATOM 0 HD2 LYS A 19 8.091 -9.525 -1.792 1.00 0.00 H new ATOM 0 HD3 LYS A 19 9.145 -10.568 -2.726 1.00 0.00 H new ATOM 0 HE2 LYS A 19 7.835 -8.086 -3.896 1.00 0.00 H new ATOM 0 HE3 LYS A 19 9.402 -8.048 -3.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 9.801 -8.305 -5.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 10.088 -9.837 -4.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 8.642 -9.536 -5.567 1.00 0.00 H new ATOM 258 N GLN A 20 5.910 -13.249 -5.806 1.00 0.00 N ATOM 259 CA GLN A 20 6.420 -13.830 -7.042 1.00 0.00 C ATOM 260 C GLN A 20 7.929 -13.633 -7.153 1.00 0.00 C ATOM 261 O GLN A 20 8.487 -12.698 -6.579 1.00 0.00 O ATOM 262 CB GLN A 20 5.722 -13.204 -8.251 1.00 0.00 C ATOM 263 CG GLN A 20 5.643 -14.130 -9.454 1.00 0.00 C ATOM 264 CD GLN A 20 4.816 -13.549 -10.584 1.00 0.00 C ATOM 265 OE1 GLN A 20 4.505 -12.358 -10.592 1.00 0.00 O ATOM 266 NE2 GLN A 20 4.454 -14.390 -11.546 1.00 0.00 N ATOM 0 H GLN A 20 5.087 -12.659 -5.926 1.00 0.00 H new ATOM 0 HA GLN A 20 6.211 -14.900 -7.025 1.00 0.00 H new ATOM 0 HB2 GLN A 20 4.713 -12.907 -7.964 1.00 0.00 H new ATOM 0 HB3 GLN A 20 6.252 -12.296 -8.536 1.00 0.00 H new ATOM 0 HG2 GLN A 20 6.650 -14.337 -9.815 1.00 0.00 H new ATOM 0 HG3 GLN A 20 5.213 -15.083 -9.147 1.00 0.00 H new ATOM 0 HE21 GLN A 20 4.734 -15.370 -11.499 1.00 0.00 H new ATOM 0 HE22 GLN A 20 3.896 -14.056 -12.332 1.00 0.00 H new ATOM 275 N ALA A 21 8.583 -14.521 -7.895 1.00 0.00 N ATOM 276 CA ALA A 21 10.027 -14.444 -8.082 1.00 0.00 C ATOM 277 C ALA A 21 10.377 -13.603 -9.305 1.00 0.00 C ATOM 278 O ALA A 21 9.569 -13.456 -10.222 1.00 0.00 O ATOM 279 CB ALA A 21 10.617 -15.840 -8.212 1.00 0.00 C ATOM 0 H ALA A 21 8.136 -15.302 -8.376 1.00 0.00 H new ATOM 0 HA ALA A 21 10.458 -13.960 -7.205 1.00 0.00 H new ATOM 0 HB1 ALA A 21 11.696 -15.768 -8.351 1.00 0.00 H new ATOM 0 HB2 ALA A 21 10.405 -16.410 -7.307 1.00 0.00 H new ATOM 0 HB3 ALA A 21 10.173 -16.344 -9.071 1.00 0.00 H new ATOM 352 N GLN A 27 8.477 -19.052 -10.033 1.00 0.00 N ATOM 353 CA GLN A 27 8.098 -19.602 -8.737 1.00 0.00 C ATOM 354 C GLN A 27 7.822 -18.488 -7.732 1.00 0.00 C ATOM 355 O GLN A 27 8.341 -17.380 -7.862 1.00 0.00 O ATOM 356 CB GLN A 27 9.201 -20.521 -8.207 1.00 0.00 C ATOM 357 CG GLN A 27 10.471 -19.783 -7.814 1.00 0.00 C ATOM 358 CD GLN A 27 11.561 -20.717 -7.327 1.00 0.00 C ATOM 359 OE1 GLN A 27 11.329 -21.565 -6.466 1.00 0.00 O ATOM 360 NE2 GLN A 27 12.760 -20.565 -7.878 1.00 0.00 N ATOM 0 HA GLN A 27 7.184 -20.181 -8.870 1.00 0.00 H new ATOM 0 HB2 GLN A 27 8.824 -21.065 -7.341 1.00 0.00 H new ATOM 0 HB3 GLN A 27 9.442 -21.262 -8.969 1.00 0.00 H new ATOM 0 HG2 GLN A 27 10.838 -19.218 -8.671 1.00 0.00 H new ATOM 0 HG3 GLN A 27 10.240 -19.061 -7.031 1.00 0.00 H new ATOM 0 HE21 GLN A 27 12.907 -19.849 -8.589 1.00 0.00 H new ATOM 0 HE22 GLN A 27 13.533 -21.165 -7.590 1.00 0.00 H new ATOM 369 N TRP A 28 7.003 -18.791 -6.732 1.00 0.00 N ATOM 370 CA TRP A 28 6.658 -17.814 -5.705 1.00 0.00 C ATOM 371 C TRP A 28 7.392 -18.110 -4.403 1.00 0.00 C ATOM 372 O TRP A 28 7.610 -19.269 -4.052 1.00 0.00 O ATOM 373 CB TRP A 28 5.147 -17.809 -5.464 1.00 0.00 C ATOM 374 CG TRP A 28 4.350 -17.487 -6.691 1.00 0.00 C ATOM 375 CD1 TRP A 28 4.207 -18.267 -7.803 1.00 0.00 C ATOM 376 CD2 TRP A 28 3.589 -16.299 -6.932 1.00 0.00 C ATOM 377 NE1 TRP A 28 3.402 -17.635 -8.720 1.00 0.00 N ATOM 378 CE2 TRP A 28 3.010 -16.426 -8.209 1.00 0.00 C ATOM 379 CE3 TRP A 28 3.339 -15.140 -6.191 1.00 0.00 C ATOM 380 CZ2 TRP A 28 2.198 -15.438 -8.760 1.00 0.00 C ATOM 381 CZ3 TRP A 28 2.533 -14.160 -6.740 1.00 0.00 C ATOM 382 CH2 TRP A 28 1.970 -14.314 -8.013 1.00 0.00 C ATOM 0 H TRP A 28 6.566 -19.704 -6.610 1.00 0.00 H new ATOM 0 HA TRP A 28 6.966 -16.830 -6.057 1.00 0.00 H new ATOM 0 HB2 TRP A 28 4.843 -18.786 -5.088 1.00 0.00 H new ATOM 0 HB3 TRP A 28 4.913 -17.082 -4.686 1.00 0.00 H new ATOM 0 HD1 TRP A 28 4.660 -19.238 -7.941 1.00 0.00 H new ATOM 0 HE1 TRP A 28 3.139 -18.006 -9.633 1.00 0.00 H new ATOM 0 HE3 TRP A 28 3.768 -15.013 -5.208 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 1.764 -15.554 -9.742 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 2.334 -13.260 -6.177 1.00 0.00 H new ATOM 0 HH2 TRP A 28 1.344 -13.530 -8.413 1.00 0.00 H new ATOM 393 N ASN A 29 7.772 -17.055 -3.689 1.00 0.00 N ATOM 394 CA ASN A 29 8.483 -17.204 -2.424 1.00 0.00 C ATOM 395 C ASN A 29 7.653 -16.659 -1.266 1.00 0.00 C ATOM 396 O ASN A 29 7.326 -15.473 -1.225 1.00 0.00 O ATOM 397 CB ASN A 29 9.830 -16.481 -2.485 1.00 0.00 C ATOM 398 CG ASN A 29 10.484 -16.591 -3.849 1.00 0.00 C ATOM 399 OD1 ASN A 29 10.031 -15.981 -4.817 1.00 0.00 O ATOM 400 ND2 ASN A 29 11.556 -17.371 -3.930 1.00 0.00 N ATOM 0 H ASN A 29 7.600 -16.088 -3.965 1.00 0.00 H new ATOM 0 HA ASN A 29 8.655 -18.267 -2.255 1.00 0.00 H new ATOM 0 HB2 ASN A 29 9.686 -15.429 -2.238 1.00 0.00 H new ATOM 0 HB3 ASN A 29 10.497 -16.897 -1.730 1.00 0.00 H new ATOM 0 HD21 ASN A 29 12.039 -17.483 -4.821 1.00 0.00 H new ATOM 0 HD22 ASN A 29 11.896 -17.858 -3.101 1.00 0.00 H new ATOM 407 N LYS A 30 7.315 -17.534 -0.325 1.00 0.00 N ATOM 408 CA LYS A 30 6.524 -17.143 0.836 1.00 0.00 C ATOM 409 C LYS A 30 7.294 -16.159 1.712 1.00 0.00 C ATOM 410 O LYS A 30 8.506 -16.284 1.883 1.00 0.00 O ATOM 411 CB LYS A 30 6.138 -18.377 1.655 1.00 0.00 C ATOM 412 CG LYS A 30 5.114 -18.090 2.740 1.00 0.00 C ATOM 413 CD LYS A 30 4.450 -19.366 3.231 1.00 0.00 C ATOM 414 CE LYS A 30 3.674 -19.130 4.518 1.00 0.00 C ATOM 415 NZ LYS A 30 3.320 -20.409 5.193 1.00 0.00 N ATOM 0 H LYS A 30 7.577 -18.520 -0.344 1.00 0.00 H new ATOM 0 HA LYS A 30 5.618 -16.653 0.479 1.00 0.00 H new ATOM 0 HB2 LYS A 30 5.741 -19.138 0.984 1.00 0.00 H new ATOM 0 HB3 LYS A 30 7.035 -18.793 2.114 1.00 0.00 H new ATOM 0 HG2 LYS A 30 5.600 -17.586 3.576 1.00 0.00 H new ATOM 0 HG3 LYS A 30 4.355 -17.409 2.355 1.00 0.00 H new ATOM 0 HD2 LYS A 30 3.776 -19.746 2.463 1.00 0.00 H new ATOM 0 HD3 LYS A 30 5.208 -20.131 3.397 1.00 0.00 H new ATOM 0 HE2 LYS A 30 4.269 -18.515 5.193 1.00 0.00 H new ATOM 0 HE3 LYS A 30 2.764 -18.572 4.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 2.792 -20.206 6.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 2.731 -20.985 4.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 4.189 -20.930 5.427 1.00 0.00 H new ATOM 429 N ARG A 31 6.581 -15.183 2.264 1.00 0.00 N ATOM 430 CA ARG A 31 7.198 -14.178 3.122 1.00 0.00 C ATOM 431 C ARG A 31 6.139 -13.416 3.914 1.00 0.00 C ATOM 432 O ARG A 31 5.037 -13.174 3.422 1.00 0.00 O ATOM 433 CB ARG A 31 8.025 -13.201 2.285 1.00 0.00 C ATOM 434 CG ARG A 31 9.212 -12.614 3.032 1.00 0.00 C ATOM 435 CD ARG A 31 10.458 -13.468 2.857 1.00 0.00 C ATOM 436 NE ARG A 31 11.090 -13.255 1.558 1.00 0.00 N ATOM 437 CZ ARG A 31 12.085 -14.003 1.094 1.00 0.00 C ATOM 438 NH1 ARG A 31 12.559 -15.006 1.819 1.00 0.00 N ATOM 439 NH2 ARG A 31 12.608 -13.747 -0.099 1.00 0.00 N ATOM 0 H ARG A 31 5.576 -15.067 2.133 1.00 0.00 H new ATOM 0 HA ARG A 31 7.855 -14.690 3.825 1.00 0.00 H new ATOM 0 HB2 ARG A 31 8.385 -13.714 1.393 1.00 0.00 H new ATOM 0 HB3 ARG A 31 7.381 -12.389 1.948 1.00 0.00 H new ATOM 0 HG2 ARG A 31 9.408 -11.605 2.670 1.00 0.00 H new ATOM 0 HG3 ARG A 31 8.972 -12.532 4.092 1.00 0.00 H new ATOM 0 HD2 ARG A 31 11.170 -13.236 3.649 1.00 0.00 H new ATOM 0 HD3 ARG A 31 10.194 -14.520 2.963 1.00 0.00 H new ATOM 0 HE ARG A 31 10.749 -12.490 0.975 1.00 0.00 H new ATOM 0 HH11 ARG A 31 12.160 -15.206 2.736 1.00 0.00 H new ATOM 0 HH12 ARG A 31 13.323 -15.578 1.460 1.00 0.00 H new ATOM 0 HH21 ARG A 31 12.246 -12.976 -0.660 1.00 0.00 H new ATOM 0 HH22 ARG A 31 13.372 -14.322 -0.455 1.00 0.00 H new ATOM 453 N TRP A 32 6.482 -13.042 5.141 1.00 0.00 N ATOM 454 CA TRP A 32 5.561 -12.309 6.002 1.00 0.00 C ATOM 455 C TRP A 32 5.370 -10.881 5.503 1.00 0.00 C ATOM 456 O TRP A 32 6.320 -10.099 5.450 1.00 0.00 O ATOM 457 CB TRP A 32 6.078 -12.294 7.441 1.00 0.00 C ATOM 458 CG TRP A 32 5.127 -11.654 8.407 1.00 0.00 C ATOM 459 CD1 TRP A 32 5.348 -10.532 9.153 1.00 0.00 C ATOM 460 CD2 TRP A 32 3.806 -12.101 8.733 1.00 0.00 C ATOM 461 NE1 TRP A 32 4.243 -10.254 9.922 1.00 0.00 N ATOM 462 CE2 TRP A 32 3.284 -11.201 9.682 1.00 0.00 C ATOM 463 CE3 TRP A 32 3.013 -13.173 8.313 1.00 0.00 C ATOM 464 CZ2 TRP A 32 2.006 -11.343 10.218 1.00 0.00 C ATOM 465 CZ3 TRP A 32 1.746 -13.312 8.846 1.00 0.00 C ATOM 466 CH2 TRP A 32 1.252 -12.401 9.789 1.00 0.00 C ATOM 0 H TRP A 32 7.391 -13.234 5.562 1.00 0.00 H new ATOM 0 HA TRP A 32 4.596 -12.816 5.975 1.00 0.00 H new ATOM 0 HB2 TRP A 32 6.274 -13.318 7.760 1.00 0.00 H new ATOM 0 HB3 TRP A 32 7.029 -11.762 7.472 1.00 0.00 H new ATOM 0 HD1 TRP A 32 6.257 -9.949 9.141 1.00 0.00 H new ATOM 0 HE1 TRP A 32 4.152 -9.469 10.567 1.00 0.00 H new ATOM 0 HE3 TRP A 32 3.384 -13.879 7.585 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 1.624 -10.643 10.946 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 1.125 -14.137 8.530 1.00 0.00 H new ATOM 0 HH2 TRP A 32 0.256 -12.537 10.185 1.00 0.00 H new ATOM 477 N PHE A 33 4.137 -10.546 5.138 1.00 0.00 N ATOM 478 CA PHE A 33 3.822 -9.211 4.642 1.00 0.00 C ATOM 479 C PHE A 33 2.990 -8.436 5.658 1.00 0.00 C ATOM 480 O PHE A 33 2.070 -8.980 6.270 1.00 0.00 O ATOM 481 CB PHE A 33 3.069 -9.302 3.313 1.00 0.00 C ATOM 482 CG PHE