USER MOD reduce.3.24.130724 H: found=0, std=0, add=652, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 656 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 81 THR OG1 : rot 122:sc= 0.146 USER MOD Set 1.2: A 83 THR OG1 : rot 132:sc= 1.11 USER MOD Set 1.3: A 86 TYR OH : rot 180:sc= 0.00456 USER MOD Set 2.1: A 17 TYR OH : rot -72:sc= 0.227 USER MOD Set 2.2: A 75 HIS : no HD1:sc= -1.22 K(o=-1,f=-3.7) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 MET CE :methyl -158:sc= -1.35 (180deg=-3.17!) USER MOD Single : A 16 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 18 THR OG1 : rot -19:sc= 0.804 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.472 K(o=-0.47,f=-2.5!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HD1:sc= -6.83! K(o=-6.8!,f=-4.2) USER MOD Single : A 28 TYR OH : rot 180:sc= -2.07 USER MOD Single : A 33 SER OG : rot -47:sc= 0.0809 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 CYS SG : rot 149:sc= 0.00199 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 ASN : amide:sc= 0 K(o=0,f=0.57) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 76 CYS SG : rot -146:sc= -1.4 USER MOD Single : A 84 MET CE :methyl -164:sc= 0 (180deg=-0.381) USER MOD Single : A 91 ASN : amide:sc= -0.726 X(o=-0.73,f=-0.62) USER MOD Single : A 112 GLN : amide:sc= -14! C(o=-14!,f=-10!) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 GLN : amide:sc= -1.3 X(o=-1.3,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 99 N LYS A 10 -3.908 3.130 7.476 1.00 0.00 N ATOM 100 CA LYS A 10 -3.885 1.699 7.199 1.00 0.00 C ATOM 101 C LYS A 10 -2.458 1.161 7.232 1.00 0.00 C ATOM 102 O LYS A 10 -1.544 1.769 6.676 1.00 0.00 O ATOM 103 CB LYS A 10 -4.517 1.412 5.835 1.00 0.00 C ATOM 104 CG LYS A 10 -4.860 -0.052 5.619 1.00 0.00 C ATOM 105 CD LYS A 10 -6.060 -0.214 4.700 1.00 0.00 C ATOM 106 CE LYS A 10 -6.595 -1.637 4.728 1.00 0.00 C ATOM 107 NZ LYS A 10 -7.507 -1.864 5.883 1.00 0.00 N ATOM 0 HA LYS A 10 -4.463 1.196 7.974 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -5.424 2.008 5.732 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -3.832 1.735 5.051 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -4.001 -0.569 5.191 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -5.070 -0.523 6.579 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -6.847 0.478 5.002 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -5.777 0.050 3.681 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -7.127 -1.843 3.799 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -5.761 -2.337 4.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -7.850 -2.846 5.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -6.993 -1.692 6.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -8.316 -1.213 5.820 1.00 0.00 H new ATOM 121 N GLU A 11 -2.275 0.019 7.887 1.00 0.00 N ATOM 122 CA GLU A 11 -0.959 -0.600 7.991 1.00 0.00 C ATOM 123 C GLU A 11 -1.079 -2.115 8.124 1.00 0.00 C ATOM 124 O GLU A 11 -2.042 -2.625 8.694 1.00 0.00 O ATOM 125 CB GLU A 11 -0.197 -0.030 9.189 1.00 0.00 C ATOM 126 CG GLU A 11 -0.501 1.433 9.464 1.00 0.00 C ATOM 127 CD GLU A 11 -1.909 1.647 9.987 1.00 0.00 C ATOM 128 OE1 GLU A 11 -2.451 0.721 10.626 1.00 0.00 O ATOM 129 OE2 GLU A 11 -2.467 2.740 9.757 1.00 0.00 O ATOM 0 H GLU A 11 -3.021 -0.496 8.354 1.00 0.00 H new ATOM 0 HA GLU A 11 -0.407 -0.376 7.078 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -0.440 -0.616 10.076 1.00 0.00 H new ATOM 0 HB3 GLU A 11 0.873 -0.144 9.016 1.00 0.00 H new ATOM 0 HG2 GLU A 11 0.215 1.819 10.190 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -0.367 2.007 8.547 1.00 0.00 H new ATOM 136 N GLY A 12 -0.091 -2.830 7.593 1.00 0.00 N ATOM 137 CA GLY A 12 -0.105 -4.279 7.662 1.00 0.00 C ATOM 138 C GLY A 12 1.004 -4.909 6.842 1.00 0.00 C ATOM 139 O GLY A 12 1.671 -4.229 6.062 1.00 0.00 O ATOM 0 H GLY A 12 0.718 -2.431 7.117 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -0.006 -4.591 8.702 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -1.068 -4.647 7.309 1.00 0.00 H new ATOM 143 N TRP A 13 1.202 -6.210 7.019 1.00 0.00 N ATOM 144 CA TRP A 13 2.240 -6.931 6.290 1.00 0.00 C ATOM 145 C TRP A 13 1.660 -7.626 5.063 1.00 0.00 C ATOM 146 O TRP A 13 0.719 -8.413 5.171 1.00 0.00 O ATOM 147 CB TRP A 13 2.913 -7.958 7.202 1.00 0.00 C ATOM 148 CG TRP A 13 3.922 -7.354 8.132 1.00 0.00 C ATOM 149 CD1 TRP A 13 3.668 -6.556 9.211 1.00 0.00 C ATOM 150 CD2 TRP A 13 5.345 -7.500 8.064 1.00 0.00 C ATOM 151 NE1 TRP A 13 4.847 -6.196 9.817 1.00 0.00 N ATOM 152 CE2 TRP A 13 5.890 -6.763 9.134 1.00 0.00 C ATOM 153 CE3 TRP A 13 6.211 -8.182 7.206 1.00 0.00 C ATOM 154 CZ2 TRP A 13 7.261 -6.690 9.364 1.00 0.00 C ATOM 155 CZ3 TRP A 13 7.571 -8.108 7.435 1.00 0.00 C ATOM 156 CH2 TRP A 13 8.086 -7.367 8.508 1.00 0.00 C ATOM 0 H TRP A 13 0.658 -6.787 7.660 1.00 0.00 H new ATOM 0 HA TRP A 13 2.985 -6.208 5.957 1.00 0.00 H new ATOM 0 HB2 TRP A 13 2.149 -8.469 7.788 1.00 0.00 H new ATOM 0 HB3 TRP A 13 3.402 -8.714 6.588 1.00 0.00 H new ATOM 0 HD1 TRP A 13 2.685 -6.253 9.539 1.00 0.00 H new ATOM 0 HE1 TRP A 13 4.932 -5.602 10.642 1.00 0.00 H new ATOM 0 HE3 TRP A 13 5.824 -8.757 6.378 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 7.660 -6.119 10.189 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 8.249 -8.630 6.776 1.00 0.00 H new ATOM 0 HH2 TRP A 13 9.154 -7.330 8.662 1.00 0.00 H new ATOM 167 N MET A 14 2.227 -7.331 3.898 1.00 0.00 N ATOM 168 CA MET A 14 1.766 -7.930 2.651 1.00 0.00 C ATOM 169 C MET A 14 2.900 -8.011 1.634 1.00 0.00 C ATOM 170 O MET A 14 3.932 -7.357 1.788 1.00 0.00 O ATOM 171 CB MET A 14 0.602 -7.123 2.072 1.00 0.00 C ATOM 172 CG MET A 14 1.019 -5.771 1.514 1.00 0.00 C ATOM 173 SD MET A 14 -0.369 -4.634 1.339 1.00 0.00 S ATOM 174 CE MET A 14 -1.710 -5.781 1.034 1.00 0.00 C ATOM 0 H MET A 14 3.006 -6.681 3.791 1.00 0.00 H new ATOM 0 HA MET A 14 1.424 -8.942 2.868 1.00 0.00 H new ATOM 0 HB2 MET A 14 0.127 -7.703 1.281 1.00 0.00 H new ATOM 0 HB3 MET A 14 -0.147 -6.971 2.850 1.00 0.00 H new ATOM 0 HG2 MET A 14 1.767 -5.327 2.170 1.00 0.00 H new ATOM 0 HG3 MET A 14 1.492 -5.913 0.542 1.00 0.00 H new ATOM 0 HE1 MET A 14 -2.526 -5.262 0.531 1.00 0.00 H new ATOM 0 HE2 MET A 14 -1.355 -6.596 0.404 1.00 0.00 H new ATOM 0 HE3 MET A 14 -2.067 -6.184 1.982 1.00 0.00 H new ATOM 184 N VAL A 15 2.702 -8.816 0.596 1.00 0.00 N ATOM 185 CA VAL A 15 3.708 -8.982 -0.446 1.00 0.00 C ATOM 186 C VAL A 15 3.344 -8.183 -1.693 1.00 0.00 C ATOM 187 O VAL A 15 2.179 -7.852 -1.913 1.00 0.00 O ATOM 188 CB VAL A 15 3.881 -10.463 -0.831 1.00 0.00 C ATOM 189 CG1 VAL A 15 4.316 -11.281 0.376 1.00 0.00 C ATOM 190 CG2 VAL A 15 2.591 -11.013 -1.421 1.00 0.00 C ATOM 0 H VAL A 15 1.854 -9.364 0.454 1.00 0.00 H new ATOM 0 HA VAL A 15 4.648 -8.609 -0.040 1.00 0.00 H new ATOM 0 HB VAL A 15 4.661 -10.535 -1.589 1.00 0.00 H new ATOM 0 HG11 VAL A 15 4.433 -12.325 0.085 1.00 0.00 H new ATOM 0 HG12 VAL A 15 5.266 -10.900 0.751 1.00 0.00 H new ATOM 0 HG13 VAL A 15 3.561 -11.205 1.158 1.00 0.00 H new ATOM 0 HG21 VAL A 15 2.731 -12.061 -1.688 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.790 -10.929 -0.686 1.00 0.00 H new ATOM 0 HG23 VAL A 15 2.327 -10.444 -2.312 1.00 0.00 H new ATOM 200 N HIS A 16 4.349 -7.877 -2.508 1.00 0.00 N ATOM 201 CA HIS A 16 4.135 -7.118 -3.735 1.00 0.00 C ATOM 202 C HIS A 16 5.223 -7.424 -4.760 1.00 0.00 C ATOM 203 O HIS A 16 6.311 -7.879 -4.407 1.00 0.00 O ATOM 204 CB HIS A 16 4.108 -5.619 -3.434 1.00 0.00 C ATOM 205 CG HIS A 16 5.469 -5.006 -3.324 1.00 0.00 C ATOM 206 ND1 HIS A 16 6.338 -5.281 -2.289 1.00 0.00 N ATOM 207 CD2 HIS A 16 6.112 -4.127 -4.128 1.00 0.00 C ATOM 208 CE1 HIS A 16 7.455 -4.597 -2.460 1.00 0.00 C ATOM 209 NE2 HIS A 16 7.344 -3.889 -3.569 1.00 0.00 N ATOM 0 H HIS A 16 5.319 -8.143 -2.341 1.00 0.00 H new ATOM 0 HA HIS A 16 3.173 -7.414 -4.153 1.00 0.00 H new ATOM 0 HB2 HIS A 16 3.551 -5.109 -4.220 1.00 0.00 H new ATOM 0 HB3 HIS A 16 3.568 -5.454 -2.502 1.00 0.00 H new ATOM 0 HD2 HIS A 16 5.728 -3.693 -5.039 1.00 0.00 H new ATOM 0 HE1 HIS A 16 8.313 -4.614 -1.804 1.00 0.00 H new ATOM 0 HE2 HIS A 16 8.057 -3.267 -3.949 1.00 0.00 H new ATOM 218 N TYR A 17 4.922 -7.171 -6.028 1.00 0.00 N ATOM 219 CA TYR A 17 5.873 -7.422 -7.104 1.00 0.00 C ATOM 220 C TYR A 17 5.746 -6.367 -8.200 1.00 0.00 C ATOM 221 O TYR A 17 4.833 -5.542 -8.182 1.00 0.00 O ATOM 222 CB TYR A 17 5.651 -8.815 -7.694 1.00 0.00 C ATOM 223 CG TYR A 17 4.299 -8.988 -8.349 1.00 0.00 C ATOM 224 CD1 TYR A 17 4.104 -8.660 -9.685 1.00 0.00 C ATOM 225 CD2 TYR A 17 3.216 -9.480 -7.631 1.00 0.00 C ATOM 226 CE1 TYR A 17 2.870 -8.815 -10.286 1.00 0.00 C ATOM 227 CE2 TYR A 17 1.978 -9.640 -8.224 1.00 0.00 C ATOM 228 CZ TYR A 17 1.811 -9.306 -9.552 1.00 0.00 C ATOM 229 OH TYR A 17 0.580 -9.464 -10.148 1.00 0.00 O ATOM 0 H TYR A 17 4.027 -6.792 -6.336 1.00 0.00 H new ATOM 0 HA TYR A 17 6.878 -7.367 -6.687 1.00 0.00 H new ATOM 0 HB2 TYR A 17 6.430 -9.017 -8.429 1.00 0.00 H new ATOM 0 HB3 TYR A 17 5.759 -9.557 -6.903 1.00 0.00 H new ATOM 0 HD1 TYR A 17 4.932 -8.277 -10.264 1.00 0.00 H new ATOM 0 HD2 TYR A 17 3.344 -9.742 -6.591 1.00 0.00 H new ATOM 0 HE1 TYR A 17 2.735 -8.553 -11.325 1.00 0.00 H new ATOM 0 HE2 TYR A 17 1.147 -10.024 -7.651 1.00 0.00 H new ATOM 0 HH TYR A 17 0.177 -8.584 -10.305 1.00 0.00 H new ATOM 239 N THR A 18 6.671 -6.402 -9.155 1.00 0.00 N ATOM 240 CA THR A 18 6.665 -5.450 -10.259 1.00 0.00 C ATOM 241 C THR A 18 6.545 -6.165 -11.600 1.00 0.00 C ATOM 242 O THR A 18 6.659 -7.389 -11.674 1.00 0.00 O ATOM 243 CB THR A 18 7.940 -4.586 -10.263 1.00 0.00 C ATOM 244 OG1 THR A 18 9.056 -5.362 -10.712 1.00 0.00 O ATOM 245 CG2 THR A 18 8.225 -4.036 -8.873 1.00 0.00 C