USER MOD reduce.3.24.130724 H: found=0, std=0, add=652, rem=0, adj=20 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 83 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 86 TYR OH : rot 20:sc= 0.0613 USER MOD Set 2.1: A 40 GLN : amide:sc= -2.14! C(o=-3.9!,f=-5!) USER MOD Set 2.2: A 41 ASN : amide:sc= -1.76 K(o=-3.9,f=-6.3) USER MOD Single : A 10 LYS NZ :NH3+ -154:sc= -0.222 (180deg=-0.975) USER MOD Single : A 14 MET CE :methyl -168:sc= -0.13 (180deg=-0.502) USER MOD Single : A 16 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0.205 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -1.53 K(o=-1.5,f=-2.1) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HD1:sc= -4.77! K(o=-4.8!,f=-2.5) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 0:sc= 0.987 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 CYS SG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.0053 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 75 HIS : no HE2:sc= -5.68! C(o=-5.7!,f=-7.5!) USER MOD Single : A 76 CYS SG : rot -60:sc= 0.0194 USER MOD Single : A 81 THR OG1 : rot 2:sc= 0.928 USER MOD Single : A 84 MET CE :methyl -144:sc= -1.52 (180deg=-4.39!) USER MOD Single : A 91 ASN : amide:sc= -0.976 K(o=-0.98,f=-0.045) USER MOD Single : A 112 GLN : amide:sc= -0.21 X(o=-0.21,f=-0.66) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 116 LYS NZ :NH3+ -160:sc= -0.0256 (180deg=-0.224) USER MOD Single : A 120 GLN : amide:sc= -0.598 X(o=-0.6,f=-0.61) USER MOD ----------------------------------------------------------------- ATOM 99 N LYS A 10 -3.304 3.565 8.778 1.00 0.00 N ATOM 100 CA LYS A 10 -3.496 2.154 8.466 1.00 0.00 C ATOM 101 C LYS A 10 -2.188 1.513 8.015 1.00 0.00 C ATOM 102 O LYS A 10 -1.511 2.024 7.123 1.00 0.00 O ATOM 103 CB LYS A 10 -4.558 1.992 7.375 1.00 0.00 C ATOM 104 CG LYS A 10 -4.948 0.547 7.116 1.00 0.00 C ATOM 105 CD LYS A 10 -5.709 0.400 5.810 1.00 0.00 C ATOM 106 CE LYS A 10 -4.768 0.149 4.641 1.00 0.00 C ATOM 107 NZ LYS A 10 -4.314 1.420 4.011 1.00 0.00 N ATOM 0 HA LYS A 10 -3.833 1.650 9.372 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -5.447 2.554 7.659 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -4.186 2.431 6.449 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -4.052 -0.073 7.088 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -5.562 0.182 7.939 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -6.418 -0.424 5.891 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -6.290 1.303 5.623 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -3.901 -0.415 4.987 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -5.271 -0.466 3.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -4.065 1.245 3.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -5.079 2.123 4.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -3.481 1.781 4.518 1.00 0.00 H new ATOM 121 N GLU A 11 -1.838 0.391 8.637 1.00 0.00 N ATOM 122 CA GLU A 11 -0.611 -0.319 8.298 1.00 0.00 C ATOM 123 C GLU A 11 -0.825 -1.829 8.345 1.00 0.00 C ATOM 124 O GLU A 11 -1.889 -2.304 8.740 1.00 0.00 O ATOM 125 CB GLU A 11 0.515 0.078 9.256 1.00 0.00 C ATOM 126 CG GLU A 11 0.158 -0.101 10.722 1.00 0.00 C ATOM 127 CD GLU A 11 1.089 0.658 11.646 1.00 0.00 C ATOM 128 OE1 GLU A 11 1.693 1.653 11.193 1.00 0.00 O ATOM 129 OE2 GLU A 11 1.215 0.258 12.822 1.00 0.00 O ATOM 0 H GLU A 11 -2.387 -0.045 9.378 1.00 0.00 H new ATOM 0 HA GLU A 11 -0.329 -0.041 7.282 1.00 0.00 H new ATOM 0 HB2 GLU A 11 1.399 -0.518 9.031 1.00 0.00 H new ATOM 0 HB3 GLU A 11 0.780 1.121 9.080 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -0.865 0.236 10.887 1.00 0.00 H new ATOM 0 HG3 GLU A 11 0.188 -1.161 10.973 1.00 0.00 H new ATOM 136 N GLY A 12 0.195 -2.578 7.937 1.00 0.00 N ATOM 137 CA GLY A 12 0.099 -4.026 7.939 1.00 0.00 C ATOM 138 C GLY A 12 1.008 -4.669 6.910 1.00 0.00 C ATOM 139 O GLY A 12 1.443 -4.016 5.963 1.00 0.00 O ATOM 0 H GLY A 12 1.086 -2.208 7.605 1.00 0.00 H new ATOM 0 HA2 GLY A 12 0.353 -4.402 8.930 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -0.932 -4.319 7.742 1.00 0.00 H new ATOM 143 N TRP A 13 1.296 -5.952 7.098 1.00 0.00 N ATOM 144 CA TRP A 13 2.162 -6.683 6.179 1.00 0.00 C ATOM 145 C TRP A 13 1.485 -6.869 4.826 1.00 0.00 C ATOM 146 O TRP A 13 0.332 -7.293 4.751 1.00 0.00 O ATOM 147 CB TRP A 13 2.532 -8.044 6.769 1.00 0.00 C ATOM 148 CG TRP A 13 3.356 -7.946 8.018 1.00 0.00 C ATOM 149 CD1 TRP A 13 2.894 -7.817 9.296 1.00 0.00 C ATOM 150 CD2 TRP A 13 4.785 -7.968 8.106 1.00 0.00 C ATOM 151 NE1 TRP A 13 3.949 -7.756 10.174 1.00 0.00 N ATOM 152 CE2 TRP A 13 5.120 -7.848 9.469 1.00 0.00 C ATOM 153 CE3 TRP A 13 5.813 -8.079 7.166 1.00 0.00 C ATOM 154 CZ2 TRP A 13 6.440 -7.835 9.912 1.00 0.00 C ATOM 155 CZ3 TRP A 13 7.123 -8.066 7.608 1.00 0.00 C ATOM 156 CH2 TRP A 13 7.427 -7.946 8.971 1.00 0.00 C ATOM 0 H TRP A 13 0.943 -6.507 7.877 1.00 0.00 H new ATOM 0 HA TRP A 13 3.071 -6.099 6.033 1.00 0.00 H new ATOM 0 HB2 TRP A 13 1.619 -8.598 6.987 1.00 0.00 H new ATOM 0 HB3 TRP A 13 3.082 -8.618 6.023 1.00 0.00 H new ATOM 0 HD1 TRP A 13 1.852 -7.770 9.576 1.00 0.00 H new ATOM 0 HE1 TRP A 13 3.873 -7.658 11.186 1.00 0.00 H new ATOM 0 HE3 TRP A 13 5.588 -8.173 6.114 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 6.676 -7.741 10.962 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 7.926 -8.150 6.891 1.00 0.00 H new ATOM 0 HH2 TRP A 13 8.460 -7.941 9.285 1.00 0.00 H new ATOM 167 N MET A 14 2.209 -6.550 3.758 1.00 0.00 N ATOM 168 CA MET A 14 1.677 -6.684 2.406 1.00 0.00 C ATOM 169 C MET A 14 2.787 -7.019 1.416 1.00 0.00 C ATOM 170 O MET A 14 3.954 -6.702 1.646 1.00 0.00 O ATOM 171 CB MET A 14 0.971 -5.394 1.983 1.00 0.00 C ATOM 172 CG MET A 14 0.211 -5.520 0.673 1.00 0.00 C ATOM 173 SD MET A 14 -1.230 -4.438 0.600 1.00 0.00 S ATOM 174 CE MET A 14 -2.521 -5.558 1.137 1.00 0.00 C ATOM 0 H MET A 14 3.165 -6.197 3.802 1.00 0.00 H new ATOM 0 HA MET A 14 0.956 -7.501 2.405 1.00 0.00 H new ATOM 0 HB2 MET A 14 0.278 -5.094 2.769 1.00 0.00 H new ATOM 0 HB3 MET A 14 1.710 -4.598 1.890 1.00 0.00 H new ATOM 0 HG2 MET A 14 0.880 -5.284 -0.155 1.00 0.00 H new ATOM 0 HG3 MET A 14 -0.108 -6.554 0.541 1.00 0.00 H new ATOM 0 HE1 MET A 14 -3.495 -5.109 0.944 1.00 0.00 H new ATOM 0 HE2 MET A 14 -2.439 -6.497 0.590 1.00 0.00 H new ATOM 0 HE3 MET A 14 -2.415 -5.750 2.205 1.00 0.00 H new ATOM 184 N VAL A 15 2.416 -7.661 0.313 1.00 0.00 N ATOM 185 CA VAL A 15 3.381 -8.038 -0.713 1.00 0.00 C ATOM 186 C VAL A 15 3.093 -7.322 -2.028 1.00 0.00 C ATOM 187 O VAL A 15 1.941 -7.023 -2.345 1.00 0.00 O ATOM 188 CB VAL A 15 3.376 -9.559 -0.957 1.00 0.00 C ATOM 189 CG1 VAL A 15 3.461 -10.312 0.362 1.00 0.00 C ATOM 190 CG2 VAL A 15 2.135 -9.969 -1.736 1.00 0.00 C ATOM 0 H VAL A 15 1.454 -7.931 0.107 1.00 0.00 H new ATOM 0 HA VAL A 15 4.364 -7.740 -0.348 1.00 0.00 H new ATOM 0 HB VAL A 15 4.252 -9.817 -1.552 1.00 0.00 H new ATOM 0 HG11 VAL A 15 3.456 -11.385 0.169 1.00 0.00 H new ATOM 0 HG12 VAL A 15 4.382 -10.040 0.878 1.00 0.00 H new ATOM 0 HG13 VAL A 15 2.606 -10.051 0.985 1.00 0.00 H new ATOM 0 HG21 VAL A 15 2.148 -11.047 -1.900 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.244 -9.698 -1.170 1.00 0.00 H new ATOM 0 HG23 VAL A 15 2.123 -9.456 -2.698 1.00 0.00 H new ATOM 200 N HIS A 16 4.147 -7.051 -2.792 1.00 0.00 N ATOM 201 CA HIS A 16 4.007 -6.371 -4.074 1.00 0.00 C ATOM 202 C HIS A 16 5.162 -6.725 -5.006 1.00 0.00 C ATOM 203 O HIS A 16 6.195 -7.231 -4.566 1.00 0.00 O ATOM 204 CB HIS A 16 3.948 -4.857 -3.869 1.00 0.00 C ATOM 205 CG HIS A 16 5.294 -4.222 -3.708 1.00 0.00 C ATOM 206 ND1 HIS A 16 6.023 -4.288 -2.539 1.00 0.00 N ATOM 207 CD2 HIS A 16 6.045 -3.506 -4.577 1.00 0.00 C ATOM 208 CE1 HIS A 16 7.163 -3.639 -2.696 1.00 0.00 C ATOM 209 NE2 HIS A 16 7.201 -3.155 -3.924 1.00 0.00 N ATOM 0 H HIS A 16 5.107 -7.292 -2.545 1.00 0.00 H new ATOM 0 HA HIS A 16 3.077 -6.704 -4.534 1.00 0.00 H new ATOM 0 HB2 HIS A 16 3.441 -4.403 -4.720 1.00 0.00 H new ATOM 0 HB3 HIS A 16 3.346 -4.641 -2.987 1.00 0.00 H new ATOM 0 HD2 HIS A 16 5.784 -3.257 -5.595 1.00 0.00 H new ATOM 0 HE1 HIS A 16 7.933 -3.524 -1.947 1.00 0.00 H new ATOM 0 HE2 HIS A 16 7.965 -2.609 -4.323 1.00 0.00 H new ATOM 218 N TYR A 17 4.980 -6.457 -6.294 1.00 0.00 N ATOM 219 CA TYR A 17 6.006 -6.750 -7.288 1.00 0.00 C ATOM 220 C TYR A 17 5.898 -5.802 -8.478 1.00 0.00 C ATOM 221 O TYR A 17 4.877 -5.141 -8.671 1.00 0.00 O ATOM 222 CB TYR A 17 5.885 -8.199 -7.764 1.00 0.00 C ATOM 223 CG TYR A 17 4.518 -8.546 -8.308 1.00 0.00 C ATOM 224 CD1 TYR A 17 3.469 -8.865 -7.453 1.00 0.00 C ATOM 225 CD2 TYR A 17 4.275 -8.556 -9.675 1.00 0.00 C ATOM 226 CE1 TYR A 17 2.219 -9.184 -7.946 1.00 0.00 C ATOM 227 CE2 TYR A 17 3.027 -8.871 -10.177 1.00 0.00 C ATOM 228 CZ TYR A 17 2.002 -9.185 -9.308 1.00 0.00 C ATOM 229 OH TYR A 17 0.758 -9.501 -9.803 1.00 0.00 O ATOM 0 H TYR A 17 4.132 -6.037 -6.674 1.00 0.00 H new ATOM 0 HA TYR A 17 6.980 -6.608 -6.820 1.00 0.00 H new ATOM 0 HB2 TYR A 17 6.631 -8.382 -8.537 1.00 0.00 H new ATOM 0 HB3 TYR A 17 6.116 -8.866 -6.933 1.00 0.00 H new ATOM 0 HD1 TYR A 17 3.634 -8.863 -6.386 1.00 0.00 H new ATOM 0 HD2 TYR A 17 5.076 -8.313 -10.358 1.00 0.00 H new ATOM 0 HE1 TYR A 17 1.415 -9.431 -7.268 1.00 0.00 H new ATOM 0 HE2 TYR A 17 2.855 -8.871 -11.243 1.00 0.00 H new ATOM 0 HH TYR A 17 0.774 -9.454 -10.782 1.00 0.00 H new ATOM 239 N THR A 18 6.960 -5.741 -9.276 1.00 0.00 N ATOM 240 CA THR A 18 6.988 -4.874 -10.447 1.00 0.00 C ATOM 241 C THR A 18 6.620 -5.645 -11.710 1.00 0.00 C ATOM 242 O THR A 18 6.277 -6.826 -11.650 1.00 0.00 O ATOM 243 CB THR A 18 8.374 -4.230 -10.638 1.00 0.00 C ATOM 244 OG1 THR A 18 9.396 -5.228 -10.532 1.00 0.00 O ATOM 245 