A 33 3.972 -9.449 2.121 1.00 0.00 C ATOM 483 CD1 PHE A 33 4.379 -10.703 1.694 1.00 0.00 C ATOM 484 CD2 PHE A 33 4.414 -8.333 1.429 1.00 0.00 C ATOM 485 CE1 PHE A 33 5.210 -10.841 0.598 1.00 0.00 C ATOM 486 CE2 PHE A 33 5.244 -8.465 0.332 1.00 0.00 C ATOM 487 CZ PHE A 33 5.643 -9.721 -0.084 1.00 0.00 C ATOM 0 H PHE A 33 3.339 -11.181 5.176 1.00 0.00 H new ATOM 0 HA PHE A 33 4.760 -8.679 4.485 1.00 0.00 H new ATOM 0 HB2 PHE A 33 2.387 -10.151 3.349 1.00 0.00 H new ATOM 0 HB3 PHE A 33 2.459 -8.408 3.188 1.00 0.00 H new ATOM 0 HD1 PHE A 33 4.043 -11.582 2.223 1.00 0.00 H new ATOM 0 HD2 PHE A 33 4.106 -7.349 1.751 1.00 0.00 H new ATOM 0 HE1 PHE A 33 5.520 -11.824 0.275 1.00 0.00 H new ATOM 0 HE2 PHE A 33 5.581 -7.587 -0.200 1.00 0.00 H new ATOM 0 HZ PHE A 33 6.292 -9.826 -0.941 1.00 0.00 H new ATOM 497 N VAL A 34 3.319 -7.160 5.834 1.00 0.00 N ATOM 498 CA VAL A 34 2.603 -6.308 6.776 1.00 0.00 C ATOM 499 C VAL A 34 2.342 -4.929 6.181 1.00 0.00 C ATOM 500 O VAL A 34 3.259 -4.119 6.038 1.00 0.00 O ATOM 501 CB VAL A 34 3.384 -6.147 8.093 1.00 0.00 C ATOM 502 CG1 VAL A 34 2.579 -5.335 9.096 1.00 0.00 C ATOM 503 CG2 VAL A 34 3.748 -7.508 8.666 1.00 0.00 C ATOM 0 H VAL A 34 4.077 -6.694 5.336 1.00 0.00 H new ATOM 0 HA VAL A 34 1.651 -6.797 6.984 1.00 0.00 H new ATOM 0 HB VAL A 34 4.308 -5.608 7.884 1.00 0.00 H new ATOM 0 HG11 VAL A 34 3.147 -5.232 10.020 1.00 0.00 H new ATOM 0 HG12 VAL A 34 2.374 -4.347 8.684 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.637 -5.843 9.304 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.300 -7.375 9.597 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.838 -8.076 8.861 1.00 0.00 H new ATOM 0 HG23 VAL A 34 4.367 -8.050 7.951 1.00 0.00 H new ATOM 513 N LEU A 35 1.086 -4.668 5.835 1.00 0.00 N ATOM 514 CA LEU A 35 0.703 -3.385 5.255 1.00 0.00 C ATOM 515 C LEU A 35 0.644 -2.300 6.325 1.00 0.00 C ATOM 516 O LEU A 35 0.143 -2.526 7.426 1.00 0.00 O ATOM 517 CB LEU A 35 -0.653 -3.504 4.557 1.00 0.00 C ATOM 518 CG LEU A 35 -1.392 -2.190 4.299 1.00 0.00 C ATOM 519 CD1 LEU A 35 -0.876 -1.527 3.031 1.00 0.00 C ATOM 520 CD2 LEU A 35 -2.891 -2.432 4.205 1.00 0.00 C ATOM 0 H LEU A 35 0.316 -5.327 5.946 1.00 0.00 H new ATOM 0 HA LEU A 35 1.459 -3.105 4.522 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.505 -4.008 3.602 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -1.295 -4.146 5.160 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.204 -1.519 5.137 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.414 -0.594 2.864 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.189 -1.319 3.137 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -1.033 -2.193 2.182 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -3.401 -1.487 4.021 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -3.098 -3.121 3.386 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -3.249 -2.862 5.140 1.00 0.00 H new ATOM 532 N VAL A 36 1.158 -1.120 5.992 1.00 0.00 N ATOM 533 CA VAL A 36 1.160 0.003 6.923 1.00 0.00 C ATOM 534 C VAL A 36 0.312 1.155 6.397 1.00 0.00 C ATOM 535 O VAL A 36 -0.333 1.039 5.355 1.00 0.00 O ATOM 536 CB VAL A 36 2.591 0.510 7.186 1.00 0.00 C ATOM 537 CG1 VAL A 36 2.997 1.530 6.133 1.00 0.00 C ATOM 538 CG2 VAL A 36 2.697 1.102 8.583 1.00 0.00 C ATOM 0 H VAL A 36 1.578 -0.917 5.085 1.00 0.00 H new ATOM 0 HA VAL A 36 0.733 -0.360 7.858 1.00 0.00 H new ATOM 0 HB VAL A 36 3.276 -0.335 7.122 1.00 0.00 H new ATOM 0 HG11 VAL A 36 4.010 1.877 6.334 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.961 1.068 5.146 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.311 2.376 6.163 1.00 0.00 H new ATOM 0 HG21 VAL A 36 3.714 1.455 8.752 1.00 0.00 H new ATOM 0 HG22 VAL A 36 2.002 1.937 8.678 1.00 0.00 H new ATOM 0 HG23 VAL A 36 2.450 0.339 9.321 1.00 0.00 H new ATOM 548 N ASP A 37 0.319 2.267 7.124 1.00 0.00 N ATOM 549 CA ASP A 37 -0.449 3.442 6.730 1.00 0.00 C ATOM 550 C ASP A 37 -0.465 3.598 5.213 1.00 0.00 C ATOM 551 O ASP A 37 -1.477 3.336 4.563 1.00 0.00 O ATOM 552 CB ASP A 37 0.134 4.699 7.378 1.00 0.00 C ATOM 553 CG ASP A 37 -0.488 4.996 8.729 1.00 0.00 C ATOM 554 OD1 ASP A 37 -0.933 4.041 9.400 1.00 0.00 O ATOM 555 OD2 ASP A 37 -0.528 6.182 9.115 1.00 0.00 O ATOM 0 H ASP A 37 0.848 2.379 7.989 1.00 0.00 H new ATOM 0 HA ASP A 37 -1.475 3.307 7.074 1.00 0.00 H new ATOM 0 HB2 ASP A 37 1.211 4.577 7.496 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -0.020 5.551 6.715 1.00 0.00 H new ATOM 560 N ARG A 38 0.663 4.026 4.655 1.00 0.00 N ATOM 561 CA ARG A 38 0.778 4.219 3.215 1.00 0.00 C ATOM 562 C ARG A 38 2.014 3.509 2.668 1.00 0.00 C ATOM 563 O ARG A 38 2.846 4.120 1.997 1.00 0.00 O ATOM 564 CB ARG A 38 0.844 5.710 2.882 1.00 0.00 C ATOM 565 CG ARG A 38 -0.517 6.341 2.638 1.00 0.00 C ATOM 566 CD ARG A 38 -0.427 7.498 1.656 1.00 0.00 C ATOM 567 NE ARG A 38 -1.460 8.503 1.898 1.00 0.00 N ATOM 568 CZ ARG A 38 -1.480 9.294 2.964 1.00 0.00 C ATOM 569 NH1 ARG A 38 -0.529 9.198 3.883 1.00 0.00 N ATOM 570 NH2 ARG A 38 -2.453 10.183 3.114 1.00 0.00 N ATOM 0 H ARG A 38 1.510 4.246 5.179 1.00 0.00 H new ATOM 0 HA ARG A 38 -0.106 3.788 2.745 1.00 0.00 H new ATOM 0 HB2 ARG A 38 1.337 6.235 3.700 1.00 0.00 H new ATOM 0 HB3 ARG A 38 1.463 5.849 1.996 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -1.204 5.588 2.253 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -0.929 6.695 3.583 1.00 0.00 H new ATOM 0 HD2 ARG A 38 0.556 7.963 1.732 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -0.522 7.118 0.639 1.00 0.00 H new ATOM 0 HE ARG A 38 -2.207 8.602 1.210 1.00 0.00 H new ATOM 0 HH11 ARG A 38 0.220 8.515 3.772 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -0.547 9.807 4.701 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -3.187 10.259 2.410 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -2.467 10.790 3.934 1.00 0.00 H new ATOM 584 N CYS A 39 2.126 2.219 2.961 1.00 0.00 N ATOM 585 CA CYS A 39 3.261 1.426 2.500 1.00 0.00 C ATOM 586 C CYS A 39 3.086 -0.042 2.873 1.00 0.00 C ATOM 587 O CYS A 39 2.105 -0.418 3.516 1.00 0.00 O ATOM 588 CB CYS A 39 4.562 1.965 3.097 1.00 0.00 C ATOM 589 SG CYS A 39 6.008 1.744 2.035 1.00 0.00 S ATOM 0 H CYS A 39 1.446 1.699 3.515 1.00 0.00 H new ATOM 0 HA CYS A 39 3.309 1.503 1.414 1.00 0.00 H new ATOM 0 HB2 CYS A 39 4.439 3.027 3.309 1.00 0.00 H new ATOM 0 HB3 CYS A 39 4.745 1.469 4.050 1.00 0.00 H new ATOM 0 HG CYS A 39 5.701 0.965 1.040 1.00 0.00 H new ATOM 595 N LEU A 40 4.042 -0.869 2.465 1.00 0.00 N ATOM 596 CA LEU A 40 3.994 -2.298 2.755 1.00 0.00 C ATOM 597 C LEU A 40 5.392 -2.849 3.014 1.00 0.00 C ATOM 598 O LEU A 40 6.280 -2.740 2.169 1.00 0.00 O ATOM 599 CB LEU A 40 3.343 -3.052 1.594 1.00 0.00 C ATOM 600 CG LEU A 40 3.482 -4.574 1.621 1.00 0.00 C ATOM 601 CD1 LEU A 40 2.696 -5.162 2.782 1.00 0.00 C ATOM 602 CD2 LEU A 40 3.018 -5.176 0.302 1.00 0.00 C ATOM 0 H LEU A 40 4.860 -0.575 1.932 1.00 0.00 H new ATOM 0 HA LEU A 40 3.395 -2.441 3.655 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.282 -2.804 1.576 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.772 -2.684 0.662 1.00 0.00 H new ATOM 0 HG LEU A 40 4.535 -4.820 1.760 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.807 -6.246 2.785 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.074 -4.756 3.720 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.642 -4.906 2.675 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.124 -6.260 0.340 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.972 -4.919 0.133 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.625 -4.780 -0.512 1.00 0.00 H new ATOM 614 N PHE A 41 5.580 -3.442 4.188 1.00 0.00 N ATOM 615 CA PHE A 41 6.871 -4.012 4.559 1.00 0.00 C ATOM 616 C PHE A 41 6.776 -5.529 4.696 1.00 0.00 C ATOM 617 O PHE A 41 5.742 -6.064 5.096 1.00 0.00 O ATOM 618 CB PHE A 41 7.365 -3.399 5.871 1.00 0.00 C ATOM 619 CG PHE A 41 7.535 -1.908 5.809 1.00 0.00 C ATOM 620 CD1 PHE A 41 8.736 -1.352 5.399 1.00 0.00 C ATOM 621 CD2 PHE A 41 6.495 -1.063 6.161 1.00 0.00 C ATOM 622 CE1 PHE A 41 8.896 0.020 5.342 1.00 0.00 C ATOM 623 CE2 PHE A 41 6.649 0.309 6.105 1.00 0.00 C ATOM 624 CZ PHE A 41 7.851 0.851 5.695 1.00 0.00 C ATOM 0 H PHE A 41 4.855 -3.541 4.899 1.00 0.00 H new ATOM 0 HA PHE A 41 7.584 -3.780 3.768 1.00 0.00 H new ATOM 0 HB2 PHE A 41 6.660 -3.644 6.665 1.00 0.00 H new ATOM 0 HB3 PHE A 41 8.318 -3.855 6.140 1.00 0.00 H new ATOM 0 HD1 PHE A 41 9.556 -1.997 5.121 1.00 0.00 H new ATOM 0 HD2 PHE A 41 5.553 -1.482 6.483 1.00 0.00 H new ATOM 0 HE1 PHE A 41 9.837 0.442 5.022 1.00 0.00 H new ATOM 0 HE2 PHE A 41 5.830 0.957 6.382 1.00 0.00 H new ATOM 0 HZ PHE A 41 7.974 1.923 5.650 1.00 0.00 H new ATOM 634 N TYR A 42 7.863 -6.216 4.363 1.00 0.00 N ATOM 635 CA TYR A 42 7.903 -7.671 4.446 1.00 0.00 C ATOM 636 C TYR A 42 9.139 -8.139 5.207 1.00 0.00 C ATOM 637 O TYR A 42 10.209 -7.538 5.106 1.00 0.00 O ATOM 638 CB TYR A 42 7.891 -8.283 3.044 1.00 0.00 C ATOM 639 CG TYR A 42 9.130 -7.969 2.236 1.00 0.00 C ATOM 640 CD1 TYR A 42 10.279 -8.740 2.360 1.00 0.00 C ATOM 641 CD2 TYR A 42 9.150 -6.901 1.347 1.00 0.00 C ATOM 642 CE1 TYR A 42 11.413 -8.456 1.624 1.00 0.00 C ATOM 643 CE2 TYR A 42 10.279 -6.611 0.605 1.00 0.00 C ATOM 644 CZ TYR A 42 11.408 -7.390 0.748 1.00 0.00 C ATOM 645 OH TYR A 42 