ATOM 0 H THR A 18 7.433 -7.079 -9.186 1.00 0.00 H new ATOM 0 HA THR A 18 5.799 -4.805 -10.115 1.00 0.00 H new ATOM 0 HB THR A 18 7.783 -3.749 -10.943 1.00 0.00 H new ATOM 0 HG1 THR A 18 8.844 -6.316 -10.634 1.00 0.00 H new ATOM 0 HG21 THR A 18 9.130 -3.429 -8.900 1.00 0.00 H new ATOM 0 HG22 THR A 18 7.386 -3.422 -8.546 1.00 0.00 H new ATOM 0 HG23 THR A 18 8.363 -4.863 -8.176 1.00 0.00 H new ATOM 253 N SER A 19 6.316 -5.394 -12.658 1.00 0.00 N ATOM 254 CA SER A 19 6.178 -5.955 -13.997 1.00 0.00 C ATOM 255 C SER A 19 7.530 -6.411 -14.537 1.00 0.00 C ATOM 256 O SER A 19 7.783 -7.607 -14.675 1.00 0.00 O ATOM 257 CB SER A 19 5.559 -4.924 -14.943 1.00 0.00 C ATOM 258 OG SER A 19 5.320 -5.484 -16.223 1.00 0.00 O ATOM 0 H SER A 19 6.222 -4.379 -12.614 1.00 0.00 H new ATOM 0 HA SER A 19 5.520 -6.822 -13.935 1.00 0.00 H new ATOM 0 HB2 SER A 19 4.623 -4.557 -14.523 1.00 0.00 H new ATOM 0 HB3 SER A 19 6.225 -4.066 -15.037 1.00 0.00 H new ATOM 0 HG SER A 19 4.923 -4.805 -16.808 1.00 0.00 H new ATOM 264 N ARG A 20 8.394 -5.448 -14.841 1.00 0.00 N ATOM 265 CA ARG A 20 9.719 -5.749 -15.367 1.00 0.00 C ATOM 266 C ARG A 20 10.295 -7.000 -14.709 1.00 0.00 C ATOM 267 O ARG A 20 10.751 -7.918 -15.390 1.00 0.00 O ATOM 268 CB ARG A 20 10.661 -4.564 -15.145 1.00 0.00 C ATOM 269 CG ARG A 20 11.827 -4.522 -16.119 1.00 0.00 C ATOM 270 CD ARG A 20 12.305 -3.098 -16.356 1.00 0.00 C ATOM 271 NE ARG A 20 11.234 -2.237 -16.852 1.00 0.00 N ATOM 272 CZ ARG A 20 10.874 -2.174 -18.129 1.00 0.00 C ATOM 273 NH1 ARG A 20 11.496 -2.917 -19.034 1.00 0.00 N ATOM 274 NH2 ARG A 20 9.890 -1.366 -18.503 1.00 0.00 N ATOM 0 H ARG A 20 8.200 -4.453 -14.732 1.00 0.00 H new ATOM 0 HA ARG A 20 9.623 -5.933 -16.437 1.00 0.00 H new ATOM 0 HB2 ARG A 20 10.093 -3.638 -15.232 1.00 0.00 H new ATOM 0 HB3 ARG A 20 11.050 -4.605 -14.128 1.00 0.00 H new ATOM 0 HG2 ARG A 20 12.649 -5.123 -15.730 1.00 0.00 H new ATOM 0 HG3 ARG A 20 11.527 -4.969 -17.067 1.00 0.00 H new ATOM 0 HD2 ARG A 20 12.698 -2.688 -15.426 1.00 0.00 H new ATOM 0 HD3 ARG A 20 13.126 -3.106 -17.073 1.00 0.00 H new ATOM 0 HE ARG A 20 10.736 -1.652 -16.181 1.00 0.00 H new ATOM 0 HH11 ARG A 20 12.253 -3.539 -18.750 1.00 0.00 H new ATOM 0 HH12 ARG A 20 11.217 -2.867 -20.014 1.00 0.00 H new ATOM 0 HH21 ARG A 20 9.409 -0.793 -17.810 1.00 0.00 H new ATOM 0 HH22 ARG A 20 9.614 -1.318 -19.484 1.00 0.00 H new ATOM 288 N ASP A 21 10.269 -7.027 -13.381 1.00 0.00 N ATOM 289 CA ASP A 21 10.787 -8.165 -12.630 1.00 0.00 C ATOM 290 C ASP A 21 9.690 -8.803 -11.784 1.00 0.00 C ATOM 291 O ASP A 21 8.951 -8.112 -11.084 1.00 0.00 O ATOM 292 CB ASP A 21 11.948 -7.727 -11.735 1.00 0.00 C ATOM 293 CG ASP A 21 13.236 -7.531 -12.512 1.00 0.00 C ATOM 294 OD1 ASP A 21 13.465 -8.286 -13.479 1.00 0.00 O ATOM 295 OD2 ASP A 21 14.014 -6.623 -12.151 1.00 0.00 O ATOM 0 H ASP A 21 9.895 -6.275 -12.803 1.00 0.00 H new ATOM 0 HA ASP A 21 11.148 -8.906 -13.344 1.00 0.00 H new ATOM 0 HB2 ASP A 21 11.685 -6.796 -11.233 1.00 0.00 H new ATOM 0 HB3 ASP A 21 12.106 -8.475 -10.958 1.00 0.00 H new ATOM 300 N ASN A 22 9.589 -10.126 -11.855 1.00 0.00 N ATOM 301 CA ASN A 22 8.580 -10.858 -11.097 1.00 0.00 C ATOM 302 C ASN A 22 9.086 -11.188 -9.696 1.00 0.00 C ATOM 303 O ASN A 22 8.725 -12.215 -9.120 1.00 0.00 O ATOM 304 CB ASN A 22 8.196 -12.145 -11.830 1.00 0.00 C ATOM 305 CG ASN A 22 9.407 -12.955 -12.250 1.00 0.00 C ATOM 306 OD1 ASN A 22 10.322 -13.180 -11.457 1.00 0.00 O ATOM 307 ND2 ASN A 22 9.418 -13.397 -13.502 1.00 0.00 N ATOM 0 H ASN A 22 10.193 -10.714 -12.430 1.00 0.00 H new ATOM 0 HA ASN A 22 7.698 -10.224 -11.005 1.00 0.00 H new ATOM 0 HB2 ASN A 22 7.562 -12.753 -11.184 1.00 0.00 H new ATOM 0 HB3 ASN A 22 7.606 -11.895 -12.712 1.00 0.00 H new ATOM 0 HD21 ASN A 22 10.207 -13.947 -13.842 1.00 0.00 H new ATOM 0 HD22 ASN A 22 8.638 -13.186 -14.124 1.00 0.00 H new ATOM 314 N LEU A 23 9.924 -10.312 -9.154 1.00 0.00 N ATOM 315 CA LEU A 23 10.480 -10.509 -7.820 1.00 0.00 C ATOM 316 C LEU A 23 9.520 -10.000 -6.749 1.00 0.00 C ATOM 317 O LEU A 23 9.339 -8.793 -6.588 1.00 0.00 O ATOM 318 CB LEU A 23 11.826 -9.794 -7.696 1.00 0.00 C ATOM 319 CG LEU A 23 12.595 -10.031 -6.395 1.00 0.00 C ATOM 320 CD1 LEU A 23 13.268 -11.394 -6.413 1.00 0.00 C ATOM 321 CD2 LEU A 23 13.621 -8.929 -6.174 1.00 0.00 C ATOM 0 H LEU A 23 10.234 -9.458 -9.618 1.00 0.00 H new ATOM 0 HA LEU A 23 10.629 -11.578 -7.670 1.00 0.00 H new ATOM 0 HB2 LEU A 23 12.457 -10.103 -8.529 1.00 0.00 H new ATOM 0 HB3 LEU A 23 11.657 -8.723 -7.805 1.00 0.00 H new ATOM 0 HG LEU A 23 11.886 -10.011 -5.567 1.00 0.00 H new ATOM 0 HD11 LEU A 23 13.810 -11.544 -5.479 1.00 0.00 H new ATOM 0 HD12 LEU A 23 12.512 -12.172 -6.523 1.00 0.00 H new ATOM 0 HD13 LEU A 23 13.965 -11.445 -7.249 1.00 0.00 H new ATOM 0 HD21 LEU A 23 14.159 -9.114 -5.244 1.00 0.00 H new ATOM 0 HD22 LEU A 23 14.326 -8.917 -7.005 1.00 0.00 H new ATOM 0 HD23 LEU A 23 13.114 -7.966 -6.115 1.00 0.00 H new ATOM 333 N ARG A 24 8.910 -10.927 -6.019 1.00 0.00 N ATOM 334 CA ARG A 24 7.970 -10.571 -4.963 1.00 0.00 C ATOM 335 C ARG A 24 8.691 -10.393 -3.630 1.00 0.00 C ATOM 336 O ARG A 24 9.696 -11.052 -3.363 1.00 0.00 O ATOM 337 CB ARG A 24 6.889 -11.646 -4.830 1.00 0.00 C ATOM 338 CG ARG A 24 5.555 -11.110 -4.336 1.00 0.00 C ATOM 339 CD ARG A 24 4.391 -11.925 -4.879 1.00 0.00 C ATOM 340 NE ARG A 24 4.470 -13.327 -4.478 1.00 0.00 N ATOM 341 CZ ARG A 24 3.710 -14.284 -4.997 1.00 0.00 C ATOM 342 NH1 ARG A 24 2.818 -13.991 -5.934 1.00 0.00 N ATOM 343 NH2 ARG A 24 3.841 -15.537 -4.580 1.00 0.00 N ATOM 0 H ARG A 24 9.050 -11.930 -6.139 1.00 0.00 H new ATOM 0 HA ARG A 24 7.501 -9.624 -5.232 1.00 0.00 H new ATOM 0 HB2 ARG A 24 6.743 -12.124 -5.799 1.00 0.00 H new ATOM 0 HB3 ARG A 24 7.238 -12.417 -4.143 1.00 0.00 H new ATOM 0 HG2 ARG A 24 5.536 -11.128 -3.246 1.00 0.00 H new ATOM 0 HG3 ARG A 24 5.445 -10.069 -4.640 1.00 0.00 H new ATOM 0 HD2 ARG A 24 3.453 -11.499 -4.523 1.00 0.00 H new ATOM 0 HD3 ARG A 24 4.379 -11.859 -5.967 1.00 0.00 H new ATOM 0 HE ARG A 24 5.146 -13.585 -3.760 1.00 0.00 H new ATOM 0 HH11 ARG A 24 2.715 -13.029 -6.257 1.00 0.00 H new ATOM 0 HH12 ARG A 24 2.235 -14.728 -6.331 1.00 0.00 H new ATOM 0 HH21 ARG A 24 4.526 -15.766 -3.860 1.00 0.00 H new ATOM 0 HH22 ARG A 24 3.256 -16.271 -4.980 1.00 0.00 H new ATOM 357 N LYS A 25 8.171 -9.498 -2.797 1.00 0.00 N ATOM 358 CA LYS A 25 8.764 -9.232 -1.492 1.00 0.00 C ATOM 359 C LYS A 25 7.689 -8.887 -0.466 1.00 0.00 C ATOM 360 O LYS A 25 6.694 -8.239 -0.791 1.00 0.00 O ATOM 361 CB LYS A 25 9.775 -8.088 -1.591 1.00 0.00 C ATOM 362 CG LYS A 25 11.017 -8.442 -2.391 1.00 0.00 C ATOM 363 CD LYS A 25 11.880 -7.218 -2.651 1.00 0.00 C ATOM 364 CE LYS A 25 13.347 -7.592 -2.798 1.00 0.00 C ATOM 365 NZ LYS A 25 14.198 -6.401 -3.072 1.00 0.00 N ATOM 0 H LYS A 25 7.339 -8.944 -3.003 1.00 0.00 H new ATOM 0 HA LYS A 25 9.278 -10.135 -1.164 1.00 0.00 H new ATOM 0 HB2 LYS A 25 9.291 -7.225 -2.049 1.00 0.00 H new ATOM 0 HB3 LYS A 25 10.073 -7.790 -0.586 1.00 0.00 H new ATOM 0 HG2 LYS A 25 11.598 -9.190 -1.851 1.00 0.00 H new ATOM 0 HG3 LYS A 25 10.724 -8.890 -3.340 1.00 0.00 H new ATOM 0 HD2 LYS A 25 11.539 -6.716 -3.557 1.00 0.00 H new ATOM 0 HD3 LYS A 25 11.764 -6.509 -1.831 1.00 0.00 H new ATOM 0 HE2 LYS A 25 13.690 -8.082 -1.887 1.00 0.00 H new ATOM 0 HE3 LYS A 25 13.459 -8.312 -3.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 15.190 -6.698 -3.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 13.887 -5.948 -3.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 14.111 -5.724 -2.287 1.00 0.00 H new ATOM 379 N ARG A 26 7.897 -9.322 0.772 1.00 0.00 N ATOM 380 CA ARG A 26 6.945 -9.058 1.845 1.00 0.00 C ATOM 381 C ARG A 26 7.494 -8.016 2.814 1.00 0.00 C ATOM 382 O ARG A 26 8.592 -8.169 3.351 1.00 0.00 O ATOM 383 CB ARG A 26 6.621 -10.350 2.597 1.00 0.00 C ATOM 384 CG ARG A 26 5.403 -10.241 3.500 1.00 0.00 C ATOM 385 CD ARG A 26 4.775 -11.602 3.756 1.00 0.00 C ATOM 386 NE ARG A 26 3.987 -11.618 4.985 1.00 0.00 N ATOM 387 CZ ARG A 26 4.516 -11.514 6.199 1.00 0.00 C ATOM 388 NH1 ARG A 26 5.827 -11.386 6.345 1.00 0.00 N ATOM 389 NH2 ARG A 26 3.733 -11.537 7.270 1.00 0.00 N ATOM 0 H ARG A 26 8.716 -9.859 1.057 1.00 0.00 H new ATOM 0 HA ARG A 26 6.031 -8.667 1.398 1.00 0.00 H new ATOM 0 HB2 ARG A 26 6.456 -11.149 1.874 1.00 0.00 H new ATOM 0 HB3 ARG A 26 7.484 -10.636 3.198 1.00 0.00 H new ATOM 0 HG2 ARG A 26 5.691 -9.788 4.449 1.00 0.00 H new ATOM 0 HG3 ARG A 26 4.667 -9.580 3.042 1.00 0.00 H new ATOM 0 HD2 ARG A 26 4.138 -11.872 2.913 1.00 0.00 H new ATOM 0 HD3 ARG A 26 5.559 -12.357 3.818 1.00 0.00 H new ATOM 0 HE ARG A 26 2.975 -11.714 4.907 1.00 0.00 H new ATOM 0 HH11 ARG A 26 6.432 -11.367 5.524 1.00 0.00 H new ATOM 0 HH12 ARG A 26 6.231 -11.306 7.278 1.00 0.00 H new ATOM 0 HH21 ARG A 26 2.723 -11.635 7.162 1.00 0.00 H new ATOM 0 HH22 ARG A 26 4.141 -11.457 8.202 1.00 0.00 H new ATOM 403 N HIS A 27 6.723 -6.956 3.034 1.00 0.00 N ATOM 404 CA HIS A 27 7.132 -5.888 3.939 1.00 0.00 C ATOM 405 C HIS A 27 5.920 -5.262 4.624 1.00 0.00 C ATOM 406 O HIS A 27 4.782 -5.463 4.199 1.00 0.00 O ATOM 407 CB HIS A 27 7.912 -4.816 3.178 1.00 0.00 C ATOM 408 CG HIS A 27 8.994 -5.370 2.303 1.00 0.00 C ATOM 409 ND1 HIS A 27 9.100 -5.077 0.959 1.00 0.00 N ATOM 410 CD2 HIS A 27 10.022 -6.203 2.587 1.00 0.00 C ATOM 411 CE1 HIS A 27 10.145 -5.708 0.455 1.00 0.00 C ATOM 412 NE2 HIS A 27 10.723 -6.398 1.422 1.00 0.00 N ATOM 0 H HIS A 27 5.812 -6.814 2.598 1.00 0.00 H new ATOM 0 HA HIS A 27 7.777 -6.321 4.704 1.00 0.00 H new ATOM 0 HB2 HIS A 27 7.219 -4.241 2.564 1.00 0.00 H new ATOM 0 HB3 HIS A 27 8.354 -4.123 3.894 1.00 0.00 H new ATOM 0 HD2 HIS A 27 10.249 -6.634 3.551 1.00 0.00 H new ATOM 0 HE1 HIS