CG2 THR A 18 8.612 -3.141 -9.602 1.00 0.00 C ATOM 0 H THR A 18 7.812 -6.282 -9.132 1.00 0.00 H new ATOM 0 HA THR A 18 6.252 -4.088 -10.276 1.00 0.00 H new ATOM 0 HB THR A 18 8.408 -3.779 -11.630 1.00 0.00 H new ATOM 0 HG1 THR A 18 10.274 -4.811 -10.656 1.00 0.00 H new ATOM 0 HG21 THR A 18 9.597 -2.701 -9.757 1.00 0.00 H new ATOM 0 HG22 THR A 18 7.849 -2.369 -9.704 1.00 0.00 H new ATOM 0 HG23 THR A 18 8.560 -3.572 -8.602 1.00 0.00 H new ATOM 253 N SER A 19 6.694 -4.970 -12.852 1.00 0.00 N ATOM 254 CA SER A 19 6.366 -5.591 -14.130 1.00 0.00 C ATOM 255 C SER A 19 7.626 -6.085 -14.834 1.00 0.00 C ATOM 256 O SER A 19 7.586 -7.048 -15.600 1.00 0.00 O ATOM 257 CB SER A 19 5.622 -4.599 -15.027 1.00 0.00 C ATOM 258 OG SER A 19 5.064 -5.251 -16.155 1.00 0.00 O ATOM 0 H SER A 19 6.978 -3.993 -12.919 1.00 0.00 H new ATOM 0 HA SER A 19 5.721 -6.448 -13.934 1.00 0.00 H new ATOM 0 HB2 SER A 19 4.831 -4.111 -14.457 1.00 0.00 H new ATOM 0 HB3 SER A 19 6.307 -3.817 -15.356 1.00 0.00 H new ATOM 0 HG SER A 19 4.593 -4.596 -16.711 1.00 0.00 H new ATOM 264 N ARG A 20 8.745 -5.418 -14.568 1.00 0.00 N ATOM 265 CA ARG A 20 10.017 -5.787 -15.176 1.00 0.00 C ATOM 266 C ARG A 20 10.631 -6.990 -14.465 1.00 0.00 C ATOM 267 O ARG A 20 10.932 -8.006 -15.092 1.00 0.00 O ATOM 268 CB ARG A 20 10.989 -4.606 -15.133 1.00 0.00 C ATOM 269 CG ARG A 20 12.123 -4.713 -16.140 1.00 0.00 C ATOM 270 CD ARG A 20 13.252 -3.749 -15.812 1.00 0.00 C ATOM 271 NE ARG A 20 13.781 -3.962 -14.468 1.00 0.00 N ATOM 272 CZ ARG A 20 14.574 -3.098 -13.845 1.00 0.00 C ATOM 273 NH1 ARG A 20 14.928 -1.968 -14.442 1.00 0.00 N ATOM 274 NH2 ARG A 20 15.015 -3.363 -12.621 1.00 0.00 N ATOM 0 H ARG A 20 8.796 -4.619 -13.935 1.00 0.00 H new ATOM 0 HA ARG A 20 9.829 -6.057 -16.215 1.00 0.00 H new ATOM 0 HB2 ARG A 20 10.436 -3.685 -15.317 1.00 0.00 H new ATOM 0 HB3 ARG A 20 11.411 -4.530 -14.131 1.00 0.00 H new ATOM 0 HG2 ARG A 20 12.506 -5.733 -16.151 1.00 0.00 H new ATOM 0 HG3 ARG A 20 11.744 -4.504 -17.140 1.00 0.00 H new ATOM 0 HD2 ARG A 20 14.054 -3.869 -16.540 1.00 0.00 H new ATOM 0 HD3 ARG A 20 12.891 -2.724 -15.901 1.00 0.00 H new ATOM 0 HE ARG A 20 13.528 -4.822 -13.981 1.00 0.00 H new ATOM 0 HH11 ARG A 20 14.591 -1.761 -15.382 1.00 0.00 H new ATOM 0 HH12 ARG A 20 15.537 -1.306 -13.961 1.00 0.00 H new ATOM 0 HH21 ARG A 20 14.745 -4.231 -12.158 1.00 0.00 H new ATOM 0 HH22 ARG A 20 15.624 -2.699 -12.143 1.00 0.00 H new ATOM 288 N ASP A 21 10.813 -6.867 -13.155 1.00 0.00 N ATOM 289 CA ASP A 21 11.389 -7.944 -12.359 1.00 0.00 C ATOM 290 C ASP A 21 10.299 -8.861 -11.814 1.00 0.00 C ATOM 291 O ASP A 21 10.411 -10.084 -11.883 1.00 0.00 O ATOM 292 CB ASP A 21 12.213 -7.370 -11.206 1.00 0.00 C ATOM 293 CG ASP A 21 13.664 -7.146 -11.585 1.00 0.00 C ATOM 294 OD1 ASP A 21 14.160 -7.863 -12.479 1.00 0.00 O ATOM 295 OD2 ASP A 21 14.303 -6.254 -10.988 1.00 0.00 O ATOM 0 H ASP A 21 10.570 -6.032 -12.622 1.00 0.00 H new ATOM 0 HA ASP A 21 12.042 -8.530 -13.006 1.00 0.00 H new ATOM 0 HB2 ASP A 21 11.774 -6.425 -10.885 1.00 0.00 H new ATOM 0 HB3 ASP A 21 12.164 -8.049 -10.355 1.00 0.00 H new ATOM 300 N ASN A 22 9.245 -8.261 -11.272 1.00 0.00 N ATOM 301 CA ASN A 22 8.134 -9.024 -10.713 1.00 0.00 C ATOM 302 C ASN A 22 8.566 -9.773 -9.457 1.00 0.00 C ATOM 303 O ASN A 22 8.058 -10.855 -9.159 1.00 0.00 O ATOM 304 CB ASN A 22 7.595 -10.012 -11.750 1.00 0.00 C ATOM 305 CG ASN A 22 7.398 -9.372 -13.111 1.00 0.00 C ATOM 306 OD1 ASN A 22 6.361 -8.766 -13.380 1.00 0.00 O ATOM 307 ND2 ASN A 22 8.397 -9.505 -13.976 1.00 0.00 N ATOM 0 H ASN A 22 9.136 -7.249 -11.208 1.00 0.00 H new ATOM 0 HA ASN A 22 7.344 -8.324 -10.443 1.00 0.00 H new ATOM 0 HB2 ASN A 22 8.286 -10.850 -11.842 1.00 0.00 H new ATOM 0 HB3 ASN A 22 6.645 -10.418 -11.402 1.00 0.00 H new ATOM 0 HD21 ASN A 22 8.323 -9.096 -14.907 1.00 0.00 H new ATOM 0 HD22 ASN A 22 9.238 -10.016 -13.709 1.00 0.00 H new ATOM 314 N LEU A 23 9.508 -9.191 -8.722 1.00 0.00 N ATOM 315 CA LEU A 23 10.009 -9.803 -7.496 1.00 0.00 C ATOM 316 C LEU A 23 9.063 -9.537 -6.329 1.00 0.00 C ATOM 317 O LEU A 23 8.957 -8.409 -5.848 1.00 0.00 O ATOM 318 CB LEU A 23 11.404 -9.267 -7.169 1.00 0.00 C ATOM 319 CG LEU A 23 12.289 -10.176 -6.315 1.00 0.00 C ATOM 320 CD1 LEU A 23 11.520 -10.686 -5.106 1.00 0.00 C ATOM 321 CD2 LEU A 23 12.816 -11.339 -7.143 1.00 0.00 C ATOM 0 H LEU A 23 9.940 -8.297 -8.954 1.00 0.00 H new ATOM 0 HA LEU A 23 10.068 -10.880 -7.654 1.00 0.00 H new ATOM 0 HB2 LEU A 23 11.923 -9.065 -8.106 1.00 0.00 H new ATOM 0 HB3 LEU A 23 11.293 -8.313 -6.654 1.00 0.00 H new ATOM 0 HG LEU A 23 13.140 -9.594 -5.961 1.00 0.00 H new ATOM 0 HD11 LEU A 23 12.165 -11.331 -4.510 1.00 0.00 H new ATOM 0 HD12 LEU A 23 11.192 -9.841 -4.500 1.00 0.00 H new ATOM 0 HD13 LEU A 23 10.650 -11.252 -5.440 1.00 0.00 H new ATOM 0 HD21 LEU A 23 13.444 -11.975 -6.519 1.00 0.00 H new ATOM 0 HD22 LEU A 23 11.978 -11.921 -7.527 1.00 0.00 H new ATOM 0 HD23 LEU A 23 13.404 -10.955 -7.977 1.00 0.00 H new ATOM 333 N ARG A 24 8.381 -10.584 -5.877 1.00 0.00 N ATOM 334 CA ARG A 24 7.445 -10.464 -4.765 1.00 0.00 C ATOM 335 C ARG A 24 8.179 -10.123 -3.472 1.00 0.00 C ATOM 336 O ARG A 24 8.998 -10.903 -2.985 1.00 0.00 O ATOM 337 CB ARG A 24 6.659 -11.765 -4.590 1.00 0.00 C ATOM 338 CG ARG A 24 5.406 -11.609 -3.744 1.00 0.00 C ATOM 339 CD ARG A 24 4.846 -12.960 -3.324 1.00 0.00 C ATOM 340 NE ARG A 24 3.683 -12.823 -2.452 1.00 0.00 N ATOM 341 CZ ARG A 24 3.178 -13.822 -1.737 1.00 0.00 C ATOM 342 NH1 ARG A 24 3.734 -15.025 -1.789 1.00 0.00 N ATOM 343 NH2 ARG A 24 2.117 -13.619 -0.967 1.00 0.00 N ATOM 0 H ARG A 24 8.459 -11.525 -6.263 1.00 0.00 H new ATOM 0 HA ARG A 24 6.750 -9.655 -4.993 1.00 0.00 H new ATOM 0 HB2 ARG A 24 6.379 -12.146 -5.572 1.00 0.00 H new ATOM 0 HB3 ARG A 24 7.307 -12.512 -4.131 1.00 0.00 H new ATOM 0 HG2 ARG A 24 5.635 -11.017 -2.858 1.00 0.00 H new ATOM 0 HG3 ARG A 24 4.651 -11.060 -4.307 1.00 0.00 H new ATOM 0 HD2 ARG A 24 4.569 -13.529 -4.211 1.00 0.00 H new ATOM 0 HD3 ARG A 24 5.620 -13.529 -2.809 1.00 0.00 H new ATOM 0 HE ARG A 24 3.233 -11.910 -2.388 1.00 0.00 H new ATOM 0 HH11 ARG A 24 4.551 -15.184 -2.379 1.00 0.00 H new ATOM 0 HH12 ARG A 24 3.345 -15.791 -1.239 1.00 0.00 H new ATOM 0 HH21 ARG A 24 1.688 -12.695 -0.923 1.00 0.00 H new ATOM 0 HH22 ARG A 24 1.730 -14.387 -0.419 1.00 0.00 H new ATOM 357 N LYS A 25 7.880 -8.952 -2.920 1.00 0.00 N ATOM 358 CA LYS A 25 8.509 -8.505 -1.682 1.00 0.00 C ATOM 359 C LYS A 25 7.461 -8.219 -0.612 1.00 0.00 C ATOM 360 O LYS A 25 6.495 -7.495 -0.854 1.00 0.00 O ATOM 361 CB LYS A 25 9.350 -7.252 -1.937 1.00 0.00 C ATOM 362 CG LYS A 25 10.586 -7.511 -2.781 1.00 0.00 C ATOM 363 CD LYS A 25 11.288 -6.215 -3.152 1.00 0.00 C ATOM 364 CE LYS A 25 12.673 -6.476 -3.726 1.00 0.00 C ATOM 365 NZ LYS A 25 13.675 -6.740 -2.657 1.00 0.00 N ATOM 0 H LYS A 25 7.205 -8.294 -3.311 1.00 0.00 H new ATOM 0 HA LYS A 25 9.158 -9.304 -1.324 1.00 0.00 H new ATOM 0 HB2 LYS A 25 8.731 -6.504 -2.433 1.00 0.00 H new ATOM 0 HB3 LYS A 25 9.656 -6.829 -0.980 1.00 0.00 H new ATOM 0 HG2 LYS A 25 11.274 -8.155 -2.233 1.00 0.00 H new ATOM 0 HG3 LYS A 25 10.303 -8.046 -3.688 1.00 0.00 H new ATOM 0 HD2 LYS A 25 10.688 -5.670 -3.881 1.00 0.00 H new ATOM 0 HD3 LYS A 25 11.372 -5.580 -2.270 1.00 0.00 H new ATOM 0 HE2 LYS A 25 12.631 -7.329 -4.403 1.00 0.00 H new ATOM 0 HE3 LYS A 25 12.990 -5.616 -4.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 14.605 -6.913 -3.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 13.734 -5.916 -2.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 13.386 -7.576 -2.109 1.00 0.00 H new ATOM 379 N ARG A 26 7.660 -8.789 0.572 1.00 0.00 N ATOM 380 CA ARG A 26 6.732 -8.594 1.679 1.00 0.00 C ATOM 381 C ARG A 26 7.356 -7.722 2.765 1.00 0.00 C ATOM 382 O ARG A 26 8.429 -8.032 3.285 1.00 0.00 O ATOM 383 CB ARG A 26 6.318 -9.943 2.270 1.00 0.00 C ATOM 384 CG ARG A 26 5.382 -9.825 3.461 1.00 0.00 C ATOM 385 CD ARG A 26 5.081 -11.185 4.071 1.00 0.00 C ATOM 386 NE ARG A 26 4.681 -11.082 5.471 1.00 0.00 N ATOM 387 CZ ARG A 26 5.524 -10.794 6.457 1.00 0.00 C ATOM 388 NH1 ARG A 26 6.807 -10.583 6.197 1.00 0.00 N ATOM 389 NH2 ARG A 26 5.084 -10.717 7.707 1.00 0.00 N ATOM 0 H ARG A 26 8.455 -9.389 0.789 1.00 0.00 H new ATOM 0 HA ARG A 26 5.848 -8.087 1.293 1.00 0.00 H new ATOM 0 HB2 ARG A 26 5.833 -10.536 1.495 1.00 0.00 H new ATOM 0 HB3 ARG A 26 7.212 -10.487 2.574 1.00 0.00 H new ATOM 0 HG2 ARG A 26 5.831 -9.178 4.215 1.00 0.00 H new ATOM 0 HG3 ARG A 26 4.451 -9.352 3.148 1.00 0.00 H new ATOM 0 HD2 ARG A 26 4.287 -11.669 3.502 1.00 0.00 H new ATOM 0 HD3 ARG A 26 5.963 -11.821 3.992 1.00 0.00 H new ATOM 0 HE ARG A 26 3.701 -11.240 5.705 1.00 0.00 H new ATOM 0 HH11 ARG A 26 7.149 -10.642 5.238 1.00 0.00 H new ATOM 0 HH12 ARG A 26 7.452 -10.362 6.956 1.00 0.00 H new ATOM 0 HH21 ARG A 26 4.098 -10.879 7.911 1.00 0.00 H new ATOM 0 HH22 ARG A 26 5.732 -10.496 8.463 1.00 0.00 H new ATOM 403 N HIS A 27 6.678 -6.629 3.101 1.00 0.00 N ATOM 404 CA HIS A 27 7.167 -5.712 4.125 1.00 0.00 C ATOM 405 C HIS A 27 6.005 -5.058 4.868 1.00 0.00 C ATOM 406 O HIS A 27 4.875 -5.040 4.380 1.00 0.00 O ATOM 407 CB HIS A 27 8.053 -4.637 3.496 1.00 0.00 C ATOM 408 CG HIS A 27 9.166 -5.192 2.660 1.00 0.00 C ATOM 409 ND1 HIS A 27 9.360 -4.847 1.339 1.00 0.00 N ATOM 410 CD2 HIS A 27 10.148 -6.072 2.966 1.00 0.00 C ATOM 411 CE1 HIS A 27 10.412 -5.491 0.868 1.00 0.00 C ATOM 412 NE2 HIS A 27 10.909 -6.241 1.835 1.00 0.00 N ATOM 0 H HIS A 27 5.790 -6.357 2.680 1.00 0.00 H new ATOM 0 HA HIS A 27 7.757 -6.286 4.840 1.00 0.00 H new ATOM 0 HB2 HIS A 27 7.436 -3.985 2.878 1.00 0.00 H new ATOM 0 HB3 HIS A 27 8.477 -4.019 4.287 1.00 0.00 H new ATOM 0 HD2 HIS A 27 10.304 -6.552 3.921 1.00 0.00 H new ATOM 0 HE1 HIS A 27 10.800 -5.417 -0.137 1.00 0.00 H new ATOM 0 HE2 HIS A 27 11.725 -6.847 1.755 1.00 0.00 H new ATOM 421 N TYR A 28 6.291 -4.525 6.050 1.00 0.00 N ATOM 422 CA TYR A 28 5.269 -3.874 6.862 1.00 0.00 C ATOM 423 C TYR A 28 4.787 -2.586 6.200 1.00 0.00 C ATOM 424 O TYR A 28 5.294 -1.501 6.485 1.00 0.00 O ATOM 425 CB TYR A 28 5.815 -3.569 8.258 1.00 0.00 C ATOM 426 CG TYR A 28 4.740 -3.441 9.314 1.00 0.00 C ATOM 427 CD1 TYR A 28 4.138 -4.568 9.861 1.00 0.00 C ATOM 428 CD2 TYR A 28 4.327 -2.194 9.765 1.00 0.00 C ATOM 429 CE1 TYR A 28 3.155 -4.455 10.824 1.00 0.00 C ATOM 430 CE2 TYR A 28 3.346 -2.072 10.730 1.00 0.00 C ATOM 431 CZ TYR A 28 2.762 -3.205 11.256 1.00 0.00 C ATOM 432 OH TYR A 28 1.785 -3.089 12.217 1.00 0.00 O ATOM 0 H TYR A 28 7.222 -4.531 6.468 1.00 0.00 H new ATOM 0 HA TYR A 28 4.423 -4.555 6.951 1.00 0.00 H new ATOM 0 HB2 TYR A 28 6.506 -4.360 8.549 1.00 0.00 H new ATOM 0 HB3 TYR A 28 6.388 -2.642 8.220 1.00 0.00 H new ATOM 0 HD1 TYR A 28 4.444 -5.548 9.527 1.00 0.00 H new ATOM 0 HD2 TYR A 28 4.781 -1.304 9.354 1.00 0.00 H new ATOM 0 HE1 TYR A 28 2.696 -5.341 11.237 1.00 0.00 H new ATOM 0 HE2 TYR A 28 3.038 -1.094 11.071 1.00 0.00 H new ATOM 0 HH TYR A 28 1.626 -2.141 12.410 1.00 0.00 H new ATOM 442 N TRP A 29 3.803 -2.716 5.318 1.00 0.00 N ATOM 443 CA TRP A 29 3.250 -1.563 4.615 1.00 0.00 C ATOM 444 C TRP A 29 2.529 -0.631 5.582 1.00 0.00 C ATOM 445 O TRP A 29 1.546 -1.018 6.214 1.00 0.00 O ATOM 446 CB TRP A 29 2.290 -2.022 3.517 1.00 0.00 C ATOM 447 CG TRP A 29 2.960 -2.240 2.194 1.00 0.00 C ATOM 448 CD1 TRP A 29 4.160 -2.854 1.975 1.00 0.00 C ATOM 449 CD2 TRP A 29 2.470 -1.842 0.909 1.00 0.00 C ATOM 450 NE1 TRP A 29 4.445 -2.863 0.631 1.00 0.00 N ATOM 451 CE2 TRP A 29 3.423 -2.249 -0.045 1.00 0.00 C ATOM 452 CE3 TRP A 29 1.317 -1.185 0.471 1.00 0.00 C ATOM 453 CZ2 TRP A 29 3.258 -2.017 -1.407 1.00 0.00 C ATOM 454 CZ3 TRP A 29 1.155 -0.955 -0.882 1.00 0.00 C ATOM 455 CH2 TRP A 29 2.120 -1.371 -1.808 1.00 0.00 C ATOM 0 H TRP A 29 3.372 -3.607 5.072 1.00 0.00 H new ATOM 0 HA TRP A 29 4.075 -1.015 4.160 1.00 0.00 H new ATOM 0 HB2 TRP A 29 1.809 -2.949 3.829 1.00 0.00 H new ATOM 0 HB3 TRP A 29 1.502 -1.278 3.399 1.00 0.00 H new ATOM 0 HD1 TRP A 29 4.792 -3.271 2.745 1.00 0.00 H new ATOM 0 HE1 TRP A 29 5.282 -3.262 0.205 1.00 0.00 H new ATOM 0 HE3 TRP A 29 0.566 -0.863 1.177 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 4.002 -2.335 -2.122 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 0.269 -0.446 -1.231 1.00 0.00 H new ATOM 0 HH2 TRP A 29 1.963 -1.178 -2.859 1.00 0.00 H new ATOM 466 N ARG A 30 3.022 0.598 5.693 1.00 0.00 N ATOM 467 CA ARG A 30 2.424 1.584 6.584 1.00 0.00 C ATOM 468 C ARG A 30 1.939 2.801 5.801 1.00 0.00 C ATOM 469 O ARG A 30 2.687 3.388 5.018 1.00 0.00 O ATOM 470 CB ARG A 30 3.433 2.019 7.649 1.00 0.00 C ATOM 471 CG ARG A 30 4.043 0.859 8.419 1.00 0.00 C ATOM 472 CD ARG A 30 5.332 1.269 9.114 1.00 0.00 C ATOM 473 NE ARG A 30 5.079 2.071 10.308 1.00 0.00 N ATOM 474 CZ ARG A 30 5.003 3.397 10.300 1.00 0.00 C ATOM 475 NH1 ARG A 30 5.158 4.066 9.166 1.00 0.00 N ATOM 476 NH2 ARG A 30 4.770 4.057 11.427 1.00 0.00 N ATOM 0 H ARG A 30 3.835 0.935 5.176 1.00 0.00 H new ATOM 0 HA ARG A 30 1.566 1.122 7.073 1.00 0.00 H new ATOM 0 HB2 ARG A 30 4.231 2.587 7.171 1.00 0.00 H new ATOM 0 HB3 ARG A 30 2.940 2.691 8.351 1.00 0.00 H new ATOM 0 HG2 ARG A 30 3.329 0.496 9.158 1.00 0.00 H new ATOM 0 HG3 ARG A 30 4.243 0.033 7.737 1.00 0.00 H new ATOM 0 HD2 ARG A 30 5.895 0.377 9.389 1.00 0.00 H new ATOM 0 HD3 ARG A 30 5.953 1.837 8.421 1.00 0.00 H new ATOM 0 HE ARG A 30 4.954 1.586 11.197 1.00 0.00 H new ATOM 0 HH11 ARG A 30 5.336 3.562 8.297 1.00 0.00 H new ATOM 0 HH12 ARG A 30 5.099 5.084 9.162 1.00 0.00 H new ATOM 0 HH21 ARG A 30 4.649 3.546 12.301 1.00 0.00 H new ATOM 0 HH22 ARG A 30 4.712 5.075 11.419 1.00 0.00 H new ATOM 490 N LEU A 31 0.682 3.174 6.017 1.00 0.00 N ATOM 491 CA LEU A 31 0.096 4.321 5.332 1.00 0.00 C ATOM 492 C LEU A 31 -0.376 5.371 6.332 1.00 0.00 C ATOM 493 O LEU A 31 -0.916 5.038 7.387 1.00 0.00 O ATOM 494 CB LEU A 31 -1.075 3.872 4.455 1.00 0.00 C ATOM 495 CG LEU A 31 -1.894 4.989 3.807 1.00 0.00 C ATOM 496 CD1 LEU A 31 -1.301 5.374 2.461 1.00 0.00 C ATOM 497 CD2 LEU A 31 -3.346 4.562 3.650 1.00 0.00 C ATOM 0 H LEU A 31 0.049 2.699 6.661 1.00 0.00 H new ATOM 0 HA LEU A 31 0.865 4.768 4.701 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.686 3.229 3.666 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.745 3.263 5.062 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.861 5.863 4.458 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.897 6.170 2.015 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.277 5.722 2.600 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.303 4.506 1.801 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.914 5.369 3.187 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.398 3.674 3.020 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.767 4.337 4.630 1.00 0.00 H new ATOM 509 N ASP A 32 -0.169 6.638 5.993 1.00 0.00 N ATOM 510 CA ASP A 32 -0.577 7.738 6.861 1.00 0.00 C ATOM 511 C ASP A 32 -1.279 8.830 6.060 1.00 0.00 C ATOM 512 O ASP A 32 -1.561 8.660 4.874 1.00 0.00 O ATOM 513 CB ASP A 32 0.638 8.320 7.586 1.00 0.00 C ATOM 514 CG ASP A 32 0.262 9.009 8.883 1.00 0.00 C ATOM 515 OD1 ASP A 32 -0.575 8.456 9.627 1.00 0.00 O ATOM 516 OD2 ASP A 32 0.804 10.101 9.154 1.00 0.00 O ATOM 0 H ASP A 32 0.279 6.930 5.124 1.00 0.00 H new ATOM 0 HA ASP A 32 -1.278 7.347 7.599 1.00 0.00 H new ATOM 0 HB2 ASP A 32 1.350 7.521 7.795 1.00 0.00 H new ATOM 0 HB3 ASP A 32 1.141 9.032 6.932 1.00 0.00 H new ATOM 521 N SER A 33 -1.559 9.951 6.717 1.00 0.00 N ATOM 522 CA SER A 33 -2.232 11.070 6.068 1.00 0.00 C ATOM 523 C SER A 33 -1.248 11.889 5.239 1.00 0.00 C ATOM 524 O SER A 33 -1.614 12.903 4.643 1.00 0.00 O ATOM 525 CB SER A 33 -2.905 11.963 7.112 1.00 0.00 C ATOM 526 OG SER A 33 -3.292 13.204 6.548 1.00 0.00 O ATOM 0 H SER A 33 -1.330 10.108 7.698 1.00 0.00 H new ATOM 0 HA SER A 33 -2.994 10.666 5.401 1.00 0.00 H new ATOM 0 HB2 SER A 33 -3.780 11.456 7.519 1.00 0.00 H new ATOM 0 HB3 SER A 33 -2.221 12.135 7.943 1.00 0.00 H new ATOM 0 HG SER A 33 -3.042 13.225 5.601 1.00 0.00 H new ATOM 532 N LYS A 34 0.003 11.443 5.206 1.00 0.00 N ATOM 533 CA LYS A 34 1.042 12.133 4.450 1.00 0.00 C ATOM 534 C LYS A 34 1.458 11.318 3.229 1.00 0.00 C ATOM 535 O LYS A 34 1.138 11.675 2.095 1.00 0.00 O ATOM 536 CB LYS A 34 2.259 12.396 5.339 1.00 0.00 C ATOM 537 CG LYS A 34 3.390 13.115 4.625 1.00 0.00 C ATOM 538 CD LYS A 34 3.205 14.622 4.662 1.00 0.00 C ATOM 539 CE LYS A 34 4.308 15.338 3.897 1.00 0.00 C ATOM 540 NZ LYS A 34 3.859 16.664 3.387 1.00 0.00 N ATOM 0 H LYS A 34 0.322 10.606 5.694 1.00 0.00 H new ATOM 0 HA LYS A 34 0.636 13.085 4.109 1.00 0.00 H new ATOM 0 HB2 LYS A 34 1.949 12.989 6.199 1.00 0.00 H new ATOM 0 HB3 LYS A 34 2.629 11.446 5.724 1.00 0.00 H new ATOM 0 HG2 LYS A 34 4.340 12.853 5.091 1.00 0.00 H new ATOM 0 HG3 LYS A 34 3.439 12.779 3.589 1.00 0.00 H new ATOM 0 HD2 LYS A 34 2.237 14.881 4.234 1.00 0.00 H new ATOM 0 HD3 LYS A 34 3.198 14.963 5.697 1.00 0.00 H new ATOM 0 HE2 LYS A 34 5.172 15.473 4.547 1.00 0.00 H new ATOM 0 HE3 LYS A 34 4.632 14.718 3.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 4.639 17.120 2.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 3.050 16.534 2.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 3.574 17.265 4.186 1.00 0.00 H new ATOM 554 N CYS A 35 2.170 10.223 3.469 1.00 0.00 N ATOM 555 CA CYS A 35 2.629 9.357 2.389 1.00 0.00 C ATOM 556 C CYS A 35 2.809 7.924 2.880 1.00 0.00 C ATOM 557 O CYS A 35 2.897 7.675 4.083 1.00 0.00 O ATOM 558 CB CYS A 35 3.945 9.881 1.812 1.00 0.00 C ATOM 559 SG CYS A 35 5.290 9.981 3.016 1.00 0.00 S ATOM 0 H CYS A 35 2.442 9.914 4.402 1.00 0.00 H new ATOM 0 HA CYS A 35 1.871 9.360 1.606 1.00 0.00 H new ATOM 0 HB2 CYS A 35 4.253 9.233 0.992 1.00 0.00 H new ATOM 0 HB3 CYS A 35 3.775 10.871 1.389 1.00 0.00 H new ATOM 0 HG CYS A 35 6.361 10.432 2.434 1.00 0.00 H new ATOM 565 N LEU A 36 2.861 6.985 1.941 1.00 0.00 N ATOM 566 CA LEU A 36 3.029 5.576 2.278 1.00 0.00 C ATOM 567 C LEU A 36 4.504 5.231 2.457 1.00 0.00 C ATOM 568 O LEU A 36 5.374 5.823 1.817 1.00 0.00 O ATOM 569 CB LEU A 36 2.416 4.695 1.188 1.00 0.00 C ATOM 570 CG LEU A 36 2.474 3.186 1.433 1.00 0.00 C ATOM 571 CD1 LEU A 36 1.233 2.718 2.178 1.00 0.00 C ATOM 572 CD2 LEU A 36 2.622 2.438 0.117 1.00 0.00 C ATOM 0 H LEU A 36 2.789 7.174 0.941 1.00 0.00 H new ATOM 0 HA LEU A 36 2.514 5.389 3.221 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.372 4.982 1.061 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.923 4.910 0.247 1.00 0.00 H new ATOM 0 HG LEU A 36 3.346 2.971 2.051 1.00 0.00 H new ATOM 0 HD11 LEU A 36 1.292 1.642 2.343 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.170 3.230 3.138 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.346 2.946 1.587 1.00 0.00 H new ATOM 0 HD21 LEU A 36 2.662 1.366 0.310 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.770 2.660 -0.525 1.00 0.00 H new ATOM 0 HD23 LEU A 36 3.541 2.752 -0.378 1.00 0.00 H new ATOM 584 N THR A 37 4.779 4.266 3.329 1.00 0.00 N ATOM 585 CA THR A 37 6.148 3.841 3.592 1.00 0.00 C ATOM 586 C THR A 37 6.216 2.342 3.860 1.00 0.00 C ATOM 587 O THR A 37 5.286 1.757 4.417 1.00 0.00 O ATOM 588 CB THR A 37 6.750 4.594 4.793 1.00 0.00 C ATOM 589 OG1 THR A 37 6.517 6.000 4.657 1.00 0.00 O ATOM 590 CG2 THR A 37 8.244 4.330 4.904 1.00 0.00 C ATOM 0 H THR A 37 4.071 3.764 3.865 1.00 0.00 H new ATOM 0 HA THR A 37 6.728 4.075 2.699 1.00 0.00 H new ATOM 0 