12.535 -7.105 0.012 1.00 0.00 O ATOM 0 H TYR A 42 8.728 -5.789 4.033 1.00 0.00 H new ATOM 0 HA TYR A 42 7.018 -8.003 4.988 1.00 0.00 H new ATOM 0 HB2 TYR A 42 7.788 -9.365 3.130 1.00 0.00 H new ATOM 0 HB3 TYR A 42 7.015 -7.921 2.506 1.00 0.00 H new ATOM 0 HD1 TYR A 42 10.286 -9.576 3.044 1.00 0.00 H new ATOM 0 HD2 TYR A 42 8.268 -6.287 1.234 1.00 0.00 H new ATOM 0 HE1 TYR A 42 12.298 -9.065 1.734 1.00 0.00 H new ATOM 0 HE2 TYR A 42 10.277 -5.779 -0.083 1.00 0.00 H new ATOM 0 HH TYR A 42 12.275 -6.699 -0.841 1.00 0.00 H new ATOM 655 N TYR A 43 8.984 -9.217 5.968 1.00 0.00 N ATOM 656 CA TYR A 43 10.086 -9.766 6.749 1.00 0.00 C ATOM 657 C TYR A 43 10.200 -11.274 6.544 1.00 0.00 C ATOM 658 O TYR A 43 9.231 -11.938 6.174 1.00 0.00 O ATOM 659 CB TYR A 43 9.891 -9.456 8.234 1.00 0.00 C ATOM 660 CG TYR A 43 9.404 -8.049 8.500 1.00 0.00 C ATOM 661 CD1 TYR A 43 8.113 -7.664 8.159 1.00 0.00 C ATOM 662 CD2 TYR A 43 10.234 -7.106 9.093 1.00 0.00 C ATOM 663 CE1 TYR A 43 7.664 -6.380 8.399 1.00 0.00 C ATOM 664 CE2 TYR A 43 9.793 -5.820 9.338 1.00 0.00 C ATOM 665 CZ TYR A 43 8.507 -5.462 8.989 1.00 0.00 C ATOM 666 OH TYR A 43 8.063 -4.182 9.232 1.00 0.00 O ATOM 0 H TYR A 43 8.106 -9.728 6.061 1.00 0.00 H new ATOM 0 HA TYR A 43 11.009 -9.299 6.405 1.00 0.00 H new ATOM 0 HB2 TYR A 43 9.177 -10.164 8.654 1.00 0.00 H new ATOM 0 HB3 TYR A 43 10.836 -9.609 8.756 1.00 0.00 H new ATOM 0 HD1 TYR A 43 7.449 -8.381 7.698 1.00 0.00 H new ATOM 0 HD2 TYR A 43 11.241 -7.383 9.367 1.00 0.00 H new ATOM 0 HE1 TYR A 43 6.658 -6.097 8.126 1.00 0.00 H new ATOM 0 HE2 TYR A 43 10.451 -5.099 9.800 1.00 0.00 H new ATOM 0 HH TYR A 43 8.779 -3.662 9.653 1.00 0.00 H new ATOM 676 N LYS A 44 11.392 -11.809 6.787 1.00 0.00 N ATOM 677 CA LYS A 44 11.636 -13.238 6.632 1.00 0.00 C ATOM 678 C LYS A 44 10.573 -14.053 7.360 1.00 0.00 C ATOM 679 O LYS A 44 10.152 -15.109 6.885 1.00 0.00 O ATOM 680 CB LYS A 44 13.024 -13.600 7.163 1.00 0.00 C ATOM 681 CG LYS A 44 14.136 -13.393 6.149 1.00 0.00 C ATOM 682 CD LYS A 44 15.450 -13.040 6.826 1.00 0.00 C ATOM 683 CE LYS A 44 16.089 -14.258 7.473 1.00 0.00 C ATOM 684 NZ LYS A 44 17.491 -13.989 7.899 1.00 0.00 N ATOM 0 H LYS A 44 12.205 -11.274 7.092 1.00 0.00 H new ATOM 0 HA LYS A 44 11.587 -13.476 5.570 1.00 0.00 H new ATOM 0 HB2 LYS A 44 13.234 -12.999 8.048 1.00 0.00 H new ATOM 0 HB3 LYS A 44 13.022 -14.643 7.480 1.00 0.00 H new ATOM 0 HG2 LYS A 44 14.263 -14.299 5.557 1.00 0.00 H new ATOM 0 HG3 LYS A 44 13.856 -12.597 5.458 1.00 0.00 H new ATOM 0 HD2 LYS A 44 16.135 -12.615 6.093 1.00 0.00 H new ATOM 0 HD3 LYS A 44 15.277 -12.274 7.582 1.00 0.00 H new ATOM 0 HE2 LYS A 44 15.499 -14.562 8.338 1.00 0.00 H new ATOM 0 HE3 LYS A 44 16.077 -15.091 6.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 17.891 -14.844 8.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 18.061 -13.724 7.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 17.501 -13.211 8.589 1.00 0.00 H new ATOM 698 N ASP A 45 10.141 -13.557 8.515 1.00 0.00 N ATOM 699 CA ASP A 45 9.125 -14.239 9.308 1.00 0.00 C ATOM 700 C ASP A 45 8.334 -13.243 10.150 1.00 0.00 C ATOM 701 O ASP A 45 8.549 -12.035 10.063 1.00 0.00 O ATOM 702 CB ASP A 45 9.772 -15.290 10.211 1.00 0.00 C ATOM 703 CG ASP A 45 11.099 -14.826 10.780 1.00 0.00 C ATOM 704 OD1 ASP A 45 11.445 -13.641 10.587 1.00 0.00 O ATOM 705 OD2 ASP A 45 11.792 -15.647 11.417 1.00 0.00 O ATOM 0 H ASP A 45 10.479 -12.685 8.923 1.00 0.00 H new ATOM 0 HA ASP A 45 8.437 -14.735 8.623 1.00 0.00 H new ATOM 0 HB2 ASP A 45 9.093 -15.530 11.029 1.00 0.00 H new ATOM 0 HB3 ASP A 45 9.924 -16.208 9.644 1.00 0.00 H new ATOM 710 N GLU A 46 7.418 -13.759 10.964 1.00 0.00 N ATOM 711 CA GLU A 46 6.594 -12.914 11.820 1.00 0.00 C ATOM 712 C GLU A 46 7.457 -12.143 12.815 1.00 0.00 C ATOM 713 O GLU A 46 7.159 -10.998 13.156 1.00 0.00 O ATOM 714 CB GLU A 46 5.564 -13.760 12.570 1.00 0.00 C ATOM 715 CG GLU A 46 6.178 -14.882 13.390 1.00 0.00 C ATOM 716 CD GLU A 46 5.264 -15.361 14.501 1.00 0.00 C ATOM 717 OE1 GLU A 46 4.927 -14.545 15.384 1.00 0.00 O ATOM 718 OE2 GLU A 46 4.886 -16.551 14.487 1.00 0.00 O ATOM 0 H GLU A 46 7.228 -14.758 11.048 1.00 0.00 H new ATOM 0 HA GLU A 46 6.072 -12.197 11.186 1.00 0.00 H new ATOM 0 HB2 GLU A 46 4.987 -13.113 13.230 1.00 0.00 H new ATOM 0 HB3 GLU A 46 4.865 -14.187 11.851 1.00 0.00 H new ATOM 0 HG2 GLU A 46 6.415 -15.719 12.733 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.119 -14.539 13.821 1.00 0.00 H new ATOM 725 N LYS A 47 8.528 -12.779 13.278 1.00 0.00 N ATOM 726 CA LYS A 47 9.435 -12.155 14.233 1.00 0.00 C ATOM 727 C LYS A 47 9.727 -10.710 13.843 1.00 0.00 C ATOM 728 O LYS A 47 9.811 -9.831 14.700 1.00 0.00 O ATOM 729 CB LYS A 47 10.743 -12.946 14.317 1.00 0.00 C ATOM 730 CG LYS A 47 10.566 -14.360 14.843 1.00 0.00 C ATOM 731 CD LYS A 47 11.898 -15.083 14.958 1.00 0.00 C ATOM 732 CE LYS A 47 12.696 -14.593 16.156 1.00 0.00 C ATOM 733 NZ LYS A 47 14.162 -14.754 15.949 1.00 0.00 N ATOM 0 H LYS A 47 8.789 -13.727 13.007 1.00 0.00 H new ATOM 0 HA LYS A 47 8.952 -12.158 15.210 1.00 0.00 H new ATOM 0 HB2 LYS A 47 11.196 -12.990 13.326 1.00 0.00 H new ATOM 0 HB3 LYS A 47 11.440 -12.412 14.963 1.00 0.00 H new ATOM 0 HG2 LYS A 47 10.083 -14.328 15.820 1.00 0.00 H new ATOM 0 HG3 LYS A 47 9.905 -14.916 14.178 1.00 0.00 H new ATOM 0 HD2 LYS A 47 11.725 -16.155 15.049 1.00 0.00 H new ATOM 0 HD3 LYS A 47 12.476 -14.930 14.047 1.00 0.00 H new ATOM 0 HE2 LYS A 47 12.468 -13.543 16.339 1.00 0.00 H new ATOM 0 HE3 LYS A 47 12.392 -15.145 17.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 14.602 -15.091 16.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 14.332 -15.445 15.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 14.578 -13.839 15.682 1.00 0.00 H new ATOM 747 N GLU A 48 9.879 -10.472 12.544 1.00 0.00 N ATOM 748 CA GLU A 48 10.160 -9.132 12.041 1.00 0.00 C ATOM 749 C GLU A 48 11.436 -8.574 12.665 1.00 0.00 C ATOM 750 O GLU A 48 11.461 -7.439 13.141 1.00 0.00 O ATOM 751 CB GLU A 48 8.985 -8.197 12.332 1.00 0.00 C ATOM 752 CG GLU A 48 7.713 -8.568 11.589 1.00 0.00 C ATOM 753 CD GLU A 48 6.460 -8.130 12.323 1.00 0.00 C ATOM 754 OE1 GLU A 48 6.078 -8.807 13.300 1.00 0.00 O ATOM 755 OE2 GLU A 48 5.862 -7.111 11.920 1.00 0.00 O ATOM 0 H GLU A 48 9.812 -11.189 11.821 1.00 0.00 H new ATOM 0 HA GLU A 48 10.302 -9.199 10.962 1.00 0.00 H new ATOM 0 HB2 GLU A 48 8.784 -8.202 13.403 1.00 0.00 H new ATOM 0 HB3 GLU A 48 9.267 -7.179 12.065 1.00 0.00 H new ATOM 0 HG2 GLU A 48 7.728 -8.111 10.599 1.00 0.00 H new ATOM 0 HG3 GLU A 48 7.685 -9.648 11.441 1.00 0.00 H new ATOM 762 N GLU A 49 12.493 -9.380 12.660 1.00 0.00 N ATOM 763 CA GLU A 49 13.771 -8.967 13.227 1.00 0.00 C ATOM 764 C GLU A 49 14.273 -7.689 12.562 1.00 0.00 C ATOM 765 O GLU A 49 14.617 -6.719 13.237 1.00 0.00 O ATOM 766 CB GLU A 49 14.809 -10.080 13.066 1.00 0.00 C ATOM 767 CG GLU A 49 14.392 -11.397 13.700 1.00 0.00 C ATOM 768 CD GLU A 49 15.421 -12.492 13.500 1.00 0.00 C ATOM 769 OE1 GLU A 49 16.599 -12.272 13.852 1.00 0.00 O ATOM 770 OE2 GLU A 49 15.048 -13.570 12.991 1.00 0.00 O ATOM 0 H GLU A 49 12.489 -10.322 12.270 1.00 0.00 H new ATOM 0 HA GLU A 49 13.622 -8.770 14.289 1.00 0.00 H new ATOM 0 HB2 GLU A 49 14.996 -10.241 12.004 1.00 0.00 H new ATOM 0 HB3 GLU A 49 15.750 -9.755 13.509 1.00 0.00 H new ATOM 0 HG2 GLU A 49 14.230 -11.247 14.767 1.00 0.00 H new ATOM 0 HG3 GLU A 49 13.440 -11.716 13.274 1.00 0.00 H new ATOM 777 N SER A 50 14.313 -7.696 11.233 1.00 0.00 N ATOM 778 CA SER A 50 14.778 -6.540 10.476 1.00 0.00 C ATOM 779 C SER A 50 14.060 -6.446 9.133 1.00 0.00 C ATOM 780 O SER A 50 13.728 -7.462 8.522 1.00 0.00 O ATOM 781 CB SER A 50 16.289 -6.622 10.254 1.00 0.00 C ATOM 782 OG SER A 50 16.788 -5.422 9.689 1.00 0.00 O ATOM 0 H SER A 50 14.029 -8.490 10.659 1.00 0.00 H new ATOM 0 HA SER A 50 14.551 -5.644 11.054 1.00 0.00 H new ATOM 0 HB2 SER A 50 16.789 -6.816 11.203 1.00 0.00 H new ATOM 0 HB3 SER A 50 16.518 -7.460 9.596 1.00 0.00 H new ATOM 0 HG SER A 50 17.756 -5.500 9.559 1.00 0.00 H new ATOM 788 N ILE A 51 13.823 -5.219 8.681 1.00 0.00 N ATOM 789 CA ILE A 51 13.145 -4.991 7.410 1.00 0.00 C ATOM 790 C ILE A 51 14.088 -5.223 6.235 1.00 0.00 C ATOM 791 O ILE A 51 15.172 -4.641 6.170 1.00 0.00 O ATOM 792 CB ILE A 51 12.576 -3.563 7.324 1.00 0.00 C ATOM 793 CG1 ILE A 51 11.555 -3.329 8.439 1.00 0.00 C ATOM 794 CG2 ILE A 51 11.944 -3.326 5.960 1.00 0.00 C ATOM 795 CD1 ILE A 51 11.208 -1.871 8.644 1.00 0.00 C ATOM 0 H ILE A 51 14.090 -4.368 9.175 1.00 0.00 H new ATOM 0 HA ILE A 51 12.322 -5.704 7.358 1.00 0.00 H new ATOM 0 HB ILE A 51 13.394 -2.854 7.452 1.00 0.00 H new ATOM 0 HG12 ILE A 51 10.644 -3.882 8.209 1.00 0.00 H new ATOM 0 HG13 ILE A 51 11.947 -3.735 9.371 1.00 0.00 H new ATOM 0 HG21 ILE A 51 11.546 -2.312 5.915 1.00 0.00 H new ATOM 0 HG22 ILE A 51 12.697 -3.456 5.183 1.00 0.00 H new ATOM 0 HG23 ILE A 51 11.135 -4.040 5.805 1.00 0.00 H new ATOM 0 HD11 ILE A 51 10.479 -1.780 9.449 1.00 0.00 H new ATOM 0 HD12 ILE A 51 12.109 -1.316 8.905 1.00 0.00 H new ATOM 0 HD13 ILE A 51 10.785 -1.465 7.725 1.00 0.00 H new ATOM 807 N LEU A 52 13.669 -6.075 5.306 1.00 0.00 N ATOM 808 CA LEU A 52 14.476 -6.382 4.130 1.00 0.00 C ATOM 809 C LEU A 52 14.146 -5.435 2.981 1.00 0.00 C ATOM 810 O LEU A 