A 27 10.472 -5.667 -0.574 1.00 0.00 H new ATOM 0 HE2 HIS A 27 11.554 -6.980 1.320 1.00 0.00 H new ATOM 421 N TYR A 28 6.173 -4.504 5.685 1.00 0.00 N ATOM 422 CA TYR A 28 5.103 -3.852 6.431 1.00 0.00 C ATOM 423 C TYR A 28 4.678 -2.554 5.751 1.00 0.00 C ATOM 424 O TYR A 28 5.245 -1.492 6.008 1.00 0.00 O ATOM 425 CB TYR A 28 5.552 -3.567 7.865 1.00 0.00 C ATOM 426 CG TYR A 28 4.502 -2.870 8.701 1.00 0.00 C ATOM 427 CD1 TYR A 28 3.235 -3.418 8.859 1.00 0.00 C ATOM 428 CD2 TYR A 28 4.778 -1.664 9.333 1.00 0.00 C ATOM 429 CE1 TYR A 28 2.273 -2.784 9.621 1.00 0.00 C ATOM 430 CE2 TYR A 28 3.822 -1.024 10.098 1.00 0.00 C ATOM 431 CZ TYR A 28 2.572 -1.587 10.239 1.00 0.00 C ATOM 432 OH TYR A 28 1.616 -0.954 11.000 1.00 0.00 O ATOM 0 H TYR A 28 7.109 -4.326 6.048 1.00 0.00 H new ATOM 0 HA TYR A 28 4.247 -4.526 6.453 1.00 0.00 H new ATOM 0 HB2 TYR A 28 5.822 -4.507 8.346 1.00 0.00 H new ATOM 0 HB3 TYR A 28 6.452 -2.952 7.840 1.00 0.00 H new ATOM 0 HD1 TYR A 28 2.998 -4.356 8.378 1.00 0.00 H new ATOM 0 HD2 TYR A 28 5.756 -1.219 9.224 1.00 0.00 H new ATOM 0 HE1 TYR A 28 1.292 -3.223 9.732 1.00 0.00 H new ATOM 0 HE2 TYR A 28 4.053 -0.087 10.583 1.00 0.00 H new ATOM 0 HH TYR A 28 1.986 -0.124 11.366 1.00 0.00 H new ATOM 442 N TRP A 29 3.677 -2.648 4.883 1.00 0.00 N ATOM 443 CA TRP A 29 3.175 -1.482 4.166 1.00 0.00 C ATOM 444 C TRP A 29 2.524 -0.492 5.125 1.00 0.00 C ATOM 445 O TRP A 29 1.618 -0.848 5.879 1.00 0.00 O ATOM 446 CB TRP A 29 2.170 -1.910 3.095 1.00 0.00 C ATOM 447 CG TRP A 29 2.813 -2.310 1.802 1.00 0.00 C ATOM 448 CD1 TRP A 29 3.908 -3.112 1.645 1.00 0.00 C ATOM 449 CD2 TRP A 29 2.403 -1.926 0.486 1.00 0.00 C ATOM 450 NE1 TRP A 29 4.203 -3.249 0.310 1.00 0.00 N ATOM 451 CE2 TRP A 29 3.294 -2.532 -0.422 1.00 0.00 C ATOM 452 CE3 TRP A 29 1.369 -1.130 -0.015 1.00 0.00 C ATOM 453 CZ2 TRP A 29 3.181 -2.365 -1.800 1.00 0.00 C ATOM 454 CZ3 TRP A 29 1.258 -0.965 -1.383 1.00 0.00 C ATOM 455 CH2 TRP A 29 2.159 -1.581 -2.262 1.00 0.00 C ATOM 0 H TRP A 29 3.197 -3.520 4.659 1.00 0.00 H new ATOM 0 HA TRP A 29 4.021 -0.990 3.685 1.00 0.00 H new ATOM 0 HB2 TRP A 29 1.581 -2.746 3.473 1.00 0.00 H new ATOM 0 HB3 TRP A 29 1.477 -1.090 2.909 1.00 0.00 H new ATOM 0 HD1 TRP A 29 4.460 -3.571 2.452 1.00 0.00 H new ATOM 0 HE1 TRP A 29 4.974 -3.796 -0.074 1.00 0.00 H new ATOM 0 HE3 TRP A 29 0.669 -0.652 0.655 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 3.875 -2.837 -2.480 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 0.464 -0.351 -1.781 1.00 0.00 H new ATOM 0 HH2 TRP A 29 2.044 -1.434 -3.326 1.00 0.00 H new ATOM 466 N ARG A 30 2.991 0.752 5.091 1.00 0.00 N ATOM 467 CA ARG A 30 2.454 1.794 5.959 1.00 0.00 C ATOM 468 C ARG A 30 1.753 2.874 5.142 1.00 0.00 C ATOM 469 O ARG A 30 2.321 3.418 4.194 1.00 0.00 O ATOM 470 CB ARG A 30 3.573 2.417 6.795 1.00 0.00 C ATOM 471 CG ARG A 30 3.093 3.007 8.111 1.00 0.00 C ATOM 472 CD ARG A 30 3.077 1.963 9.217 1.00 0.00 C ATOM 473 NE ARG A 30 3.335 2.551 10.529 1.00 0.00 N ATOM 474 CZ ARG A 30 2.514 3.410 11.124 1.00 0.00 C ATOM 475 NH1 ARG A 30 1.389 3.778 10.527 1.00 0.00 N ATOM 476 NH2 ARG A 30 2.819 3.901 12.318 1.00 0.00 N ATOM 0 H ARG A 30 3.740 1.063 4.472 1.00 0.00 H new ATOM 0 HA ARG A 30 1.723 1.336 6.626 1.00 0.00 H new ATOM 0 HB2 ARG A 30 4.327 1.658 7.001 1.00 0.00 H new ATOM 0 HB3 ARG A 30 4.059 3.199 6.211 1.00 0.00 H new ATOM 0 HG2 ARG A 30 3.743 3.834 8.399 1.00 0.00 H new ATOM 0 HG3 ARG A 30 2.092 3.418 7.983 1.00 0.00 H new ATOM 0 HD2 ARG A 30 2.109 1.462 9.228 1.00 0.00 H new ATOM 0 HD3 ARG A 30 3.828 1.201 9.007 1.00 0.00 H new ATOM 0 HE ARG A 30 4.192 2.288 11.015 1.00 0.00 H new ATOM 0 HH11 ARG A 30 1.152 3.402 9.609 1.00 0.00 H new ATOM 0 HH12 ARG A 30 0.760 4.437 10.986 1.00 0.00 H new ATOM 0 HH21 ARG A 30 3.684 3.619 12.780 1.00 0.00 H new ATOM 0 HH22 ARG A 30 2.189 4.560 12.774 1.00 0.00 H new ATOM 490 N LEU A 31 0.515 3.181 5.515 1.00 0.00 N ATOM 491 CA LEU A 31 -0.265 4.196 4.817 1.00 0.00 C ATOM 492 C LEU A 31 -0.804 5.237 5.793 1.00 0.00 C ATOM 493 O LEU A 31 -1.360 4.894 6.837 1.00 0.00 O ATOM 494 CB LEU A 31 -1.423 3.545 4.057 1.00 0.00 C ATOM 495 CG LEU A 31 -2.379 4.501 3.343 1.00 0.00 C ATOM 496 CD1 LEU A 31 -1.640 5.299 2.279 1.00 0.00 C ATOM 497 CD2 LEU A 31 -3.539 3.734 2.727 1.00 0.00 C ATOM 0 H LEU A 31 0.030 2.741 6.297 1.00 0.00 H new ATOM 0 HA LEU A 31 0.392 4.698 4.106 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -1.007 2.860 3.318 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -2.000 2.944 4.760 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.781 5.199 4.078 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.336 5.974 1.781 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.844 5.879 2.746 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.210 4.617 1.546 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.209 4.431 2.223 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.156 3.013 2.005 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.085 3.208 3.511 1.00 0.00 H new ATOM 509 N ASP A 32 -0.637 6.508 5.447 1.00 0.00 N ATOM 510 CA ASP A 32 -1.109 7.599 6.291 1.00 0.00 C ATOM 511 C ASP A 32 -1.769 8.689 5.453 1.00 0.00 C ATOM 512 O ASP A 32 -1.924 8.545 4.240 1.00 0.00 O ATOM 513 CB ASP A 32 0.050 8.189 7.095 1.00 0.00 C ATOM 514 CG ASP A 32 1.354 8.183 6.321 1.00 0.00 C ATOM 515 OD1 ASP A 32 1.817 7.085 5.946 1.00 0.00 O ATOM 516 OD2 ASP A 32 1.910 9.277 6.088 1.00 0.00 O ATOM 0 H ASP A 32 -0.178 6.809 4.587 1.00 0.00 H new ATOM 0 HA ASP A 32 -1.851 7.196 6.980 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -0.194 9.212 7.382 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.175 7.621 8.017 1.00 0.00 H new ATOM 521 N SER A 33 -2.157 9.779 6.107 1.00 0.00 N ATOM 522 CA SER A 33 -2.805 10.892 5.423 1.00 0.00 C ATOM 523 C SER A 33 -1.773 11.790 4.748 1.00 0.00 C ATOM 524 O SER A 33 -2.087 12.895 4.306 1.00 0.00 O ATOM 525 CB SER A 33 -3.641 11.709 6.410 1.00 0.00 C ATOM 526 OG SER A 33 -4.636 12.459 5.737 1.00 0.00 O ATOM 0 H SER A 33 -2.034 9.915 7.110 1.00 0.00 H new ATOM 0 HA SER A 33 -3.461 10.481 4.656 1.00 0.00 H new ATOM 0 HB2 SER A 33 -4.111 11.042 7.133 1.00 0.00 H new ATOM 0 HB3 SER A 33 -2.992 12.381 6.972 1.00 0.00 H new ATOM 0 HG SER A 33 -4.237 12.916 4.968 1.00 0.00 H new ATOM 532 N LYS A 34 -0.537 11.307 4.673 1.00 0.00 N ATOM 533 CA LYS A 34 0.544 12.063 4.051 1.00 0.00 C ATOM 534 C LYS A 34 1.087 11.331 2.828 1.00 0.00 C ATOM 535 O LYS A 34 0.962 11.810 1.701 1.00 0.00 O ATOM 536 CB LYS A 34 1.671 12.302 5.058 1.00 0.00 C ATOM 537 CG LYS A 34 1.205 12.948 6.352 1.00 0.00 C ATOM 538 CD LYS A 34 1.170 14.463 6.237 1.00 0.00 C ATOM 539 CE LYS A 34 0.736 15.110 7.543 1.00 0.00 C ATOM 540 NZ LYS A 34 1.879 15.288 8.481 1.00 0.00 N ATOM 0 H LYS A 34 -0.259 10.395 5.035 1.00 0.00 H new ATOM 0 HA LYS A 34 0.143 13.024 3.728 1.00 0.00 H new ATOM 0 HB2 LYS A 34 2.149 11.350 5.289 1.00 0.00 H new ATOM 0 HB3 LYS A 34 2.429 12.936 4.598 1.00 0.00 H new ATOM 0 HG2 LYS A 34 0.212 12.578 6.607 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.871 12.659 7.165 1.00 0.00 H new ATOM 0 HD2 LYS A 34 2.157 14.831 5.958 1.00 0.00 H new ATOM 0 HD3 LYS A 34 0.485 14.753 5.440 1.00 0.00 H new ATOM 0 HE2 LYS A 34 0.283 16.079 7.335 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -0.030 14.495 8.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 1.542 15.732 9.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 2.296 14.361 8.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 2.599 15.896 8.040 1.00 0.00 H new ATOM 554 N CYS A 35 1.688 10.169 3.059 1.00 0.00 N ATOM 555 CA CYS A 35 2.250 9.371 1.975 1.00 0.00 C ATOM 556 C CYS A 35 2.371 7.907 2.385 1.00 0.00 C ATOM 557 O CYS A 35 2.384 7.582 3.573 1.00 0.00 O ATOM 558 CB CYS A 35 3.620 9.915 1.570 1.00 0.00 C ATOM 559 SG CYS A 35 4.731 10.227 2.962 1.00 0.00 S ATOM 0 H CYS A 35 1.799 9.759 3.986 1.00 0.00 H new ATOM 0 HA CYS A 35 1.575 9.436 1.121 1.00 0.00 H new ATOM 0 HB2 CYS A 35 4.095 9.206 0.892 1.00 0.00 H new ATOM 0 HB3 CYS A 35 3.481 10.843 1.015 1.00 0.00 H new ATOM 0 HG CYS A 35 5.961 10.043 2.585 1.00 0.00 H new ATOM 565 N LEU A 36 2.459 7.026 1.394 1.00 0.00 N ATOM 566 CA LEU A 36 2.577 5.595 1.651 1.00 0.00 C ATOM 567 C LEU A 36 4.040 5.189 1.806 1.00 0.00 C ATOM 568 O LEU A 36 4.793 5.157 0.833 1.00 0.00 O ATOM 569 CB LEU A 36 1.933 4.798 0.516 1.00 0.00 C ATOM 570 CG LEU A 36 2.364 3.336 0.392 1.00 0.00 C ATOM 571 CD1 LEU A 36 1.807 2.516 1.546 1.00 0.00 C ATOM 572 CD2 LEU A 36 1.915 2.758 -0.941 1.00 0.00 C ATOM 0 H LEU A 36 2.451 7.278 0.406 1.00 0.00 H new ATOM 0 HA LEU A 36 2.056 5.374 2.583 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.851 4.827 0.647 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.153 5.302 -0.425 1.00 0.00 H new ATOM 0 HG LEU A 36 3.452 3.293 0.435 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.124 1.478 1.441 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.179 2.916 2.489 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.718 2.566 1.535 1.00 0.00 H new ATOM 0 HD21 LEU A 36 2.231 1.717 -1.011 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.829 2.814 -1.014 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.363 3.329 -1.754 1.00 0.00 H new ATOM 584 N THR A 37 4.435 4.877 3.037 1.00 0.00 N ATOM 585 CA THR A 37 5.806 4.472 3.320 1.00 0.00 C ATOM 586 C THR A 37 5.893 2.973 3.582 1.00 0.00 C ATOM 587 O THR A 37 4.933 2.357 4.046 1.00 0.00 O ATOM 588 CB THR A 37 6.376 5.229 4.534 1.00 0.00 C ATOM 589 OG1 THR A 37 6.063 6.623 4.434 1.00 0.00 O ATOM 590 CG2 THR A 37 7.883 5.047 4.627 1.00 0.00 C ATOM 0 H THR A 37 3.824 4.897 3.854 1.00 0.00 H new