HB THR A 37 6.265 4.233 5.700 1.00 0.00 H new ATOM 0 HG1 THR A 37 6.902 6.471 5.425 1.00 0.00 H new ATOM 0 HG21 THR A 37 8.647 4.872 5.759 1.00 0.00 H new ATOM 0 HG22 THR A 37 8.416 3.262 5.038 1.00 0.00 H new ATOM 0 HG23 THR A 37 8.741 4.666 3.994 1.00 0.00 H new ATOM 598 N LEU A 38 7.323 1.724 3.462 1.00 0.00 N ATOM 599 CA LEU A 38 7.513 0.291 3.660 1.00 0.00 C ATOM 600 C LEU A 38 8.630 0.024 4.664 1.00 0.00 C ATOM 601 O LEU A 38 9.782 0.393 4.439 1.00 0.00 O ATOM 602 CB LEU A 38 7.835 -0.390 2.329 1.00 0.00 C ATOM 603 CG LEU A 38 6.693 -0.455 1.315 1.00 0.00 C ATOM 604 CD1 LEU A 38 6.451 0.913 0.694 1.00 0.00 C ATOM 605 CD2 LEU A 38 6.994 -1.486 0.237 1.00 0.00 C ATOM 0 H LEU A 38 8.102 2.193 3.000 1.00 0.00 H new ATOM 0 HA LEU A 38 6.586 -0.122 4.057 1.00 0.00 H new ATOM 0 HB2 LEU A 38 8.673 0.134 1.869 1.00 0.00 H new ATOM 0 HB3 LEU A 38 8.169 -1.407 2.535 1.00 0.00 H new ATOM 0 HG LEU A 38 5.786 -0.760 1.838 1.00 0.00 H new ATOM 0 HD11 LEU A 38 5.635 0.847 -0.025 1.00 0.00 H new ATOM 0 HD12 LEU A 38 6.189 1.626 1.476 1.00 0.00 H new ATOM 0 HD13 LEU A 38 7.356 1.247 0.186 1.00 0.00 H new ATOM 0 HD21 LEU A 38 6.170 -1.518 -0.476 1.00 0.00 H new ATOM 0 HD22 LEU A 38 7.912 -1.212 -0.282 1.00 0.00 H new ATOM 0 HD23 LEU A 38 7.115 -2.467 0.696 1.00 0.00 H new ATOM 617 N PHE A 39 8.280 -0.621 5.772 1.00 0.00 N ATOM 618 CA PHE A 39 9.253 -0.940 6.811 1.00 0.00 C ATOM 619 C PHE A 39 9.647 -2.413 6.754 1.00 0.00 C ATOM 620 O PHE A 39 8.864 -3.289 7.119 1.00 0.00 O ATOM 621 CB PHE A 39 8.684 -0.605 8.192 1.00 0.00 C ATOM 622 CG PHE A 39 8.864 0.835 8.581 1.00 0.00 C ATOM 623 CD1 PHE A 39 8.233 1.842 7.869 1.00 0.00 C ATOM 624 CD2 PHE A 39 9.663 1.180 9.659 1.00 0.00 C ATOM 625 CE1 PHE A 39 8.396 3.168 8.224 1.00 0.00 C ATOM 626 CE2 PHE A 39 9.829 2.504 10.019 1.00 0.00 C ATOM 627 CZ PHE A 39 9.195 3.499 9.301 1.00 0.00 C ATOM 0 H PHE A 39 7.330 -0.933 5.974 1.00 0.00 H new ATOM 0 HA PHE A 39 10.144 -0.337 6.637 1.00 0.00 H new ATOM 0 HB2 PHE A 39 7.621 -0.847 8.207 1.00 0.00 H new ATOM 0 HB3 PHE A 39 9.165 -1.238 8.938 1.00 0.00 H new ATOM 0 HD1 PHE A 39 7.606 1.588 7.027 1.00 0.00 H new ATOM 0 HD2 PHE A 39 10.161 0.406 10.224 1.00 0.00 H new ATOM 0 HE1 PHE A 39 7.899 3.944 7.660 1.00 0.00 H new ATOM 0 HE2 PHE A 39 10.454 2.760 10.861 1.00 0.00 H new ATOM 0 HZ PHE A 39 9.324 4.534 9.581 1.00 0.00 H new ATOM 637 N GLN A 40 10.866 -2.675 6.293 1.00 0.00 N ATOM 638 CA GLN A 40 11.363 -4.042 6.187 1.00 0.00 C ATOM 639 C GLN A 40 10.941 -4.870 7.396 1.00 0.00 C ATOM 640 O GLN A 40 10.556 -6.031 7.261 1.00 0.00 O ATOM 641 CB GLN A 40 12.888 -4.044 6.060 1.00 0.00 C ATOM 642 CG GLN A 40 13.599 -3.453 7.267 1.00 0.00 C ATOM 643 CD GLN A 40 13.342 -1.967 7.426 1.00 0.00 C ATOM 644 OE1 GLN A 40 12.587 -1.547 8.303 1.00 0.00 O ATOM 645 NE2 GLN A 40 13.971 -1.163 6.577 1.00 0.00 N ATOM 0 H GLN A 40 11.526 -1.960 5.988 1.00 0.00 H new ATOM 0 HA GLN A 40 10.930 -4.491 5.293 1.00 0.00 H new ATOM 0 HB2 GLN A 40 13.231 -5.068 5.912 1.00 0.00 H new ATOM 0 HB3 GLN A 40 13.171 -3.481 5.170 1.00 0.00 H new ATOM 0 HG2 GLN A 40 13.272 -3.973 8.167 1.00 0.00 H new ATOM 0 HG3 GLN A 40 14.671 -3.624 7.172 1.00 0.00 H new ATOM 0 HE21 GLN A 40 14.588 -1.555 5.865 1.00 0.00 H new ATOM 0 HE22 GLN A 40 13.837 -0.154 6.636 1.00 0.00 H new ATOM 654 N ASN A 41 11.016 -4.266 8.577 1.00 0.00 N ATOM 655 CA ASN A 41 10.643 -4.948 9.811 1.00 0.00 C ATOM 656 C ASN A 41 9.597 -4.147 10.580 1.00 0.00 C ATOM 657 O ASN A 41 9.369 -2.972 10.296 1.00 0.00 O ATOM 658 CB ASN A 41 11.876 -5.173 10.687 1.00 0.00 C ATOM 659 CG ASN A 41 12.858 -4.021 10.610 1.00 0.00 C ATOM 660 OD1 ASN A 41 12.465 -2.854 10.625 1.00 0.00 O ATOM 661 ND2 ASN A 41 14.144 -4.343 10.528 1.00 0.00 N ATOM 0 H ASN A 41 11.332 -3.305 8.706 1.00 0.00 H new ATOM 0 HA ASN A 41 10.213 -5.914 9.547 1.00 0.00 H new ATOM 0 HB2 ASN A 41 11.563 -5.311 11.722 1.00 0.00 H new ATOM 0 HB3 ASN A 41 12.374 -6.092 10.379 1.00 0.00 H new ATOM 0 HD21 ASN A 41 14.851 -3.610 10.474 1.00 0.00 H new ATOM 0 HD22 ASN A 41 14.425 -5.324 10.519 1.00 0.00 H new ATOM 755 N TYR A 48 12.386 0.683 3.770 1.00 0.00 N ATOM 756 CA TYR A 48 12.688 0.228 2.418 1.00 0.00 C ATOM 757 C TYR A 48 12.625 1.387 1.427 1.00 0.00 C ATOM 758 O TYR A 48 13.587 1.659 0.709 1.00 0.00 O ATOM 759 CB TYR A 48 11.711 -0.871 1.997 1.00 0.00 C ATOM 760 CG TYR A 48 11.925 -1.363 0.584 1.00 0.00 C ATOM 761 CD1 TYR A 48 13.187 -1.745 0.144 1.00 0.00 C ATOM 762 CD2 TYR A 48 10.867 -1.446 -0.312 1.00 0.00 C ATOM 763 CE1 TYR A 48 13.388 -2.195 -1.147 1.00 0.00 C ATOM 764 CE2 TYR A 48 11.058 -1.896 -1.604 1.00 0.00 C ATOM 765 CZ TYR A 48 12.320 -2.269 -2.017 1.00 0.00 C ATOM 766 OH TYR A 48 12.515 -2.716 -3.304 1.00 0.00 O ATOM 0 HA TYR A 48 13.701 -0.175 2.415 1.00 0.00 H new ATOM 0 HB2 TYR A 48 11.806 -1.712 2.684 1.00 0.00 H new ATOM 0 HB3 TYR A 48 10.692 -0.495 2.092 1.00 0.00 H new ATOM 0 HD1 TYR A 48 14.025 -1.689 0.823 1.00 0.00 H new ATOM 0 HD2 TYR A 48 9.878 -1.154 0.007 1.00 0.00 H new ATOM 0 HE1 TYR A 48 14.375 -2.487 -1.473 1.00 0.00 H new ATOM 0 HE2 TYR A 48 10.224 -1.955 -2.287 1.00 0.00 H new ATOM 0 HH TYR A 48 11.662 -2.708 -3.786 1.00 0.00 H new ATOM 776 N LYS A 49 11.484 2.066 1.394 1.00 0.00 N ATOM 777 CA LYS A 49 11.292 3.197 0.493 1.00 0.00 C ATOM 778 C LYS A 49 10.025 3.969 0.850 1.00 0.00 C ATOM 779 O LYS A 49 9.223 3.517 1.666 1.00 0.00 O ATOM 780 CB LYS A 49 11.216 2.714 -0.957 1.00 0.00 C ATOM 781 CG LYS A 49 11.724 3.731 -1.964 1.00 0.00 C ATOM 782 CD LYS A 49 11.983 3.093 -3.319 1.00 0.00 C ATOM 783 CE LYS A 49 12.359 4.133 -4.362 1.00 0.00 C ATOM 784 NZ LYS A 49 11.159 4.803 -4.935 1.00 0.00 N ATOM 0 H LYS A 49 10.677 1.853 1.981 1.00 0.00 H new ATOM 0 HA LYS A 49 12.146 3.865 0.603 1.00 0.00 H new ATOM 0 HB2 LYS A 49 11.795 1.796 -1.056 1.00 0.00 H new ATOM 0 HB3 LYS A 49 10.182 2.465 -1.195 1.00 0.00 H new ATOM 0 HG2 LYS A 49 10.994 4.533 -2.072 1.00 0.00 H new ATOM 0 HG3 LYS A 49 12.643 4.184 -1.593 1.00 0.00 H new ATOM 0 HD2 LYS A 49 12.784 2.360 -3.230 1.00 0.00 H new ATOM 0 HD3 LYS A 49 11.093 2.555 -3.645 1.00 0.00 H new ATOM 0 HE2 LYS A 49 13.011 4.880 -3.911 1.00 0.00 H new ATOM 0 HE3 LYS A 49 12.926 3.657 -5.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 11.458 5.505 -5.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 10.548 4.093 -5.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 10.632 5.279 -4.176 1.00 0.00 H new ATOM 798 N GLU A 50 9.853 5.133 0.233 1.00 0.00 N ATOM 799 CA GLU A 50 8.683 5.966 0.486 1.00 0.00 C ATOM 800 C GLU A 50 7.896 6.204 -0.800 1.00 0.00 C ATOM 801 O GLU A 50 8.476 6.424 -1.863 1.00 0.00 O ATOM 802 CB GLU A 50 9.104 7.305 1.094 1.00 0.00 C ATOM 803 CG GLU A 50 7.945 8.258 1.330 1.00 0.00 C ATOM 804 CD GLU A 50 7.673 9.153 0.137 1.00 0.00 C ATOM 805 OE1 GLU A 50 8.625 9.437 -0.620 1.00 0.00 O ATOM 806 OE2 GLU A 50 6.509 9.570 -0.040 1.00 0.00 O ATOM 0 H GLU A 50 10.508 5.521 -0.445 1.00 0.00 H new ATOM 0 HA GLU A 50 8.041 5.440 1.193 1.00 0.00 H new ATOM 0 HB2 GLU A 50 9.611 7.121 2.041 1.00 0.00 H new ATOM 0 HB3 GLU A 50 9.827 7.783 0.433 1.00 0.00 H new ATOM 0 HG2 GLU A 50 7.048 7.683 1.560 1.00 0.00 H new ATOM 0 HG3 GLU A 50 8.160 8.876 2.202 1.00 0.00 H new ATOM 813 N ILE A 51 6.572 6.157 -0.693 1.00 0.00 N ATOM 814 CA ILE A 51 5.706 6.368 -1.846 1.00 0.00 C ATOM 815 C ILE A 51 4.686 7.468 -1.573 1.00 0.00 C ATOM 816 O ILE A 51 3.643 7.244 -0.958 1.00 0.00 O ATOM 817 CB ILE A 51 4.960 5.077 -2.234 1.00 0.00 C ATOM 818 CG1 ILE A 51 5.958 3.975 -2.595 1.00 0.00 C ATOM 819 CG2 ILE A 51 4.012 5.341 -3.394 1.00 0.00 C ATOM 820 CD1 ILE A 51 5.370 2.582 -2.529 1.00 0.00 C ATOM 0 H ILE A 51 6.076 5.975 0.180 1.00 0.00 H new ATOM 0 HA ILE A 51 6.349 6.669 -2.673 1.00 0.00 H new ATOM 0 HB ILE A 51 4.372 4.744 -1.379 1.00 0.00 H new ATOM 0 HG12 ILE A 51 6.336 4.154 -3.602 1.00 0.00 H new ATOM 0 HG13 ILE A 51 6.811 4.033 -1.919 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.492 4.419 -3.656 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.284 6.098 -3.104 1.00 0.00 H new ATOM 0 HG23 ILE A 51 4.580 5.695 -4.255 1.00 0.00 H new ATOM 0 HD11 ILE A 51 6.133 1.852 -2.797 1.00 0.00 H new ATOM 0 HD12 ILE A 51 5.017 2.383 -1.517 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.535 2.506 -3.225 1.00 0.00 H new ATOM 832 N PRO A 52 4.991 8.687 -2.043 1.00 0.00 N ATOM 833 CA PRO A 52 4.112 9.847 -1.864 1.00 0.00 C ATOM 834 C PRO A 52 2.835 9.740 -2.691 1.00 0.00 C ATOM 835 O PRO A 52 2.884 9.505 -3.899 1.00 0.00 O ATOM 836 CB PRO A 52 4.968 11.019 -2.351 1.00 0.00 C ATOM 837 CG PRO A 52 5.936 10.410 -3.305 1.00 0.00 C ATOM 838 CD PRO A 52 6.216 9.027 -2.785 1.00 0.00 C ATOM 0 HA PRO A 52 3.775 9.947 -0.832 1.00 0.00 H new ATOM 0 HB2 PRO A 52 4.358 11.780 -2.838 1.00 0.00 H new ATOM 0 HB3 PRO A 52 5.482 11.505 -1.522 1.00 0.00 H new ATOM 0 HG2 PRO A 52 5.520 10.371 -4.312 1.00 0.00 H new ATOM 0 HG3 PRO A 52 6.852 10.999 -3.361 1.00 0.00 H new ATOM 0 HD2 PRO A 52 6.403 8.323 -3.596 1.00 0.00 H new ATOM 0 HD3 PRO A 52 7.094 9.011 -2.140 1.00 0.00 H new ATOM 846 N LEU A 53 1.694 9.914 -2.034 1.00 0.00 N ATOM 847 CA LEU A 53 0.403 9.838 -2.709 1.00 0.00 C ATOM 848 C LEU A 53 0.492 10.410 -4.120 1.00 0.00 C ATOM 849 O LEU A 53 -0.118 9.887 -5.052 1.00 0.00 O ATOM 850 CB LEU A 53 -0.659 10.591 -1.906 1.00 0.00 C ATOM 851 CG LEU A 53 -1.054 9.969 -0.566 1.00 0.00 C ATOM 852 CD1 LEU A 53 -1.839 10.965 0.274 1.00 0.00 C ATOM 853 CD2 LEU A 53 -1.863 8.699 -0.785 1.00 0.00 C ATOM 0 H LEU A 53 1.636 10.109 -1.034 1.00 0.00 H new ATOM 0 HA LEU A 53 0.119 8.788 -2.780 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.297 11.602 -1.722 