52 15.041 -4.875 2.348 1.00 0.00 O ATOM 811 CB LEU A 52 14.246 -7.831 3.694 1.00 0.00 C ATOM 812 CG LEU A 52 14.456 -8.897 4.770 1.00 0.00 C ATOM 813 CD1 LEU A 52 13.987 -10.255 4.274 1.00 0.00 C ATOM 814 CD2 LEU A 52 15.919 -8.954 5.184 1.00 0.00 C ATOM 0 H LEU A 52 12.775 -6.565 5.344 1.00 0.00 H new ATOM 0 HA LEU A 52 15.525 -6.250 4.395 1.00 0.00 H new ATOM 0 HB2 LEU A 52 13.227 -7.919 3.318 1.00 0.00 H new ATOM 0 HB3 LEU A 52 14.913 -8.049 2.860 1.00 0.00 H new ATOM 0 HG LEU A 52 13.862 -8.628 5.643 1.00 0.00 H new ATOM 0 HD11 LEU A 52 14.144 -11.001 5.053 1.00 0.00 H new ATOM 0 HD12 LEU A 52 12.926 -10.206 4.027 1.00 0.00 H new ATOM 0 HD13 LEU A 52 14.554 -10.533 3.385 1.00 0.00 H new ATOM 0 HD21 LEU A 52 16.051 -9.718 5.950 1.00 0.00 H new ATOM 0 HD22 LEU A 52 16.533 -9.200 4.318 1.00 0.00 H new ATOM 0 HD23 LEU A 52 16.223 -7.985 5.581 1.00 0.00 H new ATOM 826 N GLY A 53 12.855 -5.259 2.717 1.00 0.00 N ATOM 827 CA GLY A 53 12.430 -4.378 1.645 1.00 0.00 C ATOM 828 C GLY A 53 11.076 -3.751 1.913 1.00 0.00 C ATOM 829 O GLY A 53 10.252 -4.319 2.630 1.00 0.00 O ATOM 0 H GLY A 53 12.096 -5.711 3.227 1.00 0.00 H new ATOM 0 HA2 GLY A 53 13.172 -3.590 1.510 1.00 0.00 H new ATOM 0 HA3 GLY A 53 12.389 -4.940 0.712 1.00 0.00 H new ATOM 833 N SER A 54 10.845 -2.576 1.335 1.00 0.00 N ATOM 834 CA SER A 54 9.583 -1.869 1.519 1.00 0.00 C ATOM 835 C SER A 54 8.970 -1.492 0.174 1.00 0.00 C ATOM 836 O SER A 54 9.630 -0.889 -0.673 1.00 0.00 O ATOM 837 CB SER A 54 9.797 -0.613 2.366 1.00 0.00 C ATOM 838 OG SER A 54 10.746 0.251 1.766 1.00 0.00 O ATOM 0 H SER A 54 11.515 -2.094 0.736 1.00 0.00 H new ATOM 0 HA SER A 54 8.894 -2.535 2.038 1.00 0.00 H new ATOM 0 HB2 SER A 54 8.850 -0.088 2.490 1.00 0.00 H new ATOM 0 HB3 SER A 54 10.137 -0.896 3.362 1.00 0.00 H new ATOM 0 HG SER A 54 10.799 0.062 0.806 1.00 0.00 H new ATOM 844 N ILE A 55 7.705 -1.851 -0.014 1.00 0.00 N ATOM 845 CA ILE A 55 7.002 -1.549 -1.255 1.00 0.00 C ATOM 846 C ILE A 55 6.144 -0.297 -1.111 1.00 0.00 C ATOM 847 O ILE A 55 5.211 -0.243 -0.309 1.00 0.00 O ATOM 848 CB ILE A 55 6.108 -2.723 -1.695 1.00 0.00 C ATOM 849 CG1 ILE A 55 6.937 -4.002 -1.829 1.00 0.00 C ATOM 850 CG2 ILE A 55 5.413 -2.396 -3.009 1.00 0.00 C ATOM 851 CD1 ILE A 55 6.130 -5.268 -1.635 1.00 0.00 C ATOM 0 H ILE A 55 7.146 -2.351 0.677 1.00 0.00 H new ATOM 0 HA ILE A 55 7.764 -1.378 -2.015 1.00 0.00 H new ATOM 0 HB ILE A 55 5.345 -2.885 -0.933 1.00 0.00 H new ATOM 0 HG12 ILE A 55 7.400 -4.024 -2.815 1.00 0.00 H new ATOM 0 HG13 ILE A 55 7.745 -3.980 -1.098 1.00 0.00 H new ATOM 0 HG21 ILE A 55 4.785 -3.235 -3.307 1.00 0.00 H new ATOM 0 HG22 ILE A 55 4.795 -1.507 -2.882 1.00 0.00 H new ATOM 0 HG23 ILE A 55 6.161 -2.211 -3.780 1.00 0.00 H new ATOM 0 HD11 ILE A 55 6.782 -6.135 -1.744 1.00 0.00 H new ATOM 0 HD12 ILE A 55 5.688 -5.269 -0.639 1.00 0.00 H new ATOM 0 HD13 ILE A 55 5.338 -5.313 -2.383 1.00 0.00 H new ATOM 863 N PRO A 56 6.463 0.734 -1.907 1.00 0.00 N ATOM 864 CA PRO A 56 5.732 2.005 -1.888 1.00 0.00 C ATOM 865 C PRO A 56 4.325 1.872 -2.460 1.00 0.00 C ATOM 866 O PRO A 56 4.148 1.505 -3.623 1.00 0.00 O ATOM 867 CB PRO A 56 6.585 2.918 -2.772 1.00 0.00 C ATOM 868 CG PRO A 56 7.314 1.991 -3.683 1.00 0.00 C ATOM 869 CD PRO A 56 7.563 0.739 -2.887 1.00 0.00 C ATOM 0 HA PRO A 56 5.592 2.380 -0.874 1.00 0.00 H new ATOM 0 HB2 PRO A 56 5.965 3.618 -3.333 1.00 0.00 H new ATOM 0 HB3 PRO A 56 7.277 3.512 -2.176 1.00 0.00 H new ATOM 0 HG2 PRO A 56 6.725 1.776 -4.574 1.00 0.00 H new ATOM 0 HG3 PRO A 56 8.252 2.432 -4.020 1.00 0.00 H new ATOM 0 HD2 PRO A 56 7.543 -0.149 -3.518 1.00 0.00 H new ATOM 0 HD3 PRO A 56 8.537 0.761 -2.398 1.00 0.00 H new ATOM 877 N LEU A 57 3.326 2.173 -1.638 1.00 0.00 N ATOM 878 CA LEU A 57 1.933 2.088 -2.063 1.00 0.00 C ATOM 879 C LEU A 57 1.268 3.460 -2.026 1.00 0.00 C ATOM 880 O LEU A 57 0.254 3.653 -1.354 1.00 0.00 O ATOM 881 CB LEU A 57 1.166 1.112 -1.169 1.00 0.00 C ATOM 882 CG LEU A 57 1.527 -0.366 -1.323 1.00 0.00 C ATOM 883 CD1 LEU A 57 0.770 -1.209 -0.308 1.00 0.00 C ATOM 884 CD2 LEU A 57 1.234 -0.841 -2.738 1.00 0.00 C ATOM 0 H LEU A 57 3.454 2.478 -0.673 1.00 0.00 H new ATOM 0 HA LEU A 57 1.913 1.723 -3.090 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.328 1.398 -0.130 1.00 0.00 H new ATOM 0 HB3 LEU A 57 0.101 1.228 -1.369 1.00 0.00 H new ATOM 0 HG LEU A 57 2.595 -0.481 -1.136 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.040 -2.258 -0.433 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.029 -0.885 0.700 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.302 -1.089 -0.463 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.497 -1.895 -2.830 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.173 -0.711 -2.953 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.822 -0.257 -3.447 1.00 0.00 H new ATOM 896 N LEU A 58 1.843 4.410 -2.754 1.00 0.00 N ATOM 897 CA LEU A 58 1.305 5.765 -2.807 1.00 0.00 C ATOM 898 C LEU A 58 0.087 5.831 -3.723 1.00 0.00 C ATOM 899 O LEU A 58 -1.040 6.013 -3.261 1.00 0.00 O ATOM 900 CB LEU A 58 2.377 6.742 -3.294 1.00 0.00 C ATOM 901 CG LEU A 58 1.876 8.108 -3.765 1.00 0.00 C ATOM 902 CD1 LEU A 58 0.860 8.671 -2.783 1.00 0.00 C ATOM 903 CD2 LEU A 58 3.040 9.071 -3.942 1.00 0.00 C ATOM 0 H LEU A 58 2.682 4.267 -3.316 1.00 0.00 H new ATOM 0 HA LEU A 58 0.996 6.047 -1.800 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.092 6.898 -2.486 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.921 6.274 -4.115 1.00 0.00 H new ATOM 0 HG LEU A 58 1.386 7.981 -4.730 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.515 9.643 -3.134 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.012 7.990 -2.707 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.324 8.783 -1.803 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.665 10.038 -4.277 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.559 9.193 -2.991 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.732 8.673 -4.684 1.00 0.00 H new ATOM 915 N SER A 59 0.320 5.681 -5.022 1.00 0.00 N ATOM 916 CA SER A 59 -0.758 5.725 -6.003 1.00 0.00 C ATOM 917 C SER A 59 -0.742 4.480 -6.885 1.00 0.00 C ATOM 918 O SER A 59 -1.121 4.529 -8.055 1.00 0.00 O ATOM 919 CB SER A 59 -0.636 6.979 -6.870 1.00 0.00 C ATOM 920 OG SER A 59 -1.898 7.368 -7.386 1.00 0.00 O ATOM 0 H SER A 59 1.246 5.528 -5.420 1.00 0.00 H new ATOM 0 HA SER A 59 -1.705 5.755 -5.464 1.00 0.00 H new ATOM 0 HB2 SER A 59 -0.214 7.793 -6.280 1.00 0.00 H new ATOM 0 HB3 SER A 59 0.054 6.790 -7.692 1.00 0.00 H new ATOM 0 HG SER A 59 -1.793 8.173 -7.935 1.00 0.00 H new ATOM 926 N PHE A 60 -0.301 3.364 -6.313 1.00 0.00 N ATOM 927 CA PHE A 60 -0.235 2.105 -7.046 1.00 0.00 C ATOM 928 C PHE A 60 -1.632 1.612 -7.409 1.00 0.00 C ATOM 929 O PHE A 60 -2.634 2.226 -7.041 1.00 0.00 O ATOM 930 CB PHE A 60 0.493 1.045 -6.216 1.00 0.00 C ATOM 931 CG PHE A 60 1.981 1.043 -6.419 1.00 0.00 C ATOM 932 CD1 PHE A 60 2.729 2.183 -6.175 1.00 0.00 C ATOM 933 CD2 PHE A 60 2.633 -0.101 -6.854 1.00 0.00 C ATOM 934 CE1 PHE A 60 4.099 2.184 -6.362 1.00 0.00 C ATOM 935 CE2 PHE A 60 4.002 -0.106 -7.042 1.00 0.00 C ATOM 936 CZ PHE A 60 4.736 1.037 -6.795 1.00 0.00 C ATOM 0 H PHE A 60 0.016 3.306 -5.345 1.00 0.00 H new ATOM 0 HA PHE A 60 0.320 2.279 -7.968 1.00 0.00 H new ATOM 0 HB2 PHE A 60 0.279 1.211 -5.160 1.00 0.00 H new ATOM 0 HB3 PHE A 60 0.098 0.061 -6.470 1.00 0.00 H new ATOM 0 HD1 PHE A 60 2.236 3.082 -5.835 1.00 0.00 H new ATOM 0 HD2 PHE A 60 2.064 -0.998 -7.048 1.00 0.00 H new ATOM 0 HE1 PHE A 60 4.670 3.080 -6.170 1.00 0.00 H new ATOM 0 HE2 PHE A 60 4.497 -1.003 -7.382 1.00 0.00 H new ATOM 0 HZ PHE A 60 5.806 1.034 -6.940 1.00 0.00 H new ATOM 946 N ARG A 61 -1.691 0.498 -8.132 1.00 0.00 N ATOM 947 CA ARG A 61 -2.965 -0.077 -8.546 1.00 0.00 C ATOM 948 C ARG A 61 -3.050 -1.550 -8.155 1.00 0.00 C ATOM 949 O ARG A 61 -2.441 -2.409 -8.793 1.00 0.00 O ATOM 950 CB ARG A 61 -3.149 0.071 -10.058 1.00 0.00 C ATOM 951 CG ARG A 61 -4.483 -0.454 -10.563 1.00 0.00 C ATOM 952 CD ARG A 61 -4.665 -0.173 -12.047 1.00 0.00 C ATOM 953 NE ARG A 61 -5.989 -0.568 -12.520 1.00 0.00 N ATOM 954 CZ ARG A 61 -6.260 -0.860 -13.787 1.00 0.00 C ATOM 955 NH1 ARG A 61 -5.303 -0.804 -14.703 1.00 0.00 N ATOM 956 NH2 ARG A 61 -7.490 -1.211 -14.140 1.00 0.00 N ATOM 0 H ARG A 61 -0.872 -0.024 -8.443 1.00 0.00 H new ATOM 0 HA ARG A 61 -3.762 0.464 -8.035 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.058 1.124 -10.325 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -2.344 -0.458 -10.567 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -4.544 -1.528 -10.384 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -5.294 0.009 -10.001 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -4.515 0.890 -12.236 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -3.903 -0.708 -12.614 1.00 0.00 H new ATOM 0 HE ARG A 61 -6.747 -0.623 -11.840 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -4.356 -0.536 -14.435 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -5.514 -1.029 -15.675 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -8.229 -1.257 -13.438 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -7.697 -1.435 -15.113 1.00 0.00 H new ATOM 970 N VAL A 62 -3.807 -1.834 -7.100 1.00 0.00 N ATOM 971 CA VAL A 62 -3.972 -3.202 -6.623 1.00 0.00 C ATOM 972 C VAL A 62 -5.297 -3.792 -7.093 1.00 0.00 C ATOM 973 O VAL A 62 -6.352 -3.179 -6.935 1.00 0.00 O ATOM 974 CB VAL A 62 -3.908 -3.272 -5.086 1.00 0.00 C ATOM 975 CG1 VAL A 62 -3.916 -4.719 -4.617 1.00 0.00 C ATOM 976 CG2 VAL A 62 -2.676 -2.543 -4.571 1.00 0.00 C ATOM 0 H VAL A 62 -4.316 -1.135 -6.559 1.00 0.00 H new ATOM 0 HA VAL A 62 -3.150 -3.784 -7.040 1.00 0.00 H new ATOM 0 HB VAL A 62 -4.791 -2.778 -4.680 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -3.870 -4.749 -3.528 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -4.831 -5.206 -4.955 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -3.053 -5.240 -5.031 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -2.646 -2.602 -3.483 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -1.780 -3.006 -4.984 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -2.718 -1.497 -4.876 1.00 0.00 H new ATOM 986 N ALA A 63 -5.234 -4.987 -7.672 1.00 0.00 N ATOM 987 CA ALA A 63 -6.429 -5.662 -8.163 1.00 0.00 C ATOM 988 C ALA A 63 -6.106 -7.075 -8.636 1.00 0.00 C ATOM 989 O ALA A 63 -4.946 -7.411 -8.870 1.00 0.00 O ATOM 990 CB ALA A 63 -7.064 -4.858 -9.288 1.00 0.00 C ATOM 0 H ALA A 63 -4.368 -5.507 -7.812 1.00 0.00 H new ATOM 0 HA ALA A 63 -7.139 -5.737 -7.339 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -7.955 -5.374 -9.645 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -7.340 -3.870 -8.919 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -6.352 -4.754 -10.107 1.00 0.00 H new ATOM 996 N ALA A 64 -7.140 -7.898 -8.776 1.00 0.00 N ATOM 997 CA ALA A 64 -6.966 -9.274 -9.223 1.00 0.00 C ATOM 998 C ALA A 64 -6.182 -9.332 -10.529 1.00 0.00 C ATOM 999 O ALA A 64 -6.545 -8.687 -11.513 1.00 0.00 O ATOM 1000 CB ALA A 64 -8.319 -9.951 -9.387 1.00 0.00 C ATOM 0 H ALA A 64 -8.107 -7.635 -8.586 1.00 0.00 H new ATOM 0 HA ALA A 64 -6.395 -9.807 -8.463 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -8.174 -10.978 -9.721 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -8.844 -9.951 -8.432 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -8.910 -9.409 -10.126 1.00 0.00 H new ATOM 1006 N VAL A 65 -5.102 -10.108 -10.532 1.00 0.00 N ATOM 1007 CA VAL A 65 -4.266 -10.250 -11.717 1.00 0.00 C ATOM 1008 C VAL A 65 -5.113 -10.491 -12.962 1.00 0.00 C ATOM 1009 O VAL A 65 -6.247 -10.961 -12.871 1.00 0.00 O ATOM 1010 CB VAL A 65 -3.263 -11.408 -11.561 1.00 0.00 C ATOM 1011 CG1 VAL A 65 -2.235 -11.083 -10.487 1.00 0.00 C ATOM 1012 CG2 VAL A 65 -3.991 -12.704 -11.238 1.00 0.00 C ATOM 0 H VAL A 65 -4.786 -10.648 -9.726 1.00 0.00 H new ATOM 0 HA VAL A 65 -3.716 -9.315 -11.830 1.00 0.00 H new ATOM 0 HB VAL A 65 -2.737 -11.539 -12.507 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -1.535 -11.913 -10.391 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -1.692 -10.180 -10.765 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.741 -10.923 -9.535 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -3.267 -13.511 -11.131 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -4.545 -12.588 -10.306 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -4.684 -12.943 -12.045 1.00 0.00 H new ATOM 1022 N GLN A 66 -4.555 -10.166 -14.123 1.00 0.00 N ATOM 1023 CA GLN A 66 -5.260 -10.347 -15.387 1.00 0.00 C ATOM 1024 C GLN A 66 -5.122 -11.782 -15.886 1.00 0.00 C ATOM 1025 O GLN A 66 -4.242 -12.531 -15.462 1.00 0.00 O ATOM 1026 CB GLN A 66 -4.723 -9.375 -16.439 1.00 0.00 C ATOM 1027 CG GLN A 66 -5.472 -8.053 -16.484 1.00 0.00 C ATOM 1028 CD GLN A 66 -6.608 -8.061 -17.488 1.00 0.00 C ATOM 1029 OE1 GLN A 66 -7.734 -8.442 -17.166 1.00 0.00 O ATOM 1030 NE2 GLN A 66 -6.318 -7.638 -18.713 1.00 0.00 N ATOM 0 H GLN A 66 -3.617 -9.776 -14.215 1.00 0.00 H new ATOM 0 HA GLN A 66 -6.317 -10.140 -15.218 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -3.670 -9.180 -16.237 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -4.777 -9.848 -17.420 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -5.869 -7.831 -15.494 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -4.775 -7.253 -16.735 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -5.371 -7.331 -18.936 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -7.042 -7.620 -19.431 1.00 0.00 H new ATOM 1039 N PRO A 67 -6.013 -12.176 -16.808 1.00 0.00 N ATOM 1040 CA PRO A 67 -6.011 -13.523 -17.385 1.00 0.00 C ATOM 1041 C PRO A 67 -4.813 -13.762 -18.298 1.00 0.00 C ATOM 1042 O PRO A 67 -4.581 -14.882 -18.753 1.00 0.00 O ATOM 1043 CB PRO A 67 -7.313 -13.566 -18.189 1.00 0.00 C ATOM 1044 CG PRO A 67 -7.601 -12.143 -18.521 1.00 0.00 C ATOM 1045 CD PRO A 67 -7.089 -11.336 -17.359 1.00 0.00 C ATOM 0 HA PRO A 67 -5.941 -14.294 -16.618 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -7.202 -14.168 -19.091 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -8.122 -14.009 -17.608 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -7.107 -11.850 -19.447 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -8.670 -11.984 -18.666 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -6.715 -10.363 -17.679 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -7.871 -11.151 -16.623 1.00 0.00 H new ATOM 1053 N SER A 68 -4.056 -12.702 -18.562 1.00 0.00 N ATOM 1054 CA SER A 68 -2.883 -12.796 -19.423 1.00 0.00 C ATOM 1055 C SER A 68 -1.671 -12.144 -18.764 1.00 0.00 C ATOM 1056 O SER A 68 -0.994 -11.313 -19.370 1.00 0.00 O ATOM 1057 CB SER A 68 -3.162 -12.133 -20.774 1.00 0.00 C ATOM 1058 OG SER A 68 -4.172 -12.828 -21.484 1.00 0.00 O ATOM 0 H SER A 68 -4.234 -11.768 -18.192 1.00 0.00 H new ATOM 0 HA SER A 68 -2.663 -13.852 -19.582 1.00 0.00 H new ATOM 0 HB2 SER A 68 -3.469 -11.099 -20.619 1.00 0.00 H new ATOM 0 HB3 SER A 68 -2.247 -12.109 -21.367 1.00 0.00 H new ATOM 0 HG SER A 68 -4.333 -12.384 -22.343 1.00 0.00 H new ATOM 1144 N LYS A 74 -4.776 -18.836 -8.609 1.00 0.00 N ATOM 1145 CA LYS A 74 -6.022 -18.141 -8.310 1.00 0.00 C ATOM 1146 C LYS A 74 -5.857 -17.221 -7.105 1.00 0.00 C ATOM 1147 O LYS A 74 -4.795 -17.180 -6.483 1.00 0.00 O ATOM 1148 CB LYS A 74 -7.141 -19.151 -8.045 1.00 0.00 C ATOM 1149 CG LYS A 74 -7.889 -19.573 -9.298 1.00 0.00 C ATOM 1150 CD LYS A 74 -9.329 -19.948 -8.988 1.00 0.00 C ATOM 1151 CE LYS A 74 -9.850 -21.003 -9.952 1.00 0.00 C ATOM 1152 NZ LYS A 74 -9.862 -20.513 -11.358 1.00 0.00 N ATOM 0 HA LYS A 74 -6.286 -17.533 -9.175 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -6.716 -20.035 -7.571 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -7.849 -18.719 -7.338 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -7.872 -18.760 -10.024 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -7.382 -20.422 -9.757 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -9.397 -20.322 -7.966 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -9.958 -19.059 -9.045 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -9.228 -21.896 -9.884 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -10.859 -21.294 -9.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -10.317 -21.221 -11.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -10.392 -19.620 -11.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -8.885 -20.355 -11.679 1.00 0.00 H new ATOM 1166 N HIS A 75 -6.915 -16.485 -6.778 1.00 0.00 N ATOM 1167 CA HIS A 75 -6.887 -15.567 -5.645 1.00 0.00 C ATOM 1168 C HIS A 75 -5.563 -14.810 -5.592 1.00 0.00 C ATOM 1169 O HIS A 75 -4.932 -14.715 -4.539 1.00 0.00 O ATOM 1170 CB HIS A 75 -7.104 -16.330 -4.338 1.00 0.00 C ATOM 1171 CG HIS A 75 -7.993 -17.527 -4.484 1.00 0.00 C ATOM 1172 ND1 HIS A 75 -9.172 -17.506 -5.199 1.00 0.00 N ATOM 1173 CD2 HIS A 75 -7.869 -18.786 -4.003 1.00 0.00 C ATOM 1174 CE1 HIS A 75 -9.736 -18.700 -5.149 1.00 0.00 C ATOM 1175 NE2 HIS A 75 -8.964 -19.495 -4.430 1.00 0.00 N ATOM 0 H HIS A 75 -7.802 -16.507 -7.281 1.00 0.00 H new ATOM 0 HA HIS A 75 -7.693 -14.845 -5.774 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -6.137 -16.651 -3.949 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -7.536 -15.654 -3.600 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -7.059 -19.163 -3.396 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -10.669 -18.978 -5.616 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -9.151 -20.477 -4.225 1.00 0.00 H new ATOM 1184 N THR A 76 -5.148 -14.272 -6.735 1.00 0.00 N ATOM 1185 CA THR A 76 -3.900 -13.525 -6.819 1.00 0.00 C ATOM 1186 C THR A 76 -4.133 -12.125 -7.373 1.00 0.00 C ATOM 1187 O THR A 76 -4.956 -11.929 -8.268 1.00 0.00 O ATOM 1188 CB THR A 76 -2.870 -14.251 -7.705 1.00 0.00 C ATOM 1189 OG1 THR A 76 -2.757 -15.621 -7.305 1.00 0.00 O ATOM 1190 CG2 THR A 76 -1.509 -13.578 -7.615 1.00 0.00 C ATOM 0 H THR A 76 -5.659 -14.340 -7.615 1.00 0.00 H new ATOM 0 HA THR A 76 -3.508 -13.450 -5.805 1.00 0.00 H new ATOM 0 HB THR A 76 -3.215 -14.202 -8.738 1.00 0.00 H new ATOM 0 HG1 THR A 76 -3.649 -16.025 -7.265 1.00 0.00 H new ATOM 0 HG21 THR A 76 -0.798 -14.108 -8.249 1.00 0.00 H new ATOM 0 HG22 THR A 76 -1.592 -12.544 -7.949 1.00 0.00 H new ATOM 0 HG23 THR A 76 -1.160 -13.599 -6.583 1.00 0.00 H new ATOM 1198 N PHE A 77 -3.404 -11.152 -6.836 1.00 0.00 N ATOM 1199 CA PHE A 77 -3.532 -9.768 -7.277 1.00 0.00 C ATOM 1200 C PHE A 77 -2.163 -9.164 -7.579 1.00 0.00 C ATOM 1201 O PHE A 77 -1.138 -9.652 -7.102 1.00 0.00 O ATOM 1202 CB PHE A 77 -4.246 -8.935 -6.211 1.00 0.00 C ATOM 1203 CG PHE A 77 -3.818 -9.262 -4.809 1.00 0.00 C ATOM 1204 CD1 PHE A 77 -4.132 -10.487 -4.243 1.00 0.00 C ATOM 1205 CD2 PHE A 77 -3.103 -8.344 -4.057 1.00 0.00 C ATOM 1206 CE1 PHE A 77 -3.740 -10.791 -2.953 1.00 0.00 C ATOM 1207 CE2 PHE A 77 -2.707 -8.643 -2.767 1.00 0.00 C ATOM 1208 CZ PHE A 77 -3.027 -9.867 -2.214 1.00 0.00 C ATOM 0 H PHE A 77 -2.718 -11.297 -6.095 1.00 0.00 H new ATOM 0 HA PHE A 77 -4.124 -9.758 -8.192 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -4.060 -7.878 -6.402 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -5.321 -9.090 -6.300 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -4.690 -11.213 -4.816 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -2.852 -7.384 -4.484 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -3.991 -11.750 -2.523 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -2.148 -7.920 -2.192 1.00 0.00 H new ATOM 0 HZ PHE A 77 -2.720 -10.102 -1.205 1.00 0.00 H new ATOM 1218 N LYS A 78 -2.155 -8.100 -8.374 1.00 0.00 N ATOM 1219 CA LYS A 78 -0.914 -7.427 -8.741 1.00 0.00 C ATOM 1220 C LYS A 78 -0.987 -5.938 -8.419 1.00 0.00 C ATOM 1221 O LYS A 78 -2.062 -5.339 -8.449 1.00 0.00 O ATOM 1222 CB LYS A 78 -0.623 -7.625 -10.230 1.00 0.00 C ATOM 1223 CG LYS A 78 -1.707 -7.075 -11.140 1.00 0.00 C ATOM 1224 CD LYS A 78 -1.177 -6.801 -12.537 1.00 0.00 C ATOM 1225 CE LYS A 78 -2.126 -5.916 -13.330 1.00 0.00 C ATOM 1226 NZ LYS A 78 -1.626 -5.662 -14.710 1.00 0.00 N ATOM 0 H LYS A 78 -2.995 -7.684 -8.777 1.00 0.00 H new ATOM 0 HA LYS A 78 -0.105 -7.867 -8.158 1.00 0.00 H new ATOM 0 HB2 LYS A 78 0.324 -7.143 -10.474 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -0.499 -8.689 -10.429 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -2.532 -7.786 -11.196 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -2.108 -6.155 -10.715 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -0.201 -6.320 -12.469 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -1.032 -7.744 -13.064 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -3.107 -6.389 -13.381 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -2.256 -4.967 -12.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -2.301 -5.055 -15.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -0.702 -5.188 -14.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -1.526 -6.566 -15.215 1.00 0.00 H new ATOM 1240 N ALA A 79 0.163 -5.346 -8.114 1.00 0.00 N ATOM 1241 CA ALA A 79 0.229 -3.926 -7.791 1.00 0.00 C ATOM 1242 C ALA A 79 1.046 -3.165 -8.829 1.00 0.00 C ATOM 1243 O ALA A 79 2.275 -3.223 -8.829 1.00 0.00 O ATOM 1244 CB ALA A 79 0.819 -3.728 -6.403 1.00 0.00 C ATOM 0 H ALA A 79 1.062 -5.828 -8.084 1.00 0.00 H new ATOM 0 HA ALA A 79 -0.786 -3.528 -7.803 1.00 0.00 H new ATOM 0 HB1 ALA A 79 0.863 -2.663 -6.175 1.00 0.00 H new ATOM 0 HB2 ALA A 79 0.193 -4.232 -5.666 1.00 0.00 H new ATOM 0 HB3 ALA A 79 1.825 -4.147 -6.372 1.00 0.00 H new ATOM 1250 N GLU A 80 0.354 -2.452 -9.713 1.00 0.00 N ATOM 1251 CA GLU A 80 1.017 -1.680 -10.757 1.00 0.00 C ATOM 1252 C GLU A 80 0.925 -0.184 -10.470 1.00 0.00 C ATOM 1253 O GLU A 80 -0.108 0.310 -10.018 1.00 0.00 O ATOM 1254 CB GLU A 80 0.396 -1.988 -12.121 1.00 0.00 C ATOM 1255 CG GLU A 80 0.945 -1.128 -13.248 1.00 0.00 C ATOM 1256 CD GLU A 80 0.123 0.125 -13.478 1.00 0.00 C ATOM 1257 OE1 GLU A 80 0.056 0.968 -12.559 1.00 0.00 O ATOM 1258 OE2 GLU A 80 -0.453 0.264 -14.577 1.00 0.00 O ATOM 0 H GLU A 80 -0.664 -2.393 -9.727 1.00 0.00 H new ATOM 0 HA GLU A 80 2.069 -1.965 -10.771 1.00 0.00 H new ATOM 0 HB2 GLU A 80 0.567 -3.038 -12.360 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -0.683 -1.847 -12.060 1.00 0.00 H new ATOM 0 HG2 GLU A 80 1.973 -0.847 -13.018 1.00 0.00 H new ATOM 0 HG3 GLU A 80 0.973 -1.714 -14.167 1.00 0.00 H new ATOM 1265 N HIS A 81 2.013 0.532 -10.735 1.00 0.00 N ATOM 1266 CA HIS A 81 2.056 1.971 -10.506 1.00 0.00 C ATOM 1267 C HIS A 81 2.131 2.730 -11.827 1.00 0.00 C ATOM 1268 O HIS A 81 2.087 3.960 -11.851 1.00 0.00 O ATOM 1269 CB HIS A 81 3.254 2.333 -9.627 1.00 0.00 C ATOM 1270 CG HIS A 81 3.098 3.639 -8.910 1.00 0.00 C ATOM 1271 ND1 HIS A 81 4.079 4.177 -8.104 1.00 0.00 N ATOM 1272 CD2 HIS A 81 2.067 4.515 -8.881 1.00 0.00 C ATOM 1273 CE1 HIS A 81 3.658 5.327 -7.609 1.00 0.00 C ATOM 1274 NE2 HIS A 81 2.440 5.556 -8.066 1.00 0.00 N ATOM 0 H HIS A 81 2.877 0.139 -11.109 1.00 0.00 H new ATOM 0 HA HIS A 81 1.138 2.260 -9.994 1.00 0.00 H new ATOM 0 HB2 HIS A 81 3.408 1.542 -8.894 1.00 0.00 H new ATOM 0 HB3 HIS A 81 4.150 2.373 -10.247 1.00 0.00 H new ATOM 0 HD1 HIS A 81 4.988 3.753 -7.919 1.00 0.00 H new ATOM 0 HD2 HIS A 81 1.126 4.414 -9.402 1.00 0.00 H new ATOM 0 HE1 HIS A 81 4.215 5.970 -6.944 1.00 0.00 H new ATOM 1316 N ARG A 85 7.309 0.199 -11.388 1.00 0.00 N ATOM 1317 CA ARG A 85 7.269 -1.243 -11.605 1.00 0.00 C ATOM 1318 C ARG A 85 5.917 -1.817 -11.194 1.00 0.00 C ATOM 1319 O ARG A 85 5.005 -1.080 -10.817 1.00 0.00 O ATOM 1320 CB ARG A 85 8.388 -1.929 -10.819 1.00 0.00 C ATOM 1321 CG ARG A 85 7.974 -2.360 -9.421 1.00 0.00 C ATOM 1322 CD ARG A 85 9.137 -2.977 -8.661 1.00 0.00 C ATOM 1323 NE ARG A 85 10.064 -1.964 -8.164 1.00 0.00 N ATOM 1324 CZ ARG A 85 11.332 -2.215 -7.855 1.00 0.00 C ATOM 1325 NH1 ARG A 85 11.820 -3.440 -7.992 1.00 0.00 N ATOM 1326 NH2 ARG A 85 12.113 -1.240 -7.409 1.00 0.00 N ATOM 0 HA ARG A 85 7.415 -1.430 -12.669 1.00 0.00 H new ATOM 0 HB2 ARG A 85 8.727 -2.804 -11.374 1.00 0.00 H new ATOM 0 HB3 ARG A 85 9.237 -1.250 -10.744 1.00 0.00 H new ATOM 0 HG2 ARG A 85 7.595 -1.499 -8.871 1.00 0.00 H new ATOM 0 HG3 ARG A 85 7.159 -3.080 -9.488 1.00 0.00 H new ATOM 0 HD2 ARG A 85 8.754 -3.560 -7.824 1.00 0.00 H new ATOM 0 HD3 ARG A 85 9.671 -3.668 -9.313 1.00 0.00 H new ATOM 0 HE ARG A 85 9.719 -1.011 -8.048 1.00 0.00 H new ATOM 0 HH11 ARG A 85 11.222 -4.192 -8.335 1.00 0.00 H new ATOM 0 HH12 ARG A 85 12.793 -3.631 -7.754 1.00 0.00 H new ATOM 0 HH21 ARG A 85 11.741 -0.296 -7.303 1.00 0.00 H new ATOM 0 HH22 ARG A 85 13.086 -1.434 -7.172 1.00 0.00 H new ATOM 1340 N THR A 86 5.793 -3.139 -11.269 1.00 0.00 N ATOM 1341 CA THR A 86 4.553 -3.812 -10.907 1.00 0.00 C ATOM 1342 C THR A 86 4.826 -5.048 -10.058 1.00 0.00 C ATOM 1343 O THR A 86 5.558 -5.948 -10.471 1.00 0.00 O ATOM 1344 CB THR A 86 3.753 -4.228 -12.156 1.00 0.00 C ATOM 1345 OG1 THR A 86 3.419 -3.071 -12.931 1.00 0.00 O ATOM 1346 CG2 THR A 86 2.483 -4.967 -11.765 1.00 0.00 C ATOM 0 H THR A 86 6.537 -3.764 -11.578 1.00 0.00 H new ATOM 0 HA THR A 86 3.965 -3.100 -10.329 1.00 0.00 H new ATOM 0 HB THR A 86 4.374 -4.897 -12.752 1.00 0.00 H new ATOM 0 HG1 THR A 86 2.912 -3.344 -13.724 1.00 0.00 H new ATOM 0 HG21 THR A 86 1.935 -5.250 -12.664 1.00 0.00 H new ATOM 0 HG22 THR A 86 2.742 -5.863 -11.201 1.00 0.00 H new ATOM 0 HG23 THR A 86 1.859 -4.318 -11.150 1.00 0.00 H new ATOM 1354 N TYR A 87 4.233 -5.087 -8.870 1.00 0.00 N ATOM 1355 CA TYR A 87 4.415 -6.213 -7.962 1.00 0.00 C ATOM 1356 C TYR A 87 3.295 -7.235 -8.131 1.00 0.00 C ATOM 1357 O TYR A 87 2.315 -6.989 -8.835 1.00 0.00 O ATOM 1358 CB TYR A 87 4.460 -5.725 -6.513 1.00 0.00 C ATOM 1359 CG TYR A 87 5.748 -5.019 -6.152 1.00 0.00 C ATOM 1360 CD1 TYR A 87 5.891 -3.651 -6.347 1.00 0.00 C ATOM 1361 CD2 TYR A 87 6.821 -5.721 -5.617 1.00 0.00 C ATOM 1362 CE1 TYR A 87 7.066 -3.002 -6.019 1.00 0.00 C ATOM 1363 CE2 TYR A 87 7.999 -5.080 -5.286 1.00 0.00 C ATOM 1364 CZ TYR A 87 8.117 -3.721 -5.488 1.00 0.00 C ATOM 1365 OH TYR A 87 9.289 -3.079 -5.160 1.00 0.00 O ATOM 0 H TYR A 87 3.622 -4.352 -8.513 1.00 0.00 H new ATOM 0 HA TYR A 87 5.362 -6.694 -8.206 1.00 0.00 H new ATOM 0 HB2 TYR A 87 3.623 -5.048 -6.340 1.00 0.00 H new ATOM 0 HB3 TYR A 87 4.323 -6.577 -5.847 1.00 0.00 H new ATOM 0 HD1 TYR A 87 5.070 -3.085 -6.762 1.00 0.00 H new ATOM 0 HD2 TYR A 87 6.733 -6.785 -5.457 1.00 0.00 H new ATOM 0 HE1 TYR A 87 7.161 -1.938 -6.177 1.00 0.00 H new ATOM 0 HE2 TYR A 87 8.824 -5.640 -4.871 1.00 0.00 H new ATOM 0 HH TYR A 87 9.927 -3.728 -4.797 1.00 0.00 H new ATOM 1375 N PHE A 88 3.447 -8.383 -7.478 1.00 0.00 N ATOM 1376 CA PHE A 88 2.449 -9.444 -7.556 1.00 0.00 C ATOM 1377 C PHE A 88 2.379 -10.221 -6.244 1.00 0.00 C ATOM 1378 O PHE A 88 3.405 -10.554 -5.651 1.00 0.00 O ATOM 1379 CB PHE A 88 2.775 -10.396 -8.708 1.00 0.00 C ATOM 1380 CG PHE A 88 2.463 -9.827 -10.062 1.00 0.00 C ATOM 1381 CD1 PHE A 88 3.233 -8.804 -10.593 1.00 0.00 C ATOM 1382 CD2 PHE A 88 1.400 -10.315 -10.806 1.00 0.00 C ATOM 1383 CE1 PHE A 88 2.947 -8.278 -11.838 1.00 0.00 C ATOM 1384 CE2 PHE A 88 1.110 -9.793 -12.052 1.00 0.00 C ATOM 1385 CZ PHE A 88 1.886 -8.774 -12.570 1.00 0.00 C ATOM 0 H PHE A 88 4.251 -8.602 -6.890 1.00 0.00 H new ATOM 0 HA PHE A 88 1.478 -8.983 -7.738 1.00 0.00 H new ATOM 0 HB2 PHE A 88 3.833 -10.655 -8.667 1.00 0.00 H new ATOM 0 HB3 PHE A 88 2.215 -11.321 -8.574 1.00 0.00 H new ATOM 0 HD1 PHE A 88 4.066 -8.414 -10.027 1.00 0.00 H new ATOM 0 HD2 PHE A 88 0.791 -11.113 -10.407 1.00 0.00 H new ATOM 0 HE1 PHE A 88 3.553 -7.479 -12.239 1.00 0.00 H new ATOM 0 HE2 PHE A 88 0.278 -10.181 -12.620 1.00 0.00 H new ATOM 0 HZ PHE A 88 1.663 -8.366 -13.545 1.00 0.00 H new ATOM 1395 N PHE A 89 1.160 -10.505 -5.796 1.00 0.00 N ATOM 1396 CA PHE A 89 0.954 -11.240 -4.554 1.00 0.00 C ATOM 1397 C PHE A 89 -0.155 -12.276 -4.713 1.00 0.00 C ATOM 1398 O PHE A 89 -1.193 -12.002 -5.314 1.00 0.00 O ATOM 1399 CB PHE A 89 0.608 -10.277 -3.417 1.00 0.00 C ATOM 1400 CG PHE A 89 1.492 -9.063 -3.370 1.00 0.00 C ATOM 1401 CD1 PHE A 89 2.831 -9.178 -3.030 1.00 0.00 C ATOM 1402 CD2 PHE A 89 0.985 -7.808 -3.665 1.00 0.00 C ATOM 1403 CE1 PHE A 89 3.646 -8.064 -2.985 1.00 0.00 C ATOM 1404 CE2 PHE A 89 1.796 -6.690 -3.622 1.00 0.00 C ATOM 1405 CZ PHE A 89 3.129 -6.818 -3.282 1.00 0.00 C ATOM 0 H PHE A 89 0.300 -10.237 -6.275 1.00 0.00 H new ATOM 0 HA PHE A 89 1.881 -11.759 -4.311 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -0.429 -9.958 -3.525 1.00 0.00 H new ATOM 0 HB3 PHE A 89 0.681 -10.807 -2.467 1.00 0.00 H new ATOM 0 HD1 PHE A 89 3.241 -10.150 -2.798 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -0.056 -7.702 -3.932 1.00 0.00 H new ATOM 0 HE1 PHE A 89 4.687 -8.167 -2.718 1.00 0.00 H new ATOM 0 HE2 PHE A 89 1.388 -5.717 -3.854 1.00 0.00 H new ATOM 0 HZ PHE A 89 3.765 -5.946 -3.249 1.00 0.00 H new ATOM 1415 N SER A 90 0.074 -13.468 -4.170 1.00 0.00 N ATOM 1416 CA SER A 90 -0.903 -14.547 -4.255 1.00 0.00 C ATOM 1417 C SER A 90 -1.490 -14.857 -2.881 1.00 0.00 C ATOM 1418 O SER A 90 -0.777 -14.870 -1.878 1.00 0.00 O ATOM 1419 CB SER A 90 -0.256 -15.804 -4.841 1.00 0.00 C ATOM 1420 OG SER A 90 -1.075 -16.942 -4.635 1.00 0.00 O ATOM 0 H SER A 90 0.927 -13.710 -3.667 1.00 0.00 H new ATOM 0 HA SER A 90 -1.710 -14.223 -4.911 1.00 0.00 H new ATOM 0 HB2 SER A 90 -0.084 -15.664 -5.908 1.00 0.00 H new ATOM 0 HB3 SER A 90 0.718 -15.965 -4.379 1.00 0.00 H new ATOM 0 HG SER A 90 -0.641 -17.732 -5.020 1.00 0.00 H new ATOM 1426 N ALA A 91 -2.795 -15.107 -2.845 1.00 0.00 N ATOM 1427 CA ALA A 91 -3.478 -15.420 -1.596 1.00 0.00 C ATOM 1428 C ALA A 91 -3.925 -16.878 -1.564 1.00 0.00 C ATOM 1429 O ALA A 91 -4.605 -17.347 -2.476 1.00 0.00 O ATOM 1430 CB ALA A 91 -4.672 -14.496 -1.403 1.00 0.00 C ATOM 0 H ALA A 91 -3.400 -15.099 -3.666 1.00 0.00 H new ATOM 0 HA ALA A 91 -2.775 -15.265 -0.777 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -5.173 -14.740 -0.467 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -4.330 -13.461 -1.373 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -5.369 -14.624 -2.232 1.00 0.00 H new ATOM 1436 N GLU A 92 -3.536 -17.588 -0.510 1.00 0.00 N ATOM 1437 CA GLU A 92 -3.896 -18.993 -0.362 1.00 0.00 C ATOM 1438 C GLU A 92 -5.403 -19.186 -0.497 1.00 0.00 C ATOM 1439 O GLU A 92 -5.864 -20.147 -1.114 1.00 0.00 O ATOM 1440 CB GLU A 92 -3.422 -19.524 0.993 1.00 0.00 C ATOM 1441 CG GLU A 92 -1.919 -19.424 1.194 1.00 0.00 C ATOM 1442 CD GLU A 92 -1.404 -20.399 2.235 1.00 0.00 C ATOM 1443 OE1 GLU A 92 -1.757 -20.240 3.422 1.00 0.00 O ATOM 1444 OE2 GLU A 92 -0.648 -21.320 1.863 1.00 0.00 O ATOM 0 H GLU A 92 -2.972 -17.214 0.253 1.00 0.00 H new ATOM 0 HA GLU A 92 -3.403 -19.553 -1.157 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -3.924 -18.970 1.786 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -3.725 -20.567 1.091 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -1.416 -19.612 0.245 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -1.663 -18.408 1.495 1.00 0.00 H new ATOM 1451 N SER A 93 -6.166 -18.266 0.084 1.00 0.00 N ATOM 1452 CA SER A 93 -7.622 -18.336 0.033 1.00 0.00 C ATOM 1453 C SER A 93 -8.198 -17.132 -0.707 1.00 0.00 C ATOM 1454 O SER A 93 -7.600 -16.057 -0.756 1.00 0.00 O ATOM 1455 CB SER A 93 -8.200 -18.405 1.447 1.00 0.00 C ATOM 1456 OG SER A 93 -7.798 -19.594 2.105 1.00 0.00 O ATOM 0 H SER A 93 -5.800 -17.463 0.596 1.00 0.00 H new ATOM 0 HA SER A 93 -7.899 -19.240 -0.509 1.00 0.00 H new ATOM 0 HB2 SER A 93 -7.870 -17.539 2.021 1.00 0.00 H new ATOM 0 HB3 SER A 93 -9.288 -18.361 1.401 1.00 0.00 H new ATOM 0 HG SER A 93 -8.179 -19.613 3.008 1.00 0.00 H new ATOM 1462 N PRO A 94 -9.389 -17.316 -1.296 1.00 0.00 N ATOM 1463 CA PRO A 94 -10.074 -16.257 -2.043 1.00 0.00 C ATOM 1464 C PRO A 94 -10.585 -15.144 -1.135 1.00 0.00 C ATOM 1465 O PRO A 94 -10.779 -14.011 -1.576 1.00 0.00 O ATOM 1466 CB PRO A 94 -11.245 -16.989 -2.703 1.00 0.00 C ATOM 1467 CG PRO A 94 -11.499 -18.165 -1.825 1.00 0.00 C ATOM 1468 CD PRO A 94 -10.159 -18.571 -1.278 1.00 0.00 C ATOM 0 HA PRO A 94 -9.409 -15.763 -2.751 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -12.124 -16.349 -2.771 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -10.997 -17.299 -3.718 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -12.188 -17.909 -1.020 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -11.954 -18.980 -2.387 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -10.243 -18.977 -0.270 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -9.690 -19.339 -1.893 1.00 0.00 H new ATOM 1476 N GLU A 95 -10.799 -15.474 0.135 1.00 0.00 N ATOM 1477 CA GLU A 95 -11.288 -14.500 1.104 1.00 0.00 C ATOM 1478 C GLU A 95 -10.235 -13.430 1.379 1.00 0.00 C ATOM 1479 O GLU A 95 -10.563 -12.265 1.600 1.00 0.00 O ATOM 1480 CB GLU A 95 -11.675 -15.198 2.410 1.00 0.00 C ATOM 1481 CG GLU A 95 -10.513 -15.900 3.093 1.00 0.00 C ATOM 1482 CD GLU A 95 -10.919 -16.576 4.388 1.00 0.00 C ATOM 1483 OE1 GLU A 95 -11.732 -17.523 4.333 1.00 0.00 O ATOM 1484 OE2 GLU A 95 -10.425 -16.158 5.456 1.00 0.00 O ATOM 0 H GLU A 95 -10.642 -16.407 0.516 1.00 0.00 H new ATOM 0 HA GLU A 95 -12.170 -14.017 0.683 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -12.097 -14.462 3.094 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -12.459 -15.927 2.204 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -10.094 -16.644 2.415 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -9.725 -15.175 3.298 1.00 0.00 H new ATOM 1491 N GLU A 96 -8.969 -13.836 1.365 1.00 0.00 N ATOM 1492 CA GLU A 96 -7.869 -12.913 1.614 1.00 0.00 C ATOM 1493 C GLU A 96 -7.588 -12.056 0.383 1.00 0.00 C ATOM 1494 O GLU A 96 -7.478 -10.834 0.477 1.00 0.00 O ATOM 1495 CB GLU A 96 -6.607 -13.683 2.011 1.00 0.00 C ATOM 1496 CG GLU A 96 -6.474 -13.900 3.509 1.00 0.00 C ATOM 1497 CD GLU A 96 -6.811 -12.659 4.311 1.00 0.00 C ATOM 1498 OE1 GLU A 96 -5.896 -11.847 4.563 1.00 0.00 O ATOM 1499 OE2 GLU A 96 -7.992 -12.499 4.687 1.00 0.00 O ATOM 0 H GLU A 96 -8.681 -14.797 1.184 1.00 0.00 H new ATOM 0 HA GLU A 96 -8.159 -12.256 2.434 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -6.610 -14.651 1.511 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -5.732 -13.141 1.652 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -7.131 -14.714 3.814 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -5.454 -14.210 3.738 1.00 0.00 H new ATOM 1506 N GLN A 97 -7.472 -12.707 -0.770 1.00 0.00 N ATOM 1507 CA GLN A 97 -7.203 -12.006 -2.020 1.00 0.00 C ATOM 1508 C GLN A 97 -7.915 -10.657 -2.051 1.00 0.00 C ATOM 1509 O GLN A 97 -7.294 -9.622 -2.289 1.00 0.00 O ATOM 1510 CB GLN A 97 -7.643 -12.856 -3.212 1.00 0.00 C ATOM 1511 CG GLN A 97 -7.462 -12.164 -4.553 1.00 0.00 C ATOM 1512 CD GLN A 97 -8.481 -12.611 -5.583 1.00 0.00 C ATOM 1513 OE1 GLN A 97 -9.396 -13.376 -5.276 1.00 0.00 O ATOM 1514 NE2 GLN A 97 -8.328 -12.135 -6.813 1.00 0.00 N ATOM 0 H GLN A 97 -7.560 -13.719 -0.864 1.00 0.00 H new ATOM 0 HA GLN A 97 -6.129 -11.832 -2.085 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -7.075 -13.786 -3.213 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -8.693 -13.123 -3.089 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -7.540 -11.086 -4.414 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -6.459 -12.365 -4.929 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -7.555 -11.503 -7.023 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -8.983 -12.401 -7.548 1.00 0.00 H new ATOM 1523 N GLU A 98 -9.223 -10.678 -1.811 1.00 0.00 N ATOM 1524 CA GLU A 98 -10.019 -9.457 -1.813 1.00 0.00 C ATOM 1525 C GLU A 98 -9.658 -8.570 -0.625 1.00 0.00 C ATOM 1526 O GLU A 98 -9.461 -7.364 -0.775 1.00 0.00 O ATOM 1527 CB GLU A 98 -11.511 -9.794 -1.777 1.00 0.00 C ATOM 1528 CG GLU A 98 -11.995 -10.547 -3.005 1.00 0.00 C ATOM 1529 CD GLU A 98 -12.235 -9.633 -4.192 1.00 0.00 C ATOM 1530 OE1 GLU A 98 -13.349 -9.079 -4.297 1.00 0.00 O ATOM 1531 OE2 GLU A 98 -11.309 -9.474 -5.015 1.00 0.00 O ATOM 0 H GLU A 98 -9.753 -11.527 -1.613 1.00 0.00 H new ATOM 0 HA GLU A 98 -9.799 -8.912 -2.731 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -11.718 -10.392 -0.889 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -12.081 -8.870 -1.680 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -11.259 -11.303 -3.277 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -12.919 -11.073 -2.764 1.00 0.00 H new ATOM 1538 N ALA A 99 -9.573 -9.176 0.554 1.00 0.00 N ATOM 1539 CA ALA A 99 -9.235 -8.443 1.767 1.00 0.00 C ATOM 1540 C ALA A 99 -8.035 -7.529 1.540 1.00 0.00 C ATOM 1541 O ALA A 99 -8.056 -6.357 1.916 1.00 0.00 O ATOM 1542 CB ALA A 99 -8.956 -9.410 2.908 1.00 0.00 C ATOM 0 H ALA A 99 -9.734 -10.173 0.695 1.00 0.00 H new ATOM 0 HA ALA A 99 -10.088 -7.819 2.034 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -8.705 -8.848 3.808 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -9.842 -10.018 3.095 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -8.121 -10.058 2.640 1.00 0.00 H new ATOM 1548 N TRP A 100 -6.992 -8.073 0.924 