ATOM 0 HA THR A 37 6.397 4.718 2.438 1.00 0.00 H new ATOM 0 HB THR A 37 5.921 4.819 5.436 1.00 0.00 H new ATOM 0 HG1 THR A 37 6.428 7.097 5.211 1.00 0.00 H new ATOM 0 HG21 THR A 37 8.262 5.591 5.492 1.00 0.00 H new ATOM 0 HG22 THR A 37 8.116 3.987 4.734 1.00 0.00 H new ATOM 0 HG23 THR A 37 8.353 5.432 3.722 1.00 0.00 H new ATOM 598 N LEU A 38 7.049 2.392 3.284 1.00 0.00 N ATOM 599 CA LEU A 38 7.263 0.963 3.489 1.00 0.00 C ATOM 600 C LEU A 38 8.302 0.718 4.578 1.00 0.00 C ATOM 601 O LEU A 38 9.072 1.613 4.928 1.00 0.00 O ATOM 602 CB LEU A 38 7.709 0.301 2.184 1.00 0.00 C ATOM 603 CG LEU A 38 6.592 -0.232 1.286 1.00 0.00 C ATOM 604 CD1 LEU A 38 5.973 0.897 0.477 1.00 0.00 C ATOM 605 CD2 LEU A 38 7.122 -1.322 0.366 1.00 0.00 C ATOM 0 H LEU A 38 7.853 2.888 2.899 1.00 0.00 H new ATOM 0 HA LEU A 38 6.319 0.522 3.808 1.00 0.00 H new ATOM 0 HB2 LEU A 38 8.292 1.024 1.614 1.00 0.00 H new ATOM 0 HB3 LEU A 38 8.377 -0.525 2.429 1.00 0.00 H new ATOM 0 HG LEU A 38 5.817 -0.664 1.920 1.00 0.00 H new ATOM 0 HD11 LEU A 38 5.180 0.499 -0.156 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.557 1.644 1.153 1.00 0.00 H new ATOM 0 HD13 LEU A 38 6.738 1.359 -0.147 1.00 0.00 H new ATOM 0 HD21 LEU A 38 6.314 -1.690 -0.266 1.00 0.00 H new ATOM 0 HD22 LEU A 38 7.916 -0.915 -0.260 1.00 0.00 H new ATOM 0 HD23 LEU A 38 7.517 -2.143 0.964 1.00 0.00 H new ATOM 617 N PHE A 39 8.321 -0.500 5.108 1.00 0.00 N ATOM 618 CA PHE A 39 9.267 -0.863 6.156 1.00 0.00 C ATOM 619 C PHE A 39 9.673 -2.330 6.039 1.00 0.00 C ATOM 620 O PHE A 39 8.822 -3.213 5.937 1.00 0.00 O ATOM 621 CB PHE A 39 8.659 -0.600 7.536 1.00 0.00 C ATOM 622 CG PHE A 39 8.679 0.848 7.933 1.00 0.00 C ATOM 623 CD1 PHE A 39 7.792 1.748 7.364 1.00 0.00 C ATOM 624 CD2 PHE A 39 9.584 1.309 8.875 1.00 0.00 C ATOM 625 CE1 PHE A 39 7.808 3.082 7.728 1.00 0.00 C ATOM 626 CE2 PHE A 39 9.604 2.641 9.243 1.00 0.00 C ATOM 627 CZ PHE A 39 8.715 3.529 8.668 1.00 0.00 C ATOM 0 H PHE A 39 7.692 -1.253 4.829 1.00 0.00 H new ATOM 0 HA PHE A 39 10.158 -0.246 6.035 1.00 0.00 H new ATOM 0 HB2 PHE A 39 7.629 -0.957 7.545 1.00 0.00 H new ATOM 0 HB3 PHE A 39 9.204 -1.180 8.281 1.00 0.00 H new ATOM 0 HD1 PHE A 39 7.080 1.404 6.628 1.00 0.00 H new ATOM 0 HD2 PHE A 39 10.282 0.620 9.327 1.00 0.00 H new ATOM 0 HE1 PHE A 39 7.112 3.774 7.277 1.00 0.00 H new ATOM 0 HE2 PHE A 39 10.314 2.988 9.979 1.00 0.00 H new ATOM 0 HZ PHE A 39 8.730 4.571 8.953 1.00 0.00 H new ATOM 637 N GLN A 40 10.979 -2.579 6.052 1.00 0.00 N ATOM 638 CA GLN A 40 11.497 -3.937 5.945 1.00 0.00 C ATOM 639 C GLN A 40 10.950 -4.819 7.063 1.00 0.00 C ATOM 640 O GLN A 40 10.613 -5.981 6.841 1.00 0.00 O ATOM 641 CB GLN A 40 13.026 -3.927 5.991 1.00 0.00 C ATOM 642 CG GLN A 40 13.668 -3.325 4.751 1.00 0.00 C ATOM 643 CD GLN A 40 15.148 -3.636 4.651 1.00 0.00 C ATOM 644 OE1 GLN A 40 15.993 -2.793 4.952 1.00 0.00 O ATOM 645 NE2 GLN A 40 15.471 -4.852 4.225 1.00 0.00 N ATOM 0 H GLN A 40 11.696 -1.859 6.135 1.00 0.00 H new ATOM 0 HA GLN A 40 11.171 -4.348 4.990 1.00 0.00 H new ATOM 0 HB2 GLN A 40 13.351 -3.366 6.867 1.00 0.00 H new ATOM 0 HB3 GLN A 40 13.384 -4.949 6.116 1.00 0.00 H new ATOM 0 HG2 GLN A 40 13.160 -3.703 3.864 1.00 0.00 H new ATOM 0 HG3 GLN A 40 13.528 -2.244 4.762 1.00 0.00 H new ATOM 0 HE21 GLN A 40 14.738 -5.520 3.986 1.00 0.00 H new ATOM 0 HE22 GLN A 40 16.452 -5.118 4.137 1.00 0.00 H new ATOM 654 N ASN A 41 10.864 -4.257 8.264 1.00 0.00 N ATOM 655 CA ASN A 41 10.357 -4.993 9.417 1.00 0.00 C ATOM 656 C ASN A 41 10.168 -4.066 10.614 1.00 0.00 C ATOM 657 O ASN A 41 10.730 -2.972 10.659 1.00 0.00 O ATOM 658 CB ASN A 41 11.315 -6.128 9.784 1.00 0.00 C ATOM 659 CG ASN A 41 11.014 -6.720 11.148 1.00 0.00 C ATOM 660 OD1 ASN A 41 9.958 -7.317 11.359 1.00 0.00 O ATOM 661 ND2 ASN A 41 11.944 -6.557 12.082 1.00 0.00 N ATOM 0 H ASN A 41 11.138 -3.295 8.464 1.00 0.00 H new ATOM 0 HA ASN A 41 9.388 -5.415 9.150 1.00 0.00 H new ATOM 0 HB2 ASN A 41 11.252 -6.912 9.029 1.00 0.00 H new ATOM 0 HB3 ASN A 41 12.339 -5.754 9.771 1.00 0.00 H new ATOM 0 HD21 ASN A 41 11.798 -6.934 13.019 1.00 0.00 H new ATOM 0 HD22 ASN A 41 12.805 -6.055 11.863 1.00 0.00 H new ATOM 755 N TYR A 48 12.166 1.571 4.133 1.00 0.00 N ATOM 756 CA TYR A 48 12.413 0.937 2.844 1.00 0.00 C ATOM 757 C TYR A 48 12.295 1.949 1.708 1.00 0.00 C ATOM 758 O TYR A 48 13.298 2.388 1.145 1.00 0.00 O ATOM 759 CB TYR A 48 11.430 -0.214 2.621 1.00 0.00 C ATOM 760 CG TYR A 48 11.584 -0.891 1.278 1.00 0.00 C ATOM 761 CD1 TYR A 48 12.809 -1.409 0.876 1.00 0.00 C ATOM 762 CD2 TYR A 48 10.506 -1.012 0.410 1.00 0.00 C ATOM 763 CE1 TYR A 48 12.956 -2.028 -0.350 1.00 0.00 C ATOM 764 CE2 TYR A 48 10.642 -1.630 -0.817 1.00 0.00 C ATOM 765 CZ TYR A 48 11.869 -2.137 -1.193 1.00 0.00 C ATOM 766 OH TYR A 48 12.010 -2.752 -2.415 1.00 0.00 O ATOM 0 HA TYR A 48 13.429 0.542 2.851 1.00 0.00 H new ATOM 0 HB2 TYR A 48 11.566 -0.954 3.409 1.00 0.00 H new ATOM 0 HB3 TYR A 48 10.412 0.166 2.712 1.00 0.00 H new ATOM 0 HD1 TYR A 48 13.661 -1.326 1.534 1.00 0.00 H new ATOM 0 HD2 TYR A 48 9.544 -0.615 0.700 1.00 0.00 H new ATOM 0 HE1 TYR A 48 13.916 -2.424 -0.647 1.00 0.00 H new ATOM 0 HE2 TYR A 48 9.793 -1.716 -1.479 1.00 0.00 H new ATOM 0 HH TYR A 48 11.150 -2.747 -2.885 1.00 0.00 H new ATOM 776 N LYS A 49 11.061 2.315 1.377 1.00 0.00 N ATOM 777 CA LYS A 49 10.809 3.277 0.310 1.00 0.00 C ATOM 778 C LYS A 49 9.610 4.158 0.645 1.00 0.00 C ATOM 779 O LYS A 49 8.768 3.791 1.464 1.00 0.00 O ATOM 780 CB LYS A 49 10.566 2.549 -1.014 1.00 0.00 C ATOM 781 CG LYS A 49 11.822 2.371 -1.849 1.00 0.00 C ATOM 782 CD LYS A 49 12.498 1.040 -1.564 1.00 0.00 C ATOM 783 CE LYS A 49 13.615 0.758 -2.557 1.00 0.00 C ATOM 784 NZ LYS A 49 14.804 1.622 -2.313 1.00 0.00 N ATOM 0 H LYS A 49 10.220 1.960 1.832 1.00 0.00 H new ATOM 0 HA LYS A 49 11.689 3.913 0.212 1.00 0.00 H new ATOM 0 HB2 LYS A 49 10.136 1.569 -0.807 1.00 0.00 H new ATOM 0 HB3 LYS A 49 9.829 3.104 -1.595 1.00 0.00 H new ATOM 0 HG2 LYS A 49 11.568 2.432 -2.907 1.00 0.00 H new ATOM 0 HG3 LYS A 49 12.517 3.185 -1.641 1.00 0.00 H new ATOM 0 HD2 LYS A 49 12.902 1.046 -0.552 1.00 0.00 H new ATOM 0 HD3 LYS A 49 11.760 0.239 -1.608 1.00 0.00 H new ATOM 0 HE2 LYS A 49 13.907 -0.290 -2.488 1.00 0.00 H new ATOM 0 HE3 LYS A 49 13.250 0.921 -3.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 15.543 1.400 -3.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 14.531 2.621 -2.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 15.168 1.448 -1.354 1.00 0.00 H new ATOM 798 N GLU A 50 9.539 5.321 0.006 1.00 0.00 N ATOM 799 CA GLU A 50 8.442 6.254 0.236 1.00 0.00 C ATOM 800 C GLU A 50 7.614 6.445 -1.031 1.00 0.00 C ATOM 801 O GLU A 50 8.160 6.599 -2.124 1.00 0.00 O ATOM 802 CB GLU A 50 8.982 7.604 0.713 1.00 0.00 C ATOM 803 CG GLU A 50 9.150 7.694 2.221 1.00 0.00 C ATOM 804 CD GLU A 50 9.126 9.123 2.726 1.00 0.00 C ATOM 805 OE1 GLU A 50 8.304 9.917 2.224 1.00 0.00 O ATOM 806 OE2 GLU A 50 9.931 9.447 3.625 1.00 0.00 O ATOM 0 H GLU A 50 10.228 5.640 -0.675 1.00 0.00 H new ATOM 0 HA GLU A 50 7.799 5.834 1.009 1.00 0.00 H new ATOM 0 HB2 GLU A 50 9.945 7.789 0.237 1.00 0.00 H new ATOM 0 HB3 GLU A 50 8.306 8.393 0.383 1.00 0.00 H new ATOM 0 HG2 GLU A 50 8.355 7.128 2.706 1.00 0.00 H new ATOM 0 HG3 GLU A 50 10.093 7.228 2.506 1.00 0.00 H new ATOM 813 N ILE A 51 6.294 6.432 -0.876 1.00 0.00 N ATOM 814 CA ILE A 51 5.391 6.604 -2.008 1.00 0.00 C ATOM 815 C ILE A 51 4.369 7.702 -1.733 1.00 0.00 C ATOM 816 O ILE A 51 3.320 7.471 -1.133 1.00 0.00 O ATOM 817 CB ILE A 51 4.647 5.296 -2.338 1.00 0.00 C ATOM 818 CG1 ILE A 51 5.646 4.187 -2.673 1.00 0.00 C ATOM 819 CG2 ILE A 51 3.681 5.514 -3.492 1.00 0.00 C ATOM 820 CD1 ILE A 51 5.119 2.796 -2.397 1.00 0.00 C ATOM 0 H ILE A 51 5.826 6.304 0.021 1.00 0.00 H new ATOM 0 HA ILE A 51 6.005 6.888 -2.862 1.00 0.00 H new ATOM 0 HB ILE A 51 4.073 4.990 -1.463 1.00 0.00 H new ATOM 0 HG12 ILE A 51 5.919 4.261 -3.726 1.00 0.00 H new ATOM 0 HG13 ILE A 51 6.557 4.343 -2.095 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.163 4.581 -3.714 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.953 6.277 -3.218 1.00 0.00 H new ATOM 0 HG23 ILE A 51 4.234 5.840 -4.373 1.00 0.00 H new ATOM 0 HD11 ILE A 51 5.880 2.060 -2.658 1.00 0.00 H new ATOM 0 HD12 ILE A 51 4.872 2.704 -1.339 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.225 2.620 -2.995 1.00 0.00 H new ATOM 832 N PRO A 52 4.680 8.926 -2.185 1.00 0.00 N ATOM 833 CA PRO A 52 3.801 10.084 -2.002 1.00 0.00 C ATOM 834 C PRO A 52 2.533 9.988 -2.844 1.00 0.00 C ATOM 835 O PRO A 52 2.593 9.730 -4.047 1.00 0.00 O ATOM 836 CB PRO A 52 4.663 11.261 -2.465 1.00 0.00 C ATOM 837 CG PRO A 52 5.642 10.663 -3.415 1.00 0.00 C ATOM 838 CD PRO A 52 5.914 9.273 -2.909 1.00 0.00 C ATOM 0 HA PRO A 52 3.453 10.173 -0.973 1.00 0.00 H new ATOM 0 HB2 PRO A 52 4.059 12.028 -2.950 1.00 0.00 H new ATOM 0 HB3 PRO A 52 5.167 11.737 -1.624 1.00 0.00 H new ATOM 0 HG2 PRO A 52 5.238 10.638 -4.427 1.00 0.00 H new ATOM 0 HG3 PRO A 52 6.559 11.251 -3.452 1.00 0.00 H new ATOM 0 HD2 PRO A 52 6.109 8.579 -3.726 1.00 0.00 H new ATOM 0 HD3 PRO A 52 6.785 9.247 -2.254 1.00 0.00 H new ATOM 846 N LEU A 53 1.387 10.199 -2.207 1.00 0.00 N ATOM 847 CA LEU A 53 0.104 10.137 -2.898 1.00 0.00 C ATOM 848 C LEU A 53 0.191 10.803 -4.268 1.00 0.00 C ATOM 849 O LEU A 53 -0.567 10.472 -5.179 1.00 0.00 O ATOM 850 CB LEU A 53 -0.983 10.811 -2.059 1.00 0.00 C ATOM 851 CG LEU A 53 -1.245 10.197 -0.683 1.00 0.00 C ATOM 852 CD1 LEU A 53 -2.472 10.828 -0.042 1.00 0.00 C ATOM 853 CD2 LEU A 53 -1.415 8.689 -0.795 1.00 0.00 C ATOM 0 H LEU A 53 1.320 10.415 -1.212 1.00 0.00 H new ATOM 0 HA LEU A 53 -0.154 9.088 -3.040 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.712 