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.555 10.680 -2.520 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.144 9.707 -0.026 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -2.112 10.505 1.224 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.226 11.847 0.461 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.743 11.258 -0.260 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.135 8.270 0.179 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.768 8.936 -1.345 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.266 7.980 -1.346 1.00 0.00 H new ATOM 865 N SER A 54 1.257 11.487 -4.269 1.00 0.00 N ATOM 866 CA SER A 54 1.425 12.132 -5.566 1.00 0.00 C ATOM 867 C SER A 54 1.901 11.129 -6.613 1.00 0.00 C ATOM 868 O SER A 54 1.320 11.021 -7.693 1.00 0.00 O ATOM 869 CB SER A 54 2.421 13.287 -5.460 1.00 0.00 C ATOM 870 OG SER A 54 2.059 14.179 -4.419 1.00 0.00 O ATOM 0 H SER A 54 1.770 11.931 -3.508 1.00 0.00 H new ATOM 0 HA SER A 54 0.457 12.525 -5.877 1.00 0.00 H new ATOM 0 HB2 SER A 54 3.421 12.894 -5.275 1.00 0.00 H new ATOM 0 HB3 SER A 54 2.461 13.825 -6.407 1.00 0.00 H new ATOM 0 HG SER A 54 2.712 14.908 -4.371 1.00 0.00 H new ATOM 876 N GLU A 55 2.962 10.399 -6.285 1.00 0.00 N ATOM 877 CA GLU A 55 3.517 9.407 -7.198 1.00 0.00 C ATOM 878 C GLU A 55 2.406 8.610 -7.876 1.00 0.00 C ATOM 879 O GLU A 55 2.328 8.556 -9.104 1.00 0.00 O ATOM 880 CB GLU A 55 4.454 8.458 -6.447 1.00 0.00 C ATOM 881 CG GLU A 55 5.567 7.890 -7.312 1.00 0.00 C ATOM 882 CD GLU A 55 6.807 8.762 -7.312 1.00 0.00 C ATOM 883 OE1 GLU A 55 6.735 9.897 -7.829 1.00 0.00 O ATOM 884 OE2 GLU A 55 7.851 8.311 -6.795 1.00 0.00 O ATOM 0 H GLU A 55 3.454 10.476 -5.395 1.00 0.00 H new ATOM 0 HA GLU A 55 4.084 9.934 -7.966 1.00 0.00 H new ATOM 0 HB2 GLU A 55 4.896 8.989 -5.604 1.00 0.00 H new ATOM 0 HB3 GLU A 55 3.870 7.635 -6.035 1.00 0.00 H new ATOM 0 HG2 GLU A 55 5.828 6.894 -6.955 1.00 0.00 H new ATOM 0 HG3 GLU A 55 5.206 7.777 -8.334 1.00 0.00 H new ATOM 891 N ILE A 56 1.550 7.993 -7.069 1.00 0.00 N ATOM 892 CA ILE A 56 0.444 7.200 -7.590 1.00 0.00 C ATOM 893 C ILE A 56 -0.401 8.012 -8.566 1.00 0.00 C ATOM 894 O ILE A 56 -0.893 9.090 -8.231 1.00 0.00 O ATOM 895 CB ILE A 56 -0.459 6.679 -6.457 1.00 0.00 C ATOM 896 CG1 ILE A 56 0.336 5.766 -5.521 1.00 0.00 C ATOM 897 CG2 ILE A 56 -1.659 5.943 -7.032 1.00 0.00 C ATOM 898 CD1 ILE A 56 1.005 6.502 -4.382 1.00 0.00 C ATOM 0 H ILE A 56 1.601 8.027 -6.051 1.00 0.00 H new ATOM 0 HA ILE A 56 0.883 6.350 -8.112 1.00 0.00 H new ATOM 0 HB ILE A 56 -0.822 7.530 -5.881 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.333 5.009 -5.111 1.00 0.00 H new ATOM 0 HG13 ILE A 56 1.096 5.240 -6.099 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -2.288 5.581 -6.219 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -2.235 6.622 -7.661 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -1.316 5.098 -7.629 1.00 0.00 H new ATOM 0 HD11 ILE A 56 1.550 5.792 -3.760 1.00 0.00 H new ATOM 0 HD12 ILE A 56 1.699 7.240 -4.784 1.00 0.00 H new ATOM 0 HD13 ILE A 56 0.249 7.006 -3.780 1.00 0.00 H new ATOM 910 N LEU A 57 -0.568 7.485 -9.775 1.00 0.00 N ATOM 911 CA LEU A 57 -1.357 8.159 -10.800 1.00 0.00 C ATOM 912 C LEU A 57 -2.783 7.620 -10.833 1.00 0.00 C ATOM 913 O LEU A 57 -3.747 8.383 -10.767 1.00 0.00 O ATOM 914 CB LEU A 57 -0.702 7.985 -12.172 1.00 0.00 C ATOM 915 CG LEU A 57 0.681 8.617 -12.341 1.00 0.00 C ATOM 916 CD1 LEU A 57 1.388 8.037 -13.556 1.00 0.00 C ATOM 917 CD2 LEU A 57 0.564 10.129 -12.461 1.00 0.00 C ATOM 0 H LEU A 57 -0.168 6.594 -10.069 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.396 9.220 -10.554 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.620 6.918 -12.380 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.367 8.407 -12.926 1.00 0.00 H new ATOM 0 HG LEU A 57 1.276 8.387 -11.457 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.370 8.498 -13.660 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.504 6.961 -13.430 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.797 8.236 -14.450 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.557 10.562 -12.581 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.048 10.379 -13.328 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.099 10.531 -11.561 1.00 0.00 H new ATOM 929 N ARG A 58 -2.909 6.301 -10.933 1.00 0.00 N ATOM 930 CA ARG A 58 -4.218 5.659 -10.973 1.00 0.00 C ATOM 931 C ARG A 58 -4.078 4.140 -10.962 1.00 0.00 C ATOM 932 O ARG A 58 -2.971 3.607 -11.040 1.00 0.00 O ATOM 933 CB ARG A 58 -4.989 6.103 -12.218 1.00 0.00 C ATOM 934 CG ARG A 58 -6.497 6.116 -12.027 1.00 0.00 C ATOM 935 CD ARG A 58 -7.177 7.031 -13.033 1.00 0.00 C ATOM 936 NE ARG A 58 -8.616 7.124 -12.802 1.00 0.00 N ATOM 937 CZ ARG A 58 -9.377 8.098 -13.289 1.00 0.00 C ATOM 938 NH1 ARG A 58 -8.839 9.057 -14.030 1.00 0.00 N ATOM 939 NH2 ARG A 58 -10.679 8.114 -13.035 1.00 0.00 N ATOM 0 H ARG A 58 -2.121 5.656 -10.988 1.00 0.00 H new ATOM 0 HA ARG A 58 -4.772 5.962 -10.084 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -4.659 7.102 -12.503 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -4.742 5.437 -13.045 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -6.887 5.104 -12.132 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -6.734 6.445 -11.015 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -6.735 8.026 -12.975 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -6.995 6.660 -14.042 1.00 0.00 H new ATOM 0 HE ARG A 58 -9.061 6.402 -12.236 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -7.838 9.048 -14.227 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -9.426 9.803 -14.403 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -11.097 7.378 -12.465 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -11.262 8.862 -13.409 1.00 0.00 H new ATOM 953 N ILE A 59 -5.209 3.448 -10.865 1.00 0.00 N ATOM 954 CA ILE A 59 -5.213 1.991 -10.845 1.00 0.00 C ATOM 955 C ILE A 59 -5.563 1.423 -12.216 1.00 0.00 C ATOM 956 O ILE A 59 -6.313 2.032 -12.979 1.00 0.00 O ATOM 957 CB ILE A 59 -6.210 1.445 -9.806 1.00 0.00 C ATOM 958 CG1 ILE A 59 -5.920 2.042 -8.427 1.00 0.00 C ATOM 959 CG2 ILE A 59 -6.144 -0.075 -9.756 1.00 0.00 C ATOM 960 CD1 ILE A 59 -4.596 1.601 -7.844 1.00 0.00 C ATOM 0 H ILE A 59 -6.134 3.873 -10.799 1.00 0.00 H new ATOM 0 HA ILE A 59 -4.206 1.677 -10.571 1.00 0.00 H new ATOM 0 HB ILE A 59 -7.218 1.736 -10.103 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -5.931 3.129 -8.501 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -6.721 1.761 -7.743 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -6.854 -0.446 -9.017 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -6.394 -0.482 -10.736 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -5.137 -0.387 -9.479 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -4.457 2.063 -6.866 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -4.589 0.516 -7.737 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -3.787 1.906 -8.508 1.00 0.00 H new ATOM 972 N SER A 60 -5.016 0.251 -12.523 1.00 0.00 N ATOM 973 CA SER A 60 -5.269 -0.399 -13.803 1.00 0.00 C ATOM 974 C SER A 60 -5.790 -1.819 -13.598 1.00 0.00 C ATOM 975 O SER A 60 -5.127 -2.652 -12.982 1.00 0.00 O ATOM 976 CB SER A 60 -3.991 -0.430 -14.645 1.00 0.00 C ATOM 977 OG SER A 60 -4.222 -1.045 -15.900 1.00 0.00 O ATOM 0 H SER A 60 -4.395 -0.268 -11.902 1.00 0.00 H new ATOM 0 HA SER A 60 -6.030 0.177 -14.330 1.00 0.00 H new ATOM 0 HB2 SER A 60 -3.627 0.586 -14.796 1.00 0.00 H new ATOM 0 HB3 SER A 60 -3.212 -0.972 -14.109 1.00 0.00 H new ATOM 0 HG SER A 60 -3.391 -1.051 -16.419 1.00 0.00 H new ATOM 1185 N HIS A 75 -3.826 -10.740 -9.081 1.00 0.00 N ATOM 1186 CA HIS A 75 -3.646 -9.489 -8.354 1.00 0.00 C ATOM 1187 C HIS A 75 -4.981 -8.774 -8.164 1.00 0.00 C ATOM 1188 O HIS A 75 -5.948 -9.045 -8.878 1.00 0.00 O ATOM 1189 CB HIS A 75 -2.668 -8.578 -9.097 1.00 0.00 C ATOM 1190 CG HIS A 75 -3.298 -7.813 -10.220 1.00 0.00 C ATOM 1191 ND1 HIS A 75 -3.841 -8.419 -11.333 1.00 0.00 N ATOM 1192 CD2 HIS A 75 -3.470 -6.482 -10.397 1.00 0.00 C ATOM 1193 CE1 HIS A 75 -4.319 -7.495 -12.146 1.00 0.00 C ATOM 1194 NE2 HIS A 75 -4.107 -6.310 -11.601 1.00 0.00 N ATOM 0 HA HIS A 75 -3.236 -9.725 -7.372 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -2.231 -7.874 -8.389 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -1.851 -9.181 -9.493 1.00 0.00 H new ATOM 0 HD1 HIS A 75 -3.869 -9.425 -11.502 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -3.163 -5.701 -9.717 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -4.801 -7.677 -13.095 1.00 0.00 H new ATOM 1203 N CYS A 76 -5.026 -7.863 -7.199 1.00 0.00 N ATOM 1204 CA CYS A 76 -6.243 -7.110 -6.915 1.00 0.00 C ATOM 1205 C CYS A 76 -6.228 -5.762 -7.628 1.00 0.00 C ATOM 1206 O CYS A 76 -7.172 -5.412 -8.337 1.00 0.00 O ATOM 1207 CB CYS A 76 -6.398 -6.902 -5.408 1.00 0.00 C ATOM 1208 SG CYS A 76 -7.904 -6.018 -4.936 1.00 0.00 S ATOM 0 H CYS A 76 -4.235 -7.628 -6.600 1.00 0.00 H new ATOM 0 HA CYS A 76 -7.092 -7.686 -7.284 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -6.391 -7.874 -4.915 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -5.534 -6.350 -5.037 1.00 0.00 H new ATOM 0 HG CYS A 76 -7.907 -4.841 -5.488 1.00 0.00 H new ATOM 1214 N PHE A 77 -5.151 -5.008 -7.434 1.00 0.00 N ATOM 1215 CA PHE A 77 -5.014 -3.697 -8.057 1.00 0.00 C ATOM 1216 C PHE A 77 -3.562 -3.425 -8.439 1.00 0.00 C ATOM 1217 O PHE A 77 -2.643 -4.045 -7.905 1.00 0.00 O ATOM 1218 CB PHE A 77 -5.516 -2.604 -7.111 1.00 0.00 C ATOM 1219 CG PHE A 77 -4.679 -2.451 -5.873 1.00 0.00 C ATOM 1220 CD1 PHE A 77 -4.873 -3.284 -4.783 1.00 0.00 C ATOM 1221 CD2 PHE A 77 -3.699 -1.475 -5.801 1.00 0.00 C ATOM 1222 CE1 PHE A 77 -4.104 -3.146 -3.642 1.00 0.00 C ATOM 1223 CE2 PHE A 77 -2.927 -1.332 -4.663 1.00 0.00 C ATOM 1224 CZ PHE A 77 -3.130 -2.168 -3.583 1.00 0.00 C ATOM 0 H PHE A 77 -4.361 -5.282 -6.850 1.00 0.00 H new ATOM 0 HA PHE A 77 -5.618 -3.689 -8.964 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -5.537 -1.654 -7.645 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -6.542 -2.829 -6.820 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -5.633 -4.050 -4.825 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -3.536 -0.819 -6.643 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -4.264 -3.801 -2.799 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -2.166 -0.567 -4.619 1.00 0.00 H new ATOM 0 HZ PHE A 77 -2.528 -2.057 -2.693 1.00 0.00 H new ATOM 1234 N GLU A 78 -3.365 -2.496 -9.369 1.00 0.00 N ATOM 1235 CA GLU A 78 -2.025 -2.144 -9.824 1.00 0.00 C ATOM 1236 C GLU A 78 -1.767 -0.649 -9.652 1.00 0.00 C ATOM 1237 O GLU A 78 -2.502 0.183 -10.184 1.00 0.00 O ATOM 1238 CB GLU A 78 -1.840 -2.539 -11.290 1.00 0.00 C ATOM 1239 CG GLU A 78 -2.107 -4.010 -11.563 1.00 0.00 C ATOM 1240 CD GLU A 78 -2.084 -4.343 -13.042 1.00 0.00 C ATOM 1241 OE1 GLU A 78 -1.487 -3.565 -13.815 1.00 0.00 O ATOM 1242 OE2 GLU A 78 -2.664 -5.380 -13.426 1.00 0.00 O ATOM 0 H GLU A 78 -4.115 -1.974 -9.822 1.00 0.00 H new ATOM 0 HA GLU A 78 -1.307 -2.692 -9.214 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -2.507 -1.937 -11.907 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -0.821 -2.301 -11.596 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -1.360 -4.613 -11.047 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -3.078 -4.282 -11.148 1.00 0.00 H new ATOM 1249 N ILE A 79 -0.719 -0.318 -8.906 1.00 0.00 N ATOM 1250 CA ILE A 79 -0.364 1.075 -8.664 1.00 0.00 C ATOM 1251 C ILE A 79 0.469 1.637 -9.812 1.00 0.00 C ATOM 1252 O ILE A 79 1.663 1.356 -9.921 1.00 0.00 O ATOM 1253 CB ILE A 79 0.420 1.236 -7.349 1.00 0.00 C ATOM 1254 CG1 ILE A 79 -0.348 0.597 -6.190 1.00 0.00 C ATOM 1255 CG2 ILE A 79 0.686 2.708 -7.067 1.00 0.00 C ATOM 1256 CD1 ILE A 79 0.354 0.725 -4.856 1.00 0.00 C ATOM 0 H ILE A 79 -0.101 -0.995 -8.459 1.00 0.00 H new ATOM 0 HA ILE A 79 -1.299 1.631 -8.590 1.00 0.00 H new ATOM 0 HB ILE A 79 1.378 0.726 -7.450 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -1.333 1.059 -6.119 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -0.506 -0.459 -6.408 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.241 2.805 -6.134 1.00 0.00 H new ATOM 0 HG22 ILE A 79 1.270 3.135 -7.883 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -0.262 3.239 -6.982 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -0.248 0.250 -4.081 1.00 0.00 H new ATOM 0 HD12 ILE A 79 1.328 0.238 -4.909 1.00 0.00 H new ATOM 0 HD13 ILE A 79 0.488 1.780 -4.615 1.00 0.00 H new ATOM 1268 N ILE A 80 -0.168 2.433 -10.663 1.00 0.00 N ATOM 1269 CA ILE A 80 0.514 3.037 -11.801 1.00 0.00 C ATOM 1270 C ILE A 80 1.190 4.346 -11.405 1.00 0.00 C ATOM 1271 O ILE A 80 0.535 5.380 -11.272 1.00 0.00 O ATOM 1272 CB ILE A 80 -0.459 3.306 -12.964 1.00 0.00 C ATOM 1273 CG1 ILE A 80 -0.986 1.987 -13.532 1.00 0.00 C ATOM 1274 CG2 ILE A 80 0.227 4.120 -14.051 1.00 0.00 C ATOM 1275 CD1 ILE A 80 -2.249 1.500 -12.857 1.00 0.00 C ATOM 0 H ILE A 80 -1.156 2.675 -10.586 1.00 0.00 H new ATOM 0 HA ILE A 80 1.271 2.324 -12.129 1.00 0.00 H new ATOM 0 HB ILE A 80 -1.304 3.881 -12.585 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -1.178 2.111 -14.598 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -0.214 1.224 -13.434 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -0.473 4.302 -14.866 1.00 0.00 H new ATOM 0 HG22 ILE A 80 0.558 5.073 -13.638 1.00 0.00 H new ATOM 0 HG23 ILE A 80 1.088 3.569 -14.429 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -2.565 0.561 -13.311 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -2.057 1.344 -11.795 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -3.036 2.244 -12.978 1.00 0.00 H new ATOM 1287 N THR A 81 2.505 4.294 -11.219 1.00 0.00 N ATOM 1288 CA THR A 81 3.270 5.475 -10.839 1.00 0.00 C ATOM 1289 C THR A 81 4.235 5.884 -11.946 1.00 0.00 C ATOM 1290 O THR A 81 4.402 5.168 -12.933 1.00 0.00 O ATOM 1291 CB THR A 81 4.066 5.235 -9.542 1.00 0.00 C ATOM 1292 OG1 THR A 81 4.934 4.107 -9.701 1.00 0.00 O ATOM 1293 CG2 THR A 81 3.129 4.998 -8.368 1.00 0.00 C ATOM 0 H THR A 81 3.063 3.447 -11.325 1.00 0.00 H new ATOM 0 HA THR A 81 2.551 6.277 -10.672 1.00 0.00 H new ATOM 0 HB THR A 81 4.661 6.125 -9.338 1.00 0.00 H new ATOM 0 HG1 THR A 81 4.853 3.758 -10.613 1.00 0.00 H new ATOM 0 HG21 THR A 81 3.714 4.831 -7.464 1.00 0.00 H new ATOM 0 HG22 THR A 81 2.490 5.870 -8.231 1.00 0.00 H new ATOM 0 HG23 THR A 81 2.511 4.123 -8.567 1.00 0.00 H new ATOM 1301 N ASP A 82 4.869 7.039 -11.774 1.00 0.00 N ATOM 1302 CA ASP A 82 5.820 7.543 -12.759 1.00 0.00 C ATOM 1303 C ASP A 82 7.031 6.622 -12.865 1.00 0.00 C ATOM 1304 O ASP A 82 7.405 6.193 -13.957 1.00 0.00 O ATOM 1305 CB ASP A 82 6.269 8.957 -12.387 1.00 0.00 C ATOM 1306 CG ASP A 82 5.379 10.025 -12.992 1.00 0.00 C ATOM 1307 OD1 ASP A 82 4.184 10.075 -12.632 1.00 0.00 O ATOM 1308 OD2 ASP A 82 5.877 10.810 -13.827 1.00 0.00 O ATOM 0 H ASP A 82 4.742 7.644 -10.962 1.00 0.00 H new ATOM 0 HA ASP A 82 5.322 7.571 -13.728 1.00 0.00 H new ATOM 0 HB2 ASP A 82 6.270 9.061 -11.302 1.00 0.00 H new ATOM 0 HB3 ASP A 82 7.295 9.110 -12.723 1.00 0.00 H new ATOM 1313 N THR A 83 7.643 6.323 -11.723 1.00 0.00 N ATOM 1314 CA THR A 83 8.814 5.455 -11.687 1.00 0.00 C ATOM 1315 C THR A 83 8.555 4.152 -12.435 1.00 0.00 C ATOM 1316 O THR A 83 9.217 3.854 -13.428 1.00 0.00 O ATOM 1317 CB THR A 83 9.228 5.130 -10.240 1.00 0.00 C ATOM 1318 OG1 THR A 83 10.135 4.022 -10.227 1.00 0.00 O ATOM 1319 CG2 THR A 83 8.010 4.805 -9.388 1.00 0.00 C ATOM 0 H THR A 83 7.347 6.669 -10.810 1.00 0.00 H new ATOM 0 HA THR A 83 9.624 5.996 -12.175 1.00 0.00 H new ATOM 0 HB THR A 83 9.721 6.007 -9.821 1.00 0.00 H new ATOM 0 HG1 THR A 83 10.395 3.823 -9.303 1.00 0.00 H new ATOM 0 HG21 THR A 83 8.328 4.579 -8.370 1.00 0.00 H new ATOM 0 HG22 THR A 83 7.336 5.661 -9.376 1.00 0.00 H new ATOM 0 HG23 THR A 83 7.493 3.942 -9.807 1.00 0.00 H new ATOM 1327 N MET A 84 7.588 3.380 -11.951 1.00 0.00 N ATOM 1328 CA MET A 84 7.241 2.109 -12.576 1.00 0.00 C ATOM 1329 C MET A 84 5.880 1.619 -12.092 1.00 0.00 C ATOM 1330 O MET A 84 5.310 2.168 -11.150 1.00 0.00 O ATOM 1331 CB MET A 84 8.312 1.058 -12.273 1.00 0.00 C ATOM 1332 CG MET A 84 8.496 0.789 -10.789 1.00 0.00 C ATOM 1333 SD MET A 84 10.180 0.296 -10.376 1.00 0.00 S ATOM 1334 CE MET A 84 10.408 -1.092 -11.484 1.00 0.00 C ATOM 0 H MET A 84 7.031 3.612 -11.129 1.00 0.00 H new ATOM 0 HA MET A 84 7.189 2.265 -13.654 1.00 0.00 H new ATOM 0 HB2 MET A 84 8.047 0.126 -12.773 1.00 0.00 H new ATOM 0 HB3 MET A 84 9.262 1.387 -12.695 1.00 0.00 H new ATOM 0 HG2 MET A 84 8.236 1.685 -10.226 1.00 0.00 H new ATOM 0 HG3 MET A 84 7.805 0.005 -10.477 1.00 0.00 H new ATOM 0 HE1 MET A 84 11.011 -1.855 -10.992 1.00 0.00 H new ATOM 0 HE2 MET A 84 9.437 -1.511 -11.747 1.00 0.00 H new ATOM 0 HE3 MET A 84 10.915 -0.756 -12.389 1.00 0.00 H new ATOM 1344 N VAL A 85 5.364 0.581 -12.744 1.00 0.00 N ATOM 1345 CA VAL A 85 4.070 0.017 -12.379 1.00 0.00 C ATOM 1346 C VAL A 85 4.225 -1.085 -11.337 1.00 0.00 C ATOM 1347 O VAL A 85 4.954 -2.055 -11.547 1.00 0.00 O ATOM 1348 CB VAL A 85 3.340 -0.554 -13.610 1.00 0.00 C ATOM 1349 CG1 VAL A 85 2.036 -1.219 -13.196 1.00 0.00 C ATOM 1350 CG2 VAL A 85 3.088 0.541 -14.635 1.00 0.00 C ATOM 0 H VAL A 85 5.822 0.114 -13.527 1.00 0.00 H new ATOM 0 HA VAL A 85 3.477 0.829 -11.958 1.00 0.00 H new ATOM 0 HB VAL A 85 3.976 -1.311 -14.070 1.00 0.00 H new ATOM 0 HG11 VAL A 85 1.534 -1.616 -14.078 1.00 0.00 H new ATOM 0 HG12 VAL A 85 2.247 -2.032 -12.501 1.00 0.00 H new ATOM 0 HG13 VAL A 85 1.391 -0.486 -12.711 1.00 0.00 H new ATOM 0 HG21 VAL A 85 2.572 0.120 -15.498 1.00 0.00 H new ATOM 0 HG22 VAL A 85 2.472 1.322 -14.189 1.00 0.00 H new ATOM 0 HG23 VAL A 85 4.039 0.967 -14.954 1.00 0.00 H new ATOM 1360 N TYR A 86 3.534 -0.931 -10.214 1.00 0.00 N ATOM 1361 CA TYR A 86 3.596 -1.912 -9.137 1.00 0.00 C ATOM 1362 C TYR A 86 2.300 -2.714 -9.055 1.00 0.00 C ATOM 1363 O TYR A 86 1.248 -2.263 -9.509 1.00 0.00 O ATOM 1364 CB TYR A 86 3.864 -1.217 -7.800 1.00 0.00 C ATOM 1365 CG TYR A 86 5.107 -0.357 -7.804 1.00 0.00 C ATOM 1366 CD1 TYR A 86 6.353 -0.904 -8.084 1.00 0.00 C ATOM 1367 CD2 TYR A 86 5.036 1.002 -7.526 1.00 0.00 C ATOM 1368 CE1 TYR A 86 7.492 -0.122 -8.088 1.00 0.00 C ATOM 1369 CE2 TYR A 86 6.169 1.792 -7.529 1.00 0.00 C ATOM 1370 CZ TYR A 86 7.395 1.226 -7.810 1.00 0.00 C ATOM 1371 OH TYR A 86 8.526 2.009 -7.813 1.00 0.00 O ATOM 0 H TYR A 86 2.924 -0.136 -10.025 1.00 0.00 H new ATOM 0 HA TYR A 86 4.414 -2.599 -9.353 1.00 0.00 H new ATOM 0 HB2 TYR A 86 3.005 -0.598 -7.543 1.00 0.00 H new ATOM 0 HB3 TYR A 86 3.957 -1.972 -7.020 1.00 0.00 H new ATOM 0 HD1 TYR A 86 6.433 -1.959 -8.302 1.00 0.00 H new ATOM 0 HD2 TYR A 86 4.078 1.449 -7.304 1.00 0.00 H new ATOM 0 HE1 TYR A 86 8.453 -0.563 -8.308 1.00 0.00 H new ATOM 0 HE2 TYR A 86 6.095 2.847 -7.312 1.00 0.00 H new ATOM 0 HH TYR A 86 9.233 1.561 -8.323 1.00 0.00 H new ATOM 1381 N PHE A 87 2.386 -3.905 -8.473 1.00 0.00 N ATOM 1382 CA PHE A 87 1.221 -4.772 -8.331 1.00 0.00 C ATOM 1383 C PHE A 87 1.089 -5.274 -6.896 1.00 0.00 C ATOM 1384 O PHE A 87 1.960 -5.981 -6.391 1.00 0.00 O ATOM 1385 CB PHE A 87 1.323 -5.959 -9.291 1.00 0.00 C ATOM 1386 CG PHE A 87 1.518 -5.555 -10.725 1.00 0.00 C ATOM 1387 CD1 PHE A 87 2.656 -4.868 -11.116 1.00 0.00 C ATOM 1388 CD2 PHE A 87 0.564 -5.863 -11.681 1.00 0.00 C ATOM 1389 CE1 PHE A 87 2.838 -4.495 -12.434 1.00 0.00 C ATOM 1390 CE2 PHE A 87 0.740 -5.493 -13.001 1.00 0.00 C ATOM 1391 CZ PHE A 87 1.879 -4.809 -13.378 1.00 0.00 C ATOM 0 H PHE A 87 3.249 -4.292 -8.092 1.00 0.00 H new ATOM 0 HA PHE A 87 0.333 -4.190 -8.577 1.00 0.00 H new ATOM 0 HB2 PHE A 87 2.154 -6.594 -8.984 1.00 0.00 H new ATOM 0 HB3 PHE A 87 0.417 -6.560 -9.211 1.00 0.00 H new ATOM 0 HD1 PHE A 87 3.409 -4.621 -10.382 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -0.328 -6.399 -11.391 1.00 0.00 H new ATOM 0 HE1 PHE A 87 3.729 -3.959 -12.726 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -0.012 -5.738 -13.736 1.00 0.00 H new ATOM 0 HZ PHE A 87 2.020 -4.520 -14.409 1.00 0.00 H new ATOM 1401 N VAL A 88 -0.008 -4.901 -6.244 1.00 0.00 N ATOM 1402 CA VAL A 88 -0.257 -5.313 -4.868 1.00 0.00 C ATOM 1403 C VAL A 88 -1.561 -6.096 -4.755 1.00 0.00 C ATOM 1404 O VAL A 88 -2.516 -5.838 -5.485 1.00 0.00 O ATOM 1405 CB VAL A 88 -0.315 -4.100 -3.921 1.00 0.00 C ATOM 1406 CG1 VAL A 88 -0.454 -4.556 -2.476 1.00 0.00 C ATOM 1407 CG2 VAL A 88 0.918 -3.228 -4.097 1.00 0.00 C ATOM 0 H VAL A 88 -0.738 -4.314 -6.647 1.00 0.00 H new ATOM 0 HA VAL A 88 0.574 -5.954 -4.575 1.00 0.00 H new ATOM 0 HB VAL A 88 -1.192 -3.505 -4.175 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -0.493 -3.685 -1.822 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -1.370 -5.136 -2.364 1.00 0.00 H new ATOM 0 HG13 VAL A 88 0.402 -5.174 -2.206 1.00 0.00 H new ATOM 0 HG21 VAL A 88 0.860 -2.376 -3.420 1.00 0.00 H new ATOM 0 HG22 VAL A 88 1.811 -3.811 -3.871 1.00 0.00 H new ATOM 0 HG23 VAL A 88 0.968 -2.872 -5.126 1.00 0.00 H new ATOM 1417 N GLY A 89 -1.592 -7.053 -3.833 1.00 0.00 N ATOM 1418 CA GLY A 89 -2.784 -7.859 -3.641 1.00 0.00 C ATOM 1419 C GLY A 89 -2.589 -9.296 -4.081 1.00 0.00 C ATOM 1420 O GLY A 89 -2.928 -9.658 -5.207 1.00 0.00 O ATOM 0 H GLY A 89 -0.814 -7.285 -3.216 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -3.066 -7.840 -2.588 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -3.610 -7.420 -4.201 1.00 0.00 H new ATOM 1424 N GLU A 90 -2.040 -10.117 -3.191 1.00 0.00 N ATOM 1425 CA GLU A 90 -1.799 -11.522 -3.496 1.00 0.00 C ATOM 1426 C GLU A 90 -2.990 -12.381 -3.082 1.00 0.00 C ATOM 1427 O GLU A 90 -3.510 -12.247 -1.975 1.00 0.00 O ATOM 1428 CB GLU A 90 -0.533 -12.011 -2.789 1.00 0.00 C ATOM 1429 CG GLU A 90 -0.437 -13.524 -2.689 1.00 0.00 C ATOM 1430 CD GLU A 90 -1.056 -14.065 -1.414 1.00 0.00 C ATOM 1431 OE1 GLU A 90 -2.294 -14.225 -1.378 1.00 0.00 O ATOM 1432 OE2 GLU A 90 -0.303 -14.327 -0.453 1.00 0.00 O ATOM 0 H GLU A 90 -1.754 -9.833 -2.254 1.00 0.00 H new ATOM 0 HA GLU A 90 -1.663 -11.615 -4.574 1.00 0.00 H new ATOM 0 HB2 GLU A 90 0.339 -11.635 -3.323 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -0.500 -11.586 -1.786 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -0.934 -13.973 -3.549 1.00 0.00 H new ATOM 0 HG3 GLU A 90 0.611 -13.822 -2.735 1.00 0.00 H new ATOM 1439 N ASN A 91 -3.417 -13.264 -3.980 1.00 0.00 N ATOM 1440 CA ASN A 91 -4.547 -14.144 -3.708 1.00 0.00 C ATOM 1441 C ASN A 91 -4.177 -15.601 -3.972 1.00 0.00 C ATOM 1442 O ASN A 91 -3.455 -15.907 -4.919 1.00 0.00 O ATOM 1443 CB ASN A 91 -5.748 -13.747 -4.570 1.00 0.00 C ATOM 1444 CG ASN A 91 -6.971 -14.596 -4.283 1.00 0.00 C ATOM 1445 OD1 ASN A 91 -7.184 -15.632 -4.914 1.00 0.00 O ATOM 1446 ND2 ASN A 91 -7.783 -14.159 -3.327 1.00 0.00 N ATOM 0 H ASN A 91 -2.997 -13.388 -4.901 1.00 0.00 H new ATOM 0 HA ASN A 91 -4.813 -14.040 -2.656 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -5.988 -12.698 -4.394 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -5.483 -13.841 -5.623 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -8.623 -14.688 -3.090 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -7.567 -13.295 -2.830 1.00 0.00 H new ATOM 1646 N GLY A 107 -4.484 -12.653 1.105 1.00 0.00 N ATOM 1647 CA GLY A 107 -5.846 -12.802 0.625 1.00 0.00 C ATOM 1648 C GLY A 107 -6.327 -11.585 -0.140 1.00 0.00 C ATOM 1649 O GLY A 107 -5.689 -10.532 -0.112 1.00 0.00 O ATOM 0 HA2 GLY A 107 -5.907 -13.680 -0.019 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -6.509 -12.981 1.472 1.00 0.00 H new ATOM 1653 N LEU A 108 -7.454 -11.729 -0.828 1.00 0.00 N ATOM 1654 CA LEU A 108 -8.020 -10.634 -1.608 1.00 0.00 C ATOM 1655 C LEU A 108 -8.846 -9.706 -0.722 1.00 0.00 C ATOM 1656 O LEU A 108 -8.754 -8.483 -0.831 1.00 0.00 O ATOM 1657 CB LEU A 108 -8.888 -11.183 -2.741 1.00 0.00 C ATOM 1658 CG LEU A 108 -9.750 -10.160 -3.483 1.00 0.00 C ATOM 1659 CD1 LEU A 108 -8.989 -9.578 -4.664 1.00 0.00 C ATOM 1660 CD2 LEU A 108 -11.052 -10.796 -3.946 1.00 0.00 C ATOM 0 H LEU A 108 -7.994 -12.594 -0.862 1.00 0.00 H new ATOM 0 HA LEU A 108 -7.197 -10.061 -2.036 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -8.237 -11.673 -3.465 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -9.544 -11.951 -2.330 1.00 0.00 H new ATOM 0 HG LEU A 108 -9.990 -9.348 -2.796 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -9.618 -8.852 -5.180 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -8.084 -9.086 -4.307 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -8.719 -10.378 -5.353 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -11.653 -10.054 -4.472 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -10.833 -11.627 -4.617 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -11.605 -11.164 -3.082 1.00 0.00 H new ATOM 1672 N ASP A 109 -9.652 -10.296 0.154 1.00 0.00 N ATOM 1673 CA ASP A 109 -10.492 -9.523 1.061 1.00 0.00 C ATOM 1674 C ASP A 109 -9.692 -8.406 1.724 1.00 0.00 C ATOM 1675 O ASP A 109 -10.092 -7.242 1.699 1.00 0.00 O ATOM 1676 CB ASP A 109 -11.100 -10.434 2.128 1.00 0.00 C ATOM 1677 CG ASP A 109 -11.637 -11.728 1.548 1.00 0.00 C ATOM 1678 OD1 ASP A 109 -12.453 -11.662 0.605 1.00 0.00 O ATOM 1679 OD2 ASP A 109 -11.239 -12.806 2.036 1.00 0.00 O ATOM 0 H ASP A 109 -9.741 -11.307 0.255 1.00 0.00 H new ATOM 0 HA ASP A 109 -11.295 -9.073 0.478 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -10.345 -10.662 2.880 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -11.906 -9.905 2.636 1.00 0.00 H new ATOM 1684 N VAL A 110 -8.560 -8.768 2.318 1.00 0.00 N ATOM 1685 CA VAL A 110 -7.703 -7.797 2.988 1.00 0.00 C ATOM 1686 C VAL A 110 -7.219 -6.727 2.015 1.00 0.00 C ATOM 1687 O VAL A 110 -7.187 -5.542 2.346 1.00 0.00 O ATOM 1688 CB VAL A 110 -6.482 -8.477 3.634 1.00 0.00 C ATOM 1689 CG1 VAL A 110 -5.641 -9.180 2.579 1.00 0.00 C ATOM 1690 CG2 VAL A 110 -5.649 -7.460 4.400 1.00 0.00 C ATOM 0 H VAL A 110 -8.215 -9.727 2.349 1.00 0.00 H new ATOM 0 HA VAL A 110 -8.304 -7.330 3.768 1.00 0.00 H new ATOM 0 HB VAL A 110 -6.838 -9.227 4.340 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -4.783 -9.655 3.055 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -6.244 -9.938 2.079 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -5.293 -8.452 1.846 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -4.790 -7.958 4.850 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -5.302 -6.685 3.716 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -6.257 -7.007 5.183 1.00 0.00 H new ATOM 1700 N ALA A 111 -6.845 -7.154 0.814 1.00 0.00 N ATOM 1701 CA ALA A 111 -6.366 -6.232 -0.209 1.00 0.00 C ATOM 1702 C ALA A 111 -7.428 -5.195 -0.555 1.00 0.00 C ATOM 1703 O ALA A 111 -7.161 -3.994 -0.549 1.00 0.00 O ATOM 1704 CB ALA A 111 -5.947 -6.998 -1.455 1.00 0.00 C ATOM 0 H ALA A 111 -6.864 -8.132 0.525 1.00 0.00 H new ATOM 0 HA ALA A 111 -5.499 -5.705 0.189 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -5.592 -6.297 -2.211 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -5.148 -7.695 -1.202 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -6.801 -7.551 -1.846 1.00 0.00 H new ATOM 1710 N GLN A 112 -8.634 -5.668 -0.857 1.00 0.00 N ATOM 1711 CA GLN A 112 -9.736 -4.780 -1.207 1.00 0.00 C ATOM 1712 C GLN A 112 -9.731 -3.533 -0.329 1.00 0.00 C ATOM 1713 O GLN A 112 -9.917 -2.418 -0.816 1.00 0.00 O ATOM 1714 CB GLN A 112 -11.072 -5.511 -1.067 1.00 0.00 C ATOM 1715 CG GLN A 112 -11.209 -6.710 -1.991 1.00 0.00 C ATOM 1716 CD GLN A 112 -12.639 -7.203 -2.100 1.00 0.00 C ATOM 1717 OE1 GLN A 112 -13.485 -6.875 -1.268 1.00 0.00 O ATOM 1718 NE2 GLN A 112 -12.915 -7.994 -3.130 1.00 0.00 N ATOM 0 H GLN A 112 -8.872 -6.660 -0.866 1.00 0.00 H new ATOM 0 HA GLN A 112 -9.605 -4.472 -2.244 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -11.189 -5.843 -0.035 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -11.883 -4.811 -1.271 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -10.844 -6.443 -2.983 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -10.577 -7.519 -1.626 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -12.182 -8.240 -3.795 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -13.860 -8.356 -3.256 1.00 0.00 H new ATOM 1727 N SER A 113 -9.517 -3.729 0.968 1.00 0.00 N ATOM 1728 CA SER A 113 -9.492 -2.621 1.915 1.00 0.00 C ATOM 1729 C SER A 113 -8.386 -1.630 1.563 1.00 0.00 C ATOM 1730 O SER A 113 -8.644 -0.444 1.358 1.00 0.00 O ATOM 1731 CB SER A 113 -9.289 -3.144 3.339 1.00 0.00 C ATOM 1732 OG SER A 113 -10.471 -3.747 3.834 1.00 0.00 O ATOM 0 H SER A 113 -9.358 -4.645 1.387 1.00 0.00 H new ATOM 0 HA SER A 113 -10.450 -2.105 1.858 1.00 0.00 H new ATOM 0 HB2 SER A 113 -8.475 -3.869 3.351 1.00 0.00 H new ATOM 0 HB3 SER A 113 -8.995 -2.323 3.993 1.00 0.00 H new ATOM 0 HG SER A 113 -10.315 -4.074 4.744 1.00 0.00 H new ATOM 1738 N TRP A 114 -7.156 -2.126 1.495 1.00 0.00 N ATOM 1739 CA TRP A 114 -6.011 -1.285 1.167 1.00 0.00 C ATOM 1740 C TRP A 114 -6.261 -0.499 -0.115 1.00 0.00 C ATOM 1741 O