1.00 0.00 N ATOM 1549 CA TRP A 100 -5.783 -7.306 0.648 1.00 0.00 C ATOM 1550 C TRP A 100 -6.046 -6.234 -0.405 1.00 0.00 C ATOM 1551 O TRP A 100 -5.825 -5.047 -0.164 1.00 0.00 O ATOM 1552 CB TRP A 100 -4.661 -8.234 0.178 1.00 0.00 C ATOM 1553 CG TRP A 100 -3.946 -8.917 1.304 1.00 0.00 C ATOM 1554 CD1 TRP A 100 -4.171 -10.180 1.773 1.00 0.00 C ATOM 1555 CD2 TRP A 100 -2.890 -8.373 2.104 1.00 0.00 C ATOM 1556 NE1 TRP A 100 -3.319 -10.454 2.815 1.00 0.00 N ATOM 1557 CE2 TRP A 100 -2.523 -9.362 3.037 1.00 0.00 C ATOM 1558 CE3 TRP A 100 -2.218 -7.148 2.121 1.00 0.00 C ATOM 1559 CZ2 TRP A 100 -1.515 -9.161 3.977 1.00 0.00 C ATOM 1560 CZ3 TRP A 100 -1.218 -6.950 3.054 1.00 0.00 C ATOM 1561 CH2 TRP A 100 -0.873 -7.952 3.971 1.00 0.00 C ATOM 0 H TRP A 100 -6.959 -9.042 0.606 1.00 0.00 H new ATOM 0 HA TRP A 100 -5.476 -6.815 1.572 1.00 0.00 H new ATOM 0 HB2 TRP A 100 -5.078 -8.988 -0.489 1.00 0.00 H new ATOM 0 HB3 TRP A 100 -3.942 -7.657 -0.403 1.00 0.00 H new ATOM 0 HD1 TRP A 100 -4.910 -10.863 1.382 1.00 0.00 H new ATOM 0 HE1 TRP A 100 -3.285 -11.329 3.338 1.00 0.00 H new ATOM 0 HE3 TRP A 100 -2.475 -6.370 1.418 1.00 0.00 H new ATOM 0 HZ2 TRP A 100 -1.249 -9.932 4.685 1.00 0.00 H new ATOM 0 HZ3 TRP A 100 -0.693 -6.006 3.077 1.00 0.00 H new ATOM 0 HH2 TRP A 100 -0.086 -7.767 4.687 1.00 0.00 H new ATOM 1572 N ILE A 101 -6.520 -6.660 -1.571 1.00 0.00 N ATOM 1573 CA ILE A 101 -6.814 -5.736 -2.659 1.00 0.00 C ATOM 1574 C ILE A 101 -7.481 -4.468 -2.137 1.00 0.00 C ATOM 1575 O ILE A 101 -7.309 -3.388 -2.702 1.00 0.00 O ATOM 1576 CB ILE A 101 -7.726 -6.384 -3.717 1.00 0.00 C ATOM 1577 CG1 ILE A 101 -6.952 -7.437 -4.514 1.00 0.00 C ATOM 1578 CG2 ILE A 101 -8.297 -5.323 -4.646 1.00 0.00 C ATOM 1579 CD1 ILE A 101 -7.838 -8.342 -5.340 1.00 0.00 C ATOM 0 H ILE A 101 -6.709 -7.639 -1.786 1.00 0.00 H new ATOM 0 HA ILE A 101 -5.861 -5.479 -3.121 1.00 0.00 H new ATOM 0 HB ILE A 101 -8.554 -6.877 -3.208 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -6.245 -6.934 -5.174 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -6.367 -8.046 -3.824 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -8.939 -5.797 -5.388 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -8.879 -4.607 -4.066 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -7.482 -4.804 -5.150 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -7.222 -9.063 -5.878 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -8.528 -8.873 -4.684 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -8.404 -7.744 -6.055 1.00 0.00 H new ATOM 1591 N GLN A 102 -8.241 -4.607 -1.056 1.00 0.00 N ATOM 1592 CA GLN A 102 -8.933 -3.472 -0.457 1.00 0.00 C ATOM 1593 C GLN A 102 -8.072 -2.813 0.615 1.00 0.00 C ATOM 1594 O GLN A 102 -8.044 -1.589 0.737 1.00 0.00 O ATOM 1595 CB GLN A 102 -10.266 -3.920 0.145 1.00 0.00 C ATOM 1596 CG GLN A 102 -11.155 -4.670 -0.833 1.00 0.00 C ATOM 1597 CD GLN A 102 -12.631 -4.473 -0.549 1.00 0.00 C ATOM 1598 OE1 GLN A 102 -13.356 -5.432 -0.281 1.00 0.00 O ATOM 1599 NE2 GLN A 102 -13.085 -3.227 -0.605 1.00 0.00 N ATOM 0 H GLN A 102 -8.393 -5.494 -0.577 1.00 0.00 H new ATOM 0 HA GLN A 102 -9.125 -2.741 -1.242 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -10.070 -4.558 1.007 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -10.802 -3.044 0.512 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -10.936 -4.335 -1.847 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -10.919 -5.733 -0.790 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -12.449 -2.462 -0.831 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -14.070 -3.034 -0.422 1.00 0.00 H new ATOM 1608 N ALA A 103 -7.371 -3.634 1.391 1.00 0.00 N ATOM 1609 CA ALA A 103 -6.508 -3.131 2.452 1.00 0.00 C ATOM 1610 C ALA A 103 -5.325 -2.359 1.878 1.00 0.00 C ATOM 1611 O ALA A 103 -5.179 -1.161 2.118 1.00 0.00 O ATOM 1612 CB ALA A 103 -6.019 -4.279 3.323 1.00 0.00 C ATOM 0 H ALA A 103 -7.384 -4.650 1.304 1.00 0.00 H new ATOM 0 HA ALA A 103 -7.091 -2.446 3.067 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -5.375 -3.889 4.111 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -6.874 -4.786 3.770 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -5.457 -4.985 2.712 1.00 0.00 H new ATOM 1618 N MET A 104 -4.484 -3.053 1.119 1.00 0.00 N ATOM 1619 CA MET A 104 -3.313 -2.432 0.510 1.00 0.00 C ATOM 1620 C MET A 104 -3.721 -1.506 -0.631 1.00 0.00 C ATOM 1621 O MET A 104 -3.047 -0.516 -0.912 1.00 0.00 O ATOM 1622 CB MET A 104 -2.350 -3.503 -0.005 1.00 0.00 C ATOM 1623 CG MET A 104 -2.848 -4.218 -1.251 1.00 0.00 C ATOM 1624 SD MET A 104 -1.507 -4.923 -2.228 1.00 0.00 S ATOM 1625 CE MET A 104 -0.658 -5.897 -0.987 1.00 0.00 C ATOM 0 H MET A 104 -4.591 -4.046 0.911 1.00 0.00 H new ATOM 0 HA MET A 104 -2.809 -1.839 1.273 1.00 0.00 H new ATOM 0 HB2 MET A 104 -1.387 -3.041 -0.222 1.00 0.00 H new ATOM 0 HB3 MET A 104 -2.181 -4.237 0.783 1.00 0.00 H new ATOM 0 HG2 MET A 104 -3.536 -5.011 -0.960 1.00 0.00 H new ATOM 0 HG3 MET A 104 -3.412 -3.517 -1.867 1.00 0.00 H new ATOM 0 HE1 MET A 104 0.188 -6.410 -1.444 1.00 0.00 H new ATOM 0 HE2 MET A 104 -0.300 -5.242 -0.193 1.00 0.00 H new ATOM 0 HE3 MET A 104 -1.345 -6.632 -0.569 1.00 0.00 H new ATOM 1635 N GLY A 105 -4.830 -1.836 -1.288 1.00 0.00 N ATOM 1636 CA GLY A 105 -5.308 -1.024 -2.392 1.00 0.00 C ATOM 1637 C GLY A 105 -5.702 0.373 -1.956 1.00 0.00 C ATOM 1638 O GLY A 105 -5.258 1.360 -2.541 1.00 0.00 O ATOM 0 H GLY A 105 -5.405 -2.651 -1.075 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -4.531 -0.958 -3.154 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -6.166 -1.513 -2.854 1.00 0.00 H new ATOM 1642 N GLU A 106 -6.539 0.456 -0.927 1.00 0.00 N ATOM 1643 CA GLU A 106 -6.994 1.744 -0.416 1.00 0.00 C ATOM 1644 C GLU A 106 -5.812 2.667 -0.137 1.00 0.00 C ATOM 1645 O GLU A 106 -5.845 3.852 -0.467 1.00 0.00 O ATOM 1646 CB GLU A 106 -7.816 1.549 0.861 1.00 0.00 C ATOM 1647 CG GLU A 106 -6.983 1.579 2.131 1.00 0.00 C ATOM 1648 CD GLU A 106 -7.830 1.491 3.386 1.00 0.00 C ATOM 1649 OE1 GLU A 106 -8.916 2.107 3.412 1.00 0.00 O ATOM 1650 OE2 GLU A 106 -7.406 0.808 4.341 1.00 0.00 O ATOM 0 H GLU A 106 -6.915 -0.352 -0.431 1.00 0.00 H new ATOM 0 HA GLU A 106 -7.622 2.207 -1.177 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -8.576 2.328 0.916 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -8.341 0.595 0.803 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -6.275 0.751 2.116 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -6.398 2.498 2.156 1.00 0.00 H new ATOM 1657 N ALA A 107 -4.769 2.115 0.474 1.00 0.00 N ATOM 1658 CA ALA A 107 -3.575 2.888 0.796 1.00 0.00 C ATOM 1659 C ALA A 107 -3.024 3.589 -0.441 1.00 0.00 C ATOM 1660 O ALA A 107 -2.458 4.677 -0.349 1.00 0.00 O ATOM 1661 CB ALA A 107 -2.514 1.988 1.412 1.00 0.00 C ATOM 0 H ALA A 107 -4.726 1.136 0.756 1.00 0.00 H new ATOM 0 HA ALA A 107 -3.852 3.653 1.521 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -1.628 2.578 1.647 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -2.904 1.538 2.325 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -2.249 1.202 0.705 1.00 0.00 H new ATOM 1667 N ALA A 108 -3.194 2.957 -1.598 1.00 0.00 N ATOM 1668 CA ALA A 108 -2.714 3.521 -2.854 1.00 0.00 C ATOM 1669 C ALA A 108 -3.708 4.531 -3.417 1.00 0.00 C ATOM 1670 O ALA A 108 -3.316 5.553 -3.981 1.00 0.00 O ATOM 1671 CB ALA A 108 -2.454 2.413 -3.864 1.00 0.00 C ATOM 0 H ALA A 108 -3.660 2.055 -1.692 1.00 0.00 H new ATOM 0 HA ALA A 108 -1.778 4.044 -2.656 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -2.096 2.848 -4.797 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -1.701 1.730 -3.470 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -3.378 1.866 -4.050 1.00 0.00 H new ATOM 1677 N ARG A 109 -4.995 4.238 -3.261 1.00 0.00 N ATOM 1678 CA ARG A 109 -6.044 5.121 -3.756 1.00 0.00 C ATOM 1679 C ARG A 109 -5.833 6.548 -3.260 1.00 0.00 C ATOM 1680 O ARG A 109 -5.308 6.767 -2.168 1.00 0.00 O ATOM 1681 CB ARG A 109 -7.418 4.614 -3.311 1.00 0.00 C ATOM 1682 CG ARG A 109 -8.048 3.630 -4.284 1.00 0.00 C ATOM 1683 CD ARG A 109 -9.058 2.730 -3.589 1.00 0.00 C ATOM 1684 NE ARG A 109 -9.989 2.121 -4.535 1.00 0.00 N ATOM 1685 CZ ARG A 109 -9.641 1.183 -5.409 1.00 0.00 C ATOM 1686 NH1 ARG A 109 -8.389 0.748 -5.455 1.00 0.00 N ATOM 1687 NH2 ARG A 109 -10.546 0.677 -6.237 1.00 0.00 N ATOM 0 H ARG A 109 -5.336 3.397 -2.796 1.00 0.00 H new ATOM 0 HA ARG A 109 -5.999 5.123 -4.845 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -7.322 4.137 -2.336 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -8.087 5.465 -3.184 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -8.539 4.176 -5.089 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -7.269 3.020 -4.742 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -8.531 1.947 -3.044 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -9.616 3.310 -2.854 1.00 0.00 H new ATOM 0 HE ARG A 109 -10.960 2.433 -4.524 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -7.691 1.134 -4.819 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -8.124 0.028 -6.127 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -11.510 1.008 -6.203 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -10.278 -0.043 -6.908 1.00 0.00 H new