11.858 -1.922 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.914 10.794 -2.626 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.384 10.399 -0.046 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -2.643 10.379 0.936 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -2.311 11.900 0.074 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.342 10.658 -0.676 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.601 8.269 0.194 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.258 8.465 -1.448 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.508 8.250 -1.211 1.00 0.00 H new ATOM 865 N SER A 54 1.122 11.742 -4.405 1.00 0.00 N ATOM 866 CA SER A 54 1.307 12.456 -5.663 1.00 0.00 C ATOM 867 C SER A 54 1.838 11.520 -6.746 1.00 0.00 C ATOM 868 O SER A 54 1.365 11.538 -7.882 1.00 0.00 O ATOM 869 CB SER A 54 2.270 13.629 -5.471 1.00 0.00 C ATOM 870 OG SER A 54 2.635 14.199 -6.717 1.00 0.00 O ATOM 0 H SER A 54 1.759 12.026 -3.661 1.00 0.00 H new ATOM 0 HA SER A 54 0.337 12.839 -5.981 1.00 0.00 H new ATOM 0 HB2 SER A 54 1.803 14.388 -4.843 1.00 0.00 H new ATOM 0 HB3 SER A 54 3.163 13.288 -4.948 1.00 0.00 H new ATOM 0 HG SER A 54 3.250 14.947 -6.567 1.00 0.00 H new ATOM 876 N GLU A 55 2.823 10.705 -6.383 1.00 0.00 N ATOM 877 CA GLU A 55 3.419 9.762 -7.323 1.00 0.00 C ATOM 878 C GLU A 55 2.362 8.821 -7.894 1.00 0.00 C ATOM 879 O GLU A 55 2.240 8.671 -9.110 1.00 0.00 O ATOM 880 CB GLU A 55 4.522 8.953 -6.639 1.00 0.00 C ATOM 881 CG GLU A 55 5.889 9.616 -6.698 1.00 0.00 C ATOM 882 CD GLU A 55 6.616 9.337 -7.998 1.00 0.00 C ATOM 883 OE1 GLU A 55 6.333 8.294 -8.624 1.00 0.00 O ATOM 884 OE2 GLU A 55 7.469 10.160 -8.390 1.00 0.00 O ATOM 0 H GLU A 55 3.225 10.678 -5.446 1.00 0.00 H new ATOM 0 HA GLU A 55 3.854 10.333 -8.144 1.00 0.00 H new ATOM 0 HB2 GLU A 55 4.250 8.793 -5.596 1.00 0.00 H new ATOM 0 HB3 GLU A 55 4.584 7.970 -7.107 1.00 0.00 H new ATOM 0 HG2 GLU A 55 5.772 10.693 -6.575 1.00 0.00 H new ATOM 0 HG3 GLU A 55 6.496 9.264 -5.864 1.00 0.00 H new ATOM 891 N ILE A 56 1.601 8.189 -7.007 1.00 0.00 N ATOM 892 CA ILE A 56 0.555 7.262 -7.421 1.00 0.00 C ATOM 893 C ILE A 56 -0.406 7.923 -8.405 1.00 0.00 C ATOM 894 O ILE A 56 -1.415 8.506 -8.007 1.00 0.00 O ATOM 895 CB ILE A 56 -0.245 6.739 -6.213 1.00 0.00 C ATOM 896 CG1 ILE A 56 0.696 6.096 -5.191 1.00 0.00 C ATOM 897 CG2 ILE A 56 -1.301 5.743 -6.668 1.00 0.00 C ATOM 898 CD1 ILE A 56 0.128 6.055 -3.790 1.00 0.00 C ATOM 0 H ILE A 56 1.689 8.302 -5.997 1.00 0.00 H new ATOM 0 HA ILE A 56 1.051 6.423 -7.908 1.00 0.00 H new ATOM 0 HB ILE A 56 -0.748 7.581 -5.737 1.00 0.00 H new ATOM 0 HG12 ILE A 56 0.927 5.080 -5.511 1.00 0.00 H new ATOM 0 HG13 ILE A 56 1.636 6.647 -5.177 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -1.858 5.383 -5.803 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.985 6.230 -7.363 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.818 4.902 -7.165 1.00 0.00 H new ATOM 0 HD11 ILE A 56 0.848 5.587 -3.119 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -0.077 7.070 -3.451 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.797 5.478 -3.789 1.00 0.00 H new ATOM 910 N LEU A 57 -0.087 7.825 -9.690 1.00 0.00 N ATOM 911 CA LEU A 57 -0.923 8.411 -10.733 1.00 0.00 C ATOM 912 C LEU A 57 -2.382 8.006 -10.552 1.00 0.00 C ATOM 913 O LEU A 57 -3.250 8.854 -10.344 1.00 0.00 O ATOM 914 CB LEU A 57 -0.428 7.977 -12.114 1.00 0.00 C ATOM 915 CG LEU A 57 0.966 8.463 -12.511 1.00 0.00 C ATOM 916 CD1 LEU A 57 1.611 7.493 -13.488 1.00 0.00 C ATOM 917 CD2 LEU A 57 0.894 9.859 -13.112 1.00 0.00 C ATOM 0 H LEU A 57 0.744 7.346 -10.036 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.854 9.496 -10.654 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.436 6.888 -12.155 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.140 8.330 -12.860 1.00 0.00 H new ATOM 0 HG LEU A 57 1.583 8.507 -11.614 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.603 7.855 -13.759 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.698 6.511 -13.022 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.995 7.416 -14.384 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.896 10.188 -13.388 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.260 9.841 -13.999 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.474 10.549 -12.380 1.00 0.00 H new ATOM 929 N ARG A 58 -2.644 6.706 -10.631 1.00 0.00 N ATOM 930 CA ARG A 58 -3.998 6.188 -10.475 1.00 0.00 C ATOM 931 C ARG A 58 -4.001 4.662 -10.479 1.00 0.00 C ATOM 932 O ARG A 58 -2.963 4.031 -10.674 1.00 0.00 O ATOM 933 CB ARG A 58 -4.900 6.714 -11.595 1.00 0.00 C ATOM 934 CG ARG A 58 -4.422 6.338 -12.988 1.00 0.00 C ATOM 935 CD ARG A 58 -4.998 5.003 -13.433 1.00 0.00 C ATOM 936 NE ARG A 58 -4.135 4.330 -14.400 1.00 0.00 N ATOM 937 CZ ARG A 58 -4.563 3.396 -15.242 1.00 0.00 C ATOM 938 NH1 ARG A 58 -5.836 3.026 -15.236 1.00 0.00 N ATOM 939 NH2 ARG A 58 -3.717 2.830 -16.094 1.00 0.00 N ATOM 0 H ARG A 58 -1.936 5.992 -10.802 1.00 0.00 H new ATOM 0 HA ARG A 58 -4.383 6.532 -9.515 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -5.909 6.328 -11.449 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -4.961 7.800 -11.522 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -4.712 7.115 -13.695 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -3.333 6.288 -12.999 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -5.138 4.361 -12.564 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -5.982 5.162 -13.874 1.00 0.00 H new ATOM 0 HE ARG A 58 -3.150 4.591 -14.431 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -6.490 3.459 -14.584 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -6.162 2.309 -15.884 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -2.737 3.112 -16.103 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -4.047 2.113 -16.740 1.00 0.00 H new ATOM 953 N ILE A 59 -5.175 4.078 -10.262 1.00 0.00 N ATOM 954 CA ILE A 59 -5.312 2.627 -10.241 1.00 0.00 C ATOM 955 C ILE A 59 -5.764 2.098 -11.598 1.00 0.00 C ATOM 956 O ILE A 59 -6.627 2.686 -12.249 1.00 0.00 O ATOM 957 CB ILE A 59 -6.316 2.172 -9.165 1.00 0.00 C ATOM 958 CG1 ILE A 59 -5.841 2.606 -7.777 1.00 0.00 C ATOM 959 CG2 ILE A 59 -6.503 0.663 -9.219 1.00 0.00 C ATOM 960 CD1 ILE A 59 -4.411 2.212 -7.478 1.00 0.00 C ATOM 0 H ILE A 59 -6.044 4.587 -10.098 1.00 0.00 H new ATOM 0 HA ILE A 59 -4.329 2.220 -10.004 1.00 0.00 H new ATOM 0 HB ILE A 59 -7.278 2.645 -9.364 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -5.937 3.688 -7.691 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -6.496 2.167 -7.024 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -7.215 0.357 -8.453 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -6.882 0.378 -10.201 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -5.546 0.171 -9.042 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -4.142 2.551 -6.478 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -4.314 1.128 -7.532 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -3.746 2.673 -8.209 1.00 0.00 H new ATOM 972 N SER A 60 -5.176 0.982 -12.018 1.00 0.00 N ATOM 973 CA SER A 60 -5.517 0.374 -13.299 1.00 0.00 C ATOM 974 C SER A 60 -6.266 -0.939 -13.094 1.00 0.00 C ATOM 975 O SER A 60 -6.521 -1.351 -11.963 1.00 0.00 O ATOM 976 CB SER A 60 -4.251 0.129 -14.123 1.00 0.00 C ATOM 977 OG SER A 60 -4.572 -0.190 -15.466 1.00 0.00 O ATOM 0 H SER A 60 -4.462 0.481 -11.490 1.00 0.00 H new ATOM 0 HA SER A 60 -6.167 1.062 -13.840 1.00 0.00 H new ATOM 0 HB2 SER A 60 -3.619 1.017 -14.098 1.00 0.00 H new ATOM 0 HB3 SER A 60 -3.676 -0.684 -13.680 1.00 0.00 H new ATOM 0 HG SER A 60 -3.747 -0.340 -15.973 1.00 0.00 H new ATOM 1185 N HIS A 75 -2.890 -10.827 -7.836 1.00 0.00 N ATOM 1186 CA HIS A 75 -3.032 -9.516 -7.213 1.00 0.00 C ATOM 1187 C HIS A 75 -4.464 -9.005 -7.342 1.00 0.00 C ATOM 1188 O HIS A 75 -5.307 -9.644 -7.973 1.00 0.00 O ATOM 1189 CB HIS A 75 -2.063 -8.518 -7.849 1.00 0.00 C ATOM 1190 CG HIS A 75 -2.333 -8.263 -9.300 1.00 0.00 C ATOM 1191 ND1 HIS A 75 -2.164 -9.221 -10.277 1.00 0.00 N ATOM 1192 CD2 HIS A 75 -2.764 -7.149 -9.937 1.00 0.00 C ATOM 1193 CE1 HIS A 75 -2.477 -8.708 -11.453 1.00 0.00 C ATOM 1194 NE2 HIS A 75 -2.845 -7.452 -11.274 1.00 0.00 N ATOM 0 HA HIS A 75 -2.795 -9.617 -6.154 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -2.118 -7.574 -7.306 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -1.045 -8.891 -7.737 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -3.000 -6.200 -9.479 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -2.439 -9.227 -12.399 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -3.141 -6.811 -12.010 1.00 0.00 H new ATOM 1203 N CYS A 76 -4.732 -7.851 -6.742 1.00 0.00 N ATOM 1204 CA CYS A 76 -6.062 -7.255 -6.788 1.00 0.00 C ATOM 1205 C CYS A 76 -6.043 -5.941 -7.563 1.00 0.00 C ATOM 1206 O CYS A 76 -6.896 -5.700 -8.418 1.00 0.00 O ATOM 1207 CB CYS A 76 -6.587 -7.017 -5.371 1.00 0.00 C ATOM 1208 SG CYS A 76 -8.206 -6.215 -5.309 1.00 0.00 S ATOM 0 H CYS A 76 -4.045 -7.309 -6.218 1.00 0.00 H new ATOM 0 HA CYS A 76 -6.726 -7.950 -7.302 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -6.647 -7.974 -4.852 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -5.869 -6.404 -4.827 1.00 0.00 H new ATOM 0 HG CYS A 76 -8.266 -5.439 -4.268 1.00 0.00 H new ATOM 1214 N PHE A 77 -5.065 -5.095 -7.258 1.00 0.00 N ATOM 1215 CA PHE A 77 -4.936 -3.804 -7.924 1.00 0.00 C ATOM 1216 C PHE A 77 -3.490 -3.547 -8.338 1.00 0.00 C ATOM 1217 O PHE A 77 -2.575 -4.238 -7.892 1.00 0.00 O ATOM 1218 CB PHE A 77 -5.422 -2.681 -7.005 1.00 0.00 C ATOM 1219 CG PHE A 77 -4.601 -2.531 -5.756 1.00 0.00 C ATOM 1220 CD1 PHE