TRP A 114 -6.016 0.705 -0.172 1.00 0.00 O ATOM 1742 CB TRP A 114 -4.750 -2.139 1.019 1.00 0.00 C ATOM 1743 CG TRP A 114 -4.063 -2.415 2.322 1.00 0.00 C ATOM 1744 CD1 TRP A 114 -4.305 -3.457 3.171 1.00 0.00 C ATOM 1745 CD2 TRP A 114 -3.023 -1.638 2.924 1.00 0.00 C ATOM 1746 NE1 TRP A 114 -3.478 -3.373 4.265 1.00 0.00 N ATOM 1747 CE2 TRP A 114 -2.681 -2.267 4.137 1.00 0.00 C ATOM 1748 CE3 TRP A 114 -2.345 -0.473 2.555 1.00 0.00 C ATOM 1749 CZ2 TRP A 114 -1.693 -1.768 4.982 1.00 0.00 C ATOM 1750 CZ3 TRP A 114 -1.365 0.022 3.395 1.00 0.00 C ATOM 1751 CH2 TRP A 114 -1.046 -0.625 4.596 1.00 0.00 C ATOM 0 H TRP A 114 -6.926 -3.106 1.662 1.00 0.00 H new ATOM 0 HA TRP A 114 -5.868 -0.576 1.983 1.00 0.00 H new ATOM 0 HB2 TRP A 114 -5.014 -3.086 0.548 1.00 0.00 H new ATOM 0 HB3 TRP A 114 -4.054 -1.633 0.350 1.00 0.00 H new ATOM 0 HD1 TRP A 114 -5.038 -4.233 3.007 1.00 0.00 H new ATOM 0 HE1 TRP A 114 -3.461 -4.029 5.046 1.00 0.00 H new ATOM 0 HE3 TRP A 114 -2.582 0.032 1.630 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 -1.446 -2.265 5.909 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 -0.836 0.923 3.121 1.00 0.00 H new ATOM 0 HH2 TRP A 114 -0.274 -0.214 5.230 1.00 0.00 H new ATOM 1762 N GLU A 115 -6.751 -1.189 -1.140 1.00 0.00 N ATOM 1763 CA GLU A 115 -7.033 -0.553 -2.422 1.00 0.00 C ATOM 1764 C GLU A 115 -7.948 0.655 -2.240 1.00 0.00 C ATOM 1765 O GLU A 115 -7.701 1.725 -2.797 1.00 0.00 O ATOM 1766 CB GLU A 115 -7.678 -1.555 -3.382 1.00 0.00 C ATOM 1767 CG GLU A 115 -8.063 -0.952 -4.723 1.00 0.00 C ATOM 1768 CD GLU A 115 -9.114 -1.768 -5.450 1.00 0.00 C ATOM 1769 OE1 GLU A 115 -8.742 -2.761 -6.110 1.00 0.00 O ATOM 1770 OE2 GLU A 115 -10.308 -1.415 -5.358 1.00 0.00 O ATOM 0 H GLU A 115 -6.961 -2.187 -1.108 1.00 0.00 H new ATOM 0 HA GLU A 115 -6.088 -0.211 -2.845 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -6.987 -2.381 -3.550 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -8.568 -1.974 -2.913 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -8.437 0.060 -4.568 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -7.174 -0.871 -5.349 1.00 0.00 H new ATOM 1777 N LYS A 116 -9.006 0.476 -1.458 1.00 0.00 N ATOM 1778 CA LYS A 116 -9.959 1.550 -1.200 1.00 0.00 C ATOM 1779 C LYS A 116 -9.282 2.719 -0.493 1.00 0.00 C ATOM 1780 O LYS A 116 -9.462 3.875 -0.875 1.00 0.00 O ATOM 1781 CB LYS A 116 -11.124 1.033 -0.354 1.00 0.00 C ATOM 1782 CG LYS A 116 -12.118 0.192 -1.136 1.00 0.00 C ATOM 1783 CD LYS A 116 -13.149 1.058 -1.840 1.00 0.00 C ATOM 1784 CE LYS A 116 -14.342 1.347 -0.941 1.00 0.00 C ATOM 1785 NZ LYS A 116 -15.185 0.137 -0.732 1.00 0.00 N ATOM 0 H LYS A 116 -9.226 -0.404 -0.991 1.00 0.00 H new ATOM 0 HA LYS A 116 -10.342 1.901 -2.158 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -10.728 0.440 0.470 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -11.647 1.882 0.087 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -11.586 -0.412 -1.871 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -12.622 -0.499 -0.460 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -12.688 1.997 -2.148 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -13.488 0.557 -2.747 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -13.990 1.715 0.023 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -14.947 2.139 -1.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -16.134 0.425 -0.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -15.261 -0.391 -1.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -14.749 -0.469 -0.008 1.00 0.00 H new ATOM 1799 N ALA A 117 -8.502 2.411 0.538 1.00 0.00 N ATOM 1800 CA ALA A 117 -7.796 3.436 1.296 1.00 0.00 C ATOM 1801 C ALA A 117 -6.818 4.199 0.408 1.00 0.00 C ATOM 1802 O ALA A 117 -6.987 5.394 0.167 1.00 0.00 O ATOM 1803 CB ALA A 117 -7.065 2.812 2.475 1.00 0.00 C ATOM 0 H ALA A 117 -8.343 1.459 0.867 1.00 0.00 H new ATOM 0 HA ALA A 117 -8.532 4.145 1.674 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -6.542 3.590 3.032 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -7.784 2.318 3.129 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -6.344 2.080 2.110 1.00 0.00 H new ATOM 1809 N ILE A 118 -5.796 3.500 -0.074 1.00 0.00 N ATOM 1810 CA ILE A 118 -4.791 4.112 -0.935 1.00 0.00 C ATOM 1811 C ILE A 118 -5.441 4.990 -1.999 1.00 0.00 C ATOM 1812 O ILE A 118 -4.936 6.065 -2.324 1.00 0.00 O ATOM 1813 CB ILE A 118 -3.919 3.048 -1.626 1.00 0.00 C ATOM 1814 CG1 ILE A 118 -3.180 2.207 -0.583 1.00 0.00 C ATOM 1815 CG2 ILE A 118 -2.932 3.708 -2.578 1.00 0.00 C ATOM 1816 CD1 ILE A 118 -2.525 0.970 -1.158 1.00 0.00 C ATOM 0 H ILE A 118 -5.642 2.510 0.117 1.00 0.00 H new ATOM 0 HA ILE A 118 -4.159 4.728 -0.295 1.00 0.00 H new ATOM 0 HB ILE A 118 -4.566 2.389 -2.205 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -2.418 2.823 -0.105 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -3.883 1.908 0.195 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -2.323 2.943 -3.059 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -3.478 4.267 -3.338 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -2.287 4.387 -2.020 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -2.020 0.422 -0.362 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -3.285 0.333 -1.611 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -1.798 1.262 -1.916 1.00 0.00 H new ATOM 1828 N ARG A 119 -6.564 4.527 -2.536 1.00 0.00 N ATOM 1829 CA ARG A 119 -7.284 5.271 -3.563 1.00 0.00 C ATOM 1830 C ARG A 119 -7.952 6.507 -2.971 1.00 0.00 C ATOM 1831 O ARG A 119 -7.887 7.594 -3.544 1.00 0.00 O ATOM 1832 CB ARG A 119 -8.334 4.379 -4.228 1.00 0.00 C ATOM 1833 CG ARG A 119 -9.100 5.068 -5.344 1.00 0.00 C ATOM 1834 CD ARG A 119 -10.495 4.484 -5.506 1.00 0.00 C ATOM 1835 NE ARG A 119 -11.410 5.423 -6.150 1.00 0.00 N ATOM 1836 CZ ARG A 119 -11.387 5.697 -7.449 1.00 0.00 C ATOM 1837 NH1 ARG A 119 -10.499 5.108 -8.239 1.00 0.00 N ATOM 1838 NH2 ARG A 119 -12.252 6.563 -7.961 1.00 0.00 N ATOM 0 H ARG A 119 -6.996 3.640 -2.277 1.00 0.00 H new ATOM 0 HA ARG A 119 -6.563 5.594 -4.314 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -7.843 3.492 -4.629 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -9.040 4.038 -3.471 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -9.173 6.135 -5.132 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -8.551 4.966 -6.280 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -10.439 3.570 -6.097 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -10.888 4.208 -4.528 1.00 0.00 H new ATOM 0 HE ARG A 119 -12.105 5.894 -5.570 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -9.832 4.443 -7.849 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -10.484 5.320 -9.237 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -12.935 7.019 -7.357 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -12.233 6.773 -8.959 1.00 0.00 H new ATOM 1852 N GLN A 120 -8.595 6.333 -1.820 1.00 0.00 N ATOM 1853 CA GLN A 120 -9.276 7.435 -1.151 1.00 0.00 C ATOM 1854 C GLN A 120 -8.292 8.539 -0.780 1.00 0.00 C ATOM 1855 O GLN A 120 -8.510 9.709 -1.092 1.00 0.00 O ATOM 1856 CB GLN A 120 -9.994 6.932 0.103 1.00 0.00 C ATOM 1857 CG GLN A 120 -11.243 7.726 0.448 1.00 0.00 C ATOM 1858 CD GLN A 120 -12.138 7.959 -0.754 1.00 0.00 C ATOM 1859 OE1 GLN A 120 -12.218 9.071 -1.276 1.00 0.00 O ATOM 1860 NE2 GLN A 120 -12.816 6.908 -1.199 1.00 0.00 N ATOM 0 H GLN A 120 -8.658 5.440 -1.332 1.00 0.00 H new ATOM 0 HA GLN A 120 -10.012 7.847 -1.842 1.00 0.00 H new ATOM 0 HB2 GLN A 120 -10.266 5.886 -0.039 1.00 0.00 H new ATOM 0 HB3 GLN A 120 -9.305 6.970 0.946 1.00 0.00 H new ATOM 0 HG2 GLN A 120 -11.805 7.196 1.217 1.00 0.00 H new ATOM 0 HG3 GLN A 120 -10.952 8.687 0.871 1.00 0.00 H new ATOM 0 HE21 GLN A 120 -12.719 6.005 -0.735 1.00 0.00 H new ATOM 0 HE22 GLN A 120 -13.434 7.004 -2.005 1.00 0.00 H new ATOM 1869 N ALA A 121 -7.208 8.158 -0.112 1.00 0.00 N ATOM 1870 CA ALA A 121 -6.189 9.115 0.300 1.00 0.00 C ATOM 1871 C ALA A 121 -5.955 10.167 -0.779 1.00 0.00 C ATOM 1872 O ALA A 121 -5.915 11.365 -0.495 1.00 0.00 O ATOM 1873 CB ALA A 121 -4.890 8.395 0.629 1.00 0.00 C ATOM 0 H ALA A 121 -7.013 7.193 0.155 1.00 0.00 H new ATOM 0 HA ALA A 121 -6.546 9.624 1.195 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -4.138 9.122 0.935 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -5.062 7.687 1.440 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -4.538 7.859 -0.252 1.00 0.00 H new ATOM 1879 N LEU A 122 -5.799 9.712 -2.018 1.00 0.00 N ATOM 1880 CA LEU A 122 -5.568 10.614 -3.141 1.00 0.00 C ATOM 1881 C LEU A 122 -6.583 11.752 -3.143 1.00 0.00 C ATOM 1882 O LEU A 122 -6.220 12.920 -3.279 1.00 0.00 O ATOM 1883 CB LEU A 122 -5.644 9.846 -4.461 1.00 0.00 C ATOM 1884 CG LEU A 122 -4.332 9.241 -4.963 1.00 0.00 C ATOM 1885 CD1 LEU A 122 -3.850 8.152 -4.017 1.00 0.00 C ATOM 1886 CD2 LEU A 122 -4.502 8.690 -6.371 1.00 0.00 C ATOM 0 H LEU A 122 -5.828 8.724 -2.270 1.00 0.00 H new ATOM 0 HA LEU A 122 -4.571 11.041 -3.033 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -6.372 9.042 -4.349 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -6.027 10.519 -5.228 1.00 0.00 H new ATOM 0 HG LEU A 122 -3.579 10.029 -4.992 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -2.916 7.733 -4.390 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -3.687 8.576 -3.026 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -4.601 7.365 -3.955 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -3.558 8.264 -6.711 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -5.270 7.916 -6.369 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -4.800 9.495 -7.043 1.00 0.00 H new