A 77 -4.566 -3.541 -4.808 1.00 0.00 C ATOM 1221 CD2 PHE A 77 -3.865 -1.379 -5.530 1.00 0.00 C ATOM 1222 CE1 PHE A 77 -3.812 -3.406 -3.658 1.00 0.00 C ATOM 1223 CE2 PHE A 77 -3.108 -1.239 -4.382 1.00 0.00 C ATOM 1224 CZ PHE A 77 -3.082 -2.253 -3.444 1.00 0.00 C ATOM 0 H PHE A 77 -4.350 -5.280 -6.554 1.00 0.00 H new ATOM 0 HA PHE A 77 -5.554 -3.823 -8.821 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -5.407 -1.740 -7.555 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -6.459 -2.872 -6.728 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -5.135 -4.445 -4.970 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -3.883 -0.582 -6.259 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -3.793 -4.201 -2.927 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -2.537 -0.337 -4.218 1.00 0.00 H new ATOM 0 HZ PHE A 77 -2.492 -2.144 -2.546 1.00 0.00 H new ATOM 1234 N GLU A 78 -3.294 -2.549 -9.193 1.00 0.00 N ATOM 1235 CA GLU A 78 -1.959 -2.202 -9.668 1.00 0.00 C ATOM 1236 C GLU A 78 -1.665 -0.724 -9.433 1.00 0.00 C ATOM 1237 O GLU A 78 -2.356 0.149 -9.959 1.00 0.00 O ATOM 1238 CB GLU A 78 -1.823 -2.530 -11.157 1.00 0.00 C ATOM 1239 CG GLU A 78 -2.193 -3.963 -11.501 1.00 0.00 C ATOM 1240 CD GLU A 78 -2.488 -4.151 -12.976 1.00 0.00 C ATOM 1241 OE1 GLU A 78 -2.788 -3.145 -13.654 1.00 0.00 O ATOM 1242 OE2 GLU A 78 -2.420 -5.302 -13.454 1.00 0.00 O ATOM 0 H GLU A 78 -4.041 -1.967 -9.571 1.00 0.00 H new ATOM 0 HA GLU A 78 -1.236 -2.792 -9.105 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -2.457 -1.853 -11.729 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -0.795 -2.344 -11.469 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -1.377 -4.625 -11.210 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -3.066 -4.259 -10.919 1.00 0.00 H new ATOM 1249 N ILE A 79 -0.636 -0.451 -8.638 1.00 0.00 N ATOM 1250 CA ILE A 79 -0.250 0.921 -8.333 1.00 0.00 C ATOM 1251 C ILE A 79 0.678 1.483 -9.406 1.00 0.00 C ATOM 1252 O ILE A 79 1.864 1.157 -9.447 1.00 0.00 O ATOM 1253 CB ILE A 79 0.449 1.019 -6.964 1.00 0.00 C ATOM 1254 CG1 ILE A 79 -0.393 0.331 -5.888 1.00 0.00 C ATOM 1255 CG2 ILE A 79 0.700 2.474 -6.600 1.00 0.00 C ATOM 1256 CD1 ILE A 79 0.216 0.405 -4.505 1.00 0.00 C ATOM 0 H ILE A 79 -0.055 -1.162 -8.194 1.00 0.00 H new ATOM 0 HA ILE A 79 -1.168 1.508 -8.306 1.00 0.00 H new ATOM 0 HB ILE A 79 1.411 0.511 -7.026 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -1.383 0.788 -5.865 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -0.531 -0.715 -6.160 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.194 2.526 -5.630 1.00 0.00 H new ATOM 0 HG22 ILE A 79 1.336 2.934 -7.357 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -0.250 3.006 -6.552 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -0.435 -0.103 -3.793 1.00 0.00 H new ATOM 0 HD12 ILE A 79 1.193 -0.077 -4.512 1.00 0.00 H new ATOM 0 HD13 ILE A 79 0.329 1.449 -4.212 1.00 0.00 H new ATOM 1268 N ILE A 80 0.129 2.329 -10.271 1.00 0.00 N ATOM 1269 CA ILE A 80 0.908 2.939 -11.341 1.00 0.00 C ATOM 1270 C ILE A 80 1.592 4.215 -10.865 1.00 0.00 C ATOM 1271 O ILE A 80 0.935 5.160 -10.427 1.00 0.00 O ATOM 1272 CB ILE A 80 0.027 3.266 -12.562 1.00 0.00 C ATOM 1273 CG1 ILE A 80 -0.505 1.978 -13.194 1.00 0.00 C ATOM 1274 CG2 ILE A 80 0.814 4.077 -13.580 1.00 0.00 C ATOM 1275 CD1 ILE A 80 -1.405 1.181 -12.277 1.00 0.00 C ATOM 0 H ILE A 80 -0.852 2.607 -10.252 1.00 0.00 H new ATOM 0 HA ILE A 80 1.666 2.212 -11.634 1.00 0.00 H new ATOM 0 HB ILE A 80 -0.823 3.863 -12.230 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -1.055 2.228 -14.101 1.00 0.00 H new ATOM 0 HG13 ILE A 80 0.338 1.355 -13.494 1.00 0.00 H new ATOM 0 HG21 ILE A 80 0.179 4.300 -14.437 1.00 0.00 H new ATOM 0 HG22 ILE A 80 1.148 5.009 -13.123 1.00 0.00 H new ATOM 0 HG23 ILE A 80 1.680 3.504 -13.910 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -1.744 0.282 -12.792 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -0.853 0.899 -11.380 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -2.267 1.786 -11.997 1.00 0.00 H new ATOM 1287 N THR A 81 2.919 4.238 -10.956 1.00 0.00 N ATOM 1288 CA THR A 81 3.693 5.399 -10.536 1.00 0.00 C ATOM 1289 C THR A 81 4.613 5.880 -11.652 1.00 0.00 C ATOM 1290 O THR A 81 4.993 5.108 -12.532 1.00 0.00 O ATOM 1291 CB THR A 81 4.540 5.087 -9.287 1.00 0.00 C ATOM 1292 OG1 THR A 81 5.398 3.970 -9.543 1.00 0.00 O ATOM 1293 CG2 THR A 81 3.649 4.786 -8.091 1.00 0.00 C ATOM 0 H THR A 81 3.479 3.466 -11.317 1.00 0.00 H new ATOM 0 HA THR A 81 2.978 6.185 -10.295 1.00 0.00 H new ATOM 0 HB THR A 81 5.146 5.964 -9.057 1.00 0.00 H new ATOM 0 HG1 THR A 81 6.331 4.235 -9.400 1.00 0.00 H new ATOM 0 HG21 THR A 81 4.269 4.569 -7.221 1.00 0.00 H new ATOM 0 HG22 THR A 81 3.018 5.650 -7.881 1.00 0.00 H new ATOM 0 HG23 THR A 81 3.021 3.924 -8.313 1.00 0.00 H new ATOM 1301 N ASP A 82 4.968 7.159 -11.609 1.00 0.00 N ATOM 1302 CA ASP A 82 5.846 7.743 -12.617 1.00 0.00 C ATOM 1303 C ASP A 82 7.099 6.893 -12.804 1.00 0.00 C ATOM 1304 O ASP A 82 7.798 7.010 -13.811 1.00 0.00 O ATOM 1305 CB ASP A 82 6.236 9.168 -12.221 1.00 0.00 C ATOM 1306 CG ASP A 82 5.042 9.994 -11.783 1.00 0.00 C ATOM 1307 OD1 ASP A 82 4.224 10.363 -12.652 1.00 0.00 O ATOM 1308 OD2 ASP A 82 4.925 10.270 -10.571 1.00 0.00 O ATOM 0 H ASP A 82 4.662 7.812 -10.887 1.00 0.00 H new ATOM 0 HA ASP A 82 5.304 7.773 -13.562 1.00 0.00 H new ATOM 0 HB2 ASP A 82 6.965 9.131 -11.411 1.00 0.00 H new ATOM 0 HB3 ASP A 82 6.722 9.657 -13.065 1.00 0.00 H new ATOM 1313 N THR A 83 7.380 6.038 -11.826 1.00 0.00 N ATOM 1314 CA THR A 83 8.549 5.170 -11.881 1.00 0.00 C ATOM 1315 C THR A 83 8.217 3.841 -12.549 1.00 0.00 C ATOM 1316 O THR A 83 8.677 3.559 -13.655 1.00 0.00 O ATOM 1317 CB THR A 83 9.114 4.897 -10.474 1.00 0.00 C ATOM 1318 OG1 THR A 83 8.068 4.444 -9.606 1.00 0.00 O ATOM 1319 CG2 THR A 83 9.752 6.151 -9.895 1.00 0.00 C ATOM 0 H THR A 83 6.813 5.928 -10.985 1.00 0.00 H new ATOM 0 HA THR A 83 9.302 5.692 -12.472 1.00 0.00 H new ATOM 0 HB THR A 83 9.878 4.124 -10.556 1.00 0.00 H new ATOM 0 HG1 THR A 83 8.367 3.646 -9.122 1.00 0.00 H new ATOM 0 HG21 THR A 83 10.144 5.934 -8.901 1.00 0.00 H new ATOM 0 HG22 THR A 83 10.566 6.478 -10.543 1.00 0.00 H new ATOM 0 HG23 THR A 83 9.004 6.941 -9.826 1.00 0.00 H new ATOM 1327 N MET A 84 7.414 3.027 -11.871 1.00 0.00 N ATOM 1328 CA MET A 84 7.019 1.728 -12.401 1.00 0.00 C ATOM 1329 C MET A 84 5.710 1.260 -11.773 1.00 0.00 C ATOM 1330 O MET A 84 5.225 1.853 -10.809 1.00 0.00 O ATOM 1331 CB MET A 84 8.118 0.694 -12.147 1.00 0.00 C ATOM 1332 CG MET A 84 8.361 0.416 -10.672 1.00 0.00 C ATOM 1333 SD MET A 84 10.063 -0.072 -10.329 1.00 0.00 S ATOM 1334 CE MET A 84 10.312 -1.331 -11.579 1.00 0.00 C ATOM 0 H MET A 84 7.025 3.245 -10.954 1.00 0.00 H new ATOM 0 HA MET A 84 6.869 1.832 -13.476 1.00 0.00 H new ATOM 0 HB2 MET A 84 7.851 -0.238 -12.645 1.00 0.00 H new ATOM 0 HB3 MET A 84 9.046 1.043 -12.600 1.00 0.00 H new ATOM 0 HG2 MET A 84 8.119 1.308 -10.093 1.00 0.00 H new ATOM 0 HG3 MET A 84 7.687 -0.373 -10.339 1.00 0.00 H new ATOM 0 HE1 MET A 84 11.192 -1.923 -11.329 1.00 0.00 H new ATOM 0 HE2 MET A 84 9.438 -1.980 -11.620 1.00 0.00 H new ATOM 0 HE3 MET A 84 10.458 -0.856 -12.549 1.00 0.00 H new ATOM 1344 N VAL A 85 5.141 0.193 -12.327 1.00 0.00 N ATOM 1345 CA VAL A 85 3.888 -0.354 -11.821 1.00 0.00 C ATOM 1346 C VAL A 85 4.141 -1.400 -10.741 1.00 0.00 C ATOM 1347 O VAL A 85 5.099 -2.170 -10.821 1.00 0.00 O ATOM 1348 CB VAL A 85 3.056 -0.989 -12.951 1.00 0.00 C ATOM 1349 CG1 VAL A 85 1.642 -1.281 -12.473 1.00 0.00 C ATOM 1350 CG2 VAL A 85 3.038 -0.083 -14.172 1.00 0.00 C ATOM 0 H VAL A 85 5.528 -0.309 -13.126 1.00 0.00 H new ATOM 0 HA VAL A 85 3.330 0.478 -11.392 1.00 0.00 H new ATOM 0 HB VAL A 85 3.520 -1.933 -13.234 1.00 0.00 H new ATOM 0 HG11 VAL A 85 1.069 -1.729 -13.285 1.00 0.00 H new ATOM 0 HG12 VAL A 85 1.678 -1.971 -11.630 1.00 0.00 H new ATOM 0 HG13 VAL A 85 1.164 -0.352 -12.161 1.00 0.00 H new ATOM 0 HG21 VAL A 85 2.446 -0.547 -14.961 1.00 0.00 H new ATOM 0 HG22 VAL A 85 2.598 0.878 -13.906 1.00 0.00 H new ATOM 0 HG23 VAL A 85 4.057 0.070 -14.526 1.00 0.00 H new ATOM 1360 N TYR A 86 3.277 -1.424 -9.733 1.00 0.00 N ATOM 1361 CA TYR A 86 3.408 -2.375 -8.636 1.00 0.00 C ATOM 1362 C TYR A 86 2.147 -3.222 -8.496 1.00 0.00 C ATOM 1363 O TYR A 86 1.070 -2.834 -8.950 1.00 0.00 O ATOM 1364 CB TYR A 86 3.689 -1.638 -7.325 1.00 0.00 C ATOM 1365 CG TYR A 86 4.877 -0.706 -7.397 1.00 0.00 C ATOM 1366 CD1 TYR A 86 6.100 -1.145 -7.890 1.00 0.00 C ATOM 1367 CD2 TYR A 86 4.778 0.613 -6.972 1.00 0.00 C ATOM 1368 CE1 TYR A 86 7.189 -0.298 -7.957 1.00 0.00 C ATOM 1369 CE2 TYR A 86 5.861 1.468 -7.036 1.00 0.00 C ATOM 1370 CZ TYR A 86 7.065 1.008 -7.529 1.00 0.00 C ATOM 1371 OH TYR A 86 8.146 1.856 -7.594 1.00 0.00 O ATOM 0 H TYR A 86 2.478 -0.795 -9.653 1.00 0.00 H new ATOM 0 HA TYR A 86 4.245 -3.036 -8.860 1.00 0.00 H new ATOM 0 HB2 TYR A 86 2.805 -1.065 -7.043 1.00 0.00 H new ATOM 0 HB3 TYR A 86 3.860 -2.370 -6.536 1.00 0.00 H new ATOM 0 HD1 TYR A 86 6.201 -2.166 -8.227 1.00 0.00 H new ATOM 0 HD2 TYR A 86 3.838 0.976 -6.585 1.00 0.00 H new ATOM 0 HE1 TYR A 86 8.132 -0.656 -8.342 1.00 0.00 H new ATOM 0 HE2 TYR A 86 5.766 2.491 -6.702 1.00 0.00 H new ATOM 0 HH TYR A 86 7.890 2.739 -7.255 1.00 0.00 H new ATOM 1381 N PHE A 87 2.289 -4.382 -7.864 1.00 0.00 N ATOM 1382 CA PHE A 87 1.162 -5.286 -7.663 1.00 0.00 C ATOM 1383 C PHE A 87 1.106 -5.773 -6.218 1.00 0.00 C ATOM 1384 O PHE A 87 2.011 -6.463 -5.748 1.00 0.00 O ATOM 1385 CB PHE A 87 1.266 -6.482 -8.612 1.00 0.00 C ATOM 1386 CG PHE A 87 1.409 -6.091 -10.055 1.00 0.00 C ATOM 1387 CD1 PHE A 87 2.573 -5.495 -10.513 1.00 0.00 C ATOM 1388 CD2 PHE A 87 0.380 -6.320 -10.954 1.00 0.00 C ATOM 1389 CE1 PHE A 87 2.707 -5.134 -11.840 1.00 0.00 C ATOM 1390 CE2 PHE A 87 0.508 -5.962 -12.283 1.00 0.00 C ATOM 1391 CZ PHE A 87 1.674 -5.369 -12.726 1.00 0.00 C ATOM 0 H PHE A 87 3.173 -4.718 -7.482 1.00 0.00 H new ATOM 0 HA PHE A 87 0.245 -4.737 -7.879 1.00 0.00 H new ATOM 0 HB2 PHE A 87 2.122 -7.092 -8.323 1.00 0.00 H new ATOM 0 HB3 PHE A 87 0.378 -7.104 -8.499 1.00 0.00 H new ATOM 0 HD1 PHE A 87 3.385 -5.311 -9.825 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -0.533 -6.784 -10.612 1.00 0.00 H new ATOM 0 HE1 PHE A 87 3.619 -4.668 -12.184 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -0.302 -6.146 -12.973 1.00 0.00 H new ATOM 0 HZ PHE A 87 1.778 -5.089 -13.764 1.00 0.00 H new ATOM 1401 N VAL A 88 0.037 -5.407 -5.517 1.00 0.00 N ATOM 1402 CA VAL A 88 -0.138 -5.806 -4.126 1.00 0.00 C ATOM 1403 C VAL A 88 -1.335 -6.738 -3.968 1.00 0.00 C ATOM 1404 O VAL A 88 -2.384 -6.526 -4.575 1.00 0.00 O ATOM 1405 CB VAL A 88 -0.331 -4.582 -3.211 1.00 0.00 C ATOM 1406 CG1 VAL A 88 -0.092 -4.959 -1.757 1.00 0.00 C ATOM 1407 CG2 VAL A 88 0.592 -3.450 -3.636 1.00 0.00 C ATOM 0 H VAL A 88 -0.721 -4.835 -5.890 1.00 0.00 H new ATOM 0 HA VAL A 88 0.770 -6.332 -3.831 1.00 0.00 H new ATOM 0 HB VAL A 88 -1.360 -4.237 -3.307 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -0.233 -4.082 -1.126 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -0.798 -5.736 -1.462 1.00 0.00 H new ATOM 0 HG13 VAL A 88 0.926 -5.330 -1.640 1.00 0.00 H new ATOM 0 HG21 VAL A 88 0.443 -2.593 -2.979 1.00 0.00 H new ATOM 0 HG22 VAL A 88 1.628 -3.781 -3.570 1.00 0.00 H new ATOM 0 HG23 VAL A 88 0.367 -3.163 -4.663 1.00 0.00 H new ATOM 1417 N GLY A 89 -1.169 -7.771 -3.148 1.00 0.00 N ATOM 1418 CA GLY A 89 -2.244 -8.720 -2.925 1.00 0.00 C ATOM 1419 C GLY A 89 -1.789 -10.158 -3.076 1.00 0.00 C ATOM 1420 O GLY A 89 -1.210 -10.528 -4.097 1.00 0.00 O ATOM 0 H GLY A 89 -0.310 -7.968 -2.634 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -2.651 -8.574 -1.925 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -3.051 -8.522 -3.630 1.00 0.00 H new ATOM 1424 N GLU A 90 -2.048 -10.970 -2.056 1.00 0.00 N ATOM 1425 CA GLU A 90 -1.658 -12.375 -2.080 1.00 0.00 C ATOM 1426 C GLU A 90 -2.813 -13.268 -1.635 1.00 0.00 C ATOM 1427 O GLU A 90 -3.116 -13.363 -0.447 1.00 0.00 O ATOM 1428 CB GLU A 90 -0.444 -12.605 -1.178 1.00 0.00 C ATOM 1429 CG GLU A 90 -0.105 -14.073 -0.976 1.00 0.00 C ATOM 1430 CD GLU A 90 0.862 -14.597 -2.020 1.00 0.00 C ATOM 1431 OE1 GLU A 90 1.381 -13.780 -2.810 1.00 0.00 O ATOM 1432 OE2 GLU A 90 1.100 -15.822 -2.047 1.00 0.00 O ATOM 0 H GLU A 90 -2.526 -10.679 -1.203 1.00 0.00 H new ATOM 0 HA GLU A 90 -1.395 -12.635 -3.105 1.00 0.00 H new ATOM 0 HB2 GLU A 90 0.419 -12.097 -1.608 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -0.632 -12.147 -0.207 1.00 0.00 H new ATOM 0 HG2 GLU A 90 0.327 -14.209 0.015 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -1.022 -14.662 -1.007 1.00 0.00 H new ATOM 1439 N ASN A 91 -3.454 -13.920 -2.600 1.00 0.00 N ATOM 1440 CA ASN A 91 -4.576 -14.805 -2.308 1.00 0.00 C ATOM 1441 C ASN A 91 -4.088 -16.138 -1.751 1.00 0.00 C ATOM 1442 O ASN A 91 -3.535 -16.962 -2.479 1.00 0.00 O ATOM 1443 CB ASN A 91 -5.408 -15.041 -3.571 1.00 0.00 C ATOM 1444 CG ASN A 91 -6.751 -15.677 -3.268 1.00 0.00 C ATOM 1445 OD1 ASN A 91 -6.825 -16.846 -2.890 1.00 0.00 O ATOM 1446 ND2 ASN A 91 -7.820 -14.908 -3.434 1.00 0.00 N ATOM 0 H ASN A 91 -3.216 -13.852 -3.590 1.00 0.00 H new ATOM 0 HA ASN A 91 -5.199 -14.324 -1.554 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -5.566 -14.091 -4.082 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -4.852 -15.682 -4.255 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -8.751 -15.281 -3.246 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -7.711 -13.944 -3.749 1.00 0.00 H new ATOM 1646 N GLY A 107 -3.658 -12.133 2.731 1.00 0.00 N ATOM 1647 CA GLY A 107 -4.739 -12.561 1.862 1.00 0.00 C ATOM 1648 C GLY A 107 -5.142 -11.489 0.868 1.00 0.00 C ATOM 1649 O GLY A 107 -4.761 -10.326 1.009 1.00 0.00 O ATOM 0 HA2 GLY A 107 -4.434 -13.457 1.322 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -5.603 -12.833 2.469 1.00 0.00 H new ATOM 1653 N LEU A 108 -5.912 -11.880 -0.141 1.00 0.00 N ATOM 1654 CA LEU A 108 -6.366 -10.945 -1.164 1.00 0.00 C ATOM 1655 C LEU A 108 -7.422 -9.997 -0.605 1.00 0.00 C ATOM 1656 O LEU A 108 -7.394 -8.795 -0.870 1.00 0.00 O ATOM 1657 CB LEU A 108 -6.932 -11.706 -2.364 1.00 0.00 C ATOM 1658 CG LEU A 108 -7.870 -10.918 -3.278 1.00 0.00 C ATOM 1659 CD1 LEU A 108 -7.709 -11.363 -4.723 1.00 0.00 C ATOM 1660 CD2 LEU A 108 -9.315 -11.080 -2.826 1.00 0.00 C ATOM 0 H LEU A 108 -6.235 -12.838 -0.273 1.00 0.00 H new ATOM 0 HA LEU A 108 -5.509 -10.355 -1.488 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -6.098 -12.073 -2.962 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -7.468 -12.580 -1.994 1.00 0.00 H new ATOM 0 HG LEU A 108 -7.605 -9.863 -3.214 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -8.385 -10.790 -5.358 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -6.681 -11.194 -5.043 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -7.945 -12.424 -4.805 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -9.969 -10.512 -3.488 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -9.591 -12.134 -2.860 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -9.421 -10.710 -1.806 1.00 0.00 H new ATOM 1672 N ASP A 109 -8.351 -10.545 0.170 1.00 0.00 N ATOM 1673 CA ASP A 109 -9.415 -9.748 0.770 1.00 0.00 C ATOM 1674 C ASP A 109 -8.908 -8.359 1.145 1.00 0.00 C ATOM 1675 O ASP A 109 -9.370 -7.352 0.609 1.00 0.00 O ATOM 1676 CB ASP A 109 -9.974 -10.453 2.007 1.00 0.00 C ATOM 1677 CG ASP A 109 -11.300 -9.870 2.455 1.00 0.00 C ATOM 1678 OD1 ASP A 109 -12.179 -9.663 1.592 1.00 0.00 O ATOM 1679 OD2 ASP A 109 -11.459 -9.620 3.669 1.00 0.00 O ATOM 0 H ASP A 109 -8.389 -11.539 0.398 1.00 0.00 H new ATOM 0 HA ASP A 109 -10.212 -9.637 0.034 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -10.101 -11.514 1.791 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -9.253 -10.378 2.821 1.00 0.00 H new ATOM 1684 N VAL A 110 -7.955 -8.314 2.071 1.00 0.00 N ATOM 1685 CA VAL A 110 -7.384 -7.049 2.519 1.00 0.00 C ATOM 1686 C VAL A 110 -7.006 -6.166 1.334 1.00 0.00 C ATOM 1687 O VAL A 110 -7.137 -4.944 1.391 1.00 0.00 O ATOM 1688 CB VAL A 110 -6.138 -7.274 3.395 1.00 0.00 C ATOM 1689 CG1 VAL A 110 -4.950 -7.686 2.539 1.00 0.00 C ATOM 1690 CG2 VAL A 110 -5.819 -6.023 4.199 1.00 0.00 C ATOM 0 H VAL A 110 -7.562 -9.139 2.525 1.00 0.00 H new ATOM 0 HA VAL A 110 -8.150 -6.549 3.112 1.00 0.00 H new ATOM 0 HB VAL A 110 -6.348 -8.083 4.094 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -4.079 -7.840 3.176 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -5.184 -8.612 2.013 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -4.735 -6.901 1.814 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -4.936 -6.200 4.812 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -5.628 -5.192 3.519 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -6.664 -5.779 4.842 1.00 0.00 H new ATOM 1700 N ALA A 111 -6.537 -6.795 0.261 1.00 0.00 N ATOM 1701 CA ALA A 111 -6.142 -6.067 -0.938 1.00 0.00 C ATOM 1702 C ALA A 111 -7.158 -4.982 -1.281 1.00 0.00 C ATOM 1703 O ALA A 111 -6.807 -3.809 -1.405 1.00 0.00 O ATOM 1704 CB ALA A 111 -5.977 -7.027 -2.107 1.00 0.00 C ATOM 0 H ALA A 111 -6.422 -7.806 0.198 1.00 0.00 H new ATOM 0 HA ALA A 111 -5.185 -5.583 -0.741 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -5.682 -6.470 -2.996 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -5.209 -7.763 -1.868 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -6.922 -7.537 -2.295 1.00 0.00 H new ATOM 1710 N GLN A 112 -8.416 -5.383 -1.435 1.00 0.00 N ATOM 1711 CA GLN A 112 -9.481 -4.444 -1.765 1.00 0.00 C ATOM 1712 C GLN A 112 -9.562 -3.326 -0.730 1.00 0.00 C ATOM 1713 O GLN A 112 -9.679 -2.151 -1.079 1.00 0.00 O ATOM 1714 CB GLN A 112 -10.823 -5.172 -1.853 1.00 0.00 C ATOM 1715 CG GLN A 112 -10.774 -6.438 -2.693 1.00 0.00 C ATOM 1716 CD GLN A 112 -10.554 -7.684 -1.858 1.00 0.00 C ATOM 1717 OE1 GLN A 112 -11.376 -8.031 -1.009 1.00 0.00 O ATOM 1718 NE2 GLN A 112 -9.439 -8.366 -2.094 1.00 0.00 N ATOM 0 H GLN A 112 -8.722 -6.351 -1.337 1.00 0.00 H new ATOM 0 HA GLN A 112 -9.252 -4.001 -2.734 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -11.156 -5.426 -0.847 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -11.567 -4.495 -2.273 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -11.707 -6.537 -3.248 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -9.973 -6.351 -3.428 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -8.785 -8.043 -2.807 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -9.237 -9.213 -1.562 1.00 0.00 H new ATOM 1727 N SER A 113 -9.499 -3.701 0.544 1.00 0.00 N ATOM 1728 CA SER A 113 -9.570 -2.730 1.630 1.00 0.00 C ATOM 1729 C SER A 113 -8.480 -1.672 1.485 1.00 0.00 C ATOM 1730 O SER A 113 -8.713 -0.489 1.729 1.00 0.00 O ATOM 1731 CB SER A 113 -9.436 -3.435 2.981 1.00 0.00 C ATOM 1732 OG SER A 113 -10.533 -4.301 3.216 1.00 0.00 O ATOM 0 H SER A 113 -9.399 -4.669 0.849 1.00 0.00 H new ATOM 0 HA SER A 113 -10.540 -2.236 1.580 1.00 0.00 H new ATOM 0 HB2 SER A 113 -8.507 -4.005 3.007 1.00 0.00 H new ATOM 0 HB3 SER A 113 -9.377 -2.693 3.777 1.00 0.00 H new ATOM 0 HG SER A 113 -10.422 -4.741 4.085 1.00 0.00 H new ATOM 1738 N TRP A 114 -7.291 -2.108 1.086 1.00 0.00 N ATOM 1739 CA TRP A 114 -6.164 -1.199 0.908 1.00 0.00 C ATOM 1740 C TRP A 114 -6.430 -0.219 -0.229 1.00 0.00 C ATOM 1741 O TRP A 114 -6.659 0.967 0.004 1.00 0.00 O ATOM 1742 CB TRP A 114 -4.885 -1.989 0.629 1.00 0.00 C ATOM 1743 CG TRP A 114 -4.181 -2.439 1.873 1.00 0.00 C ATOM 1744 CD1 TRP A 114 -4.393 -3.599 2.561 1.00 0.00 C ATOM 1745 CD2 TRP A 114 -3.153 -1.734 2.579 1.00 0.00 C ATOM 1746 NE1 TRP A 114 -3.559 -3.659 3.651 1.00 0.00 N ATOM 1747 CE2 TRP A 114 -2.787 -2.527 3.684 1.00 0.00 C ATOM 1748 CE3 TRP A 114 -2.504 -0.512 2.383 1.00 0.00 C ATOM 1749 CZ2 TRP A 114 -1.804 -2.136 4.588 1.00 0.00 C ATOM 1750 CZ3 TRP A 114 -1.529 -0.125 3.281 1.00 0.00 C ATOM 1751 CH2 TRP A 114 -1.185 -0.934 4.372 1.00 0.00 C ATOM 0 H TRP A 114 -7.082 -3.085 0.880 1.00 0.00 H new ATOM 0 HA TRP A 114 -6.038 -0.631 1.830 1.00 0.00 H new ATOM 0 HB2 TRP A 114 -5.130 -2.861 0.023 1.00 0.00 H new ATOM 0 HB3 TRP A 114 -4.207 -1.372 0.039 1.00 0.00 H new ATOM 0 HD1 TRP A 114 -5.111 -4.358 2.288 1.00 0.00 H new ATOM 0 HE1 TRP A 114 -3.521 -4.422 4.326 1.00 0.00 H new ATOM 0 HE3 TRP A 114 -2.760 0.118 1.544 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 -1.539 -2.758 5.430 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 -1.022 0.818 3.140 1.00 0.00 H new ATOM 0 HH2 TRP A 114 -0.417 -0.603 5.056 1.00 0.00 H new ATOM 1762 N GLU A 115 -6.397 -0.723 -1.459 1.00 0.00 N ATOM 1763 CA GLU A 115 -6.634 0.110 -2.632 1.00 0.00 C ATOM 1764 C GLU A 115 -7.640 1.215 -2.320 1.00 0.00 C ATOM 1765 O GLU A 115 -7.378 2.394 -2.560 1.00 0.00 O ATOM 1766 CB GLU A 115 -7.142 -0.742 -3.797 1.00 0.00 C ATOM 1767 CG GLU A 115 -7.379 0.049 -5.072 1.00 0.00 C ATOM 1768 CD GLU A 115 -8.485 -0.539 -5.926 1.00 0.00 C ATOM 1769 OE1 GLU A 115 -9.501 -0.987 -5.354 1.00 0.00 O ATOM 1770 OE2 GLU A 115 -8.336 -0.551 -7.166 1.00 0.00 O ATOM 0 H GLU A 115 -6.209 -1.703 -1.669 1.00 0.00 H new ATOM 0 HA GLU A 115 -5.688 0.572 -2.915 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -6.420 -1.533 -3.999 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -8.072 -1.227 -3.502 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -7.631 1.078 -4.815 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -6.456 0.082 -5.651 1.00 0.00 H new ATOM 1777 N LYS A 116 -8.791 0.825 -1.784 1.00 0.00 N ATOM 1778 CA LYS A 116 -9.837 1.781 -1.437 1.00 0.00 C ATOM 1779 C LYS A 116 -9.276 2.917 -0.589 1.00 0.00 C ATOM 1780 O LYS A 116 -9.575 4.087 -0.826 1.00 0.00 O ATOM 1781 CB LYS A 116 -10.969 1.078 -0.684 1.00 0.00 C ATOM 1782 CG LYS A 116 -11.981 0.406 -1.596 1.00 0.00 C ATOM 1783 CD LYS A 116 -12.862 1.425 -2.299 1.00 0.00 C ATOM 1784 CE LYS A 116 -13.705 0.778 -3.386 1.00 0.00 C ATOM 1785 NZ LYS A 116 -14.985 1.507 -3.603 1.00 0.00 N ATOM 0 H LYS A 116 -9.024 -0.147 -1.580 1.00 0.00 H new ATOM 0 HA LYS A 116 -10.231 2.203 -2.362 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -10.541 0.330 -0.017 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -11.484 1.806 -0.057 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -11.459 -0.198 -2.338 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -12.603 -0.273 -1.013 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -13.514 1.908 -1.571 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -12.239 2.206 -2.736 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -13.139 0.752 -4.317 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -13.918 -0.256 -3.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -15.531 1.035 -4.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -15.537 1.510 -2.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -14.783 2.487 -3.888 1.00 0.00 H new ATOM 1799 N ALA A 117 -8.461 2.565 0.400 1.00 0.00 N ATOM 1800 CA ALA A 117 -7.856 3.556 1.281 1.00 0.00 C ATOM 1801 C ALA A 117 -6.761 4.336 0.561 1.00 0.00 C ATOM 1802 O ALA A 117 -6.481 5.486 0.899 1.00 0.00 O ATOM 1803 CB ALA A 117 -7.296 2.884 2.526 1.00 0.00 C ATOM 0 H ALA A 117 -8.205 1.601 0.611 1.00 0.00 H new ATOM 0 HA ALA A 117 -8.632 4.261 1.580 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -6.847 3.636 3.175 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -8.101 2.378 3.059 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -6.538 2.156 2.237 1.00 0.00 H new ATOM 1809 N ILE A 118 -6.146 3.703 -0.432 1.00 0.00 N ATOM 1810 CA ILE A 118 -5.082 4.338 -1.200 1.00 0.00 C ATOM 1811 C ILE A 118 -5.611 5.532 -1.988 1.00 0.00 C ATOM 1812 O ILE A 118 -5.214 6.672 -1.748 1.00 0.00 O ATOM 1813 CB ILE A 118 -4.421 3.345 -2.175 1.00 0.00 C ATOM 1814 CG1 ILE A 118 -4.028 2.062 -1.441 1.00 0.00 C ATOM 1815 CG2 ILE A 118 -3.205 3.980 -2.833 1.00 0.00 C ATOM 1816 CD1 ILE A 118 -2.681 2.145 -0.757 1.00 0.00 C ATOM 0 H ILE A 118 -6.366 2.751 -0.724 1.00 0.00 H new ATOM 0 HA ILE A 118 -4.336 4.680 -0.483 1.00 0.00 H new ATOM 0 HB ILE A 118 -5.139 3.090 -2.954 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -4.790 1.831 -0.697 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -4.015 1.236 -2.152 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -2.748 3.267 -3.519 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -3.512 4.868 -3.385 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -2.482 4.261 -2.067 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -2.468 1.200 -0.257 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -1.908 2.345 -1.499 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -2.695 2.949 -0.022 1.00 0.00 H new ATOM 1828 N ARG A 119 -6.510 5.261 -2.929 1.00 0.00 N ATOM 1829 CA ARG A 119 -7.094 6.313 -3.753 1.00 0.00 C ATOM 1830 C ARG A 119 -7.872 7.306 -2.895 1.00 0.00 C ATOM 1831 O ARG A 119 -7.723 8.519 -3.044 1.00 0.00 O ATOM 1832 CB ARG A 119 -8.015 5.707 -4.813 1.00 0.00 C ATOM 1833 CG ARG A 119 -8.229 6.606 -6.019 1.00 0.00 C ATOM 1834 CD ARG A 119 -9.417 7.535 -5.819 1.00 0.00 C ATOM 1835 NE ARG A 119 -10.667 6.929 -6.266 1.00 0.00 N ATOM 1836 CZ ARG A 119 -10.957 6.697 -7.542 1.00 0.00 C ATOM 1837 NH1 ARG A 119 -10.089 7.019 -8.491 1.00 0.00 N ATOM 1838 NH2 ARG A 119 -12.116 6.142 -7.870 1.00 0.00 N ATOM 0 H ARG A 119 -6.850 4.323 -3.140 1.00 0.00 H new ATOM 0 HA ARG A 119 -6.282 6.845 -4.248 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -7.595 4.758 -5.148 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -8.981 5.486 -4.359 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -7.330 7.196 -6.198 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -8.390 5.994 -6.906 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -9.498 7.797 -4.764 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -9.248 8.462 -6.366 1.00 0.00 H new ATOM 0 HE ARG A 119 -11.356 6.669 -5.560 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -9.197 7.446 -8.242 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -10.314 6.840 -9.470 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -12.786 5.893 -7.143 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -12.337 5.965 -8.850 1.00 0.00 H new ATOM 1852 N GLN A 120 -8.701 6.783 -1.998 1.00 0.00 N ATOM 1853 CA GLN A 120 -9.503 7.624 -1.117 1.00 0.00 C ATOM 1854 C GLN A 120 -8.638 8.678 -0.434 1.00 0.00 C ATOM 1855 O GLN A 120 -9.097 9.784 -0.151 1.00 0.00 O ATOM 1856 CB GLN A 120 -10.212 6.769 -0.066 1.00 0.00 C ATOM 1857 CG GLN A 120 -11.121 7.566 0.855 1.00 0.00 C ATOM 1858 CD GLN A 120 -10.386 8.136 2.052 1.00 0.00 C ATOM 1859 OE1 GLN A 120 -9.743 7.405 2.806 1.00 0.00 O ATOM 1860 NE2 GLN A 120 -10.476 9.449 2.232 1.00 0.00 N ATOM 0 H GLN A 120 -8.835 5.781 -1.862 1.00 0.00 H new ATOM 0 HA GLN A 120 -10.251 8.133 -1.725 1.00 0.00 H new ATOM 0 HB2 GLN A 120 -10.801 6.003 -0.570 1.00 0.00 H new ATOM 0 HB3 GLN A 120 -9.464 6.252 0.534 1.00 0.00 H new ATOM 0 HG2 GLN A 120 -11.578 8.380 0.293 1.00 0.00 H new ATOM 0 HG3 GLN A 120 -11.931 6.925 1.203 1.00 0.00 H new ATOM 0 HE21 GLN A 120 -11.020 10.017 1.582 1.00 0.00 H new ATOM 0 HE22 GLN A 120 -10.001 9.889 3.020 1.00 0.00 H new ATOM 1869 N ALA A 121 -7.383 8.326 -0.172 1.00 0.00 N ATOM 1870 CA ALA A 121 -6.453 9.242 0.477 1.00 0.00 C ATOM 1871 C ALA A 121 -6.133 10.430 -0.425 1.00 0.00 C ATOM 1872 O ALA A 121 -5.968 11.555 0.048 1.00 0.00 O ATOM 1873 CB ALA A 121 -5.176 8.511 0.863 1.00 0.00 C ATOM 0 H ALA A 121 -6.987 7.414 -0.399 1.00 0.00 H new ATOM 0 HA ALA A 121 -6.928 9.623 1.381 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -4.490 9.207 1.347 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -5.415 7.700 1.551 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -4.706 8.102 -0.032 1.00 0.00 H new ATOM 1879 N LEU A 122 -6.046 10.172 -1.726 1.00 0.00 N ATOM 1880 CA LEU A 122 -5.745 11.221 -2.694 1.00 0.00 C ATOM 1881 C LEU A 122 -6.837 12.285 -2.702 1.00 0.00 C ATOM 1882 O LEU A 122 -6.696 13.329 -3.338 1.00 0.00 O ATOM 1883 CB LEU A 122 -5.592 10.621 -4.093 1.00 0.00 C ATOM 1884 CG LEU A 122 -4.219 10.034 -4.425 1.00 0.00 C ATOM 1885 CD1 LEU A 122 -4.131 8.588 -3.964 1.00 0.00 C ATOM 1886 CD2 LEU A 122 -3.942 10.137 -5.918 1.00 0.00 C ATOM 0 H LEU A 122 -6.179 9.247 -2.134 1.00 0.00 H new ATOM 0 HA LEU A 122 -4.807 11.693 -2.402 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -6.339 9.837 -4.214 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -5.821 11.395 -4.826 1.00 0.00 H new ATOM 0 HG LEU A 122 -3.461 10.610 -3.894 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -3.147 8.187 -4.209 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -4.285 8.540 -2.886 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -4.898 7.999 -4.466 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -2.961 9.715 -6.136 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -4.705 9.586 -6.468 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -3.962 11.184 -6.220 1.00 0.00 H new